#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 2.09 2.68 3.03 0.00 -1.26 -5.14 105.19 106.58 1r3b n GLY 15 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 16 N 0.00 3.19 -0.55 1.61 0.15 -1.26 -5.09 113.70 111.76 1r3b s SER 16 Ca 0.00 -1.06 -0.10 0.00 0.70 0.00 0.00 55.95 55.49 1r3b s SER 16 Cb 0.00 -0.55 0.14 0.00 -1.71 0.00 0.00 66.02 63.90 1r3b s SER 16 CO 0.00 -0.36 0.43 -0.44 1.20 0.00 0.00 173.24 174.07 1r3b s SER 17 N 1.90 5.86 -0.04 5.45 0.01 -1.26 -5.04 113.70 120.58 1r3b s SER 17 Ca 0.04 -2.11 -0.08 0.00 1.31 0.00 0.00 55.95 55.11 1r3b s SER 17 Cb -0.17 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.03 1r3b s SER 17 CO -0.18 -0.66 0.19 -1.38 0.41 0.00 0.00 173.24 171.62 1r3b s HIS 18 N 1.07 -0.12 -0.20 2.43 0.00 -1.26 -5.16 115.29 112.05 1r3b s HIS 18 Ca 0.08 0.26 -0.27 0.00 -3.00 0.00 0.00 55.06 52.12 1r3b s HIS 18 Cb -0.24 0.03 0.09 0.00 -4.00 0.00 0.00 32.58 28.46 1r3b s HIS 18 CO -0.02 -0.21 0.79 -3.38 -1.00 0.00 0.00 174.74 170.93 1r3b s HIS 19 N -0.63 -0.65 -0.02 0.38 0.00 -1.26 -5.17 115.29 107.93 1r3b s HIS 19 Ca -0.07 1.42 -0.04 0.00 -3.00 0.00 0.00 55.06 53.37 1r3b s HIS 19 Cb -0.04 0.35 0.00 0.00 -4.00 0.00 0.00 32.58 28.89 1r3b s HIS 19 CO 0.01 -0.42 0.09 -3.38 -1.00 0.00 0.00 174.74 170.04 1r3b s HIS 20 N -0.27 -0.04 -0.26 0.38 0.00 -1.26 -5.16 115.29 108.68 1r3b s HIS 20 Ca -0.03 0.11 -0.22 0.00 -3.00 0.00 0.00 55.06 51.93 1r3b s HIS 20 Cb -0.03 -0.00 0.07 0.00 -4.00 0.00 0.00 32.58 28.62 1r3b s HIS 20 CO 0.02 -0.10 0.68 -3.38 -1.00 0.00 0.00 174.74 170.96 1r3b s HIS 21 N -0.33 -0.80 -0.28 0.38 0.00 -1.26 -5.17 115.29 107.83 1r3b s HIS 21 Ca -0.04 1.87 -0.19 0.00 -3.00 0.00 0.00 55.06 53.70 1r3b s HIS 21 Cb -0.03 0.32 0.12 0.00 -4.00 0.00 0.00 32.58 29.00 1r3b s HIS 21 CO 0.00 -0.39 0.93 -3.38 -1.00 0.00 0.00 174.74 170.90 1r3b s HIS 22 N 0.61 -0.64 -0.27 0.38 0.00 -1.26 -5.17 115.29 108.93 1r3b s HIS 22 Ca -0.02 1.37 -0.23 0.00 -3.00 0.00 0.00 55.06 53.18 1r3b s HIS 22 Cb -0.05 0.40 0.08 0.00 -4.00 0.00 0.00 32.58 29.00 1r3b s HIS 22 CO -0.03 -0.32 0.74 -1.58 -1.00 0.00 0.00 174.74 172.56 1r3b s HIS 23 N 0.99 -0.81 -0.22 0.38 5.65 -1.26 -5.15 115.29 114.87 1r3b s HIS 23 Ca -0.05 1.90 -0.02 0.00 0.25 0.00 0.00 55.06 57.14 1r3b s HIS 23 Cb -0.04 0.34 0.01 0.00 -1.18 0.00 0.00 32.58 31.71 1r3b s HIS 23 CO -0.12 -0.39 -0.10 0.45 -0.65 0.00 0.00 174.74 173.93 1r3b s SER 24 N 0.59 3.96 -0.02 9.88 0.15 -1.26 -5.10 113.70 121.90 1r3b s SER 24 Ca -0.02 -0.65 0.01 0.00 0.70 0.00 0.00 55.95 56.00 1r3b s SER 24 Cb -0.05 -1.63 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 1r3b s SER 24 CO -0.03 -0.05 -0.04 -0.94 1.20 0.00 0.00 173.24 173.37 1r3b s SER 25 N 1.36 0.68 0.00 5.45 1.04 -1.26 -5.09 113.70 115.88 1r3b s SER 25 Ca 0.03 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1r3b s SER 25 Cb -0.15 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1r3b s SER 25 CO -0.07 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1r3b n GLY 26 N 3.54 -0.35 2.73 7.32 0.00 -1.26 -5.13 105.19 112.03 1r3b n GLY 26 Ca -0.20 0.70 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 1r3b n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3b s LEU 27 N 0.00 2.32 -0.12 0.99 1.02 -1.26 -5.12 118.68 116.52 1r3b s LEU 27 Ca 0.00 -1.79 -0.13 0.00 0.02 0.00 0.00 54.13 52.23 1r3b s LEU 27 Cb 0.00 -0.89 -0.05 0.00 0.02 0.00 0.00 46.19 45.27 1r3b s LEU 27 CO 0.00 -0.39 0.29 0.54 0.02 0.00 0.00 176.35 176.80 1r3b s VAL 28 N 1.42 5.28 1.08 -1.59 0.11 -1.26 -5.08 120.40 120.37 1r3b s VAL 28 Ca 0.11 0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 59.54 1r3b s VAL 28 Cb -0.18 -3.60 0.11 0.00 -1.53 0.00 0.00 36.38 31.18 1r3b s VAL 28 CO -0.21 0.48 0.26 -2.65 -3.33 0.00 0.00 175.10 169.65 1r3b n PRO 29 N 2.88 -1.36 -3.52 1.54 -0.02 -1.26 -5.05 135.00 128.21 1r3b n PRO 29 Ca -0.14 -0.37 -0.15 0.00 -2.02 0.00 0.00 63.50 60.82 1r3b n PRO 29 Cb 0.53 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.14 1r3b n PRO 29 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r3b s ARG 30 N -3.64 0.99 0.00 -0.52 3.52 -1.26 -5.15 118.95 112.89 1r3b s ARG 30 Ca 0.58 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1r3b s ARG 30 Cb -0.16 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 1r3b s ARG 30 CO 0.66 -0.34 0.00 0.41 -0.81 0.00 0.00 175.30 175.22 1r3b n GLY 31 N 0.62 2.51 3.69 8.12 0.00 -1.26 -5.17 105.19 113.70 1r3b n GLY 31 Ca -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 46.02 44.55 1r3b n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 32 N 0.00 -0.21 -0.08 1.61 0.01 -1.26 -5.17 113.70 108.60 1r3b s SER 32 Ca 0.00 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1r3b s SER 32 Cb 0.00 0.45 0.08 0.00 0.21 0.00 0.00 66.02 66.76 1r3b s SER 32 CO 0.00 -0.81 0.73 0.00 0.41 0.00 0.00 173.24 173.57 1r3b s ALA 33 N -3.20 -1.80 -0.05 1.44 0.00 -1.26 -5.13 121.76 111.76 1r3b s ALA 33 Ca 0.11 1.40 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 1r3b s ALA 33 Cb -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1r3b s ALA 33 CO -0.00 -0.36 0.20 0.95 0.00 0.00 0.00 175.76 176.55 1r3b s THR 34 N -1.08 0.03 -0.09 0.00 -4.23 -1.26 -5.15 115.64 103.86 1r3b s THR 34 Ca -0.09 -0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1r3b s THR 34 Cb -0.00 -0.37 0.05 0.00 1.34 0.00 0.00 72.50 73.52 1r3b s THR 34 CO 0.08 -0.13 0.14 -0.22 -0.54 0.00 0.00 174.62 173.95 1r3b s LEU 35 N -0.44 0.00 0.00 4.79 1.98 -1.26 -5.13 118.68 118.62 1r3b s LEU 35 Ca -0.05 0.16 0.00 0.00 -2.89 0.00 0.00 54.13 51.34 1r3b s LEU 35 Cb -0.04 0.15 0.00 0.00 0.66 0.00 0.00 46.19 46.96 1r3b s LEU 35 CO 0.01 -0.26 0.00 0.61 -1.89 0.00 0.00 176.35 174.82 1r3b n GLY 36 N 5.32 4.09 2.08 7.98 0.00 -1.26 -5.10 105.19 118.29 1r3b n GLY 36 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1r3b n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3b n SER 37 N 0.00 -1.44 0.00 1.61 7.64 -1.26 -5.13 113.62 115.03 1r3b n SER 37 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1r3b n SER 37 Cb 0.00 1.54 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 1r3b n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r3b n GLY 38 N -0.45 0.51 2.84 0.23 0.00 -1.26 -4.87 105.19 102.18 1r3b n GLY 38 Ca 0.00 -2.22 -0.21 0.00 0.00 0.00 0.00 46.02 43.59 1r3b n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r3b n ASN 39 N 0.28 0.28 -0.01 1.61 4.13 -1.26 -4.92 115.26 115.37 1r3b n ASN 39 Ca 0.00 -1.46 -0.17 0.00 1.68 0.00 0.00 54.58 54.63 1r3b n ASN 39 Cb 0.00 -0.69 -0.10 0.00 -1.54 0.00 0.00 39.78 37.45 1r3b n ASN 39 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1r3b h LEU 40 N 0.00 0.55 -0.18 3.41 7.12 -1.98 -2.69 115.31 121.54 1r3b h LEU 40 Ca -0.30 -0.72 -0.03 0.00 0.13 0.00 0.00 57.88 56.95 1r3b h LEU 40 Cb 0.88 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 1r3b h LEU 40 CO 0.23 1.19 -0.01 0.03 -0.13 0.00 0.00 178.44 179.75 1r3b h ARG 41 N -0.05 0.32 0.00 1.25 3.08 -1.98 -2.66 114.38 114.33 1r3b h ARG 41 Ca -0.06 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1r3b h ARG 41 Cb 1.25 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1r3b h ARG 41 CO 0.11 0.55 0.00 1.96 -1.07 0.00 0.00 179.97 181.52 1r3b h GLN 42 N 0.06 0.00 0.00 0.04 4.20 -1.83 -1.31 115.11 116.27 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 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1r3b h GLN 42 CO 0.01 0.00 -0.37 0.00 -0.67 0.00 0.00 178.83 177.80 1r3b n ALA 43 N -2.08 2.67 0.00 3.87 0.00 -1.01 -3.77 120.51 120.19 1r3b n ALA 43 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1r3b n ALA 43 Cb 0.17 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.19 1r3b n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3b h VAL 44 N 0.00 1.05 -3.88 0.00 2.07 -1.02 -3.47 116.25 110.99 1r3b h VAL 44 Ca 0.00 -2.86 -0.28 0.00 0.82 0.00 0.00 66.70 64.38 1r3b h VAL 44 Cb 0.74 2.53 -0.26 0.00 -1.52 0.00 0.00 31.29 32.78 1r3b h VAL 44 CO 0.00 0.62 -0.74 -0.04 0.02 0.00 0.00 177.57 177.43 1r3b s MET 45 N -2.62 0.33 -0.04 1.57 1.00 -1.16 -4.91 119.30 113.47 1r3b s MET 45 Ca -0.04 -0.29 -0.28 0.00 0.00 0.00 0.00 55.69 55.08 1r3b s MET 45 Cb 0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 34.83 34.53 1r3b s MET 45 CO 0.82 0.06 0.78 1.28 0.00 0.00 0.00 175.02 177.96 1r3b n LEU 46 N 2.58 0.08 -4.55 -0.03 7.99 -1.26 -4.66 117.00 117.15 1r3b n LEU 46 Ca -0.15 0.80 -0.43 0.00 -0.01 0.00 0.00 56.01 56.22 1r3b n LEU 46 Cb 0.58 -0.63 -0.05 0.00 -0.11 0.00 0.00 43.42 43.20 1r3b n LEU 46 CO 0.24 -1.24 0.60 -2.16 -1.51 0.00 0.00 177.39 173.32 1r3b s PRO 47 N 0.22 3.49 -0.10 3.23 0.04 -1.26 -4.68 135.00 135.94 1r3b s PRO 47 Ca 0.64 0.01 -0.07 0.00 0.04 0.00 0.00 61.00 61.62 1r3b s PRO 47 Cb -0.89 -3.91 0.03 0.00 0.04 0.00 0.00 34.50 29.76 1r3b s PRO 47 CO 0.41 -1.09 0.14 -1.91 0.04 0.00 0.00 177.00 174.59 1r3b n GLU 48 N 6.75 -4.10 0.00 4.56 0.00 -1.26 -4.88 120.64 121.71 1r3b n GLU 48 Ca 0.03 3.08 0.00 0.00 0.00 0.00 0.00 57.16 60.27 1r3b n GLU 48 Cb 0.48 -4.18 0.00 0.00 0.00 0.00 0.00 31.44 27.74 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 1.89 -1.77 3.04 8.31 0.00 -1.26 -4.95 105.19 110.44 1r3b n GLY 49 Ca -0.24 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 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 -4.83 118.70 116.11 1r3b s GLU 50 Ca 0.00 0.72 0.00 0.00 0.02 0.00 0.00 54.97 55.71 1r3b s GLU 50 Cb 0.00 -0.04 0.14 0.00 0.10 0.00 0.00 34.13 34.34 1r3b s GLU 50 CO 0.00 -0.25 0.31 0.34 0.02 0.00 0.00 175.26 175.68 1r3b s ASP 51 N 2.15 1.56 0.04 -0.19 -1.08 -1.26 -5.05 116.67 112.83 1r3b s ASP 51 Ca -0.01 -0.96 -0.22 0.00 -0.52 0.00 0.00 52.55 50.84 1r3b s ASP 51 Cb -0.12 0.52 -0.12 0.00 -1.46 0.00 0.00 42.92 41.74 1r3b s ASP 51 CO -0.09 -0.36 1.32 0.25 0.52 0.00 0.00 175.17 176.82 1r3b h LEU 52 N 7.97 -0.68 -1.22 -1.34 7.12 -1.98 0.28 115.31 125.47 1r3b h LEU 52 Ca -0.09 0.03 0.31 0.00 0.13 0.00 0.00 57.88 58.26 1r3b h LEU 52 Cb 1.07 0.18 -0.12 0.00 -0.53 0.00 0.00 40.66 41.26 1r3b h LEU 52 CO 0.30 -0.46 0.66 -1.13 -0.13 0.00 0.00 178.44 177.68 1r3b h ASN 53 N -0.76 0.47 0.00 1.25 -0.73 -1.89 0.12 115.58 114.04 1r3b h ASN 53 Ca -0.08 0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.22 1r3b h ASN 53 Cb 0.59 0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.24 1r3b h ASN 53 CO 0.11 -0.01 -0.00 -0.08 -0.37 0.00 0.00 177.43 177.08 1r3b h GLU 54 N 0.36 -0.00 -0.53 6.67 4.81 -1.79 -2.91 114.58 121.19 1r3b h GLU 54 Ca 0.68 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 60.01 1r3b h GLU 54 Cb 1.68 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.98 1r3b h GLU 54 CO -0.43 0.75 0.05 2.35 -0.73 0.00 0.00 179.01 181.00 1r3b h TRP 55 N -0.75 0.05 -0.03 0.92 -0.00 0.13 0.51 115.95 116.78 1r3b h TRP 55 Ca -0.00 0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.95 1r3b h TRP 55 Cb 0.75 0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 29.94 1r3b h TRP 55 CO 0.19 -0.08 -0.12 0.82 -0.00 0.00 0.00 178.44 179.25 1r3b h ILE 56 N 0.17 0.69 -0.49 2.65 2.04 -0.94 0.23 117.51 121.85 1r3b h ILE 56 Ca 0.27 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.10 1r3b h ILE 56 Cb 0.41 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1r3b h ILE 56 CO -0.41 0.00 0.17 0.00 0.00 0.00 0.00 178.15 177.91 1r3b h ALA 57 N 0.80 1.38 0.00 1.87 0.00 -1.10 0.33 119.26 122.54 1r3b h ALA 57 Ca 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1r3b h ALA 57 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r3b h ALA 57 CO -0.14 0.46 -0.00 0.28 0.00 0.00 0.00 179.25 179.85 1r3b h VAL 58 N 0.71 1.28 0.00 0.00 2.07 0.75 -2.97 116.25 118.08 1r3b h VAL 58 Ca 0.17 -0.82 -0.15 0.00 0.82 0.00 0.00 66.70 66.72 1r3b h VAL 58 Cb 0.18 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1r3b h VAL 58 CO -0.01 0.21 -0.72 0.78 0.02 0.00 0.00 177.57 177.85 1r3b h ASN 59 N -0.35 0.00 0.48 0.57 2.35 -0.42 -2.73 115.58 115.48 1r3b h ASN 59 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1r3b h ASN 59 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1r3b h ASN 59 CO 0.00 0.72 -0.23 0.74 -1.65 0.00 0.00 177.43 177.01 1r3b h THR 60 N 0.00 0.52 -0.17 2.81 2.02 -0.37 0.92 112.91 118.64 1r3b h THR 60 Ca -0.01 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1r3b h THR 60 Cb 1.33 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1r3b h THR 60 CO 0.09 0.02 -0.11 0.58 0.37 0.00 0.00 175.52 176.48 1r3b h VAL 61 N -0.72 1.18 0.05 3.16 2.07 -1.61 -0.03 116.25 120.35 1r3b h VAL 61 Ca -0.07 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1r3b h VAL 61 Cb 0.53 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1r3b h VAL 61 CO 0.11 0.24 -0.02 0.44 0.02 0.00 0.00 177.57 178.36 1r3b h ASP 62 N 0.26 -0.06 0.26 0.57 5.19 -1.15 -2.34 116.42 119.15 1r3b h ASP 62 Ca 0.05 -0.45 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 1r3b h ASP 62 Cb 0.36 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 1r3b h ASP 62 CO 0.02 0.44 -0.14 -0.26 -3.12 0.00 0.00 179.24 176.17 1r3b h PHE 63 N -0.57 -0.37 -0.64 4.55 0.04 0.11 0.18 116.94 120.23 1r3b h PHE 63 Ca -0.01 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.92 1r3b h PHE 63 Cb 0.51 0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 1r3b h PHE 63 CO 0.09 -0.23 0.45 0.35 -0.60 0.00 0.00 178.31 178.37 1r3b h PHE 64 N -0.38 0.14 0.00 -0.55 3.04 -1.08 -0.62 116.94 117.49 1r3b h PHE 64 Ca -0.03 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1r3b h PHE 64 Cb 0.31 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1r3b h PHE 64 CO -0.07 0.05 -0.02 -0.97 -2.02 0.00 0.00 178.31 175.28 1r3b h ASN 65 N 0.12 0.01 -0.88 0.41 -1.24 -0.78 -2.34 115.58 110.89 1r3b h ASN 65 Ca 0.31 -0.90 0.11 0.00 0.71 0.00 0.00 56.30 56.52 1r3b h ASN 65 Cb 1.05 -0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.03 1r3b h ASN 65 CO -0.04 0.92 0.57 1.56 -1.29 0.00 0.00 177.43 179.15 1r3b h GLN 66 N -0.89 0.78 -0.03 6.67 4.20 0.09 0.57 115.11 126.50 1r3b h GLN 66 Ca -0.00 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.41 1r3b h GLN 66 Cb 0.92 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.54 1r3b h GLN 66 CO 0.00 0.52 -0.97 0.82 -0.67 0.00 0.00 178.83 178.53 1r3b h ILE 67 N 0.80 1.29 -0.22 2.54 2.04 -1.24 -2.77 117.51 119.95 1r3b h ILE 67 Ca 0.42 -2.21 -0.13 0.00 1.00 0.00 0.00 64.86 63.94 1r3b h ILE 67 Cb 0.51 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1r3b h ILE 67 CO -0.18 0.69 -0.39 -1.13 0.00 0.00 0.00 178.15 177.13 1r3b h ASN 68 N 0.40 0.53 -0.61 1.72 -1.24 -0.71 -2.49 115.58 113.18 1r3b h ASN 68 Ca -0.11 -0.23 -0.09 0.00 0.71 0.00 0.00 56.30 56.59 1r3b h ASN 68 Cb 1.62 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 40.50 1r3b h ASN 68 CO 0.19 0.87 0.04 0.24 -1.29 0.00 0.00 177.43 177.48 1r3b h MET 69 N 0.42 1.04 -0.56 6.67 2.86 0.08 -1.74 114.93 123.69 1r3b h MET 69 Ca 0.04 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 1r3b h MET 69 Cb 0.87 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 1r3b h MET 69 CO 0.07 1.00 0.06 -0.07 1.06 0.00 0.00 176.91 179.03 1r3b h LEU 70 N 0.94 0.88 -0.95 1.22 4.07 -1.35 -2.57 115.31 117.56 1r3b h LEU 70 Ca 0.18 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 1r3b h LEU 70 Cb 0.50 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1r3b h LEU 70 CO 0.02 0.91 -0.27 0.22 -1.08 0.00 0.00 178.44 178.24 1r3b h TYR 71 N 0.87 0.50 -0.56 1.13 5.03 -1.19 -2.92 116.97 119.83 1r3b h TYR 71 Ca 0.17 -0.11 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1r3b h TYR 71 Cb 0.43 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 1r3b h TYR 71 CO 0.03 0.68 0.22 0.78 -1.32 0.00 0.00 178.16 178.54 1r3b h GLY 72 N 1.03 0.87 2.00 1.82 0.00 -0.91 1.13 103.07 109.01 1r3b h GLY 72 Ca 0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1r3b h GLY 72 CO 0.05 0.42 -0.43 0.00 0.00 0.00 0.00 176.54 176.58 1r3b h THR 73 N 0.80 0.93 -0.01 4.70 1.03 -1.38 -3.15 112.91 115.84 1r3b h THR 73 Ca 0.19 -1.72 0.00 0.00 -0.01 0.00 0.00 66.41 64.87 1r3b h THR 73 Cb 0.17 2.05 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1r3b h THR 73 CO -0.02 0.42 -0.45 0.00 -0.01 0.00 0.00 175.52 175.46 1r3b n ILE 74 N -3.49 0.00 0.04 0.00 0.00 -0.88 -4.42 119.36 110.61 1r3b n ILE 74 Ca 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 62.75 62.54 1r3b n ILE 74 Cb 0.56 1.17 0.49 0.00 0.00 0.00 0.00 39.64 41.86 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 1.57 1.04 -0.14 9.51 1.03 0.14 0.27 112.91 126.33 1r3b h THR 75 Ca 0.00 -0.14 -0.08 0.00 -0.01 0.00 0.00 66.41 66.18 1r3b h THR 75 Cb 0.56 0.60 -0.01 0.00 -1.07 0.00 0.00 68.15 68.23 1r3b h THR 75 CO 0.00 0.07 -0.27 1.05 -0.01 0.00 0.00 175.52 176.36 1r3b h GLU 76 N 0.40 0.26 0.00 0.00 4.11 -1.77 -2.53 114.58 115.05 1r3b h GLU 76 Ca 0.14 -0.09 -0.13 0.00 0.07 0.00 0.00 59.36 59.35 1r3b h GLU 76 Cb 0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1r3b h GLU 76 CO -0.03 0.52 -0.74 0.74 0.07 0.00 0.00 179.01 179.57 1r3b h PHE 77 N 0.23 0.00 -2.19 2.06 0.04 -1.35 -3.45 116.94 112.28 1r3b h PHE 77 Ca 0.04 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.23 1r3b h PHE 77 Cb 0.61 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.78 1r3b h PHE 77 CO 0.01 0.57 1.15 0.00 -0.60 0.00 0.00 178.31 179.44 1r3b s THR 79 N 4.14 0.03 0.29 0.00 -4.23 -1.26 -4.99 115.64 109.61 1r3b s THR 79 Ca 0.90 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1r3b s THR 79 Cb -0.57 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1r3b s THR 79 CO 0.47 -0.12 0.00 -0.62 -0.54 0.00 0.00 174.62 173.81 1r3b n GLU 80 N -0.26 -2.25 0.05 3.99 1.02 -1.26 -4.17 120.64 117.75 1r3b n GLU 80 Ca -0.02 1.55 -0.02 0.00 -0.02 0.00 0.00 57.16 58.66 1r3b n GLU 80 Cb 0.64 -2.77 0.25 0.00 -0.02 0.00 0.00 31.44 29.55 1r3b n GLU 80 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1r3b h SER 81 N -1.11 0.39 -6.12 1.62 0.02 -2.04 -3.48 113.55 102.83 1r3b h SER 81 Ca -0.01 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1r3b h SER 81 Cb 1.26 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1r3b h SER 81 CO 0.02 0.63 -0.61 1.07 -1.14 0.00 0.00 176.83 176.79 1r3b n THR 82 N -4.15 -2.93 0.00 -2.27 5.66 -1.26 -3.08 114.28 106.25 1r3b n THR 82 Ca -0.00 0.52 0.00 0.00 -3.05 0.00 0.00 64.05 61.52 1r3b n THR 82 Cb 0.37 -3.27 0.00 0.00 -1.55 0.00 0.00 70.33 65.88 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r3b n SER 84 N 1.74 0.00 -4.35 0.00 2.88 -1.18 -4.86 113.62 107.85 1r3b n SER 84 Ca 0.00 0.00 -0.55 0.00 -1.33 0.00 0.00 58.87 56.99 1r3b n SER 84 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1r3b n SER 84 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1r3b n VAL 85 N 0.00 0.10 -2.71 2.46 0.24 -1.26 -4.67 118.33 112.48 1r3b n VAL 85 Ca 0.00 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.34 61.74 1r3b n VAL 85 Cb 0.00 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.23 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 6.11 3.38 -0.08 7.34 0.23 -1.26 -4.97 119.30 130.06 1r3b s MET 86 Ca 1.14 -0.99 0.00 0.00 -1.03 0.00 0.00 55.69 54.82 1r3b s MET 86 Cb -1.16 -4.71 0.02 0.00 -1.53 0.00 0.00 34.83 27.45 1r3b s MET 86 CO 0.57 -2.00 -0.06 -1.54 -2.03 0.00 0.00 175.02 169.95 1r3b s SER 87 N 4.08 1.63 -0.30 -1.18 1.04 -1.26 -0.48 113.70 117.22 1r3b s SER 87 Ca 0.35 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.51 1r3b s SER 87 Cb -0.07 -0.64 0.19 0.00 0.10 0.00 0.00 66.02 65.59 1r3b s SER 87 CO 0.01 -0.09 0.82 0.00 0.98 0.00 0.00 173.24 174.96 1r3b s ALA 88 N 1.33 -2.92 0.00 5.32 0.00 -1.24 -4.82 121.76 119.43 1r3b s ALA 88 Ca -0.03 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1r3b s ALA 88 Cb -0.14 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1r3b s ALA 88 CO -0.03 -1.50 0.00 0.41 0.00 0.00 0.00 175.76 174.64 1r3b n GLY 89 N 5.42 0.86 0.23 0.00 0.00 -1.26 -4.60 105.19 105.83 1r3b n GLY 89 Ca -0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 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 0.76 0.00 1.61 0.13 -2.04 -3.46 132.00 129.01 1r3b h PRO 90 Ca 0.00 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1r3b h PRO 90 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1r3b h PRO 90 CO 0.00 1.19 0.00 2.89 -0.23 0.00 0.00 178.00 181.85 1r3b n ARG 91 N -3.95 0.00 -4.55 0.86 1.85 -1.26 -5.16 116.66 104.45 1r3b n ARG 91 Ca -0.06 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.54 1r3b n ARG 91 Cb 0.70 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 32.00 1r3b n ARG 91 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1r3b s TYR 92 N -1.02 2.22 -0.17 2.89 5.04 -1.26 -4.38 117.35 120.66 1r3b s TYR 92 Ca 0.00 -0.83 -0.04 0.00 -2.44 0.00 0.00 57.07 53.76 1r3b s TYR 92 Cb 0.00 -1.53 0.06 0.00 0.35 0.00 0.00 41.96 40.83 1r3b s TYR 92 CO 0.00 0.22 0.06 -2.00 -1.34 0.00 0.00 175.55 172.48 1r3b s GLU 93 N -3.80 0.38 -0.05 4.97 -6.30 0.37 -3.72 118.70 110.54 1r3b s GLU 93 Ca 0.34 -0.21 0.00 0.00 -2.50 0.00 0.00 54.97 52.60 1r3b s GLU 93 Cb 0.09 -1.85 0.02 0.00 0.00 0.00 0.00 34.13 32.39 1r3b s GLU 93 CO 0.16 -0.61 -0.03 -0.47 0.02 0.00 0.00 175.26 174.33 1r3b s TYR 94 N 1.99 0.73 -0.29 5.30 6.14 -1.26 -4.69 117.35 125.27 1r3b s TYR 94 Ca 0.01 -0.20 0.01 0.00 0.64 0.00 0.00 57.07 57.52 1r3b s TYR 94 Cb -0.16 -0.71 0.20 0.00 0.42 0.00 0.00 41.96 41.70 1r3b s TYR 94 CO -0.08 -0.24 0.73 -1.58 0.64 0.00 0.00 175.55 175.02 1r3b s HIS 95 N 1.26 -1.43 -0.12 4.97 2.46 -1.26 -5.08 115.29 116.09 1r3b s HIS 95 Ca -0.06 0.84 -0.09 0.00 0.47 0.00 0.00 55.06 56.22 1r3b s HIS 95 Cb -0.14 0.25 0.03 0.00 -0.13 0.00 0.00 32.58 32.59 1r3b s HIS 95 CO -0.02 -0.83 0.18 0.91 -2.47 0.00 0.00 174.74 172.50 1r3b n TRP 96 N 5.32 -4.52 -3.70 3.88 8.01 -1.26 -4.69 117.44 120.48 1r3b n TRP 96 Ca 0.06 2.65 0.00 0.00 -1.31 0.00 0.00 57.50 58.91 1r3b n TRP 96 Cb 0.55 -3.86 -0.00 0.00 -2.01 0.00 0.00 31.31 25.98 1r3b n TRP 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1r3b s ALA 97 N -0.63 -2.08 -0.03 6.99 0.00 -1.26 -4.27 121.76 120.47 1r3b s ALA 97 Ca -0.20 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 1r3b s ALA 97 Cb 0.01 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1r3b s ALA 97 CO 0.55 -1.06 1.45 0.34 0.00 0.00 0.00 175.76 177.03 1r3b s ASP 98 N -3.08 6.81 0.00 0.00 2.15 -1.26 -4.86 116.67 116.43 1r3b s ASP 98 Ca 0.16 2.11 0.00 0.00 0.43 0.00 0.00 52.55 55.24 1r3b s ASP 98 Cb 0.02 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1r3b s ASP 98 CO -0.02 -0.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 1r3b n GLY 99 N 3.75 -1.80 3.29 2.66 0.00 -1.26 -4.77 105.19 107.06 1r3b n GLY 99 Ca 0.14 0.83 -0.19 0.00 0.00 0.00 0.00 46.02 46.80 1r3b n GLY 99 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r3b n THR 100 N 0.00 -4.10 0.11 2.61 5.66 -1.26 -4.88 114.28 112.43 1r3b n THR 100 Ca 0.00 0.42 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 1r3b n THR 100 Cb 0.00 -3.77 0.00 0.00 -1.55 0.00 0.00 70.33 65.01 1r3b n THR 100 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1r3b n ASN 101 N 0.47 -1.95 -0.06 1.09 5.03 -1.26 -5.00 115.26 113.58 1r3b n ASN 101 Ca -0.03 0.56 -0.09 0.00 0.87 0.00 0.00 54.58 55.89 1r3b n ASN 101 Cb 0.55 2.02 -0.06 0.00 -1.02 0.00 0.00 39.78 41.28 1r3b n ASN 101 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1r3b n ILE 102 N -2.96 0.75 -4.37 2.41 5.41 -1.26 -5.08 119.36 114.26 1r3b n ILE 102 Ca 0.00 -0.29 -0.21 0.00 1.00 0.00 0.00 62.75 63.25 1r3b n ILE 102 Cb 0.00 -0.95 -0.09 0.00 -0.71 0.00 0.00 39.64 37.89 1r3b n ILE 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1r3b s LYS 103 N -2.26 1.71 0.59 0.38 -2.85 -1.26 -5.14 119.74 110.92 1r3b s LYS 103 Ca -0.17 -2.00 -0.20 0.00 -1.00 0.00 0.00 55.97 52.60 1r3b s LYS 103 Cb 0.04 -0.11 -0.03 0.00 -2.06 0.00 0.00 37.83 35.67 1r3b s LYS 103 CO 0.31 -0.51 1.34 -1.59 0.10 0.00 0.00 175.35 175.00 1r3b s LYS 104 N -3.70 2.86 0.07 1.78 -2.85 -1.26 -3.99 119.74 112.66 1r3b s LYS 104 Ca 0.34 2.19 -0.31 0.00 -1.00 0.00 0.00 55.97 57.19 1r3b s LYS 104 Cb 0.04 -2.08 -0.07 0.00 -2.06 0.00 0.00 37.83 33.66 1r3b s LYS 104 CO 0.19 -1.39 1.32 -1.25 0.10 0.00 0.00 175.35 174.32 1r3b s PRO 105 N -3.11 4.35 0.28 1.78 0.04 -1.26 -4.72 135.00 132.36 1r3b s PRO 105 Ca 0.77 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.78 1r3b s PRO 105 Cb -0.40 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1r3b s PRO 105 CO 0.45 -0.40 0.24 0.96 0.04 0.00 0.00 177.00 178.29 1r3b s ILE 106 N 1.36 0.00 -0.02 0.56 -4.36 -1.26 -5.02 121.20 112.45 1r3b s ILE 106 Ca 0.62 -1.95 -0.30 0.00 -0.26 0.00 0.00 60.65 58.76 1r3b s ILE 106 Cb -0.33 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.82 1r3b s ILE 106 CO 0.29 0.00 1.47 -0.54 0.24 0.00 0.00 174.94 176.40 1r3b s LYS 107 N -3.70 4.25 -0.19 0.37 1.02 -1.26 -4.89 119.74 115.34 1r3b s LYS 107 Ca 0.39 2.02 0.01 0.00 0.02 0.00 0.00 55.97 58.41 1r3b s LYS 107 Cb 0.04 -3.68 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 1r3b s LYS 107 CO 0.21 -0.66 -0.17 0.00 -0.92 0.00 0.00 175.35 173.81 1r3b n SER 109 N 4.63 0.59 0.42 0.00 7.64 -1.26 -4.82 113.62 120.82 1r3b n SER 109 Ca -0.19 -0.77 -0.17 0.00 1.01 0.00 0.00 58.87 58.75 1r3b n SER 109 Cb 0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.41 -1.25 -0.32 -0.43 0.00 -1.83 0.83 119.26 116.67 1r3b h ALA 110 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1r3b h ALA 110 Cb 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1r3b h ALA 110 CO 0.00 -1.17 0.24 -1.00 0.00 0.00 0.00 179.25 177.31 1r3b h PRO 111 N -1.11 0.00 0.11 0.00 0.13 -1.93 0.64 132.00 129.84 1r3b h PRO 111 Ca -0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.83 1r3b h PRO 111 Cb 0.83 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.97 1r3b h PRO 111 CO 0.18 0.00 -0.89 -0.22 -0.23 0.00 0.00 178.00 176.84 1r3b h LYS 112 N 0.00 0.23 -0.67 0.86 1.63 -1.91 -3.26 116.57 113.45 1r3b h LYS 112 Ca 0.15 -0.40 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 1r3b h LYS 112 Cb 0.62 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.37 1r3b h LYS 112 CO -0.00 1.19 0.34 -0.92 -3.45 0.00 0.00 179.45 176.61 1r3b h TYR 113 N -0.46 0.96 -0.91 1.91 5.03 0.13 -2.48 116.97 121.14 1r3b h TYR 113 Ca -0.18 -0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.18 1r3b h TYR 113 Cb 1.58 -0.30 -0.06 0.00 1.55 0.00 0.00 36.73 39.49 1r3b h TYR 113 CO 0.18 0.70 0.59 0.97 -1.32 0.00 0.00 178.16 179.28 1r3b h ILE 114 N 0.93 1.01 -0.37 1.81 2.10 -1.03 -1.92 117.51 120.05 1r3b h ILE 114 Ca 0.23 -0.33 0.05 0.00 1.08 0.00 0.00 64.86 65.89 1r3b h ILE 114 Cb 0.09 -0.04 -0.05 0.00 -1.09 0.00 0.00 36.82 35.74 1r3b h ILE 114 CO -0.03 0.18 0.10 -0.78 -1.08 0.00 0.00 178.15 176.53 1r3b h ASP 115 N 0.96 0.06 -0.99 2.19 3.58 -1.48 -1.62 116.42 119.12 1r3b h ASP 115 Ca 0.41 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.95 1r3b h ASP 115 Cb 0.31 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.37 1r3b h ASP 115 CO -0.17 0.07 0.65 1.88 -2.88 0.00 0.00 179.24 178.79 1r3b h TYR 116 N 0.23 1.21 -0.42 0.28 0.05 -1.31 0.71 116.97 117.73 1r3b h TYR 116 Ca 0.18 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1r3b h TYR 116 Cb 0.19 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 1r3b h TYR 116 CO -0.17 0.70 0.27 1.25 -1.05 0.00 0.00 178.16 179.16 1r3b h LEU 117 N 1.26 0.49 -0.21 3.88 5.85 -1.01 -1.64 115.31 123.92 1r3b h LEU 117 Ca 0.39 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 1r3b h LEU 117 Cb -0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1r3b h LEU 117 CO -0.12 0.36 -0.60 0.24 -0.34 0.00 0.00 178.44 177.98 1r3b h MET 118 N 0.56 0.00 0.68 1.25 2.86 -0.80 -3.23 114.93 116.25 1r3b h MET 118 Ca 0.15 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1r3b h MET 118 Cb -0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.62 1r3b h MET 118 CO -0.03 0.60 -0.33 1.15 1.06 0.00 0.00 176.91 179.36 1r3b h THR 119 N 0.00 0.28 -0.74 2.22 2.02 0.89 0.82 112.91 118.39 1r3b h THR 119 Ca -0.01 -0.13 0.12 0.00 0.77 0.00 0.00 66.41 67.16 1r3b h THR 119 Cb 1.38 0.32 -0.09 0.00 -1.74 0.00 0.00 68.15 68.02 1r3b h THR 119 CO 0.08 0.02 0.33 -0.25 0.37 0.00 0.00 175.52 176.06 1r3b h TRP 120 N -1.02 0.57 -0.14 3.16 7.01 -1.42 0.25 115.95 124.37 1r3b h TRP 120 Ca -0.09 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.88 1r3b h TRP 120 Cb 0.73 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.64 1r3b h TRP 120 CO -0.01 0.13 -0.15 0.28 -2.79 0.00 0.00 178.44 175.90 1r3b h VAL 121 N 0.51 1.35 0.00 2.65 2.07 -1.55 -2.89 116.25 118.39 1r3b h VAL 121 Ca 0.39 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1r3b h VAL 121 Cb 0.54 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1r3b h VAL 121 CO -0.35 0.38 0.00 -0.61 0.02 0.00 0.00 177.57 177.01 1r3b h GLN 122 N -0.02 0.00 0.32 1.57 4.15 0.16 -2.74 115.11 118.55 1r3b h GLN 122 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1r3b h GLN 122 Cb 0.68 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1r3b h GLN 122 CO 0.04 0.00 -0.18 0.22 -1.93 0.00 0.00 178.83 176.97 1r3b h ASP 123 N 0.00 -0.45 -0.13 -0.69 3.58 -0.31 0.12 116.42 118.55 1r3b h ASP 123 Ca 0.00 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.34 1r3b h ASP 123 Cb 0.07 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1r3b h ASP 123 CO 0.00 -0.30 -0.37 1.56 -2.88 0.00 0.00 179.24 177.25 1r3b h GLN 124 N -0.47 0.65 0.00 0.28 7.50 -1.62 0.14 115.11 121.58 1r3b h GLN 124 Ca -0.04 -0.32 -0.00 0.00 0.50 0.00 0.00 58.65 58.79 1r3b h GLN 124 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 1r3b h GLN 124 CO 0.05 0.92 -0.01 -0.07 -1.50 0.00 0.00 178.83 178.21 1r3b h LEU 125 N 0.54 0.00 -1.24 1.46 4.07 -1.25 -0.73 115.31 118.16 1r3b h LEU 125 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1r3b h LEU 125 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1r3b h LEU 125 CO 0.08 0.01 -0.10 -0.67 -1.08 0.00 0.00 178.44 176.68 1r3b n ASP 126 N -3.17 1.83 -3.78 -0.43 2.03 0.39 -4.80 116.55 108.61 1r3b n ASP 126 Ca -0.02 -1.41 -0.30 0.00 0.52 0.00 0.00 54.79 53.58 1r3b n ASP 126 Cb 0.14 0.18 -0.13 0.00 -0.72 0.00 0.00 41.12 40.58 1r3b n ASP 126 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r3b s ASP 127 N -1.28 3.87 0.42 1.67 2.15 0.41 -4.94 116.67 118.97 1r3b s ASP 127 Ca 0.14 -2.64 0.29 0.00 0.43 0.00 0.00 52.55 50.77 1r3b s ASP 127 Cb 0.11 -1.18 1.23 0.00 -0.30 0.00 0.00 42.92 42.77 1r3b s ASP 127 CO 0.22 -0.27 1.87 -0.08 -0.17 0.00 0.00 175.17 176.74 1r3b h GLU 128 N 6.79 0.00 -0.32 4.34 4.81 -1.88 -3.05 114.58 125.28 1r3b h GLU 128 Ca -0.04 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1r3b h GLU 128 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1r3b h GLU 128 CO 0.53 0.00 0.38 1.79 -0.73 0.00 0.00 179.01 180.98 1r3b h THR 129 N 0.00 0.35 -0.39 0.32 1.35 -1.92 0.40 112.91 113.03 1r3b h THR 129 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1r3b h THR 129 Cb 0.42 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 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 -3.64 4.55 -3.32 3.87 -0.00 -1.15 -4.69 117.00 112.62 1r3b n LEU 130 Ca 0.05 -2.93 -0.26 0.00 -0.00 0.00 0.00 56.01 52.88 1r3b n LEU 130 Cb 0.53 -0.59 -0.07 0.00 -0.00 0.00 0.00 43.42 43.29 1r3b n LEU 130 CO 0.26 0.67 -0.06 0.49 -0.00 0.00 0.00 177.39 178.75 1r3b n PHE 131 N 0.00 2.22 -0.88 1.47 3.72 0.14 -4.68 117.46 119.45 1r3b n PHE 131 Ca 0.23 -3.94 0.00 0.00 -0.05 0.00 0.00 57.45 53.69 1r3b n PHE 131 Cb 0.99 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1r3b n PHE 131 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1r3b n PRO 132 N 1.00 0.27 -4.01 -1.08 -0.04 -1.26 -4.99 135.00 124.89 1r3b n PRO 132 Ca 0.27 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.39 1r3b n PRO 132 Cb 0.46 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.77 1r3b n PRO 132 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1r3b s SER 133 N -1.00 3.86 -0.26 3.54 0.15 -1.26 -5.03 113.70 113.70 1r3b s SER 133 Ca 0.00 -0.67 -0.26 0.00 0.70 0.00 0.00 55.95 55.72 1r3b s SER 133 Cb 0.00 -1.61 0.14 0.00 -1.71 0.00 0.00 66.02 62.84 1r3b s SER 133 CO 0.00 -0.05 1.11 -0.75 1.20 0.00 0.00 173.24 174.75 1r3b s LYS 134 N 1.35 0.42 -0.14 5.44 2.20 -1.26 -5.16 119.74 122.59 1r3b s LYS 134 Ca 0.03 0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 56.01 1r3b s LYS 134 Cb -0.15 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1r3b s LYS 134 CO -0.07 -0.07 -0.03 0.96 -0.36 0.00 0.00 175.35 175.78 1r3b s ILE 135 N -0.09 4.01 0.00 5.43 -4.36 -1.26 -4.62 121.20 120.31 1r3b s ILE 135 Ca 0.03 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 1r3b s ILE 135 Cb -0.04 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.93 1r3b s ILE 135 CO -0.07 0.51 0.00 0.61 0.24 0.00 0.00 174.94 176.24 1r3b n GLY 136 N 3.24 1.14 3.76 6.27 0.00 -1.26 -5.02 105.19 113.32 1r3b n GLY 136 Ca -0.17 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 2.85 0.74 1.61 0.11 -1.26 -4.85 120.40 119.59 1r3b s VAL 137 Ca 0.00 0.80 -0.15 0.00 -2.93 0.00 0.00 61.98 59.70 1r3b s VAL 137 Cb 0.00 -3.51 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1r3b s VAL 137 CO 0.00 0.17 1.20 -2.16 -3.33 0.00 0.00 175.10 170.98 1r3b s PRO 138 N -1.21 2.11 -0.08 1.54 0.04 -1.26 -4.94 135.00 131.19 1r3b s PRO 138 Ca 0.52 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 63.02 1r3b s PRO 138 Cb -0.39 -1.83 -0.23 0.00 0.04 0.00 0.00 34.50 32.08 1r3b s PRO 138 CO 0.48 -1.85 1.01 0.74 0.04 0.00 0.00 177.00 177.41 1r3b h PHE 139 N -0.37 0.08 -0.29 0.56 0.04 -1.93 -3.28 116.94 111.75 1r3b h PHE 139 Ca -0.47 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.25 1r3b h PHE 139 Cb 1.29 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.43 1r3b h PHE 139 CO 0.48 0.83 0.00 -0.35 -0.60 0.00 0.00 178.31 178.66 1r3b n PRO 140 N -4.65 2.38 -1.70 1.51 -0.04 -1.26 -4.87 135.00 126.36 1r3b n PRO 140 Ca -0.09 -1.34 -0.20 0.00 -0.04 0.00 0.00 63.50 61.82 1r3b n PRO 140 Cb 0.42 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.37 -1.48 -0.86 0.54 4.76 -1.24 -4.67 118.16 115.57 1r3b n LYS 141 Ca 0.12 1.15 -0.05 0.00 -2.87 0.00 0.00 58.31 56.66 1r3b n LYS 141 Cb 0.52 -5.57 -0.05 0.00 -1.84 0.00 0.00 35.03 28.10 1r3b n LYS 141 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1r3b n ASN 142 N -1.38 -0.74 -0.10 4.39 5.15 -1.26 -4.99 115.26 116.33 1r3b n ASN 142 Ca -0.21 -1.51 -0.10 0.00 -0.60 0.00 0.00 54.58 52.16 1r3b n ASN 142 Cb 0.66 0.22 -0.03 0.00 -0.53 0.00 0.00 39.78 40.11 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1r3b h PHE 143 N 0.00 0.52 -0.39 1.20 3.04 -1.91 0.41 116.94 119.82 1r3b h PHE 143 Ca -0.42 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.42 1r3b h PHE 143 Cb 1.18 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.53 1r3b h PHE 143 CO -0.15 0.55 0.07 0.52 -2.02 0.00 0.00 178.31 177.28 1r3b h MET 144 N 0.34 0.64 -0.35 1.11 2.86 -1.97 0.84 114.93 118.39 1r3b h MET 144 Ca 0.10 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1r3b h MET 144 Cb 0.30 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1r3b h MET 144 CO 0.00 0.69 -0.30 1.03 1.06 0.00 0.00 176.91 179.39 1r3b h SER 145 N 0.48 0.88 -0.24 1.22 0.87 -1.93 -1.74 113.55 113.08 1r3b h SER 145 Ca 0.12 -0.45 -0.18 0.00 -1.23 0.00 0.00 61.79 60.04 1r3b h SER 145 Cb 0.36 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1r3b h SER 145 CO 0.01 1.14 -0.56 1.62 -0.53 0.00 0.00 176.83 178.52 1r3b h VAL 146 N 0.62 1.29 -0.19 2.23 3.04 -0.08 -2.21 116.25 120.94 1r3b h VAL 146 Ca 0.06 -1.75 -0.04 0.00 -1.01 0.00 0.00 66.70 63.96 1r3b h VAL 146 Cb 0.88 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1r3b h VAL 146 CO 0.08 0.56 -0.07 0.00 -1.01 0.00 0.00 177.57 177.13 1r3b h ALA 147 N 0.64 1.52 -0.00 3.17 0.00 0.74 0.72 119.26 126.04 1r3b h ALA 147 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1r3b h ALA 147 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1r3b h ALA 147 CO 0.12 0.34 -0.20 -0.22 0.00 0.00 0.00 179.25 179.30 1r3b h LYS 148 N 0.29 0.14 0.00 0.00 1.63 -1.24 -2.71 116.57 114.67 1r3b h LYS 148 Ca 0.06 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1r3b h LYS 148 Cb 0.31 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1r3b h LYS 148 CO 0.01 0.89 -0.17 0.00 -3.45 0.00 0.00 179.45 176.73 1r3b h THR 149 N -0.55 0.55 0.00 1.00 1.03 -1.27 -2.79 112.91 110.89 1r3b h THR 149 Ca -0.02 -0.83 -0.08 0.00 -0.01 0.00 0.00 66.41 65.47 1r3b h THR 149 Cb 0.95 1.56 0.01 0.00 -1.07 0.00 0.00 68.15 69.59 1r3b h THR 149 CO 0.04 0.17 -0.31 -0.29 -0.01 0.00 0.00 175.52 175.12 1r3b h ILE 150 N 0.00 1.54 -0.36 0.00 2.10 -0.89 -2.56 117.51 117.34 1r3b h ILE 150 Ca -0.00 -2.00 -0.04 0.00 1.08 0.00 0.00 64.86 63.90 1r3b h ILE 150 Cb 0.54 2.79 -0.02 0.00 -1.09 0.00 0.00 36.82 39.04 1r3b h ILE 150 CO 0.02 0.55 0.06 0.17 -1.08 0.00 0.00 178.15 177.88 1r3b h LEU 151 N -0.46 0.49 -0.48 2.19 8.10 -1.42 -0.57 115.31 123.16 1r3b h LEU 151 Ca -0.04 -0.07 -0.17 0.00 0.11 0.00 0.00 57.88 57.71 1r3b h LEU 151 Cb 1.07 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 41.15 1r3b h LEU 151 CO 0.06 0.52 -0.74 0.11 -4.11 0.00 0.00 178.44 174.27 1r3b h LYS 152 N 0.52 0.16 -0.00 0.17 1.57 -1.57 -2.74 116.57 114.68 1r3b h LYS 152 Ca 0.12 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1r3b h LYS 152 Cb 0.24 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1r3b h LYS 152 CO 0.00 0.83 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.57 1r3b h ARG 153 N 0.10 0.04 0.01 3.15 9.65 -0.98 -3.13 114.38 123.22 1r3b h ARG 153 Ca -0.02 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1r3b h ARG 153 Cb 1.31 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1r3b h ARG 153 CO 0.11 0.79 -0.01 1.37 2.80 0.00 0.00 179.97 185.03 1r3b h LEU 154 N -0.70 -0.02 -0.89 3.80 8.10 -1.21 -2.69 115.31 121.70 1r3b h LEU 154 Ca -0.01 -0.03 0.17 0.00 0.11 0.00 0.00 57.88 58.13 1r3b h LEU 154 Cb 0.81 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 40.93 1r3b h LEU 154 CO 0.01 0.02 0.46 0.15 -4.11 0.00 0.00 178.44 174.97 1r3b h PHE 155 N -0.05 0.81 -0.74 0.17 3.57 -1.62 0.36 116.94 119.43 1r3b h PHE 155 Ca -0.00 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.69 1r3b h PHE 155 Cb 0.04 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 1r3b h PHE 155 CO -0.07 0.14 0.50 -0.09 -2.23 0.00 0.00 178.31 176.56 1r3b h ARG 156 N 0.60 0.35 -0.37 1.11 9.65 -1.41 0.26 114.38 124.57 1r3b h ARG 156 Ca 0.51 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 59.27 1r3b h ARG 156 Cb 0.80 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 1r3b h ARG 156 CO -0.40 0.23 -0.19 0.28 2.80 0.00 0.00 179.97 182.69 1r3b h VAL 157 N 0.36 1.26 0.48 0.20 2.07 -0.24 -1.57 116.25 118.82 1r3b h VAL 157 Ca 0.37 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1r3b h VAL 157 Cb 0.91 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1r3b h VAL 157 CO -0.11 0.42 -0.23 0.22 0.02 0.00 0.00 177.57 177.89 1r3b h TYR 158 N 0.62 -0.59 -0.49 1.57 3.20 -0.25 -2.75 116.97 118.28 1r3b h TYR 158 Ca 0.09 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1r3b h TYR 158 Cb 0.66 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1r3b h TYR 158 CO 0.03 -0.34 -0.01 0.00 -1.64 0.00 0.00 178.16 176.19 1r3b h ALA 159 N -0.18 1.06 0.12 1.82 0.00 -1.45 0.52 119.26 121.15 1r3b h ALA 159 Ca -0.07 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1r3b h ALA 159 Cb 0.51 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1r3b h ALA 159 CO 0.11 0.59 -0.36 1.25 0.00 0.00 0.00 179.25 180.84 1r3b h HIS 160 N 0.77 -0.99 -0.03 0.00 -0.00 -1.19 0.32 115.15 114.02 1r3b h HIS 160 Ca 0.15 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.32 1r3b h HIS 160 Cb 0.48 0.42 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 1r3b h HIS 160 CO 0.03 -0.47 -0.88 -0.84 -0.00 0.00 0.00 177.93 175.77 1r3b h ILE 161 N -0.59 1.38 0.71 6.26 3.07 -1.48 -2.60 117.51 124.26 1r3b h ILE 161 Ca 0.03 -2.33 -0.03 0.00 1.55 0.00 0.00 64.86 64.07 1r3b h ILE 161 Cb 0.62 2.31 0.01 0.00 -0.27 0.00 0.00 36.82 39.49 1r3b h ILE 161 CO -0.21 0.70 -0.34 0.22 -1.05 0.00 0.00 178.15 177.47 1r3b h TYR 162 N 0.27 -0.88 0.00 0.16 3.20 -0.65 0.86 116.97 119.93 1r3b h TYR 162 Ca -0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1r3b h TYR 162 Cb 1.50 0.29 0.00 0.00 1.54 0.00 0.00 36.73 40.06 1r3b h TYR 162 CO 0.06 -0.54 0.00 0.45 -1.64 0.00 0.00 178.16 176.49 1r3b h HIS 163 N -0.99 0.00 0.00 -3.82 3.86 -0.47 -3.08 115.15 110.65 1r3b h HIS 163 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1r3b h HIS 163 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1r3b h HIS 163 CO -0.02 0.00 -0.43 1.04 0.86 0.00 0.00 177.93 179.38 1r3b n GLN 164 N -2.60 0.33 -2.87 2.45 1.13 -0.98 -4.66 117.38 110.18 1r3b n GLN 164 Ca 0.01 0.38 -0.41 0.00 -1.94 0.00 0.00 57.00 55.03 1r3b n GLN 164 Cb 0.22 -1.35 0.01 0.00 0.11 0.00 0.00 30.24 29.23 1r3b n GLN 164 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1r3b n HIS 165 N -3.89 2.52 0.06 1.08 -0.00 0.30 -4.79 115.22 110.49 1r3b n HIS 165 Ca -0.06 -2.65 -0.13 0.00 -0.00 0.00 0.00 57.72 54.89 1r3b n HIS 165 Cb 0.22 -1.19 -0.09 0.00 -0.00 0.00 0.00 29.99 28.94 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 4.85 -0.14 -1.00 4.41 3.04 -1.71 -3.07 116.94 123.32 1r3b h PHE 166 Ca 0.33 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.32 1r3b h PHE 166 Cb 0.50 0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.99 1r3b h PHE 166 CO 1.13 0.22 0.66 0.22 -2.02 0.00 0.00 178.31 178.52 1r3b h ASP 167 N -0.52 1.09 -0.52 0.41 1.82 -1.90 -1.24 116.42 115.55 1r3b h ASP 167 Ca -0.02 -0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.73 1r3b h ASP 167 Cb 0.42 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 1r3b h ASP 167 CO 0.03 0.73 0.36 0.00 -1.61 0.00 0.00 179.24 178.75 1r3b h ALA 168 N 1.42 2.22 0.08 -0.78 0.00 -1.93 -0.15 119.26 120.12 1r3b h ALA 168 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1r3b h ALA 168 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1r3b h ALA 168 CO -0.13 -0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.01 1r3b h VAL 169 N 0.20 1.01 0.00 0.00 2.07 -1.13 -2.80 116.25 115.61 1r3b h VAL 169 Ca 0.25 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1r3b h VAL 169 Cb 0.70 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1r3b h VAL 169 CO -0.04 0.07 -0.34 0.24 0.02 0.00 0.00 177.57 177.52 1r3b h MET 170 N -0.23 0.00 -0.04 1.57 2.86 -1.39 -3.21 114.93 114.49 1r3b h MET 170 Ca -0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1r3b h MET 170 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1r3b h MET 170 CO 0.02 0.34 -0.01 0.37 1.06 0.00 0.00 176.91 178.68 1r3b h GLN 171 N 0.00 -0.00 -0.17 1.72 5.75 -0.80 -2.38 115.11 119.22 1r3b h GLN 171 Ca -0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1r3b h GLN 171 Cb 0.87 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1r3b h GLN 171 CO 0.04 -0.00 -0.11 1.37 -2.65 0.00 0.00 178.83 177.48 1r3b h LEU 172 N -0.00 0.26 0.00 -2.39 8.10 -1.52 -3.46 115.31 116.30 1r3b h LEU 172 Ca 0.02 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1r3b h LEU 172 Cb 0.03 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.19 1r3b h LEU 172 CO -0.04 0.40 0.00 0.00 -4.11 0.00 0.00 178.44 174.69 1r3b n GLN 173 N -4.28 0.00 -3.45 0.17 6.02 -0.90 -5.16 117.38 109.79 1r3b n GLN 173 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.87 1r3b n GLN 173 Cb 0.26 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.50 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1r3b s GLU 174 N -0.18 1.21 0.29 -1.09 0.41 -1.22 -4.76 118.70 113.35 1r3b s GLU 174 Ca 0.00 -0.45 0.26 0.00 -0.41 0.00 0.00 54.97 54.36 1r3b s GLU 174 Cb 0.00 0.55 0.86 0.00 -1.78 0.00 0.00 34.13 33.76 1r3b s GLU 174 CO 0.00 -0.53 1.76 1.49 -0.49 0.00 0.00 175.26 177.49 1r3b h GLU 175 N 2.00 0.00 -0.95 1.61 4.22 -1.87 -3.25 114.58 116.34 1r3b h GLU 175 Ca -0.32 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.25 1r3b h GLU 175 Cb 1.30 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.46 1r3b h GLU 175 CO 0.36 0.00 0.57 0.00 -2.18 0.00 0.00 179.01 177.76 1r3b h ALA 176 N 2.33 1.42 0.29 2.92 0.00 -1.95 -1.28 119.26 122.98 1r3b h ALA 176 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r3b h ALA 176 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1r3b h ALA 176 CO 0.00 0.14 -0.43 1.25 0.00 0.00 0.00 179.25 180.21 1r3b h HIS 177 N 0.89 -1.19 0.14 0.00 2.76 -1.96 0.90 115.15 116.69 1r3b h HIS 177 Ca 0.48 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.67 1r3b h HIS 177 Cb 0.51 0.48 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 1r3b h HIS 177 CO -0.03 -0.56 -0.17 1.25 -1.30 0.00 0.00 177.93 177.13 1r3b h LEU 178 N -0.77 -0.45 -1.25 0.26 6.46 -1.68 -0.74 115.31 117.13 1r3b h LEU 178 Ca -0.01 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.87 1r3b h LEU 178 Cb 0.73 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 1r3b h LEU 178 CO -0.15 -0.25 0.54 -1.13 -0.62 0.00 0.00 178.44 176.84 1r3b h ASN 179 N -0.35 0.78 0.66 1.25 -0.73 -1.05 -0.27 115.58 115.87 1r3b h ASN 179 Ca 0.01 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 1r3b h ASN 179 Cb 0.34 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 38.79 1r3b h ASN 179 CO -0.06 0.49 -0.32 0.74 -0.37 0.00 0.00 177.43 177.91 1r3b h THR 180 N 0.88 0.32 -0.47 -3.57 2.02 0.15 -2.41 112.91 109.83 1r3b h THR 180 Ca 0.37 -0.12 0.12 0.00 0.77 0.00 0.00 66.41 67.55 1r3b h THR 180 Cb 0.30 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1r3b h THR 180 CO -0.14 0.02 0.33 0.28 0.37 0.00 0.00 175.52 176.38 1r3b h SER 181 N -0.97 0.08 -0.88 4.18 0.02 -0.75 0.03 113.55 115.26 1r3b h SER 181 Ca -0.09 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.02 1r3b h SER 181 Cb 0.70 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 1r3b h SER 181 CO 0.15 0.05 0.57 0.15 -1.14 0.00 0.00 176.83 176.61 1r3b h PHE 182 N 0.09 0.73 -1.00 3.45 3.04 -0.53 0.14 116.94 122.87 1r3b h PHE 182 Ca 0.22 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.32 1r3b h PHE 182 Cb 0.76 -0.23 -0.09 0.00 2.56 0.00 0.00 35.95 38.96 1r3b h PHE 182 CO -0.00 0.25 0.63 -0.22 -2.02 0.00 0.00 178.31 176.95 1r3b h LYS 183 N 0.60 0.91 -0.32 1.11 3.64 -0.91 -0.72 116.57 120.89 1r3b h LYS 183 Ca 0.45 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.71 1r3b h LYS 183 Cb 0.84 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1r3b h LYS 183 CO -0.20 0.60 -0.04 1.25 -2.27 0.00 0.00 179.45 178.79 1r3b h HIS 184 N 0.94 0.67 -0.10 1.91 2.76 -1.10 0.94 115.15 121.16 1r3b h HIS 184 Ca 0.51 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.57 1r3b h HIS 184 Cb 0.56 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 1r3b h HIS 184 CO -0.00 0.75 0.10 0.74 -1.30 0.00 0.00 177.93 178.22 1r3b h PHE 185 N 0.39 0.00 0.00 5.26 0.04 -0.97 0.37 116.94 122.02 1r3b h PHE 185 Ca 0.09 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.64 1r3b h PHE 185 Cb 0.52 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1r3b h PHE 185 CO 0.04 0.00 -1.53 -0.89 -0.60 0.00 0.00 178.31 175.34 1r3b n ILE 186 N -3.96 1.50 0.19 -0.55 2.08 -0.52 -4.22 119.36 113.89 1r3b n ILE 186 Ca -0.00 -0.07 0.14 0.00 0.56 0.00 0.00 62.75 63.38 1r3b n ILE 186 Cb 0.21 -2.13 0.74 0.00 -0.75 0.00 0.00 39.64 37.71 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1r3b h PHE 187 N -1.00 0.00 0.54 1.39 -1.00 0.97 0.16 116.94 118.00 1r3b h PHE 187 Ca -0.33 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.43 1r3b h PHE 187 Cb 1.20 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.77 1r3b h PHE 187 CO -0.16 0.00 -0.26 0.35 -1.61 0.00 0.00 178.31 176.63 1r3b h PHE 188 N 0.00 -0.67 -0.03 -0.55 3.57 -1.10 0.47 116.94 118.62 1r3b h PHE 188 Ca 0.08 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 1r3b h PHE 188 Cb 0.38 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1r3b h PHE 188 CO 0.00 -0.34 -0.50 -0.24 -2.23 0.00 0.00 178.31 174.99 1r3b h VAL 189 N -1.00 1.36 0.00 1.41 3.04 -1.67 -2.92 116.25 116.46 1r3b h VAL 189 Ca -0.07 -1.74 -0.17 0.00 -1.01 0.00 0.00 66.70 63.71 1r3b h VAL 189 Cb 0.63 1.90 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 1r3b h VAL 189 CO 0.12 0.50 -0.80 1.56 -1.01 0.00 0.00 177.57 177.95 1r3b h GLN 190 N 0.07 0.00 0.37 4.17 4.20 -0.97 0.38 115.11 123.32 1r3b h GLN 190 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1r3b h GLN 190 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1r3b h GLN 190 CO 0.07 0.80 -0.18 0.93 -0.67 0.00 0.00 178.83 179.78 1r3b h GLU 191 N 0.00 -0.47 -0.15 1.46 4.39 0.14 -3.12 114.58 116.83 1r3b h GLU 191 Ca -0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1r3b h GLU 191 Cb 1.43 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1r3b h GLU 191 CO 0.10 -0.17 0.00 1.19 -1.16 0.00 0.00 179.01 178.98 1r3b n PHE 192 N -5.18 0.19 -3.63 4.33 3.01 -1.16 -4.93 117.46 110.10 1r3b n PHE 192 Ca -0.10 -0.09 -0.21 0.00 1.01 0.00 0.00 57.45 58.05 1r3b n PHE 192 Cb 0.27 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.80 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 0.16 -2.61 -1.99 4.37 5.15 -0.51 -4.88 115.26 114.94 1r3b n ASN 193 Ca 0.15 -0.71 -0.16 0.00 -0.60 0.00 0.00 54.58 53.26 1r3b n ASN 193 Cb 0.29 -4.51 0.19 0.00 -0.53 0.00 0.00 39.78 35.21 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1r3b n LEU 194 N -4.38 6.02 -4.48 1.20 0.00 0.12 -4.91 117.00 110.57 1r3b n LEU 194 Ca -0.21 -3.18 -0.32 0.00 0.00 0.00 0.00 56.01 52.29 1r3b n LEU 194 Cb 0.64 -0.77 -0.13 0.00 0.00 0.00 0.00 43.42 43.16 1r3b n LEU 194 CO 0.66 0.90 -0.46 -0.51 0.00 0.00 0.00 177.39 177.99 1r3b s ILE 195 N -2.77 3.04 0.05 1.96 -1.16 -1.25 -4.98 121.20 116.09 1r3b s ILE 195 Ca 0.49 -0.88 0.00 0.00 -0.51 0.00 0.00 60.65 59.75 1r3b s ILE 195 Cb 0.40 -2.24 0.00 0.00 0.61 0.00 0.00 42.46 41.24 1r3b s ILE 195 CO 0.10 0.49 0.00 -0.67 -2.81 0.00 0.00 174.94 172.05 1r3b n ASP 196 N 1.97 0.59 0.01 4.50 2.03 -1.26 -5.07 116.55 119.33 1r3b n ASP 196 Ca -0.17 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1r3b n ASP 196 Cb 0.52 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1r3b n ASP 196 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1r3b n ARG 197 N -3.26 0.00 0.26 -0.67 0.63 -1.26 -4.94 116.66 107.41 1r3b n ARG 197 Ca 0.00 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.08 1r3b n ARG 197 Cb 0.23 0.00 0.60 0.00 0.45 0.00 0.00 32.46 33.74 1r3b n ARG 197 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1r3b h ARG 198 N 0.00 0.00 -0.31 -0.14 2.47 -1.99 -3.15 114.38 111.25 1r3b h ARG 198 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1r3b h ARG 198 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1r3b h ARG 198 CO 0.00 0.08 0.13 1.49 0.56 0.00 0.00 179.97 182.23 1r3b h GLU 199 N 0.00 0.27 -0.90 0.04 4.22 -1.95 -1.99 114.58 114.28 1r3b h GLU 199 Ca -0.00 -0.02 -0.30 0.00 0.08 0.00 0.00 59.36 59.13 1r3b h GLU 199 Cb 0.60 -0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.61 1r3b h GLU 199 CO 0.01 0.18 0.38 1.28 -2.18 0.00 0.00 179.01 178.68 1r3b n LEU 200 N -4.99 5.70 0.47 1.64 4.77 -1.19 -4.59 117.00 118.80 1r3b n LEU 200 Ca -0.00 -2.99 -0.19 0.00 -0.03 0.00 0.00 56.01 52.80 1r3b n LEU 200 Cb 0.10 -0.74 -0.09 0.00 -2.33 0.00 0.00 43.42 40.36 1r3b n LEU 200 CO 0.29 0.83 0.53 0.00 -1.33 0.00 0.00 177.39 177.72 1r3b h ALA 201 N 1.91 -1.31 0.00 -1.18 0.00 -1.39 -3.25 119.26 114.04 1r3b h ALA 201 Ca 0.37 -0.26 -0.48 0.00 0.00 0.00 0.00 54.91 54.53 1r3b h ALA 201 Cb 2.29 0.49 0.02 0.00 0.00 0.00 0.00 17.79 20.59 1r3b h ALA 201 CO 0.75 -1.23 2.90 -0.35 0.00 0.00 0.00 179.25 181.32 1r3b n PRO 202 N -5.30 2.45 0.00 0.00 -0.04 -1.26 -3.36 135.00 127.49 1r3b n PRO 202 Ca -0.15 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1r3b n PRO 202 Cb 0.48 -2.60 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 4.40 0.00 0.12 1.53 4.77 -1.22 -4.87 117.00 121.73 1r3b n LEU 203 Ca 0.53 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.71 1r3b n LEU 203 Cb 0.19 0.12 0.73 0.00 -2.33 0.00 0.00 43.42 42.13 1r3b n LEU 203 CO 0.78 -0.27 1.17 -0.61 -1.33 0.00 0.00 177.39 177.13 1r3b h GLN 204 N 0.00 0.00 0.00 3.23 4.15 -1.70 0.81 115.11 121.60 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1r3b h GLN 204 CO 0.00 0.00 -0.00 1.49 -1.93 0.00 0.00 178.83 178.39 1r3b h GLU 205 N 0.00 -0.00 -0.07 1.69 4.81 -1.90 -2.24 114.58 116.87 1r3b h GLU 205 Ca 0.17 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1r3b h GLU 205 Cb 1.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1r3b h GLU 205 CO -0.00 0.78 -0.49 1.37 -0.73 0.00 0.00 179.01 179.94 1r3b h LEU 206 N -0.79 0.19 -0.49 1.64 8.10 -1.57 -2.67 115.31 119.72 1r3b h LEU 206 Ca -0.00 -0.09 -0.17 0.00 0.11 0.00 0.00 57.88 57.73 1r3b h LEU 206 Cb 0.78 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 1r3b h LEU 206 CO 0.00 0.65 -0.67 0.40 -4.11 0.00 0.00 178.44 174.71 1r3b h ILE 207 N 0.14 1.38 0.11 0.15 1.08 -0.99 -2.41 117.51 116.97 1r3b h ILE 207 Ca 0.01 -2.06 -0.01 0.00 -0.39 0.00 0.00 64.86 62.41 1r3b h ILE 207 Cb 0.92 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1r3b h ILE 207 CO 0.07 0.62 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.77 1r3b h GLU 208 N 0.26 -0.14 -0.36 2.37 5.08 -1.25 -1.63 114.58 118.89 1r3b h GLU 208 Ca -0.02 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1r3b h GLU 208 Cb 1.22 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1r3b h GLU 208 CO 0.11 0.21 0.17 0.87 -1.00 0.00 0.00 179.01 179.37 1r3b h LYS 209 N -0.52 0.50 -0.43 2.33 1.57 -1.54 -2.27 116.57 116.21 1r3b h LYS 209 Ca -0.02 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1r3b h LYS 209 Cb 0.42 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1r3b h LYS 209 CO 0.03 0.39 -0.29 1.25 -0.57 0.00 0.00 179.45 180.26 1r3b h LEU 210 N 0.50 0.99 0.00 2.94 6.46 -1.35 -3.49 115.31 121.36 1r3b h LEU 210 Ca 0.13 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1r3b h LEU 210 Cb 0.06 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 1r3b h LEU 210 CO -0.02 1.20 0.00 0.61 -0.62 0.00 0.00 178.44 179.61 1r3b n GLY 211 N -0.02 2.81 0.54 3.75 0.00 -0.62 -5.05 105.19 106.59 1r3b n GLY 211 Ca -0.01 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 1r3b n GLY 211 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3b n SER 212 N 0.00 1.04 -2.58 1.61 7.64 -1.26 -4.50 113.62 115.56 1r3b n SER 212 Ca 0.00 0.16 -0.04 0.00 1.01 0.00 0.00 58.87 60.00 1r3b n SER 212 Cb 0.00 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 1r3b n SER 212 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1r3b n LYS 213 N -3.50 -4.23 -2.51 1.43 5.02 -1.26 -5.01 118.16 108.10 1r3b n LYS 213 Ca -0.05 3.23 -0.27 0.00 -2.02 0.00 0.00 58.31 59.20 1r3b n LYS 213 Cb 0.18 -5.03 0.01 0.00 -0.02 0.00 0.00 35.03 30.16 1r3b n LYS 213 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1r3b s ASP 214 N -0.87 6.09 0.00 4.39 1.47 -1.26 -5.31 116.67 121.18 1r3b s ASP 214 Ca -0.22 0.91 0.21 0.00 1.18 0.00 0.00 52.55 54.64 1r3b s ASP 214 Cb 0.01 -2.13 1.25 0.00 -0.34 0.00 0.00 42.92 41.72 1r3b s ASP 214 CO 0.77 -0.72 1.63 -2.11 0.68 0.00 0.00 175.17 175.42