#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3b n GLY 15 N 0.00 1.46 3.78 -5.12 0.00 -1.26 -5.19 105.19 98.86 1r3b n GLY 15 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 16 N 0.00 -0.15 0.16 1.61 0.01 -1.26 -5.19 113.70 108.88 1r3b s SER 16 Ca 0.00 -0.49 -0.23 0.00 1.31 0.00 0.00 55.95 56.53 1r3b s SER 16 Cb 0.00 0.52 0.07 0.00 0.21 0.00 0.00 66.02 66.82 1r3b s SER 16 CO 0.00 -0.98 0.66 -0.44 0.41 0.00 0.00 173.24 172.89 1r3b s SER 17 N -3.01 -0.49 -0.13 2.44 0.01 -1.26 -5.16 113.70 106.11 1r3b s SER 17 Ca 0.14 -0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 1r3b s SER 17 Cb -0.02 0.59 0.04 0.00 0.21 0.00 0.00 66.02 66.84 1r3b s SER 17 CO 0.04 -0.98 0.03 -2.28 0.41 0.00 0.00 173.24 170.45 1r3b s HIS 18 N -3.68 0.65 -0.26 2.43 5.65 -1.26 -5.12 115.29 113.70 1r3b s HIS 18 Ca 0.03 -0.38 -0.09 0.00 0.25 0.00 0.00 55.06 54.88 1r3b s HIS 18 Cb -0.02 -0.83 -0.04 0.00 -1.18 0.00 0.00 32.58 30.52 1r3b s HIS 18 CO -0.09 -0.44 0.11 -1.01 -0.65 0.00 0.00 174.74 172.66 1r3b s HIS 19 N 1.98 3.14 -0.30 3.88 0.09 -1.26 -5.04 115.29 117.78 1r3b s HIS 19 Ca 0.03 -0.22 0.03 0.00 -0.00 0.00 0.00 55.06 54.90 1r3b s HIS 19 Cb -0.14 -2.27 0.17 0.00 -0.00 0.00 0.00 32.58 30.33 1r3b s HIS 19 CO -0.07 -0.26 0.44 -1.01 -0.00 0.00 0.00 174.74 173.84 1r3b s HIS 20 N 1.59 -1.07 -0.16 1.40 0.09 -1.26 -5.13 115.29 110.75 1r3b s HIS 20 Ca 0.06 0.30 0.00 0.00 -0.00 0.00 0.00 55.06 55.42 1r3b s HIS 20 Cb -0.15 -0.11 0.03 0.00 -0.00 0.00 0.00 32.58 32.35 1r3b s HIS 20 CO 0.06 -1.01 -0.11 -3.38 -0.00 0.00 0.00 174.74 170.30 1r3b s HIS 21 N 2.44 2.09 -0.11 1.40 0.00 -1.26 -5.10 115.29 114.75 1r3b s HIS 21 Ca 0.11 -1.25 -0.03 0.00 -3.00 0.00 0.00 55.06 50.89 1r3b s HIS 21 Cb -0.12 -1.52 0.05 0.00 -4.00 0.00 0.00 32.58 26.99 1r3b s HIS 21 CO -0.26 -0.66 0.12 -1.58 -1.00 0.00 0.00 174.74 171.35 1r3b s HIS 22 N 1.51 -0.04 0.03 0.38 5.65 -1.26 -5.14 115.29 116.42 1r3b s HIS 22 Ca 0.03 0.25 0.05 0.00 0.25 0.00 0.00 55.06 55.63 1r3b s HIS 22 Cb -0.14 -0.44 -0.02 0.00 -1.18 0.00 0.00 32.58 30.80 1r3b s HIS 22 CO -0.09 -0.35 -0.14 -3.38 -0.65 0.00 0.00 174.74 170.13 1r3b s HIS 23 N 2.23 1.25 -0.20 3.88 0.00 -1.26 -5.13 115.29 116.05 1r3b s HIS 23 Ca 0.04 -0.33 -0.01 0.00 -3.00 0.00 0.00 55.06 51.75 1r3b s HIS 23 Cb -0.13 -0.75 0.06 0.00 -4.00 0.00 0.00 32.58 27.75 1r3b s HIS 23 CO -0.07 0.03 -0.00 -1.12 -1.00 0.00 0.00 174.74 172.58 1r3b s SER 24 N -0.98 3.19 -0.32 7.38 0.01 -1.26 -5.07 113.70 116.65 1r3b s SER 24 Ca 0.02 -0.91 0.05 0.00 1.31 0.00 0.00 55.95 56.42 1r3b s SER 24 Cb -0.07 -0.81 0.18 0.00 0.21 0.00 0.00 66.02 65.52 1r3b s SER 24 CO 0.01 -0.27 0.54 -0.55 0.41 0.00 0.00 173.24 173.37 1r3b s SER 25 N 1.69 -0.88 -0.35 2.44 0.15 -1.26 -5.05 113.70 110.44 1r3b s SER 25 Ca -0.02 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.33 1r3b s SER 25 Cb -0.17 1.67 0.29 0.00 -1.71 0.00 0.00 66.02 66.09 1r3b s SER 25 CO -0.07 -0.28 1.25 0.61 1.20 0.00 0.00 173.24 175.94 1r3b n GLY 26 N 5.10 -1.38 2.91 9.45 0.00 -1.26 -5.14 105.19 114.87 1r3b n GLY 26 Ca 0.06 0.83 -0.27 0.00 0.00 0.00 0.00 46.02 46.63 1r3b n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1r3b s LEU 27 N -0.59 1.23 -0.21 0.99 2.34 -1.26 -5.12 118.68 116.05 1r3b s LEU 27 Ca 0.25 -0.32 -0.05 0.00 0.06 0.00 0.00 54.13 54.06 1r3b s LEU 27 Cb 0.24 -0.87 -0.02 0.00 -0.56 0.00 0.00 46.19 44.98 1r3b s LEU 27 CO -0.13 -0.12 0.01 0.54 -1.06 0.00 0.00 176.35 175.60 1r3b s VAL 28 N 1.69 4.01 0.67 1.48 0.11 -1.26 -5.11 120.40 122.00 1r3b s VAL 28 Ca 0.05 -0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 58.69 1r3b s VAL 28 Cb -0.13 -2.83 0.00 0.00 -1.53 0.00 0.00 36.38 31.90 1r3b s VAL 28 CO -0.08 0.41 1.06 -2.16 -3.33 0.00 0.00 175.10 171.00 1r3b s PRO 29 N 1.14 2.96 0.10 1.54 0.04 -1.26 -5.08 135.00 134.44 1r3b s PRO 29 Ca 0.03 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 1r3b s PRO 29 Cb -0.14 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1r3b s PRO 29 CO 0.02 -1.09 0.09 1.03 0.04 0.00 0.00 177.00 177.09 1r3b s ARG 30 N -4.70 0.86 0.00 4.56 0.52 -1.26 -5.16 118.95 113.77 1r3b s ARG 30 Ca 0.60 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 1r3b s ARG 30 Cb -0.15 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.59 1r3b s ARG 30 CO 0.49 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.98 1r3b n GLY 31 N -0.05 4.38 3.63 -3.53 0.00 -1.26 -5.17 105.19 103.18 1r3b n GLY 31 Ca -0.10 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 1r3b n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 32 N 0.00 -0.26 -0.04 1.61 0.15 -1.26 -5.17 113.70 108.73 1r3b s SER 32 Ca 0.00 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.08 1r3b s SER 32 Cb 0.00 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.73 1r3b s SER 32 CO 0.00 -0.14 -0.04 0.00 1.20 0.00 0.00 173.24 174.26 1r3b s ALA 33 N -0.33 0.60 -0.16 5.45 0.00 -1.26 -5.14 121.76 120.92 1r3b s ALA 33 Ca 0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.79 1r3b s ALA 33 Cb -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1r3b s ALA 33 CO -0.07 -0.02 0.53 -0.08 0.00 0.00 0.00 175.76 176.12 1r3b s THR 34 N 0.92 0.01 0.15 0.00 -1.32 -1.26 -5.17 115.64 108.96 1r3b s THR 34 Ca -0.11 -0.06 -0.24 0.00 -1.21 0.00 0.00 61.69 60.08 1r3b s THR 34 Cb -0.14 -0.77 0.08 0.00 -1.51 0.00 0.00 72.50 70.16 1r3b s THR 34 CO -0.00 -0.03 1.08 -1.48 -2.21 0.00 0.00 174.62 171.97 1r3b s LEU 35 N -0.11 -0.02 0.00 9.08 0.05 -1.26 -5.14 118.68 121.28 1r3b s LEU 35 Ca -0.03 -0.56 0.00 0.00 0.05 0.00 0.00 54.13 53.59 1r3b s LEU 35 Cb -0.03 1.96 0.00 0.00 -2.05 0.00 0.00 46.19 46.06 1r3b s LEU 35 CO 0.02 -0.86 0.00 0.61 -0.55 0.00 0.00 176.35 175.58 1r3b n GLY 36 N -0.69 1.66 3.35 -3.48 0.00 -1.26 -5.18 105.19 99.60 1r3b n GLY 36 Ca -0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1r3b n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 37 N 0.00 -0.43 0.00 1.61 0.01 -1.26 -5.16 113.70 108.47 1r3b s SER 37 Ca 0.00 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1r3b s SER 37 Cb 0.00 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1r3b s SER 37 CO 0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1r3b n GLY 38 N 2.03 3.68 3.65 3.44 0.00 -1.26 -5.11 105.19 111.64 1r3b n GLY 38 Ca -0.17 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1r3b n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r3b s ASN 39 N 0.00 6.50 0.07 1.61 -0.87 -1.26 -4.89 114.94 116.09 1r3b s ASN 39 Ca 0.00 2.25 -0.16 0.00 -1.57 0.00 0.00 52.86 53.38 1r3b s ASN 39 Cb 0.00 -2.53 -0.15 0.00 -0.02 0.00 0.00 41.25 38.54 1r3b s ASN 39 CO 0.00 -1.07 1.29 0.25 -2.57 0.00 0.00 177.10 175.00 1r3b h LEU 40 N 10.82 0.71 -0.15 0.60 7.12 -1.99 -2.12 115.31 130.30 1r3b h LEU 40 Ca -0.41 -0.60 -0.04 0.00 0.13 0.00 0.00 57.88 56.96 1r3b h LEU 40 Cb 1.19 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.11 1r3b h LEU 40 CO 0.96 1.19 -0.05 0.03 -0.13 0.00 0.00 178.44 180.43 1r3b h ARG 41 N 0.27 0.30 -0.80 1.25 3.08 -2.00 -3.01 114.38 113.46 1r3b h ARG 41 Ca -0.02 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1r3b h ARG 41 Cb 1.13 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1r3b h ARG 41 CO 0.11 0.60 0.44 1.96 -1.07 0.00 0.00 179.97 182.01 1r3b h GLN 42 N -0.01 1.11 0.00 0.04 1.08 -1.87 -1.15 115.11 114.31 1r3b h GLN 42 Ca 0.04 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1r3b h GLN 42 Cb 0.49 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1r3b h GLN 42 CO 0.02 0.81 0.00 0.00 -0.95 0.00 0.00 178.83 178.71 1r3b h ALA 43 N 1.37 1.00 0.01 3.87 0.00 -1.32 -2.46 119.26 121.73 1r3b h ALA 43 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.90 1r3b h ALA 43 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1r3b h ALA 43 CO -0.05 0.00 -1.71 0.28 0.00 0.00 0.00 179.25 177.78 1r3b h VAL 44 N 0.00 0.86 -3.11 0.00 2.07 -1.08 -3.46 116.25 111.54 1r3b h VAL 44 Ca 0.00 -2.70 -0.67 0.00 0.82 0.00 0.00 66.70 64.16 1r3b h VAL 44 Cb 0.22 2.45 -0.34 0.00 -1.52 0.00 0.00 31.29 32.09 1r3b h VAL 44 CO 0.00 0.54 -0.85 -0.32 0.02 0.00 0.00 177.57 176.96 1r3b s MET 45 N -2.60 3.02 -0.29 1.57 0.00 -0.93 -4.88 119.30 115.20 1r3b s MET 45 Ca -0.06 -0.82 -0.40 0.00 0.00 0.00 0.00 55.69 54.41 1r3b s MET 45 Cb 0.08 -2.58 -0.16 0.00 0.00 0.00 0.00 34.83 32.17 1r3b s MET 45 CO 0.82 -0.18 1.75 -0.11 0.00 0.00 0.00 175.02 177.30 1r3b n LEU 46 N 4.54 2.37 -4.64 4.11 7.94 -1.26 -4.78 117.00 125.27 1r3b n LEU 46 Ca -0.21 1.08 -0.39 0.00 -1.11 0.00 0.00 56.01 55.38 1r3b n LEU 46 Cb 0.50 -1.13 0.03 0.00 0.53 0.00 0.00 43.42 43.35 1r3b n LEU 46 CO 0.26 -0.44 0.65 -0.81 -1.11 0.00 0.00 177.39 175.95 1r3b n PRO 47 N 5.37 1.27 -1.67 1.96 -0.04 -1.26 -4.85 135.00 135.78 1r3b n PRO 47 Ca 0.27 0.47 -0.43 0.00 -0.04 0.00 0.00 63.50 63.76 1r3b n PRO 47 Cb 0.12 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 1r3b n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1r3b n GLU 48 N -0.51 2.72 -0.70 0.54 4.71 -1.26 -3.32 120.64 122.82 1r3b n GLU 48 Ca 0.11 1.00 0.00 0.00 -0.01 0.00 0.00 57.16 58.26 1r3b n GLU 48 Cb 0.43 -2.93 0.00 0.00 -1.01 0.00 0.00 31.44 27.94 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1r3b n GLY 49 N 4.51 0.67 3.25 0.62 0.00 -1.26 -5.12 105.19 107.85 1r3b n GLY 49 Ca 0.20 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.61 0.95 0.18 1.61 0.41 -1.21 -5.15 118.70 113.87 1r3b s GLU 50 Ca 0.00 -1.04 -0.28 0.00 -0.41 0.00 0.00 54.97 53.24 1r3b s GLU 50 Cb 0.00 0.35 -0.08 0.00 -1.78 0.00 0.00 34.13 32.62 1r3b s GLU 50 CO 0.00 -0.32 0.88 0.34 -0.49 0.00 0.00 175.26 175.67 1r3b s ASP 51 N -2.90 7.51 0.01 -0.19 -1.08 -1.26 -5.00 116.67 113.76 1r3b s ASP 51 Ca 0.09 1.79 -0.25 0.00 -0.52 0.00 0.00 52.55 53.66 1r3b s ASP 51 Cb 0.04 -2.56 -0.14 0.00 -1.46 0.00 0.00 42.92 38.80 1r3b s ASP 51 CO -0.07 0.12 1.08 0.25 0.52 0.00 0.00 175.17 177.07 1r3b h LEU 52 N 4.58 -0.73 -1.91 -1.34 7.12 -2.00 -1.69 115.31 119.34 1r3b h LEU 52 Ca -0.45 0.00 0.33 0.00 0.13 0.00 0.00 57.88 57.89 1r3b h LEU 52 Cb 1.20 0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 41.47 1r3b h LEU 52 CO 0.68 -0.35 0.81 0.78 -0.13 0.00 0.00 178.44 180.23 1r3b h ASN 53 N -1.19 0.06 -0.02 1.25 2.35 -2.00 0.25 115.58 116.28 1r3b h ASN 53 Ca -0.09 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 1r3b h ASN 53 Cb 0.68 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.06 1r3b h ASN 53 CO 0.14 0.01 -0.39 -0.08 -1.65 0.00 0.00 177.43 175.47 1r3b h GLU 54 N 0.05 0.29 -0.41 0.81 4.81 -1.95 -3.04 114.58 115.14 1r3b h GLU 54 Ca 0.56 -0.29 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1r3b h GLU 54 Cb 2.12 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 31.49 1r3b h GLU 54 CO -0.05 0.98 -0.11 2.35 -0.73 0.00 0.00 179.01 181.45 1r3b h TRP 55 N -0.28 -0.24 -0.19 0.92 -0.00 0.43 0.42 115.95 117.01 1r3b h TRP 55 Ca -0.04 0.04 0.05 0.00 -0.00 0.00 0.00 58.89 58.93 1r3b h TRP 55 Cb 1.10 0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 30.39 1r3b h TRP 55 CO 0.16 -0.19 -0.10 0.82 -0.00 0.00 0.00 178.44 179.12 1r3b h ILE 56 N -0.01 0.68 -0.42 2.65 2.04 -1.42 -0.01 117.51 121.01 1r3b h ILE 56 Ca 0.20 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 1r3b h ILE 56 Cb 0.32 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1r3b h ILE 56 CO -0.43 0.00 0.12 0.00 0.00 0.00 0.00 178.15 177.84 1r3b h ALA 57 N 1.07 1.43 -0.45 1.87 0.00 -1.19 -1.28 119.26 120.71 1r3b h ALA 57 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1r3b h ALA 57 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1r3b h ALA 57 CO -0.25 0.42 0.13 0.28 0.00 0.00 0.00 179.25 179.83 1r3b h VAL 58 N 0.60 1.23 0.00 0.00 2.07 0.97 -2.99 116.25 118.13 1r3b h VAL 58 Ca 0.14 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 1r3b h VAL 58 Cb 0.20 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1r3b h VAL 58 CO -0.01 0.27 -0.59 0.78 0.02 0.00 0.00 177.57 178.04 1r3b h ASN 59 N 0.59 0.00 0.44 0.57 2.35 -0.74 -2.58 115.58 116.21 1r3b h ASN 59 Ca 0.14 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1r3b h ASN 59 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1r3b h ASN 59 CO -0.00 0.59 -0.21 0.74 -1.65 0.00 0.00 177.43 176.90 1r3b h THR 60 N 0.00 0.55 -0.13 2.81 2.02 -1.11 0.93 112.91 117.98 1r3b h THR 60 Ca -0.01 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1r3b h THR 60 Cb 1.23 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1r3b h THR 60 CO 0.08 0.05 -0.24 0.58 0.37 0.00 0.00 175.52 176.36 1r3b h VAL 61 N -0.76 1.23 0.02 3.16 2.07 -1.62 -0.47 116.25 119.88 1r3b h VAL 61 Ca -0.06 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1r3b h VAL 61 Cb 0.53 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1r3b h VAL 61 CO 0.10 0.32 -0.01 0.44 0.02 0.00 0.00 177.57 178.44 1r3b h ASP 62 N 0.20 -0.02 0.46 0.57 5.19 -1.27 -2.32 116.42 119.23 1r3b h ASP 62 Ca 0.03 -0.46 -0.02 0.00 -0.62 0.00 0.00 57.03 55.96 1r3b h ASP 62 Cb 0.54 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1r3b h ASP 62 CO 0.04 0.46 -0.27 -0.26 -3.12 0.00 0.00 179.24 176.09 1r3b h PHE 63 N -0.51 -0.70 -0.97 4.55 -1.00 0.11 0.31 116.94 118.72 1r3b h PHE 63 Ca -0.00 -0.01 0.23 0.00 2.81 0.00 0.00 57.97 60.99 1r3b h PHE 63 Cb 0.48 0.25 -0.08 0.00 3.61 0.00 0.00 35.95 40.21 1r3b h PHE 63 CO 0.09 -0.42 0.63 0.35 -1.61 0.00 0.00 178.31 177.36 1r3b h PHE 64 N -0.69 0.64 0.05 -0.55 3.04 -1.16 0.41 116.94 118.68 1r3b h PHE 64 Ca -0.05 0.02 -0.23 0.00 3.98 0.00 0.00 57.97 61.69 1r3b h PHE 64 Cb 0.55 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1r3b h PHE 64 CO -0.08 0.13 -1.03 -0.97 -2.02 0.00 0.00 178.31 174.33 1r3b h ASN 65 N 0.44 0.26 -0.17 0.41 -1.24 -0.80 -3.05 115.58 111.44 1r3b h ASN 65 Ca 0.53 -0.25 -0.19 0.00 0.71 0.00 0.00 56.30 57.09 1r3b h ASN 65 Cb 1.28 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 40.25 1r3b h ASN 65 CO -0.24 1.13 -0.65 1.56 -1.29 0.00 0.00 177.43 177.94 1r3b h GLN 66 N 0.08 0.74 -0.43 6.67 7.50 0.28 -2.53 115.11 127.41 1r3b h GLN 66 Ca -0.07 -0.57 -0.06 0.00 0.50 0.00 0.00 58.65 58.46 1r3b h GLN 66 Cb 1.73 0.11 -0.02 0.00 0.05 0.00 0.00 27.48 29.35 1r3b h GLN 66 CO 0.16 1.19 0.04 0.82 -1.50 0.00 0.00 178.83 179.53 1r3b h ILE 67 N 0.45 1.22 -0.02 2.54 2.04 -0.45 -2.42 117.51 120.87 1r3b h ILE 67 Ca -0.03 -0.85 -0.15 0.00 1.00 0.00 0.00 64.86 64.83 1r3b h ILE 67 Cb 1.28 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1r3b h ILE 67 CO 0.14 0.30 -0.67 -1.13 0.00 0.00 0.00 178.15 176.79 1r3b h ASN 68 N 0.65 0.11 -0.51 1.72 -0.73 -1.53 -2.83 115.58 112.46 1r3b h ASN 68 Ca 0.14 -0.07 -0.11 0.00 1.87 0.00 0.00 56.30 58.13 1r3b h ASN 68 Cb 0.35 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.89 1r3b h ASN 68 CO 0.01 0.74 -0.11 -0.03 -0.37 0.00 0.00 177.43 177.67 1r3b h MET 69 N 0.06 0.98 0.05 6.67 4.05 -0.99 -2.13 114.93 123.62 1r3b h MET 69 Ca -0.01 -0.37 -0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1r3b h MET 69 Cb 1.19 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1r3b h MET 69 CO 0.09 1.04 -0.02 -0.07 0.23 0.00 0.00 176.91 178.18 1r3b h LEU 70 N 0.85 -0.05 -2.73 3.39 -0.00 -1.43 -2.82 115.31 112.51 1r3b h LEU 70 Ca 0.13 -0.35 -0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1r3b h LEU 70 Cb 0.67 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1r3b h LEU 70 CO 0.05 0.32 -0.01 0.22 -0.00 0.00 0.00 178.44 179.03 1r3b h TYR 71 N -0.44 0.00 -0.29 1.13 5.03 -1.52 -1.87 116.97 119.01 1r3b h TYR 71 Ca -0.01 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 1r3b h TYR 71 Cb 0.40 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 1r3b h TYR 71 CO 0.05 0.01 -0.24 0.78 -1.32 0.00 0.00 178.16 177.43 1r3b h GLY 72 N 0.24 0.61 2.00 1.82 0.00 -1.11 1.18 103.07 107.81 1r3b h GLY 72 Ca -0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1r3b h GLY 72 CO 0.00 0.46 -0.37 0.00 0.00 0.00 0.00 176.54 176.64 1r3b h THR 73 N 0.50 0.79 -0.01 4.70 1.03 -1.35 -3.18 112.91 115.39 1r3b h THR 73 Ca 0.07 -1.59 0.00 0.00 -0.01 0.00 0.00 66.41 64.89 1r3b h THR 73 Cb 0.69 2.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 1r3b h THR 73 CO 0.05 0.36 -0.25 0.00 -0.01 0.00 0.00 175.52 175.67 1r3b n ILE 74 N -3.42 0.00 -0.17 0.00 0.00 -1.07 -4.55 119.36 110.15 1r3b n ILE 74 Ca 0.00 -0.37 0.27 0.00 0.00 0.00 0.00 62.75 62.65 1r3b n ILE 74 Cb 0.54 1.15 0.70 0.00 0.00 0.00 0.00 39.64 42.04 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 1.44 0.57 0.00 9.51 1.03 0.15 0.47 112.91 126.07 1r3b h THR 75 Ca 0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 66.41 66.35 1r3b h THR 75 Cb 0.43 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 68.04 1r3b h THR 75 CO 0.00 0.01 -0.18 1.05 -0.01 0.00 0.00 175.52 176.39 1r3b h GLU 76 N 0.04 0.00 -0.42 0.00 4.11 -1.80 -1.48 114.58 115.03 1r3b h GLU 76 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1r3b h GLU 76 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1r3b h GLU 76 CO -0.02 0.18 0.00 1.19 0.07 0.00 0.00 179.01 180.43 1r3b n PHE 77 N -3.97 0.56 -3.55 2.06 3.01 0.16 -4.85 117.46 110.87 1r3b n PHE 77 Ca -0.02 -0.28 -0.38 0.00 1.01 0.00 0.00 57.45 57.78 1r3b n PHE 77 Cb 0.26 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.63 1r3b n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r3b s THR 79 N 1.66 0.08 0.24 0.00 -4.23 -1.26 -5.01 115.64 107.13 1r3b s THR 79 Ca 0.09 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1r3b s THR 79 Cb -0.15 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1r3b s THR 79 CO 0.09 -0.37 0.00 -0.62 -0.54 0.00 0.00 174.62 173.19 1r3b n GLU 80 N -0.16 -2.08 -0.04 3.99 4.71 -1.26 -3.78 120.64 122.02 1r3b n GLU 80 Ca -0.06 1.37 0.09 0.00 -0.01 0.00 0.00 57.16 58.55 1r3b n GLU 80 Cb 0.63 -2.53 0.48 0.00 -1.01 0.00 0.00 31.44 29.01 1r3b n GLU 80 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1r3b h SER 81 N -0.95 0.39 0.00 1.62 0.87 -1.97 -3.44 113.55 110.07 1r3b h SER 81 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1r3b h SER 81 Cb 0.94 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1r3b h SER 81 CO 0.01 0.25 0.00 0.41 -0.53 0.00 0.00 176.83 176.97 1r3b n THR 82 N -4.47 0.00 -0.23 2.23 -1.04 -1.25 -4.49 114.28 105.03 1r3b n THR 82 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1r3b n THR 82 Cb 0.26 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r3b n SER 84 N -3.95 0.00 -0.03 0.00 2.88 -1.26 -3.04 113.62 108.21 1r3b n SER 84 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1r3b n SER 84 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.00 0.40 -2.12 2.46 3.14 -1.26 -5.02 118.33 115.93 1r3b n VAL 85 Ca 0.00 -0.22 -0.41 0.00 -2.96 0.00 0.00 64.34 60.75 1r3b n VAL 85 Cb 0.00 -0.83 -0.02 0.00 -1.06 0.00 0.00 33.84 31.93 1r3b n VAL 85 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1r3b s MET 86 N -2.14 4.36 -0.38 1.45 1.00 -1.17 -4.98 119.30 117.44 1r3b s MET 86 Ca -0.04 2.21 -0.20 0.00 0.00 0.00 0.00 55.69 57.66 1r3b s MET 86 Cb 0.02 -3.08 0.01 0.00 0.00 0.00 0.00 34.83 31.78 1r3b s MET 86 CO 0.22 -0.19 0.60 0.45 0.00 0.00 0.00 175.02 176.10 1r3b s SER 87 N -0.45 6.36 -0.06 3.03 0.15 -1.26 -4.51 113.70 116.96 1r3b s SER 87 Ca 0.49 -0.07 -0.02 0.00 0.70 0.00 0.00 55.95 57.05 1r3b s SER 87 Cb -0.40 -2.30 0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1r3b s SER 87 CO 0.52 -0.62 0.05 0.00 1.20 0.00 0.00 173.24 174.40 1r3b s ALA 88 N 2.64 0.34 0.00 5.45 0.00 -1.26 -4.92 121.76 124.00 1r3b s ALA 88 Ca 0.22 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1r3b s ALA 88 Cb -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1r3b s ALA 88 CO 0.16 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1r3b n GLY 89 N 5.27 2.35 2.67 0.00 0.00 -1.26 -4.05 105.19 110.17 1r3b n GLY 89 Ca -0.04 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1r3b n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r3b n PRO 90 N 13.06 2.18 -3.82 1.61 -0.04 -1.26 -4.80 135.00 141.93 1r3b n PRO 90 Ca 0.00 -1.65 -0.18 0.00 -0.04 0.00 0.00 63.50 61.63 1r3b n PRO 90 Cb 0.00 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.80 1r3b n PRO 90 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r3b n ARG 91 N 4.72 0.52 -4.04 0.54 5.12 -1.26 -5.14 116.66 117.12 1r3b n ARG 91 Ca 0.49 -2.65 -0.33 0.00 -1.93 0.00 0.00 57.85 53.43 1r3b n ARG 91 Cb 0.20 1.72 -0.15 0.00 -1.16 0.00 0.00 32.46 33.07 1r3b n ARG 91 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1r3b s TYR 92 N -2.87 3.22 0.57 -1.55 5.04 -1.26 -4.89 117.35 115.62 1r3b s TYR 92 Ca 0.22 -2.14 -0.06 0.00 -2.44 0.00 0.00 57.07 52.65 1r3b s TYR 92 Cb 0.01 -1.97 -0.01 0.00 0.35 0.00 0.00 41.96 40.34 1r3b s TYR 92 CO 0.16 -0.85 0.89 -2.00 -1.34 0.00 0.00 175.55 172.41 1r3b s GLU 93 N 1.16 3.12 0.04 4.97 2.12 -1.26 -4.69 118.70 124.15 1r3b s GLU 93 Ca -0.07 0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 1r3b s GLU 93 Cb -0.19 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 1r3b s GLU 93 CO -0.05 -0.59 -0.02 1.52 -0.54 0.00 0.00 175.26 175.58 1r3b s TYR 94 N -2.97 0.38 0.36 5.30 1.13 -1.26 -5.09 117.35 115.20 1r3b s TYR 94 Ca 0.53 -0.79 0.03 0.00 -1.41 0.00 0.00 57.07 55.42 1r3b s TYR 94 Cb -0.11 -0.28 -0.01 0.00 -1.10 0.00 0.00 41.96 40.46 1r3b s TYR 94 CO 0.46 -0.29 0.10 0.72 -2.51 0.00 0.00 175.55 174.03 1r3b n HIS 95 N 0.84 0.30 -2.36 -3.49 8.25 -1.26 -5.13 115.22 112.37 1r3b n HIS 95 Ca -0.19 -2.17 -0.24 0.00 -0.26 0.00 0.00 57.72 54.86 1r3b n HIS 95 Cb 0.58 -0.06 0.07 0.00 1.12 0.00 0.00 29.99 31.70 1r3b n HIS 95 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1r3b s TRP 96 N -2.77 2.61 -0.47 4.41 0.23 -1.26 -5.08 118.94 116.62 1r3b s TRP 96 Ca 0.14 0.20 0.06 0.00 -2.03 0.00 0.00 56.10 54.46 1r3b s TRP 96 Cb 0.01 -3.10 0.19 0.00 0.03 0.00 0.00 33.47 30.59 1r3b s TRP 96 CO 0.10 -1.39 0.56 0.00 0.96 0.00 0.00 176.95 177.18 1r3b n ALA 97 N -2.80 0.36 -3.73 0.98 0.00 -1.26 -5.12 120.51 108.95 1r3b n ALA 97 Ca 0.10 -2.04 -0.16 0.00 0.00 0.00 0.00 53.44 51.34 1r3b n ALA 97 Cb 0.60 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.75 1r3b n ALA 97 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1r3b s ASP 98 N 0.33 0.32 0.00 0.00 -4.77 -1.26 -5.10 116.67 106.19 1r3b s ASP 98 Ca 0.32 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.72 1r3b s ASP 98 Cb 0.03 0.03 0.00 0.00 -1.09 0.00 0.00 42.92 41.90 1r3b s ASP 98 CO -0.13 -0.17 0.00 0.61 0.70 0.00 0.00 175.17 176.18 1r3b n GLY 99 N 4.57 -0.30 0.68 2.12 0.00 -1.26 -4.65 105.19 106.35 1r3b n GLY 99 Ca -0.20 -1.15 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 1r3b n GLY 99 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r3b n THR 100 N 0.00 0.43 -3.92 2.61 -2.24 -1.26 -5.08 114.28 104.82 1r3b n THR 100 Ca 0.00 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1r3b n THR 100 Cb 0.00 -1.51 -0.10 0.00 -2.10 0.00 0.00 70.33 66.62 1r3b n THR 100 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r3b s ASN 101 N -5.60 0.14 -0.43 3.42 3.84 -1.26 -5.12 114.94 109.93 1r3b s ASN 101 Ca -0.11 -0.41 0.05 0.00 0.21 0.00 0.00 52.86 52.61 1r3b s ASN 101 Cb 0.04 0.18 0.17 0.00 -0.55 0.00 0.00 41.25 41.09 1r3b s ASN 101 CO 0.14 -0.40 0.53 0.27 -2.79 0.00 0.00 177.10 174.85 1r3b s ILE 102 N -1.82 -0.55 0.42 -5.21 -4.36 -1.26 -5.12 121.20 103.30 1r3b s ILE 102 Ca -0.12 -1.10 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 1r3b s ILE 102 Cb -0.06 -0.44 0.00 0.00 1.25 0.00 0.00 42.46 43.21 1r3b s ILE 102 CO -0.01 -0.41 0.00 0.29 0.24 0.00 0.00 174.94 175.05 1r3b n LYS 103 N 3.63 -2.94 -2.12 0.37 5.02 -1.26 -4.88 118.16 115.97 1r3b n LYS 103 Ca 0.17 2.12 -0.28 0.00 -2.02 0.00 0.00 58.31 58.29 1r3b n LYS 103 Cb 0.51 -3.54 0.05 0.00 -0.02 0.00 0.00 35.03 32.03 1r3b n LYS 103 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1r3b s LYS 104 N -2.86 2.65 0.15 1.97 1.02 -1.26 -5.01 119.74 116.40 1r3b s LYS 104 Ca 0.00 0.13 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 1r3b s LYS 104 Cb 0.00 -2.13 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 1r3b s LYS 104 CO 0.00 -1.02 1.59 -1.25 -0.92 0.00 0.00 175.35 173.75 1r3b s PRO 105 N -5.24 4.21 0.02 -1.68 0.04 -1.26 -5.01 135.00 126.07 1r3b s PRO 105 Ca 0.57 2.36 0.07 0.00 0.04 0.00 0.00 61.00 64.05 1r3b s PRO 105 Cb -0.11 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1r3b s PRO 105 CO 0.48 -0.64 -0.20 0.42 0.04 0.00 0.00 177.00 177.10 1r3b s ILE 106 N 1.46 2.61 -0.23 0.56 -1.09 -1.26 -5.08 121.20 118.17 1r3b s ILE 106 Ca 0.71 -1.14 -0.29 0.00 -2.23 0.00 0.00 60.65 57.70 1r3b s ILE 106 Cb -0.43 -2.05 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 1r3b s ILE 106 CO 0.31 0.42 1.79 -0.54 -1.23 0.00 0.00 174.94 175.69 1r3b s LYS 107 N -1.18 3.58 -0.29 2.79 1.02 -1.26 -4.97 119.74 119.44 1r3b s LYS 107 Ca 0.13 1.71 -0.10 0.00 0.02 0.00 0.00 55.97 57.73 1r3b s LYS 107 Cb -0.10 -4.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.04 1r3b s LYS 107 CO 0.03 -1.56 0.15 0.00 -0.92 0.00 0.00 175.35 173.05 1r3b n SER 109 N 5.01 0.60 0.31 0.00 7.64 -1.26 -4.79 113.62 121.13 1r3b n SER 109 Ca -0.14 -1.44 -0.15 0.00 1.01 0.00 0.00 58.87 58.15 1r3b n SER 109 Cb 0.51 -0.12 -0.08 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.35 -1.17 0.00 -0.43 0.00 -1.94 0.73 119.26 116.81 1r3b h ALA 110 Ca -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1r3b h ALA 110 Cb 0.36 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1r3b h ALA 110 CO 0.11 -1.14 -0.09 -1.00 0.00 0.00 0.00 179.25 177.13 1r3b h PRO 111 N -0.90 0.00 0.07 0.00 0.13 -1.95 -2.51 132.00 126.84 1r3b h PRO 111 Ca -0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.79 1r3b h PRO 111 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1r3b h PRO 111 CO 0.06 0.09 -1.27 -0.22 -0.23 0.00 0.00 178.00 176.43 1r3b h LYS 112 N 0.00 0.14 -0.36 0.86 3.64 -1.87 -3.33 116.57 115.65 1r3b h LYS 112 Ca -0.00 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1r3b h LYS 112 Cb 0.29 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1r3b h LYS 112 CO 0.01 1.04 0.08 -0.92 -2.27 0.00 0.00 179.45 177.39 1r3b h TYR 113 N 0.04 0.13 -0.23 1.91 5.03 0.95 -2.04 116.97 122.76 1r3b h TYR 113 Ca -0.13 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.26 1r3b h TYR 113 Cb 1.91 -0.00 -0.06 0.00 1.55 0.00 0.00 36.73 40.13 1r3b h TYR 113 CO 0.03 0.03 -0.12 0.82 -1.32 0.00 0.00 178.16 177.60 1r3b h ILE 114 N 0.20 0.62 -1.00 1.81 5.03 -1.68 0.14 117.51 122.64 1r3b h ILE 114 Ca 0.17 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 65.10 1r3b h ILE 114 Cb 0.19 0.62 -0.10 0.00 -3.03 0.00 0.00 36.82 34.50 1r3b h ILE 114 CO -0.22 0.00 0.61 -0.78 -0.68 0.00 0.00 178.15 177.09 1r3b h ASP 115 N -0.10 0.76 0.02 1.72 1.82 -1.55 0.43 116.42 119.52 1r3b h ASP 115 Ca 0.13 0.09 -0.14 0.00 -0.39 0.00 0.00 57.03 56.71 1r3b h ASP 115 Cb 0.29 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 1r3b h ASP 115 CO -0.30 0.28 -0.46 1.88 -1.61 0.00 0.00 179.24 179.04 1r3b h TYR 116 N 0.75 0.62 0.12 0.28 -1.99 -0.40 0.39 116.97 116.75 1r3b h TYR 116 Ca 0.56 -0.19 -0.01 0.00 2.00 0.00 0.00 58.73 61.09 1r3b h TYR 116 Cb 0.90 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1r3b h TYR 116 CO -0.00 0.88 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.91 1r3b h LEU 117 N 0.41 -0.14 -0.62 3.88 -0.00 0.24 -0.43 115.31 118.65 1r3b h LEU 117 Ca 0.03 -0.14 -0.15 0.00 -0.00 0.00 0.00 57.88 57.62 1r3b h LEU 117 Cb 0.96 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.64 1r3b h LEU 117 CO 0.09 0.06 -0.67 0.24 -0.00 0.00 0.00 178.44 178.15 1r3b h MET 118 N -0.34 0.09 0.64 1.13 2.86 -0.81 -3.12 114.93 115.39 1r3b h MET 118 Ca -0.02 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1r3b h MET 118 Cb 0.27 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.95 1r3b h MET 118 CO 0.03 0.73 -0.31 1.15 1.06 0.00 0.00 176.91 179.57 1r3b h THR 119 N 0.07 0.29 -1.00 2.22 2.02 -0.07 0.28 112.91 116.71 1r3b h THR 119 Ca -0.01 -0.20 0.20 0.00 0.77 0.00 0.00 66.41 67.17 1r3b h THR 119 Cb 1.19 0.35 -0.11 0.00 -1.74 0.00 0.00 68.15 67.85 1r3b h THR 119 CO 0.09 0.02 0.61 -0.25 0.37 0.00 0.00 175.52 176.37 1r3b h TRP 120 N -1.01 1.02 -0.03 3.16 7.01 -1.14 0.51 115.95 125.46 1r3b h TRP 120 Ca -0.09 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 1r3b h TRP 120 Cb 0.70 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1r3b h TRP 120 CO -0.01 0.20 -0.09 0.28 -2.79 0.00 0.00 178.44 176.04 1r3b h VAL 121 N 0.71 1.46 0.00 2.65 2.07 -1.46 -3.14 116.25 118.53 1r3b h VAL 121 Ca 0.58 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1r3b h VAL 121 Cb 0.98 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1r3b h VAL 121 CO -0.38 0.40 -0.01 -0.61 0.02 0.00 0.00 177.57 177.00 1r3b h GLN 122 N -0.44 0.00 -0.17 1.57 4.15 0.82 -2.36 115.11 118.69 1r3b h GLN 122 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1r3b h GLN 122 Cb 0.70 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 1r3b h GLN 122 CO 0.02 0.01 -0.02 0.22 -1.93 0.00 0.00 178.83 177.13 1r3b h ASP 123 N 0.00 -0.10 -0.48 -0.69 3.58 0.01 -0.36 116.42 118.37 1r3b h ASP 123 Ca -0.00 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 1r3b h ASP 123 Cb 0.01 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1r3b h ASP 123 CO 0.00 -0.03 -0.01 1.56 -2.88 0.00 0.00 179.24 177.88 1r3b h GLN 124 N 0.03 0.86 0.00 0.28 4.20 -1.48 0.39 115.11 119.39 1r3b h GLN 124 Ca 0.08 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1r3b h GLN 124 Cb 0.11 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1r3b h GLN 124 CO -0.15 0.91 0.04 -0.07 -0.67 0.00 0.00 178.83 178.88 1r3b h LEU 125 N 0.72 0.00 -1.76 1.46 4.07 -0.94 -0.37 115.31 118.48 1r3b h LEU 125 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1r3b h LEU 125 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1r3b h LEU 125 CO 0.03 0.00 0.00 -0.67 -1.08 0.00 0.00 178.44 176.72 1r3b n ASP 126 N -2.79 1.64 -3.90 -0.43 2.03 -0.19 -4.87 116.55 108.03 1r3b n ASP 126 Ca -0.02 -1.44 -0.30 0.00 0.52 0.00 0.00 54.79 53.55 1r3b n ASP 126 Cb 0.09 -0.03 -0.14 0.00 -0.72 0.00 0.00 41.12 40.33 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1r3b s ASP 127 N -0.54 4.19 -0.43 1.67 1.11 0.13 -5.01 116.67 117.79 1r3b s ASP 127 Ca 0.05 -2.85 -0.26 0.00 0.18 0.00 0.00 52.55 49.67 1r3b s ASP 127 Cb 0.03 -1.50 -0.26 0.00 1.07 0.00 0.00 42.92 42.27 1r3b s ASP 127 CO 0.05 -0.25 1.78 1.21 1.18 0.00 0.00 175.17 179.13 1r3b n GLU 128 N 3.31 0.84 0.00 8.23 2.13 -1.26 -2.87 120.64 131.01 1r3b n GLU 128 Ca 0.06 -1.48 0.00 0.00 0.66 0.00 0.00 57.16 56.40 1r3b n GLU 128 Cb 0.33 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.30 1r3b n GLU 128 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1r3b n THR 129 N 6.45 0.00 0.67 6.31 -2.24 -1.26 -4.86 114.28 119.36 1r3b n THR 129 Ca 0.48 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.37 1r3b n THR 129 Cb 0.41 -0.16 0.44 0.00 -2.10 0.00 0.00 70.33 68.92 1r3b n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n LEU 130 N -2.48 0.09 -4.61 3.22 -0.00 -1.14 -4.78 117.00 107.30 1r3b n LEU 130 Ca 0.00 0.52 -0.23 0.00 -0.00 0.00 0.00 56.01 56.29 1r3b n LEU 130 Cb 0.00 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 42.85 1r3b n LEU 130 CO 0.00 -0.18 -0.35 -0.36 -0.00 0.00 0.00 177.39 176.50 1r3b s PHE 131 N -3.03 2.62 0.00 1.47 0.40 -1.26 -4.81 117.98 113.37 1r3b s PHE 131 Ca 0.09 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1r3b s PHE 131 Cb 0.13 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.49 1r3b s PHE 131 CO 0.38 0.63 0.74 -0.35 0.70 0.00 0.00 175.22 177.32 1r3b n PRO 132 N -0.85 0.00 0.00 0.24 -0.04 -1.26 -4.79 135.00 128.30 1r3b n PRO 132 Ca -0.06 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1r3b n PRO 132 Cb 0.59 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1r3b n PRO 132 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1r3b n SER 133 N -1.24 0.00 -4.45 3.54 2.88 -1.26 -4.71 113.62 108.38 1r3b n SER 133 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1r3b n SER 133 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1r3b n SER 133 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1r3b s LYS 134 N 0.00 1.61 0.68 -1.46 1.02 -1.26 -5.12 119.74 115.21 1r3b s LYS 134 Ca 0.00 -1.81 -0.17 0.00 0.02 0.00 0.00 55.97 54.01 1r3b s LYS 134 Cb 0.00 -1.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.98 1r3b s LYS 134 CO 0.00 0.09 1.00 1.51 -0.92 0.00 0.00 175.35 177.03 1r3b n ILE 135 N -0.62 3.30 0.00 2.17 3.06 -1.26 -3.79 119.36 122.21 1r3b n ILE 135 Ca -0.05 -0.42 0.00 0.00 -2.50 0.00 0.00 62.75 59.78 1r3b n ILE 135 Cb 0.63 -1.15 0.00 0.00 0.54 0.00 0.00 39.64 39.66 1r3b n ILE 135 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1r3b n GLY 136 N 1.13 1.31 3.86 4.50 0.00 -1.26 -5.09 105.19 109.64 1r3b n GLY 136 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1r3b n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r3b s VAL 137 N -1.59 5.47 -0.21 1.61 1.01 -1.25 -5.04 120.40 120.40 1r3b s VAL 137 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1r3b s VAL 137 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1r3b s VAL 137 CO 0.00 0.60 1.90 -2.16 0.00 0.00 0.00 175.10 175.44 1r3b s PRO 138 N -0.85 3.52 -0.13 2.72 0.04 -1.26 -4.89 135.00 134.14 1r3b s PRO 138 Ca 0.14 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 1r3b s PRO 138 Cb -0.12 -4.20 -0.26 0.00 0.04 0.00 0.00 34.50 29.96 1r3b s PRO 138 CO 0.03 -1.65 0.77 0.74 0.04 0.00 0.00 177.00 176.94 1r3b h PHE 139 N 12.63 0.05 -0.12 0.56 0.04 -1.96 -2.14 116.94 126.00 1r3b h PHE 139 Ca -0.38 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1r3b h PHE 139 Cb 1.20 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1r3b h PHE 139 CO 0.94 1.04 0.00 -0.35 -0.60 0.00 0.00 178.31 179.33 1r3b n PRO 140 N -4.56 1.36 0.00 1.51 -0.04 -1.26 -1.60 135.00 130.41 1r3b n PRO 140 Ca -0.11 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1r3b n PRO 140 Cb 0.51 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.09 0.00 0.35 0.54 5.02 -1.25 -4.68 118.16 118.05 1r3b n LYS 141 Ca 0.04 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.18 1r3b n LYS 141 Cb 0.16 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.10 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1r3b h ASN 142 N 0.00 -0.77 -0.55 4.39 -1.24 -1.74 0.13 115.58 115.80 1r3b h ASN 142 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.12 1r3b h ASN 142 Cb 0.00 0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.22 1r3b h ASN 142 CO 0.00 -0.41 0.37 0.15 -1.29 0.00 0.00 177.43 176.26 1r3b h PHE 143 N -1.18 0.32 0.20 0.67 3.57 -1.47 0.68 116.94 119.73 1r3b h PHE 143 Ca -0.09 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1r3b h PHE 143 Cb 0.72 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1r3b h PHE 143 CO 0.00 0.15 -0.10 1.98 -2.23 0.00 0.00 178.31 178.11 1r3b h MET 144 N 0.30 -0.26 -0.69 1.11 4.05 -1.20 0.59 114.93 118.82 1r3b h MET 144 Ca 0.25 0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.63 1r3b h MET 144 Cb 0.61 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 1r3b h MET 144 CO -0.06 0.12 0.18 1.03 0.23 0.00 0.00 176.91 178.41 1r3b h SER 145 N -0.88 1.02 -0.09 1.39 0.87 -0.33 0.35 113.55 115.89 1r3b h SER 145 Ca -0.03 -0.20 -0.16 0.00 -1.23 0.00 0.00 61.79 60.17 1r3b h SER 145 Cb 0.51 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1r3b h SER 145 CO 0.05 0.97 -0.49 0.58 -0.53 0.00 0.00 176.83 177.41 1r3b h VAL 146 N 1.03 1.30 -0.26 2.23 2.07 0.28 -2.78 116.25 120.12 1r3b h VAL 146 Ca 0.22 -1.70 -0.15 0.00 0.82 0.00 0.00 66.70 65.89 1r3b h VAL 146 Cb 0.34 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1r3b h VAL 146 CO -0.00 0.54 -0.43 0.00 0.02 0.00 0.00 177.57 177.70 1r3b h ALA 147 N 0.93 0.40 -0.03 1.67 0.00 -0.61 -3.04 119.26 118.58 1r3b h ALA 147 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1r3b h ALA 147 Cb 1.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1r3b h ALA 147 CO 0.10 0.53 -0.05 -0.22 0.00 0.00 0.00 179.25 179.61 1r3b h LYS 148 N 0.49 0.04 -0.21 0.00 3.11 -0.92 -1.66 116.57 117.42 1r3b h LYS 148 Ca 0.02 -0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.78 1r3b h LYS 148 Cb 1.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 1r3b h LYS 148 CO 0.10 0.09 -0.18 1.15 -2.81 0.00 0.00 179.45 177.80 1r3b h THR 149 N 0.04 1.23 0.05 1.00 2.02 -1.37 -1.89 112.91 113.99 1r3b h THR 149 Ca 0.01 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1r3b h THR 149 Cb 0.11 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1r3b h THR 149 CO 0.01 0.33 -0.03 0.40 0.37 0.00 0.00 175.52 176.60 1r3b h ILE 150 N 0.33 1.20 -0.03 3.11 2.04 -1.33 -2.99 117.51 119.85 1r3b h ILE 150 Ca 0.06 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.32 1r3b h ILE 150 Cb 0.51 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1r3b h ILE 150 CO 0.03 0.36 0.02 0.17 0.00 0.00 0.00 178.15 178.73 1r3b h LEU 151 N -0.88 0.00 0.04 1.44 8.10 -1.48 0.48 115.31 123.00 1r3b h LEU 151 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1r3b h LEU 151 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1r3b h LEU 151 CO 0.01 0.00 -0.02 0.11 -4.11 0.00 0.00 178.44 174.43 1r3b h LYS 152 N 0.00 -0.05 0.00 0.17 1.57 -1.41 -2.76 116.57 114.09 1r3b h LYS 152 Ca 0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1r3b h LYS 152 Cb 0.05 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1r3b h LYS 152 CO -0.00 0.41 -0.68 0.07 -0.57 0.00 0.00 179.45 178.69 1r3b h ARG 153 N -0.53 0.00 0.05 3.15 0.11 -1.31 -3.25 114.38 112.61 1r3b h ARG 153 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1r3b h ARG 153 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1r3b h ARG 153 CO 0.01 0.68 -0.03 -0.07 0.10 0.00 0.00 179.97 180.66 1r3b h LEU 154 N 0.00 -0.06 -1.55 0.08 3.38 -0.08 -2.71 115.31 114.37 1r3b h LEU 154 Ca -0.01 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1r3b h LEU 154 Cb 1.28 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1r3b h LEU 154 CO 0.09 0.06 0.38 0.15 0.09 0.00 0.00 178.44 179.20 1r3b h PHE 155 N -0.18 0.56 -0.13 1.13 3.57 -1.56 -0.80 116.94 119.54 1r3b h PHE 155 Ca -0.01 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1r3b h PHE 155 Cb 0.15 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1r3b h PHE 155 CO -0.04 0.31 0.10 -0.09 -2.23 0.00 0.00 178.31 176.36 1r3b h ARG 156 N 0.56 0.00 0.56 1.11 9.65 -1.51 -2.72 114.38 122.03 1r3b h ARG 156 Ca 0.24 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.09 1r3b h ARG 156 Cb 0.24 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1r3b h ARG 156 CO -0.07 0.00 -0.27 0.28 2.80 0.00 0.00 179.97 182.71 1r3b h VAL 157 N 0.00 0.45 -0.62 0.20 2.07 -1.09 -2.47 116.25 114.78 1r3b h VAL 157 Ca 0.06 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1r3b h VAL 157 Cb 0.26 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1r3b h VAL 157 CO -0.00 0.01 0.24 1.88 0.02 0.00 0.00 177.57 179.71 1r3b h TYR 158 N -0.79 0.41 -0.64 1.57 -1.99 -1.60 -2.02 116.97 111.92 1r3b h TYR 158 Ca -0.08 0.03 0.11 0.00 2.00 0.00 0.00 58.73 60.80 1r3b h TYR 158 Cb 0.59 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 39.15 1r3b h TYR 158 CO -0.03 0.10 0.21 0.00 -0.00 0.00 0.00 178.16 178.44 1r3b h ALA 159 N 1.42 0.82 -0.22 3.88 0.00 -1.36 0.50 119.26 124.30 1r3b h ALA 159 Ca 0.31 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 55.15 1r3b h ALA 159 Cb 0.38 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1r3b h ALA 159 CO -0.31 -0.24 -0.58 1.12 0.00 0.00 0.00 179.25 179.25 1r3b h HIS 160 N 0.36 0.87 -0.03 0.00 2.07 -0.92 -3.13 115.15 114.37 1r3b h HIS 160 Ca 0.34 -0.32 -0.24 0.00 -2.85 0.00 0.00 60.37 57.29 1r3b h HIS 160 Cb 0.47 -0.16 0.01 0.00 2.57 0.00 0.00 27.41 30.30 1r3b h HIS 160 CO -0.20 1.10 -0.95 -0.84 -3.07 0.00 0.00 177.93 173.97 1r3b h ILE 161 N 0.52 1.32 0.13 6.12 3.07 -0.81 -2.81 117.51 125.04 1r3b h ILE 161 Ca 0.00 -2.24 0.01 0.00 1.55 0.00 0.00 64.86 64.18 1r3b h ILE 161 Cb 1.15 2.30 -0.02 0.00 -0.27 0.00 0.00 36.82 39.98 1r3b h ILE 161 CO 0.12 0.69 -0.18 0.22 -1.05 0.00 0.00 178.15 177.95 1r3b h TYR 162 N 0.37 -0.47 0.00 0.16 5.03 -0.08 0.88 116.97 122.87 1r3b h TYR 162 Ca -0.10 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1r3b h TYR 162 Cb 1.59 0.19 0.00 0.00 1.55 0.00 0.00 36.73 40.06 1r3b h TYR 162 CO 0.09 -0.27 0.00 0.45 -1.32 0.00 0.00 178.16 177.11 1r3b h HIS 163 N -0.36 0.00 0.00 -3.82 3.86 -1.66 -3.16 115.15 110.01 1r3b h HIS 163 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1r3b h HIS 163 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1r3b h HIS 163 CO -0.17 0.00 -0.68 1.04 0.86 0.00 0.00 177.93 178.99 1r3b n GLN 164 N -2.59 0.42 -3.03 2.45 1.13 -0.80 -4.76 117.38 110.19 1r3b n GLN 164 Ca 0.02 0.29 -0.34 0.00 -1.94 0.00 0.00 57.00 55.04 1r3b n GLN 164 Cb 0.31 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 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 -4.17 3.26 -0.08 1.08 -0.00 0.30 -4.82 115.22 110.80 1r3b n HIS 165 Ca -0.10 -3.42 -0.12 0.00 -0.00 0.00 0.00 57.72 54.09 1r3b n HIS 165 Cb 0.35 -0.83 -0.05 0.00 -0.00 0.00 0.00 29.99 29.46 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 4.14 0.56 -0.75 4.41 3.04 -1.66 -3.07 116.94 123.61 1r3b h PHE 166 Ca 0.25 -0.14 0.05 0.00 3.98 0.00 0.00 57.97 62.11 1r3b h PHE 166 Cb 0.53 -0.13 -0.05 0.00 2.56 0.00 0.00 35.95 38.87 1r3b h PHE 166 CO 0.95 0.76 0.49 0.22 -2.02 0.00 0.00 178.31 178.72 1r3b h ASP 167 N 0.20 0.74 -0.54 0.41 3.58 -1.90 -1.19 116.42 117.72 1r3b h ASP 167 Ca 0.05 -0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.62 1r3b h ASP 167 Cb 0.62 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1r3b h ASP 167 CO 0.03 0.49 0.38 0.00 -2.88 0.00 0.00 179.24 177.26 1r3b h ALA 168 N 1.58 2.25 0.28 -0.78 0.00 -1.92 0.44 119.26 121.11 1r3b h ALA 168 Ca 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1r3b h ALA 168 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r3b h ALA 168 CO -0.10 -0.39 -0.14 0.28 0.00 0.00 0.00 179.25 178.90 1r3b h VAL 169 N 0.19 0.75 -0.13 0.00 2.07 -1.27 -2.89 116.25 114.97 1r3b h VAL 169 Ca 0.26 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 1r3b h VAL 169 Cb 0.76 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1r3b h VAL 169 CO -0.04 0.05 -0.65 0.24 0.02 0.00 0.00 177.57 177.19 1r3b h MET 170 N -0.51 0.49 -0.29 1.57 2.07 -1.43 -3.05 114.93 113.79 1r3b h MET 170 Ca -0.04 -0.36 0.08 0.00 -2.07 0.00 0.00 59.70 57.32 1r3b h MET 170 Cb 0.38 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.16 1r3b h MET 170 CO 0.06 0.98 0.37 0.37 1.07 0.00 0.00 176.91 179.76 1r3b h GLN 171 N 0.36 0.00 -0.04 1.72 -0.00 -0.09 0.50 115.11 117.56 1r3b h GLN 171 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1r3b h GLN 171 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.69 1r3b h GLN 171 CO 0.12 0.00 0.00 1.28 0.00 0.00 0.00 178.83 180.23 1r3b n LEU 172 N -3.58 0.35 -2.11 -2.39 4.77 -1.10 -4.88 117.00 108.06 1r3b n LEU 172 Ca 0.04 -0.15 -0.17 0.00 -0.03 0.00 0.00 56.01 55.70 1r3b n LEU 172 Cb 0.51 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1r3b n LEU 172 CO 0.25 0.07 -0.13 1.67 -1.33 0.00 0.00 177.39 177.92 1r3b n GLN 173 N -0.54 -2.33 -3.13 3.23 0.00 0.17 -4.96 117.38 109.83 1r3b n GLN 173 Ca 0.14 0.78 0.04 0.00 -0.00 0.00 0.00 57.00 57.95 1r3b n GLN 173 Cb 0.12 -5.22 -0.00 0.00 0.00 0.00 0.00 30.24 25.13 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1r3b s GLU 174 N -5.07 0.41 -0.03 3.69 2.02 -1.25 -5.01 118.70 113.46 1r3b s GLU 174 Ca 0.09 0.26 0.11 0.00 0.02 0.00 0.00 54.97 55.46 1r3b s GLU 174 Cb -0.04 0.15 0.37 0.00 0.10 0.00 0.00 34.13 34.71 1r3b s GLU 174 CO 0.12 -0.72 1.27 -1.91 0.02 0.00 0.00 175.26 174.03 1r3b n GLU 175 N 5.05 2.16 0.02 1.61 2.13 -1.26 -3.88 120.64 126.47 1r3b n GLU 175 Ca 0.07 -1.49 -0.05 0.00 0.66 0.00 0.00 57.16 56.35 1r3b n GLU 175 Cb 0.56 -1.43 -0.10 0.00 0.27 0.00 0.00 31.44 30.74 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1r3b h ALA 176 N 3.61 0.67 -0.29 4.31 0.00 -1.95 -3.34 119.26 122.27 1r3b h ALA 176 Ca 0.00 -1.10 0.08 0.00 0.00 0.00 0.00 54.91 53.89 1r3b h ALA 176 Cb 0.69 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1r3b h ALA 176 CO 0.05 1.24 0.22 0.45 0.00 0.00 0.00 179.25 181.21 1r3b h HIS 177 N 0.00 0.00 0.00 0.00 3.86 -1.95 0.46 115.15 117.52 1r3b h HIS 177 Ca -0.18 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1r3b h HIS 177 Cb 1.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.25 1r3b h HIS 177 CO 0.00 0.00 -0.01 -0.07 0.86 0.00 0.00 177.93 178.71 1r3b h LEU 178 N 0.00 0.01 -0.56 2.43 -0.00 -1.84 -2.70 115.31 112.65 1r3b h LEU 178 Ca 0.14 -0.89 -0.08 0.00 -0.00 0.00 0.00 57.88 57.05 1r3b h LEU 178 Cb 0.58 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1r3b h LEU 178 CO -0.00 0.90 0.05 -1.13 -0.00 0.00 0.00 178.44 178.26 1r3b h ASN 179 N -0.88 0.93 -0.17 -0.43 -1.24 -1.55 0.71 115.58 112.95 1r3b h ASN 179 Ca -0.00 -0.28 -0.00 0.00 0.71 0.00 0.00 56.30 56.72 1r3b h ASN 179 Cb 0.90 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 1r3b h ASN 179 CO 0.00 0.97 0.09 0.00 -1.29 0.00 0.00 177.43 177.20 1r3b h THR 180 N 0.85 1.11 -0.34 -3.57 1.03 -0.22 0.08 112.91 111.83 1r3b h THR 180 Ca 0.17 -0.30 -0.05 0.00 -0.01 0.00 0.00 66.41 66.21 1r3b h THR 180 Cb 0.47 1.01 -0.01 0.00 -1.07 0.00 0.00 68.15 68.54 1r3b h THR 180 CO 0.02 0.10 0.00 0.28 -0.01 0.00 0.00 175.52 175.91 1r3b h SER 181 N 0.16 0.59 -0.18 0.00 0.02 -1.40 -2.49 113.55 110.26 1r3b h SER 181 Ca 0.06 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1r3b h SER 181 Cb 0.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1r3b h SER 181 CO -0.01 0.76 0.10 0.15 -1.14 0.00 0.00 176.83 176.69 1r3b h PHE 182 N 0.41 0.26 -0.33 3.45 3.04 -0.71 -1.98 116.94 121.08 1r3b h PHE 182 Ca 0.10 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.89 1r3b h PHE 182 Cb 0.45 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 1r3b h PHE 182 CO 0.04 0.19 -0.43 0.87 -2.02 0.00 0.00 178.31 176.96 1r3b h LYS 183 N 0.27 0.85 -0.08 1.11 1.57 -0.68 -2.82 116.57 116.78 1r3b h LYS 183 Ca 0.07 -0.47 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1r3b h LYS 183 Cb 0.02 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1r3b h LYS 183 CO -0.01 1.11 0.08 1.25 -0.57 0.00 0.00 179.45 181.30 1r3b h HIS 184 N 0.68 0.00 0.00 -1.35 2.76 -0.91 1.24 115.15 117.57 1r3b h HIS 184 Ca 0.05 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.05 1r3b h HIS 184 Cb 1.01 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 1r3b h HIS 184 CO 0.06 0.00 -1.02 0.74 -1.30 0.00 0.00 177.93 176.41 1r3b h PHE 185 N 0.00 0.00 0.00 5.26 -1.00 -1.41 -3.16 116.94 116.64 1r3b h PHE 185 Ca 0.04 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.67 1r3b h PHE 185 Cb 0.20 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1r3b h PHE 185 CO 0.00 0.68 -1.30 -0.89 -1.61 0.00 0.00 178.31 175.19 1r3b n ILE 186 N -3.13 1.49 -0.28 -0.55 -0.00 -0.26 -3.76 119.36 112.88 1r3b n ILE 186 Ca -0.04 0.01 0.02 0.00 -0.00 0.00 0.00 62.75 62.73 1r3b n ILE 186 Cb 0.84 -2.20 0.15 0.00 -0.00 0.00 0.00 39.64 38.43 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 1r3b h PHE 187 N -1.00 0.82 -0.09 1.39 -1.00 0.13 0.62 116.94 117.82 1r3b h PHE 187 Ca -0.22 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 1r3b h PHE 187 Cb 1.08 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 40.38 1r3b h PHE 187 CO -0.22 0.35 0.03 0.35 -1.61 0.00 0.00 178.31 177.21 1r3b h PHE 188 N 0.78 0.14 -0.50 -0.55 3.57 -1.64 0.62 116.94 119.37 1r3b h PHE 188 Ca 0.37 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.74 1r3b h PHE 188 Cb 0.31 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1r3b h PHE 188 CO -0.06 0.29 -0.17 -0.39 -2.23 0.00 0.00 178.31 175.75 1r3b h VAL 189 N -0.05 1.27 0.00 1.41 -1.51 -1.54 -2.90 116.25 112.93 1r3b h VAL 189 Ca 0.03 -1.33 -0.10 0.00 -1.23 0.00 0.00 66.70 64.07 1r3b h VAL 189 Cb 0.22 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1r3b h VAL 189 CO -0.00 0.46 -0.47 -0.61 -1.23 0.00 0.00 177.57 175.72 1r3b h GLN 190 N 0.85 0.00 0.41 5.19 -0.00 0.32 1.10 115.11 122.98 1r3b h GLN 190 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.75 1r3b h GLN 190 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.22 1r3b h GLN 190 CO 0.06 0.47 -0.20 1.49 0.00 0.00 0.00 178.83 180.65 1r3b h GLU 191 N 0.00 -0.53 -0.00 1.69 4.57 -0.67 -3.24 114.58 116.40 1r3b h GLU 191 Ca -0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1r3b h GLU 191 Cb 0.83 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1r3b h GLU 191 CO 0.06 -0.24 -0.57 1.19 -1.18 0.00 0.00 179.01 178.27 1r3b n PHE 192 N -5.24 0.00 -2.97 0.92 3.01 -1.14 -4.99 117.46 107.06 1r3b n PHE 192 Ca -0.11 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.23 1r3b n PHE 192 Cb 0.28 -0.18 0.06 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.35 -4.89 0.06 4.37 2.85 0.37 -4.95 115.26 111.71 1r3b n ASN 193 Ca 0.06 -0.56 0.05 0.00 -0.11 0.00 0.00 54.58 54.02 1r3b n ASN 193 Cb 0.34 -4.30 -0.06 0.00 1.24 0.00 0.00 39.78 37.01 1r3b n ASN 193 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1r3b n LEU 194 N -3.04 0.81 -4.79 1.20 7.99 -0.49 -4.93 117.00 113.73 1r3b n LEU 194 Ca -0.10 0.34 -0.30 0.00 -0.01 0.00 0.00 56.01 55.94 1r3b n LEU 194 Cb 0.61 0.03 0.09 0.00 -0.11 0.00 0.00 43.42 44.03 1r3b n LEU 194 CO 0.48 0.02 0.70 0.27 -1.51 0.00 0.00 177.39 177.35 1r3b s ILE 195 N -3.11 3.30 -0.36 -0.08 -5.25 -1.26 -5.02 121.20 109.41 1r3b s ILE 195 Ca -0.02 0.42 0.13 0.00 -0.99 0.00 0.00 60.65 60.19 1r3b s ILE 195 Cb 0.09 -3.11 0.40 0.00 2.95 0.00 0.00 42.46 42.79 1r3b s ILE 195 CO 0.81 -0.55 0.98 -0.67 -1.79 0.00 0.00 174.94 173.72 1r3b n ASP 196 N -3.41 0.25 0.00 4.36 2.03 -1.26 -5.00 116.55 113.52 1r3b n ASP 196 Ca 0.07 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.53 1r3b n ASP 196 Cb 0.55 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1r3b n ASP 196 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1r3b n ARG 197 N -0.02 0.00 0.03 -0.67 1.74 -1.26 -4.18 116.66 112.31 1r3b n ARG 197 Ca 0.11 0.00 0.21 0.00 -0.77 0.00 0.00 57.85 57.40 1r3b n ARG 197 Cb 0.77 0.00 0.73 0.00 -1.02 0.00 0.00 32.46 32.94 1r3b n ARG 197 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1r3b h ARG 198 N 0.00 0.00 0.02 5.56 2.43 -2.00 0.13 114.38 120.52 1r3b h ARG 198 Ca 0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1r3b h ARG 198 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1r3b h ARG 198 CO 0.00 0.00 -0.94 1.49 -1.51 0.00 0.00 179.97 179.01 1r3b h GLU 199 N 0.00 0.27 -0.77 0.20 4.22 -1.95 -3.17 114.58 113.37 1r3b h GLU 199 Ca 0.24 -0.31 -0.05 0.00 0.08 0.00 0.00 59.36 59.31 1r3b h GLU 199 Cb 1.10 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1r3b h GLU 199 CO -0.00 1.03 0.07 1.28 -2.18 0.00 0.00 179.01 179.21 1r3b n LEU 200 N -3.66 4.30 0.26 1.64 4.77 0.43 -4.46 117.00 120.28 1r3b n LEU 200 Ca -0.05 -2.20 -0.11 0.00 -0.03 0.00 0.00 56.01 53.62 1r3b n LEU 200 Cb 0.84 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1r3b n LEU 200 CO 0.50 0.55 0.31 0.00 -1.33 0.00 0.00 177.39 177.42 1r3b h ALA 201 N 2.99 -0.77 -0.49 -1.18 0.00 -1.42 -3.40 119.26 114.99 1r3b h ALA 201 Ca 0.07 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1r3b h ALA 201 Cb 1.59 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 1r3b h ALA 201 CO 0.39 -0.72 0.56 -1.25 0.00 0.00 0.00 179.25 178.23 1r3b s PRO 202 N -3.92 2.13 0.00 0.00 0.04 -1.26 -3.00 135.00 128.99 1r3b s PRO 202 Ca -0.10 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1r3b s PRO 202 Cb 0.01 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.52 1r3b s PRO 202 CO 0.31 -4.07 0.00 1.47 0.04 0.00 0.00 177.00 174.75 1r3b n LEU 203 N 15.93 0.00 0.27 -3.56 -0.00 -1.26 -4.95 117.00 123.43 1r3b n LEU 203 Ca 0.43 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.58 1r3b n LEU 203 Cb 0.46 0.00 0.78 0.00 -0.00 0.00 0.00 43.42 44.66 1r3b n LEU 203 CO 0.60 0.00 1.00 -0.61 -0.00 0.00 0.00 177.39 178.39 1r3b h GLN 204 N 0.00 0.00 0.00 1.47 4.15 -1.77 -1.04 115.11 117.92 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 0.09 -0.00 0.93 -1.93 0.00 0.00 178.83 177.92 1r3b h GLU 205 N 0.00 -0.00 -0.42 1.69 4.39 -1.93 -2.76 114.58 115.56 1r3b h GLU 205 Ca -0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1r3b h GLU 205 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1r3b h GLU 205 CO 0.01 0.81 -0.22 1.37 -1.16 0.00 0.00 179.01 179.83 1r3b h LEU 206 N -0.82 0.86 -0.30 1.33 8.10 -1.91 -1.57 115.31 121.00 1r3b h LEU 206 Ca -0.00 -0.31 -0.02 0.00 0.11 0.00 0.00 57.88 57.66 1r3b h LEU 206 Cb 0.81 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.78 1r3b h LEU 206 CO 0.00 1.04 0.11 -0.29 -4.11 0.00 0.00 178.44 175.19 1r3b h ILE 207 N 0.73 1.19 -0.34 0.15 2.10 -1.31 0.35 117.51 120.37 1r3b h ILE 207 Ca 0.10 -0.58 -0.04 0.00 1.08 0.00 0.00 64.86 65.42 1r3b h ILE 207 Cb 0.75 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.47 1r3b h ILE 207 CO 0.06 0.20 0.06 -0.33 -1.08 0.00 0.00 178.15 177.06 1r3b h GLU 208 N 0.33 0.57 -0.52 2.19 5.08 -1.44 -2.92 114.58 117.86 1r3b h GLU 208 Ca 0.10 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1r3b h GLU 208 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1r3b h GLU 208 CO -0.01 0.64 0.12 -0.22 -1.00 0.00 0.00 179.01 178.54 1r3b h LYS 209 N 0.40 0.80 -0.07 2.33 3.64 -1.19 -2.10 116.57 120.39 1r3b h LYS 209 Ca 0.10 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1r3b h LYS 209 Cb 0.35 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1r3b h LYS 209 CO 0.01 0.73 0.09 1.25 -2.27 0.00 0.00 179.45 179.26 1r3b h LEU 210 N 0.77 0.00 0.00 5.20 5.85 -0.73 -3.36 115.31 123.04 1r3b h LEU 210 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1r3b h LEU 210 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1r3b h LEU 210 CO -0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 1r3b n GLY 211 N -1.31 -2.10 1.45 3.75 0.00 -0.79 -4.99 105.19 101.20 1r3b n GLY 211 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -8.02 -4.76 1.61 7.64 -1.26 -5.01 113.62 103.82 1r3b n SER 212 Ca 0.00 1.35 -0.33 0.00 1.01 0.00 0.00 58.87 60.91 1r3b n SER 212 Cb 0.00 -4.93 -0.08 0.00 -1.01 0.00 0.00 64.21 58.19 1r3b n SER 212 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1r3b s LYS 213 N -4.10 2.18 0.21 1.43 1.02 -1.26 -5.17 119.74 114.06 1r3b s LYS 213 Ca 0.00 -2.38 0.01 0.00 0.02 0.00 0.00 55.97 53.62 1r3b s LYS 213 Cb 0.00 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.72 1r3b s LYS 213 CO 0.00 -0.35 0.07 -0.51 -0.92 0.00 0.00 175.35 173.64 1r3b s ASP 214 N -3.88 0.96 0.00 2.83 1.11 -1.26 -5.28 116.67 111.15 1r3b s ASP 214 Ca 0.08 -1.30 0.00 0.00 0.18 0.00 0.00 52.55 51.51 1r3b s ASP 214 Cb 0.02 0.19 0.00 0.00 1.07 0.00 0.00 42.92 44.20 1r3b s ASP 214 CO 0.04 -0.70 0.00 0.54 1.18 0.00 0.00 175.17 176.23