#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 1.18 3.47 -5.12 0.00 -1.26 -5.10 105.19 98.36 1r3b n GLY 15 Ca 0.00 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 16 N 0.00 4.96 -0.09 1.61 0.01 -1.26 -5.09 113.70 113.84 1r3b s SER 16 Ca 0.00 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1r3b s SER 16 Cb 0.00 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.39 1r3b s SER 16 CO 0.00 0.06 -0.13 -0.94 0.41 0.00 0.00 173.24 172.64 1r3b s SER 17 N 1.01 2.09 -0.07 2.44 1.04 -1.26 -5.13 113.70 113.82 1r3b s SER 17 Ca 0.02 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.12 1r3b s SER 17 Cb -0.14 -0.93 0.02 0.00 0.10 0.00 0.00 66.02 65.06 1r3b s SER 17 CO 0.02 0.01 -0.10 -1.38 0.98 0.00 0.00 173.24 172.77 1r3b s HIS 18 N 0.92 1.33 -0.05 5.02 0.00 -1.26 -5.13 115.29 116.11 1r3b s HIS 18 Ca -0.09 -0.52 -0.09 0.00 -3.00 0.00 0.00 55.06 51.36 1r3b s HIS 18 Cb -0.15 -1.03 0.02 0.00 -4.00 0.00 0.00 32.58 27.42 1r3b s HIS 18 CO 0.00 -0.31 0.23 -3.38 -1.00 0.00 0.00 174.74 170.28 1r3b s HIS 19 N 0.94 -0.18 -0.28 0.38 0.00 -1.26 -5.14 115.29 109.76 1r3b s HIS 19 Ca -0.10 0.39 -0.00 0.00 -3.00 0.00 0.00 55.06 52.35 1r3b s HIS 19 Cb -0.15 0.06 0.08 0.00 -4.00 0.00 0.00 32.58 28.57 1r3b s HIS 19 CO 0.01 -0.21 0.05 -1.01 -1.00 0.00 0.00 174.74 172.57 1r3b s HIS 20 N -0.49 1.97 -0.28 0.38 0.09 -1.26 -5.10 115.29 110.60 1r3b s HIS 20 Ca -0.06 -1.72 -0.12 0.00 -0.00 0.00 0.00 55.06 53.16 1r3b s HIS 20 Cb -0.04 -1.70 -0.05 0.00 -0.00 0.00 0.00 32.58 30.80 1r3b s HIS 20 CO 0.01 -0.81 0.22 -1.01 -0.00 0.00 0.00 174.74 173.15 1r3b s HIS 21 N 1.53 3.22 -0.10 1.40 0.09 -1.26 -5.06 115.29 115.12 1r3b s HIS 21 Ca 0.04 0.17 -0.03 0.00 -0.00 0.00 0.00 55.06 55.25 1r3b s HIS 21 Cb -0.18 -2.42 0.04 0.00 -0.00 0.00 0.00 32.58 30.03 1r3b s HIS 21 CO -0.16 -0.17 0.05 -1.01 -0.00 0.00 0.00 174.74 173.44 1r3b s HIS 22 N 1.82 0.40 -0.23 1.40 0.09 -1.26 -5.12 115.29 112.39 1r3b s HIS 22 Ca 0.08 -0.14 0.02 0.00 -0.00 0.00 0.00 55.06 55.03 1r3b s HIS 22 Cb -0.16 -0.69 0.04 0.00 -0.00 0.00 0.00 32.58 31.77 1r3b s HIS 22 CO 0.11 -0.36 -0.15 -3.38 -0.00 0.00 0.00 174.74 170.97 1r3b s HIS 23 N 2.06 3.06 -0.06 1.40 0.00 -1.26 -5.10 115.29 115.39 1r3b s HIS 23 Ca 0.04 -2.04 0.03 0.00 -3.00 0.00 0.00 55.06 50.09 1r3b s HIS 23 Cb -0.14 -1.92 0.01 0.00 -4.00 0.00 0.00 32.58 26.53 1r3b s HIS 23 CO -0.06 -0.85 -0.15 0.45 -1.00 0.00 0.00 174.74 173.13 1r3b s SER 24 N 1.18 2.03 -0.04 7.38 0.15 -1.26 -5.13 113.70 118.02 1r3b s SER 24 Ca -0.03 -0.34 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 1r3b s SER 24 Cb -0.17 -0.78 0.11 0.00 -1.71 0.00 0.00 66.02 63.46 1r3b s SER 24 CO -0.08 0.09 0.89 -0.94 1.20 0.00 0.00 173.24 174.40 1r3b s SER 25 N 0.37 -0.39 -0.24 5.45 1.04 -1.26 -5.19 113.70 113.48 1r3b s SER 25 Ca -0.11 0.15 -0.34 0.00 0.48 0.00 0.00 55.95 56.14 1r3b s SER 25 Cb -0.14 0.38 0.16 0.00 0.10 0.00 0.00 66.02 66.52 1r3b s SER 25 CO 0.04 -0.56 1.27 -0.83 0.98 0.00 0.00 173.24 174.14 1r3b s GLY 26 N -2.05 -0.17 -0.15 7.32 0.00 -1.26 -5.16 107.32 105.85 1r3b s GLY 26 Ca 0.02 2.04 -0.07 0.00 0.00 0.00 0.00 44.72 46.72 1r3b s GLY 26 CO -0.05 0.75 0.34 1.08 0.00 0.00 0.00 173.10 175.22 1r3b s LEU 27 N -1.74 -0.17 -0.14 0.66 1.02 -1.26 -5.15 118.68 111.90 1r3b s LEU 27 Ca 0.09 0.76 0.01 0.00 0.02 0.00 0.00 54.13 55.02 1r3b s LEU 27 Cb -0.01 1.06 0.02 0.00 0.02 0.00 0.00 46.19 47.27 1r3b s LEU 27 CO -0.05 -0.21 -0.17 0.54 0.02 0.00 0.00 176.35 176.49 1r3b s VAL 28 N 1.92 1.72 1.01 -1.59 0.11 -1.26 -4.92 120.40 117.38 1r3b s VAL 28 Ca -0.05 -0.75 -0.17 0.00 -2.93 0.00 0.00 61.98 58.08 1r3b s VAL 28 Cb -0.11 -1.57 0.25 0.00 -1.53 0.00 0.00 36.38 33.42 1r3b s VAL 28 CO -0.11 0.48 0.97 -0.81 -3.33 0.00 0.00 175.10 172.30 1r3b n PRO 29 N 4.41 -2.51 -3.75 1.54 -0.04 -1.26 -5.09 135.00 128.30 1r3b n PRO 29 Ca -0.19 -1.53 -0.13 0.00 -0.04 0.00 0.00 63.50 61.61 1r3b n PRO 29 Cb 0.51 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 1r3b n PRO 29 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1r3b s ARG 30 N -5.18 0.14 0.00 0.54 0.52 -1.26 -5.13 118.95 108.59 1r3b s ARG 30 Ca 0.61 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 56.23 1r3b s ARG 30 Cb -0.05 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.29 1r3b s ARG 30 CO 0.46 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 176.04 1r3b n GLY 31 N 4.10 3.93 3.20 -3.53 0.00 -1.26 -5.14 105.19 106.50 1r3b n GLY 31 Ca -0.25 -1.62 0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.54 0.23 1.61 0.15 -1.26 -5.18 113.70 108.71 1r3b s SER 32 Ca 0.00 0.44 0.10 0.00 0.70 0.00 0.00 55.95 57.18 1r3b s SER 32 Cb 0.00 1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 65.76 1r3b s SER 32 CO 0.00 -0.10 -0.07 0.00 1.20 0.00 0.00 173.24 174.27 1r3b s ALA 33 N 2.79 3.00 -0.05 5.45 0.00 -1.26 -5.14 121.76 126.56 1r3b s ALA 33 Ca 0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 1r3b s ALA 33 Cb -0.09 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.39 1r3b s ALA 33 CO -0.13 0.35 0.09 -0.08 0.00 0.00 0.00 175.76 175.99 1r3b s THR 34 N -2.09 -0.13 0.42 0.00 -1.32 -1.26 -4.98 115.64 106.29 1r3b s THR 34 Ca 0.28 0.32 0.03 0.00 -1.21 0.00 0.00 61.69 61.12 1r3b s THR 34 Cb -0.07 -0.18 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1r3b s THR 34 CO 0.17 0.13 0.11 -0.76 -2.21 0.00 0.00 174.62 172.06 1r3b s LEU 35 N 1.78 2.04 0.00 9.08 1.02 -1.26 -5.15 118.68 126.19 1r3b s LEU 35 Ca -0.01 -1.67 0.00 0.00 0.02 0.00 0.00 54.13 52.47 1r3b s LEU 35 Cb -0.12 -0.20 0.00 0.00 0.02 0.00 0.00 46.19 45.89 1r3b s LEU 35 CO -0.04 -0.92 0.00 0.61 0.02 0.00 0.00 176.35 176.02 1r3b n GLY 36 N -0.96 2.71 3.53 -3.19 0.00 -1.26 -5.04 105.19 100.98 1r3b n GLY 36 Ca -0.08 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1r3b n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 37 N 0.00 -0.65 0.00 1.61 0.15 -1.26 -5.14 113.70 108.41 1r3b s SER 37 Ca 0.00 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1r3b s SER 37 Cb 0.00 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1r3b s SER 37 CO 0.00 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1r3b n GLY 38 N 1.86 4.10 3.71 9.45 0.00 -1.26 -4.97 105.19 118.09 1r3b n GLY 38 Ca -0.17 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 3.58 -0.08 1.61 0.02 -1.26 -4.91 114.94 113.89 1r3b s ASN 39 Ca 0.00 2.02 -0.20 0.00 -1.02 0.00 0.00 52.86 53.67 1r3b s ASN 39 Cb 0.00 -2.54 -0.16 0.00 0.02 0.00 0.00 41.25 38.57 1r3b s ASN 39 CO 0.00 -2.66 0.70 0.25 0.02 0.00 0.00 177.10 175.41 1r3b h LEU 40 N -1.56 -0.09 -0.21 0.60 7.12 -2.01 -2.37 115.31 116.79 1r3b h LEU 40 Ca -0.43 -0.48 -0.02 0.00 0.13 0.00 0.00 57.88 57.08 1r3b h LEU 40 Cb 1.25 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.40 1r3b h LEU 40 CO 0.46 0.57 0.06 0.03 -0.13 0.00 0.00 178.44 179.43 1r3b h ARG 41 N -0.91 0.34 -0.12 1.25 3.08 -2.01 -2.74 114.38 113.26 1r3b h ARG 41 Ca -0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1r3b h ARG 41 Cb 0.56 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1r3b h ARG 41 CO 0.02 0.45 0.01 1.96 -1.07 0.00 0.00 179.97 181.34 1r3b h GLN 42 N 0.17 0.17 0.00 0.04 4.20 -1.89 -0.94 115.11 116.86 1r3b h GLN 42 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1r3b h GLN 42 Cb 0.26 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1r3b h GLN 42 CO 0.00 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 1r3b n ALA 43 N -2.51 1.43 0.00 3.87 0.00 -0.89 -2.25 120.51 120.16 1r3b n ALA 43 Ca -0.01 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 1r3b n ALA 43 Cb 0.14 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.11 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 1.04 -3.19 0.00 2.07 -1.15 -3.45 116.25 111.58 1r3b h VAL 44 Ca 0.00 -2.84 -0.66 0.00 0.82 0.00 0.00 66.70 64.02 1r3b h VAL 44 Cb 0.22 2.54 -0.35 0.00 -1.52 0.00 0.00 31.29 32.18 1r3b h VAL 44 CO 0.00 0.64 -0.85 -0.32 0.02 0.00 0.00 177.57 177.06 1r3b s MET 45 N -2.62 2.74 -0.49 1.57 -2.45 -0.96 -4.99 119.30 112.11 1r3b s MET 45 Ca -0.05 -0.85 -0.33 0.00 -1.25 0.00 0.00 55.69 53.21 1r3b s MET 45 Cb 0.08 -2.53 -0.12 0.00 1.25 0.00 0.00 34.83 33.51 1r3b s MET 45 CO 0.82 -0.27 2.33 -0.11 1.05 0.00 0.00 175.02 178.84 1r3b n LEU 46 N 4.62 1.83 -4.84 4.11 7.94 -1.26 -4.84 117.00 124.56 1r3b n LEU 46 Ca -0.19 0.18 -0.29 0.00 -1.11 0.00 0.00 56.01 54.60 1r3b n LEU 46 Cb 0.49 -1.27 0.11 0.00 0.53 0.00 0.00 43.42 43.29 1r3b n LEU 46 CO 0.24 -0.91 0.75 -2.16 -1.11 0.00 0.00 177.39 174.21 1r3b s PRO 47 N 7.13 1.53 3.06 1.96 0.04 -1.26 -4.66 135.00 142.79 1r3b s PRO 47 Ca 1.12 0.19 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1r3b s PRO 47 Cb -0.79 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1r3b s PRO 47 CO 0.44 -1.91 0.00 0.39 0.04 0.00 0.00 177.00 175.96 1r3b n GLU 48 N -3.55 0.00 0.00 4.56 1.02 -1.26 -4.72 120.64 116.69 1r3b n GLU 48 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1r3b n GLU 48 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r3b n GLY 49 N 0.00 5.15 3.17 0.62 0.00 -1.26 -5.12 105.19 107.74 1r3b n GLY 49 Ca 0.00 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 2.42 2.62 -0.31 1.61 2.02 -1.26 -4.92 118.70 120.88 1r3b s GLU 50 Ca 0.00 -1.12 0.01 0.00 0.02 0.00 0.00 54.97 53.87 1r3b s GLU 50 Cb 0.00 -3.03 0.14 0.00 0.10 0.00 0.00 34.13 31.35 1r3b s GLU 50 CO 0.00 -0.49 0.33 0.34 0.02 0.00 0.00 175.26 175.46 1r3b s ASP 51 N 1.27 1.38 0.02 -0.19 -1.08 -1.26 -5.04 116.67 111.76 1r3b s ASP 51 Ca -0.03 -0.92 -0.27 0.00 -0.52 0.00 0.00 52.55 50.81 1r3b s ASP 51 Cb -0.18 0.60 -0.16 0.00 -1.46 0.00 0.00 42.92 41.72 1r3b s ASP 51 CO -0.04 -0.35 1.26 0.17 0.52 0.00 0.00 175.17 176.74 1r3b h LEU 52 N 7.94 -0.58 -1.12 -1.34 -0.00 -1.97 0.39 115.31 118.63 1r3b h LEU 52 Ca -0.08 -0.06 0.31 0.00 -0.00 0.00 0.00 57.88 58.04 1r3b h LEU 52 Cb 1.08 0.15 -0.13 0.00 -0.00 0.00 0.00 40.66 41.76 1r3b h LEU 52 CO 0.29 -0.24 0.63 0.78 -0.00 0.00 0.00 178.44 179.90 1r3b h ASN 53 N -0.95 0.51 -0.00 0.17 2.35 -1.98 0.84 115.58 116.51 1r3b h ASN 53 Ca -0.07 0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1r3b h ASN 53 Cb 0.61 0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.07 1r3b h ASN 53 CO 0.12 -0.04 -0.26 -0.08 -1.65 0.00 0.00 177.43 175.52 1r3b h GLU 54 N 0.37 0.18 -0.11 0.81 4.81 -1.95 -2.36 114.58 116.34 1r3b h GLU 54 Ca 0.70 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.76 1r3b h GLU 54 Cb 1.65 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.06 1r3b h GLU 54 CO -0.49 0.92 -0.05 2.35 -0.73 0.00 0.00 179.01 181.01 1r3b h TRP 55 N -0.48 -0.12 -0.34 0.92 -0.00 0.36 0.81 115.95 117.11 1r3b h TRP 55 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 1r3b h TRP 55 Cb 1.01 0.07 -0.02 0.00 -0.00 0.00 0.00 29.16 30.22 1r3b h TRP 55 CO 0.18 -0.08 0.22 0.82 -0.00 0.00 0.00 178.44 179.58 1r3b h ILE 56 N -0.04 1.08 -0.33 2.65 5.03 0.37 -0.65 117.51 125.63 1r3b h ILE 56 Ca 0.06 -0.16 -0.06 0.00 -0.12 0.00 0.00 64.86 64.58 1r3b h ILE 56 Cb 0.13 0.59 -0.02 0.00 -3.03 0.00 0.00 36.82 34.49 1r3b h ILE 56 CO -0.13 0.08 -0.07 0.00 -0.68 0.00 0.00 178.15 177.35 1r3b h ALA 57 N 1.13 1.27 -0.25 1.87 0.00 -1.01 -1.54 119.26 120.73 1r3b h ALA 57 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1r3b h ALA 57 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1r3b h ALA 57 CO -0.03 0.48 -0.03 0.28 0.00 0.00 0.00 179.25 179.95 1r3b h VAL 58 N 0.50 1.27 0.00 0.00 2.07 0.13 -3.18 116.25 117.04 1r3b h VAL 58 Ca 0.10 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 1r3b h VAL 58 Cb 0.43 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1r3b h VAL 58 CO 0.02 0.31 -0.44 0.78 0.02 0.00 0.00 177.57 178.26 1r3b h ASN 59 N 0.22 0.00 0.04 0.57 2.35 -1.02 -2.99 115.58 114.75 1r3b h ASN 59 Ca 0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1r3b h ASN 59 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1r3b h ASN 59 CO 0.02 0.44 -0.02 0.74 -1.65 0.00 0.00 177.43 176.96 1r3b h THR 60 N 0.00 1.01 -0.18 2.81 2.02 -1.26 1.08 112.91 118.38 1r3b h THR 60 Ca -0.00 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1r3b h THR 60 Cb 1.11 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1r3b h THR 60 CO 0.06 0.04 -0.30 0.58 0.37 0.00 0.00 175.52 176.27 1r3b h VAL 61 N -0.12 1.27 -0.00 3.16 2.07 -1.62 -1.23 116.25 119.77 1r3b h VAL 61 Ca -0.01 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1r3b h VAL 61 Cb 0.11 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1r3b h VAL 61 CO 0.01 0.40 -0.00 0.44 0.02 0.00 0.00 177.57 178.44 1r3b h ASP 62 N 0.31 0.01 0.50 0.57 5.19 -1.32 -1.41 116.42 120.27 1r3b h ASP 62 Ca 0.04 -0.51 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 1r3b h ASP 62 Cb 0.69 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 1r3b h ASP 62 CO 0.05 0.52 -0.31 -0.26 -3.12 0.00 0.00 179.24 176.12 1r3b h PHE 63 N -0.50 -0.81 -0.07 4.55 0.04 0.13 0.51 116.94 120.79 1r3b h PHE 63 Ca 0.00 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1r3b h PHE 63 Cb 0.51 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1r3b h PHE 63 CO 0.10 -0.47 -0.06 0.27 -0.60 0.00 0.00 178.31 177.56 1r3b h PHE 64 N -0.77 0.10 -0.04 -0.55 -0.00 -1.32 0.31 116.94 114.66 1r3b h PHE 64 Ca -0.06 -0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 57.83 1r3b h PHE 64 Cb 0.63 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 36.55 1r3b h PHE 64 CO -0.09 0.16 -0.26 -0.97 -0.00 0.00 0.00 178.31 177.15 1r3b h ASN 65 N 0.10 0.30 -0.44 -0.68 -1.24 -0.76 -0.06 115.58 112.81 1r3b h ASN 65 Ca 0.02 -0.67 -0.05 0.00 0.71 0.00 0.00 56.30 56.32 1r3b h ASN 65 Cb 0.17 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1r3b h ASN 65 CO 0.01 0.93 0.09 1.56 -1.29 0.00 0.00 177.43 178.73 1r3b h GLN 66 N -0.30 0.71 -0.40 6.67 4.20 0.31 0.12 115.11 126.42 1r3b h GLN 66 Ca -0.02 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1r3b h GLN 66 Cb 0.93 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1r3b h GLN 66 CO 0.05 0.72 -0.33 -0.84 -0.67 0.00 0.00 178.83 177.77 1r3b h ILE 67 N 0.57 1.27 -0.45 2.54 -0.00 -1.02 -2.87 117.51 117.56 1r3b h ILE 67 Ca 0.13 -1.50 -0.11 0.00 -0.00 0.00 0.00 64.86 63.38 1r3b h ILE 67 Cb 0.35 1.34 -0.02 0.00 -0.00 0.00 0.00 36.82 38.49 1r3b h ILE 67 CO 0.00 0.50 -0.17 -1.13 -0.00 0.00 0.00 178.15 177.36 1r3b h ASN 68 N 0.75 0.88 -0.20 2.16 -1.24 -0.88 -2.62 115.58 114.43 1r3b h ASN 68 Ca 0.07 -0.30 -0.04 0.00 0.71 0.00 0.00 56.30 56.74 1r3b h ASN 68 Cb 0.92 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 1r3b h ASN 68 CO 0.09 1.04 0.01 -0.03 -1.29 0.00 0.00 177.43 177.25 1r3b h MET 69 N 0.77 0.46 -0.05 6.67 4.05 -0.69 -1.29 114.93 124.85 1r3b h MET 69 Ca 0.11 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 1r3b h MET 69 Cb 0.70 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1r3b h MET 69 CO 0.05 0.49 -0.19 -0.07 0.23 0.00 0.00 176.91 177.42 1r3b h LEU 70 N 0.45 0.25 -1.79 3.39 3.38 -1.33 -3.17 115.31 116.50 1r3b h LEU 70 Ca 0.10 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1r3b h LEU 70 Cb 0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1r3b h LEU 70 CO 0.01 0.85 -0.16 0.22 0.09 0.00 0.00 178.44 179.45 1r3b h TYR 71 N -0.33 0.00 -0.39 1.13 5.03 -1.34 -2.58 116.97 118.49 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 0.84 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 1r3b h TYR 71 CO 0.14 0.16 -0.14 0.78 -1.32 0.00 0.00 178.16 177.77 1r3b h GLY 72 N 0.70 0.78 2.00 1.82 0.00 -1.21 0.95 103.07 108.10 1r3b h GLY 72 Ca -0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1r3b h GLY 72 CO 0.02 0.55 -0.31 0.00 0.00 0.00 0.00 176.54 176.80 1r3b h THR 73 N 0.65 0.63 0.00 4.70 1.03 -1.44 -3.22 112.91 115.26 1r3b h THR 73 Ca 0.11 -1.53 0.00 0.00 -0.01 0.00 0.00 66.41 64.98 1r3b h THR 73 Cb 0.61 2.03 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 1r3b h THR 73 CO 0.04 0.30 -1.36 0.00 -0.01 0.00 0.00 175.52 174.50 1r3b n ILE 74 N -3.31 0.00 -0.24 0.00 0.00 -1.07 -4.43 119.36 110.31 1r3b n ILE 74 Ca 0.01 -0.25 0.26 0.00 0.00 0.00 0.00 62.75 62.77 1r3b n ILE 74 Cb 0.55 0.53 0.63 0.00 0.00 0.00 0.00 39.64 41.35 1r3b n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r3b h THR 75 N 0.00 0.56 0.00 9.51 1.03 0.93 0.85 112.91 125.78 1r3b h THR 75 Ca 0.00 -0.06 -0.05 0.00 -0.01 0.00 0.00 66.41 66.28 1r3b h THR 75 Cb 0.64 0.36 -0.01 0.00 -1.07 0.00 0.00 68.15 68.07 1r3b h THR 75 CO 0.00 0.03 -0.26 1.05 -0.01 0.00 0.00 175.52 176.33 1r3b h GLU 76 N 0.18 0.00 -0.20 0.00 4.11 -1.77 -2.52 114.58 114.37 1r3b h GLU 76 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 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 -0.11 0.26 0.00 1.19 0.07 0.00 0.00 179.01 180.42 1r3b n PHE 77 N -3.47 0.26 -1.57 2.06 3.72 0.29 -4.90 117.46 113.85 1r3b n PHE 77 Ca -0.00 -0.13 -0.21 0.00 -0.05 0.00 0.00 57.45 57.06 1r3b n PHE 77 Cb 0.43 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.12 1r3b n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r3b s THR 79 N -3.00 0.00 -0.01 0.00 -4.23 -1.26 -5.04 115.64 102.10 1r3b s THR 79 Ca 0.53 -1.78 -0.15 0.00 -1.18 0.00 0.00 61.69 59.12 1r3b s THR 79 Cb -0.02 -2.37 -0.33 0.00 1.34 0.00 0.00 72.50 71.12 1r3b s THR 79 CO 0.38 -0.02 0.84 -0.33 -0.54 0.00 0.00 174.62 174.95 1r3b h GLU 80 N 2.49 0.45 0.01 3.99 3.07 -2.00 -2.74 114.58 119.86 1r3b h GLU 80 Ca -0.32 -0.78 -0.20 0.00 -0.50 0.00 0.00 59.36 57.56 1r3b h GLU 80 Cb 1.25 0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 29.43 1r3b h GLU 80 CO 0.47 1.37 -0.92 0.77 -1.40 0.00 0.00 179.01 179.30 1r3b h SER 81 N 0.07 0.08 0.41 1.42 0.02 -2.00 -3.35 113.55 110.19 1r3b h SER 81 Ca -0.29 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1r3b h SER 81 Cb 2.08 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.60 1r3b h SER 81 CO 0.22 0.96 -0.20 0.74 -1.14 0.00 0.00 176.83 177.41 1r3b h THR 82 N 0.03 0.04 -1.13 -2.27 2.02 -1.98 -3.48 112.91 106.14 1r3b h THR 82 Ca -0.03 -0.61 0.18 0.00 0.77 0.00 0.00 66.41 66.73 1r3b h THR 82 Cb 1.61 0.06 -0.32 0.00 -1.74 0.00 0.00 68.15 67.76 1r3b h THR 82 CO 0.13 0.01 0.79 0.00 0.37 0.00 0.00 175.52 176.81 1r3b n SER 84 N 2.19 -0.71 0.00 0.00 3.41 -1.26 -3.99 113.62 113.26 1r3b n SER 84 Ca -0.13 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1r3b n SER 84 Cb 0.57 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 1r3b n SER 84 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1r3b n VAL 85 N -2.40 0.00 -3.43 -3.33 3.14 -1.26 -4.55 118.33 106.50 1r3b n VAL 85 Ca 0.00 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 1r3b n VAL 85 Cb 0.00 -0.87 -0.02 0.00 -1.06 0.00 0.00 33.84 31.89 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 -1.99 3.53 -0.39 1.45 -1.94 -1.26 -4.77 119.30 113.94 1r3b s MET 86 Ca 0.00 -0.24 -0.20 0.00 -1.71 0.00 0.00 55.69 53.54 1r3b s MET 86 Cb 0.00 -2.69 0.01 0.00 2.01 0.00 0.00 34.83 34.16 1r3b s MET 86 CO 0.00 0.22 0.62 -1.54 -0.01 0.00 0.00 175.02 174.31 1r3b s SER 87 N -3.61 6.37 -0.05 3.03 1.04 -1.23 -4.65 113.70 114.59 1r3b s SER 87 Ca 0.41 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.77 1r3b s SER 87 Cb -0.10 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 1r3b s SER 87 CO 0.33 -0.66 -0.13 0.00 0.98 0.00 0.00 173.24 173.76 1r3b s ALA 88 N 2.72 2.74 0.00 5.32 0.00 -1.26 -4.83 121.76 126.45 1r3b s ALA 88 Ca 0.23 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1r3b s ALA 88 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1r3b s ALA 88 CO 0.16 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.89 1r3b n GLY 89 N 2.29 -0.86 0.43 0.00 0.00 -1.26 -4.38 105.19 101.41 1r3b n GLY 89 Ca -0.17 -1.68 0.24 0.00 0.00 0.00 0.00 46.02 44.41 1r3b n GLY 89 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r3b h PRO 90 N 0.00 0.16 -7.39 1.61 0.11 -2.05 -3.42 132.00 121.02 1r3b h PRO 90 Ca 0.00 -0.01 -0.41 0.00 0.11 0.00 0.00 66.00 65.69 1r3b h PRO 90 Cb 0.00 -0.04 0.20 0.00 0.11 0.00 0.00 31.00 31.27 1r3b h PRO 90 CO 0.00 0.10 0.12 1.03 -0.21 0.00 0.00 178.00 179.04 1r3b s ARG 91 N -5.16 -1.56 -0.25 1.05 3.00 -1.26 -5.06 118.95 109.71 1r3b s ARG 91 Ca -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 55.73 55.48 1r3b s ARG 91 Cb 0.22 -1.57 0.08 0.00 0.00 0.00 0.00 34.95 33.68 1r3b s ARG 91 CO 0.77 -3.92 0.07 -0.47 0.00 0.00 0.00 175.30 171.76 1r3b s TYR 92 N -2.99 1.18 -0.47 -0.53 6.14 -1.26 -4.59 117.35 114.82 1r3b s TYR 92 Ca 0.72 -1.19 -0.20 0.00 0.64 0.00 0.00 57.07 57.03 1r3b s TYR 92 Cb -0.08 -1.26 0.04 0.00 0.42 0.00 0.00 41.96 41.07 1r3b s TYR 92 CO 0.56 -0.74 0.65 -2.00 0.64 0.00 0.00 175.55 174.65 1r3b s GLU 93 N 1.80 3.21 0.30 4.97 2.12 -1.26 -5.02 118.70 124.83 1r3b s GLU 93 Ca 0.04 -0.58 0.03 0.00 0.36 0.00 0.00 54.97 54.83 1r3b s GLU 93 Cb -0.17 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.17 1r3b s GLU 93 CO -0.19 -1.12 0.15 -0.47 -0.54 0.00 0.00 175.26 173.10 1r3b s TYR 94 N 2.81 1.60 0.50 5.30 5.04 -1.26 -3.52 117.35 127.81 1r3b s TYR 94 Ca 0.20 -1.35 0.01 0.00 -2.44 0.00 0.00 57.07 53.49 1r3b s TYR 94 Cb -0.16 -0.87 -0.01 0.00 0.35 0.00 0.00 41.96 41.27 1r3b s TYR 94 CO 0.16 -0.50 0.03 -3.38 -1.34 0.00 0.00 175.55 170.53 1r3b s HIS 95 N -3.60 1.78 0.54 4.97 -3.43 -1.26 -4.99 115.29 109.29 1r3b s HIS 95 Ca 0.35 -1.07 -0.16 0.00 -0.80 0.00 0.00 55.06 53.38 1r3b s HIS 95 Cb 0.05 -1.49 -0.07 0.00 -1.43 0.00 0.00 32.58 29.64 1r3b s HIS 95 CO 0.17 0.08 1.00 -0.46 -2.00 0.00 0.00 174.74 173.53 1r3b s TRP 96 N -2.96 3.38 0.11 0.38 -0.11 -1.26 -4.88 118.94 113.59 1r3b s TRP 96 Ca 0.06 1.47 0.00 0.00 1.22 0.00 0.00 56.10 58.85 1r3b s TRP 96 Cb 0.01 -2.83 0.00 0.00 -1.50 0.00 0.00 33.47 29.15 1r3b s TRP 96 CO 0.04 -0.52 0.00 0.00 -4.62 0.00 0.00 176.95 171.85 1r3b n ALA 97 N -1.73 0.00 -0.13 5.86 0.00 -1.26 -4.99 120.51 118.26 1r3b n ALA 97 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1r3b n ALA 97 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1r3b n ALA 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r3b n ASP 98 N -2.89 0.00 -3.21 0.00 2.03 -1.26 -4.22 116.55 107.00 1r3b n ASP 98 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1r3b n ASP 98 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1r3b n ASP 98 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1r3b s GLY 99 N 0.00 -1.00 0.27 0.27 0.00 -1.26 -5.10 107.32 100.50 1r3b s GLY 99 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.41 1r3b s GLY 99 CO 0.00 3.44 0.00 2.41 0.00 0.00 0.00 173.10 178.95 1r3b n THR 100 N 5.34 -7.30 -0.15 0.90 -1.04 -1.26 -4.96 114.28 105.80 1r3b n THR 100 Ca 0.04 2.45 -0.11 0.00 -2.04 0.00 0.00 64.05 64.39 1r3b n THR 100 Cb 0.52 -3.72 0.11 0.00 -1.82 0.00 0.00 70.33 65.42 1r3b n THR 100 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1r3b n ASN 101 N 0.78 -2.58 -0.59 8.00 5.15 -1.26 -4.95 115.26 119.81 1r3b n ASN 101 Ca 0.00 -0.32 0.05 0.00 -0.60 0.00 0.00 54.58 53.71 1r3b n ASN 101 Cb 0.00 -0.41 0.20 0.00 -0.53 0.00 0.00 39.78 39.04 1r3b n ASN 101 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1r3b n ILE 102 N -3.92 2.20 -3.88 -1.44 -0.00 -1.26 -5.03 119.36 106.03 1r3b n ILE 102 Ca 0.05 -2.96 -0.11 0.00 -0.00 0.00 0.00 62.75 59.74 1r3b n ILE 102 Cb 0.22 -0.25 0.01 0.00 -0.00 0.00 0.00 39.64 39.62 1r3b n ILE 102 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1r3b n LYS 103 N -1.16 1.03 -1.88 6.28 5.02 -1.26 -4.77 118.16 121.41 1r3b n LYS 103 Ca 0.21 -2.43 -0.33 0.00 -2.02 0.00 0.00 58.31 53.74 1r3b n LYS 103 Cb 0.74 2.80 0.03 0.00 -0.02 0.00 0.00 35.03 38.58 1r3b n LYS 103 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1r3b s LYS 104 N -2.30 3.00 0.14 1.97 0.00 -1.26 -4.96 119.74 116.32 1r3b s LYS 104 Ca 0.20 1.36 -0.31 0.00 0.00 0.00 0.00 55.97 57.22 1r3b s LYS 104 Cb -0.04 -1.98 -0.09 0.00 0.00 0.00 0.00 37.83 35.72 1r3b s LYS 104 CO 0.15 -1.09 1.56 -1.25 0.00 0.00 0.00 175.35 174.72 1r3b s PRO 105 N -4.01 4.23 0.37 1.78 0.04 -1.26 -4.99 135.00 131.15 1r3b s PRO 105 Ca 0.67 2.31 -0.04 0.00 0.04 0.00 0.00 61.00 63.98 1r3b s PRO 105 Cb -0.20 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1r3b s PRO 105 CO 0.39 -0.61 0.56 0.96 0.04 0.00 0.00 177.00 178.34 1r3b s ILE 106 N 1.47 0.00 0.33 0.56 -4.36 -1.26 -5.15 121.20 112.78 1r3b s ILE 106 Ca 0.70 -1.47 -0.26 0.00 -0.26 0.00 0.00 60.65 59.36 1r3b s ILE 106 Cb -0.42 -2.76 -0.10 0.00 1.25 0.00 0.00 42.46 40.43 1r3b s ILE 106 CO 0.31 0.00 0.98 -0.75 0.24 0.00 0.00 174.94 175.72 1r3b s LYS 107 N -2.71 4.51 -0.23 0.37 2.47 -1.26 -5.05 119.74 117.84 1r3b s LYS 107 Ca 0.28 1.40 -0.04 0.00 -1.56 0.00 0.00 55.97 56.05 1r3b s LYS 107 Cb -0.02 -2.78 -0.00 0.00 -1.46 0.00 0.00 37.83 33.57 1r3b s LYS 107 CO 0.20 0.19 -0.02 0.00 0.16 0.00 0.00 175.35 175.88 1r3b n SER 109 N 4.80 1.06 0.25 0.00 3.41 -1.26 -4.88 113.62 117.00 1r3b n SER 109 Ca -0.17 -1.49 -0.10 0.00 -0.26 0.00 0.00 58.87 56.84 1r3b n SER 109 Cb 0.50 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r3b h ALA 110 N 0.56 -0.81 0.00 7.33 0.00 -1.98 0.22 119.26 124.57 1r3b h ALA 110 Ca -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1r3b h ALA 110 Cb 0.36 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1r3b h ALA 110 CO 0.13 -0.76 -0.06 -1.00 0.00 0.00 0.00 179.25 177.56 1r3b h PRO 111 N -0.97 0.00 0.23 0.00 0.13 -1.94 -2.04 132.00 127.41 1r3b h PRO 111 Ca -0.07 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.72 1r3b h PRO 111 Cb 0.52 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.68 1r3b h PRO 111 CO 0.11 0.06 -1.59 -0.22 -0.23 0.00 0.00 178.00 176.13 1r3b h LYS 112 N 0.00 0.49 -0.46 0.86 1.63 -1.95 -2.62 116.57 114.52 1r3b h LYS 112 Ca -0.00 -0.84 -0.04 0.00 -0.85 0.00 0.00 60.65 58.92 1r3b h LYS 112 Cb 0.15 0.31 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1r3b h LYS 112 CO 0.01 1.40 0.15 -0.92 -3.45 0.00 0.00 179.45 176.64 1r3b h TYR 113 N 0.13 0.74 -0.22 1.91 3.20 -0.12 -2.94 116.97 119.68 1r3b h TYR 113 Ca -0.29 -0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.35 1r3b h TYR 113 Cb 2.15 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 40.20 1r3b h TYR 113 CO 0.12 0.65 -0.51 0.82 -1.64 0.00 0.00 178.16 177.61 1r3b h ILE 114 N 0.61 1.31 -0.95 1.81 2.04 -1.51 -3.07 117.51 117.74 1r3b h ILE 114 Ca 0.15 -1.73 0.24 0.00 1.00 0.00 0.00 64.86 64.52 1r3b h ILE 114 Cb 0.26 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 1r3b h ILE 114 CO -0.01 0.54 0.64 -0.78 0.00 0.00 0.00 178.15 178.54 1r3b h ASP 115 N 0.48 0.33 0.03 1.72 3.58 -1.28 0.33 116.42 121.61 1r3b h ASP 115 Ca 0.02 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 1r3b h ASP 115 Cb 1.05 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1r3b h ASP 115 CO 0.10 0.11 -0.47 1.88 -2.88 0.00 0.00 179.24 177.98 1r3b h TYR 116 N 0.32 0.63 -0.28 0.28 0.05 -1.48 0.13 116.97 116.61 1r3b h TYR 116 Ca 0.50 -0.20 -0.15 0.00 0.05 0.00 0.00 58.73 58.93 1r3b h TYR 116 Cb 1.40 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 1r3b h TYR 116 CO -0.00 0.89 -0.43 1.25 -1.05 0.00 0.00 178.16 178.82 1r3b h LEU 117 N 0.41 0.75 0.02 3.88 5.85 -0.48 -2.15 115.31 123.60 1r3b h LEU 117 Ca 0.02 -0.35 -0.24 0.00 0.84 0.00 0.00 57.88 58.15 1r3b h LEU 117 Cb 0.98 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1r3b h LEU 117 CO 0.09 1.08 -1.11 0.24 -0.34 0.00 0.00 178.44 178.39 1r3b h MET 118 N 0.57 0.19 0.59 1.25 2.86 -1.15 -3.26 114.93 115.98 1r3b h MET 118 Ca 0.04 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1r3b h MET 118 Cb 0.97 0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.74 1r3b h MET 118 CO 0.09 1.12 -0.29 1.15 1.06 0.00 0.00 176.91 180.04 1r3b h THR 119 N 0.06 0.31 -0.95 2.22 2.02 -0.67 -2.61 112.91 113.29 1r3b h THR 119 Ca -0.08 -0.28 0.26 0.00 0.77 0.00 0.00 66.41 67.08 1r3b h THR 119 Cb 1.83 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 1r3b h THR 119 CO 0.17 0.03 0.66 -0.25 0.37 0.00 0.00 175.52 176.51 1r3b h TRP 120 N -1.00 0.19 0.11 3.16 7.01 -1.52 0.73 115.95 124.63 1r3b h TRP 120 Ca -0.08 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1r3b h TRP 120 Cb 0.67 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 1r3b h TRP 120 CO -0.00 0.04 -0.05 0.28 -2.79 0.00 0.00 178.44 175.91 1r3b h VAL 121 N 0.13 1.10 0.00 2.65 2.07 -1.56 -3.17 116.25 117.46 1r3b h VAL 121 Ca 0.47 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1r3b h VAL 121 Cb 1.64 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1r3b h VAL 121 CO -0.07 0.23 0.00 -0.61 0.02 0.00 0.00 177.57 177.13 1r3b h GLN 122 N -0.61 0.00 -0.43 1.57 4.15 -0.83 -3.25 115.11 115.71 1r3b h GLN 122 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.48 1r3b h GLN 122 Cb 0.48 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.11 1r3b h GLN 122 CO 0.02 0.00 0.05 0.22 -1.93 0.00 0.00 178.83 177.19 1r3b h ASP 123 N 0.00 -0.08 -0.21 -0.69 3.58 0.45 0.75 116.42 120.22 1r3b h ASP 123 Ca 0.00 0.09 -0.12 0.00 0.42 0.00 0.00 57.03 57.42 1r3b h ASP 123 Cb 0.73 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 1r3b h ASP 123 CO 0.00 -0.01 -0.34 1.56 -2.88 0.00 0.00 179.24 177.57 1r3b h GLN 124 N 0.17 0.60 0.00 0.28 4.20 -1.64 0.60 115.11 119.31 1r3b h GLN 124 Ca 0.21 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1r3b h GLN 124 Cb 0.29 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1r3b h GLN 124 CO -0.31 0.98 0.00 -0.07 -0.67 0.00 0.00 178.83 178.75 1r3b h LEU 125 N 0.28 0.00 -1.30 1.46 3.38 -1.41 -0.23 115.31 117.50 1r3b h LEU 125 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1r3b h LEU 125 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1r3b h LEU 125 CO 0.08 0.00 -0.00 -0.67 0.09 0.00 0.00 178.44 177.93 1r3b n ASP 126 N -2.74 1.67 -3.84 -0.43 -0.08 0.25 -4.84 116.55 106.54 1r3b n ASP 126 Ca -0.02 -1.33 -0.30 0.00 -1.51 0.00 0.00 54.79 51.63 1r3b n ASP 126 Cb 0.09 0.01 -0.14 0.00 2.34 0.00 0.00 41.12 43.43 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1r3b s ASP 127 N -0.70 4.02 0.51 1.67 1.01 0.20 -4.94 116.67 118.45 1r3b s ASP 127 Ca 0.09 -2.76 0.27 0.00 0.71 0.00 0.00 52.55 50.86 1r3b s ASP 127 Cb 0.07 -1.34 1.39 0.00 1.01 0.00 0.00 42.92 44.05 1r3b s ASP 127 CO 0.10 -0.26 2.04 -0.08 0.21 0.00 0.00 175.17 177.19 1r3b h GLU 128 N 6.69 0.00 -0.44 8.23 4.57 -1.86 -2.57 114.58 129.21 1r3b h GLU 128 Ca -0.05 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.26 1r3b h GLU 128 Cb 0.92 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 1r3b h GLU 128 CO 0.58 0.13 0.33 1.79 -1.18 0.00 0.00 179.01 180.66 1r3b h THR 129 N 0.00 0.73 -0.01 0.32 1.35 -1.92 -0.36 112.91 113.03 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 0.39 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1r3b h THR 129 CO 0.02 0.00 -0.48 0.00 -0.25 0.00 0.00 175.52 174.81 1r3b n LEU 130 N -4.33 1.08 -4.70 3.87 -0.00 -0.99 -4.98 117.00 106.95 1r3b n LEU 130 Ca 0.08 -0.63 -0.29 0.00 -0.00 0.00 0.00 56.01 55.17 1r3b n LEU 130 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 1r3b n LEU 130 CO 0.35 0.23 -0.31 -0.36 -0.00 0.00 0.00 177.39 177.30 1r3b s PHE 131 N -2.04 2.99 0.59 1.47 0.40 -0.15 -5.09 117.98 116.16 1r3b s PHE 131 Ca 0.09 -0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.21 1r3b s PHE 131 Cb 0.11 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 1r3b s PHE 131 CO 0.47 0.50 1.06 -1.25 0.70 0.00 0.00 175.22 176.69 1r3b s PRO 132 N -2.57 3.33 0.00 0.24 0.04 -1.26 -4.76 135.00 130.02 1r3b s PRO 132 Ca 0.27 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1r3b s PRO 132 Cb -0.11 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1r3b s PRO 132 CO 0.19 -0.80 0.00 0.43 0.04 0.00 0.00 177.00 176.86 1r3b n SER 133 N -2.00 0.00 -4.91 6.66 7.64 -1.26 -5.06 113.62 114.68 1r3b n SER 133 Ca 0.09 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.76 1r3b n SER 133 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1r3b n SER 133 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1r3b s LYS 134 N 0.00 3.08 0.23 1.43 2.20 -1.26 -5.06 119.74 120.36 1r3b s LYS 134 Ca 0.00 -1.00 -0.32 0.00 -0.36 0.00 0.00 55.97 54.29 1r3b s LYS 134 Cb 0.00 -2.70 -0.12 0.00 -1.51 0.00 0.00 37.83 33.50 1r3b s LYS 134 CO 0.00 0.28 1.60 -0.89 -0.36 0.00 0.00 175.35 175.98 1r3b n ILE 135 N -1.38 0.48 0.00 5.43 -0.00 -1.26 -3.42 119.36 119.21 1r3b n ILE 135 Ca -0.05 -0.12 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1r3b n ILE 135 Cb 0.58 -1.80 0.00 0.00 -0.00 0.00 0.00 39.64 38.42 1r3b n ILE 135 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1r3b n GLY 136 N 2.99 2.83 3.74 7.39 0.00 -1.26 -5.09 105.19 115.79 1r3b n GLY 136 Ca 0.13 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1r3b n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r3b s VAL 137 N 0.00 2.10 0.81 1.61 -7.23 -1.22 -5.01 120.40 111.45 1r3b s VAL 137 Ca 0.00 0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.14 1r3b s VAL 137 Cb 0.00 -3.03 0.12 0.00 0.56 0.00 0.00 36.38 34.02 1r3b s VAL 137 CO 0.00 -0.01 1.14 -2.16 -0.31 0.00 0.00 175.10 173.76 1r3b s PRO 138 N -3.14 1.61 0.24 4.82 0.04 -1.26 -4.89 135.00 132.42 1r3b s PRO 138 Ca 0.77 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1r3b s PRO 138 Cb -0.38 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1r3b s PRO 138 CO 0.43 -1.70 0.00 1.19 0.04 0.00 0.00 177.00 176.96 1r3b n PHE 139 N -3.25 -2.24 -0.82 0.56 3.72 -1.26 -4.35 117.46 109.81 1r3b n PHE 139 Ca 0.11 0.46 -0.08 0.00 -0.05 0.00 0.00 57.45 57.90 1r3b n PHE 139 Cb 0.60 0.92 -0.11 0.00 -0.94 0.00 0.00 39.48 39.95 1r3b n PHE 139 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1r3b n PRO 140 N -3.23 1.64 0.11 -1.08 -0.04 -1.26 -1.93 135.00 129.21 1r3b n PRO 140 Ca 0.00 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1r3b n PRO 140 Cb 0.00 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 2.13 0.00 -0.11 0.54 5.02 -1.26 -4.92 118.16 119.55 1r3b n LYS 141 Ca 0.27 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.33 1r3b n LYS 141 Cb 0.77 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.67 1r3b n LYS 141 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1r3b n ASN 142 N -2.99 1.88 0.26 4.39 2.85 -1.25 -3.61 115.26 116.79 1r3b n ASN 142 Ca 0.00 0.41 0.09 0.00 -0.11 0.00 0.00 54.58 54.97 1r3b n ASN 142 Cb 0.00 -0.93 0.66 0.00 1.24 0.00 0.00 39.78 40.75 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1r3b h PHE 143 N -1.00 0.00 -0.01 1.20 3.57 -1.68 -0.57 116.94 118.46 1r3b h PHE 143 Ca -0.42 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1r3b h PHE 143 Cb 1.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.10 1r3b h PHE 143 CO 0.05 0.08 -0.01 0.52 -2.23 0.00 0.00 178.31 176.71 1r3b h MET 144 N 0.00 0.02 -0.37 1.11 2.86 -1.56 0.68 114.93 117.67 1r3b h MET 144 Ca -0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1r3b h MET 144 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1r3b h MET 144 CO 0.01 0.62 0.15 1.03 1.06 0.00 0.00 176.91 179.78 1r3b h SER 145 N -0.58 0.51 -0.44 1.22 0.87 -1.55 0.14 113.55 113.72 1r3b h SER 145 Ca -0.00 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 1r3b h SER 145 Cb 0.62 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1r3b h SER 145 CO 0.00 0.54 0.06 1.62 -0.53 0.00 0.00 176.83 178.52 1r3b h VAL 146 N 0.45 1.25 -0.52 2.23 3.04 -1.18 -2.47 116.25 119.04 1r3b h VAL 146 Ca 0.12 -0.91 -0.03 0.00 -1.01 0.00 0.00 66.70 64.87 1r3b h VAL 146 Cb 0.19 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 1r3b h VAL 146 CO -0.01 0.32 0.21 0.00 -1.01 0.00 0.00 177.57 177.08 1r3b h ALA 147 N 0.94 0.67 -0.50 3.17 0.00 -0.68 -2.53 119.26 120.34 1r3b h ALA 147 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1r3b h ALA 147 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1r3b h ALA 147 CO 0.01 0.29 0.33 0.87 0.00 0.00 0.00 179.25 180.75 1r3b h LYS 148 N 0.70 0.59 0.00 0.00 1.57 -0.60 -0.67 116.57 118.16 1r3b h LYS 148 Ca 0.17 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1r3b h LYS 148 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1r3b h LYS 148 CO -0.01 0.39 -0.25 1.15 -0.57 0.00 0.00 179.45 180.16 1r3b h THR 149 N 0.60 0.95 0.06 -0.16 2.02 -1.01 -2.17 112.91 113.21 1r3b h THR 149 Ca 0.19 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1r3b h THR 149 Cb 0.04 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1r3b h THR 149 CO -0.05 0.24 -0.03 0.40 0.37 0.00 0.00 175.52 176.46 1r3b h ILE 150 N 0.00 1.12 -0.16 3.11 2.04 -0.98 -2.53 117.51 120.12 1r3b h ILE 150 Ca -0.00 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.33 1r3b h ILE 150 Cb 0.51 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1r3b h ILE 150 CO 0.03 0.34 0.11 -0.07 0.00 0.00 0.00 178.15 178.55 1r3b h LEU 151 N -0.89 0.12 -0.08 1.44 -0.00 -1.44 0.28 115.31 114.74 1r3b h LEU 151 Ca -0.01 -0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.70 1r3b h LEU 151 Cb 0.61 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.26 1r3b h LEU 151 CO 0.01 0.08 -0.61 0.50 -0.00 0.00 0.00 178.44 178.42 1r3b h LYS 152 N 0.14 0.56 -0.03 1.13 3.64 -1.46 -2.60 116.57 117.94 1r3b h LYS 152 Ca 0.06 -0.49 -0.23 0.00 -1.27 0.00 0.00 60.65 58.72 1r3b h LYS 152 Cb 0.09 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1r3b h LYS 152 CO -0.01 1.12 -0.92 0.00 -2.27 0.00 0.00 179.45 177.37 1r3b h ARG 153 N 0.16 0.56 0.06 1.90 2.47 -0.96 -2.91 114.38 115.65 1r3b h ARG 153 Ca -0.05 -0.56 -0.00 0.00 -1.26 0.00 0.00 59.98 58.11 1r3b h ARG 153 Cb 1.27 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1r3b h ARG 153 CO 0.12 1.18 -0.03 -0.07 0.56 0.00 0.00 179.97 181.74 1r3b h LEU 154 N 0.34 -0.06 -1.25 3.04 3.38 -0.54 -3.07 115.31 117.14 1r3b h LEU 154 Ca -0.08 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1r3b h LEU 154 Cb 1.55 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 1r3b h LEU 154 CO 0.17 0.22 0.51 0.15 0.09 0.00 0.00 178.44 179.59 1r3b h PHE 155 N -0.35 0.96 -0.38 1.13 3.57 -1.57 -2.81 116.94 117.49 1r3b h PHE 155 Ca -0.01 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.59 1r3b h PHE 155 Cb 0.32 -0.32 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 1r3b h PHE 155 CO 0.02 0.59 -0.26 -0.09 -2.23 0.00 0.00 178.31 176.34 1r3b h ARG 156 N 1.03 -0.20 -0.71 1.11 9.65 -1.42 0.23 114.38 124.08 1r3b h ARG 156 Ca 0.29 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.19 1r3b h ARG 156 Cb -0.08 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 1r3b h ARG 156 CO -0.07 -0.13 0.47 0.28 2.80 0.00 0.00 179.97 183.32 1r3b h VAL 157 N -0.20 1.18 0.42 0.20 2.07 -1.49 -2.85 116.25 115.57 1r3b h VAL 157 Ca 0.18 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1r3b h VAL 157 Cb 0.49 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1r3b h VAL 157 CO -0.49 0.17 -0.23 0.22 0.02 0.00 0.00 177.57 177.27 1r3b h TYR 158 N 0.96 -0.59 -0.93 1.57 3.20 -0.88 -1.70 116.97 118.60 1r3b h TYR 158 Ca 0.26 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.29 1r3b h TYR 158 Cb -0.11 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.28 1r3b h TYR 158 CO 0.00 -0.36 0.59 0.00 -1.64 0.00 0.00 178.16 176.76 1r3b h ALA 159 N -0.03 1.89 0.29 1.82 0.00 -0.96 0.45 119.26 122.73 1r3b h ALA 159 Ca -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1r3b h ALA 159 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r3b h ALA 159 CO 0.07 -0.18 -0.14 0.45 0.00 0.00 0.00 179.25 179.46 1r3b h HIS 160 N 0.64 -0.36 -0.92 0.00 3.86 -1.30 -2.06 115.15 115.02 1r3b h HIS 160 Ca 0.49 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.74 1r3b h HIS 160 Cb 0.88 0.12 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 1r3b h HIS 160 CO -0.00 -0.03 0.58 0.97 0.86 0.00 0.00 177.93 180.31 1r3b h ILE 161 N -0.94 1.09 0.80 2.45 -0.00 -1.00 0.13 117.51 120.03 1r3b h ILE 161 Ca -0.04 -0.37 -0.04 0.00 -0.00 0.00 0.00 64.86 64.41 1r3b h ILE 161 Cb 0.50 -0.09 0.00 0.00 -0.00 0.00 0.00 36.82 37.23 1r3b h ILE 161 CO 0.07 0.20 -0.42 0.22 -0.00 0.00 0.00 178.15 178.22 1r3b h TYR 162 N 1.08 -1.09 0.00 2.19 5.03 -0.15 0.33 116.97 124.35 1r3b h TYR 162 Ca 0.39 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.68 1r3b h TYR 162 Cb 0.13 0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1r3b h TYR 162 CO -0.02 -0.66 0.00 1.12 -1.32 0.00 0.00 178.16 177.29 1r3b h HIS 163 N -1.12 0.00 0.00 -3.82 2.07 -1.18 -3.19 115.15 107.92 1r3b h HIS 163 Ca -0.11 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.41 1r3b h HIS 163 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.85 1r3b h HIS 163 CO -0.05 0.00 -0.51 0.94 -3.07 0.00 0.00 177.93 175.24 1r3b n GLN 164 N -2.54 0.44 -2.99 5.12 -0.06 0.45 -4.66 117.38 113.14 1r3b n GLN 164 Ca 0.03 0.50 -0.36 0.00 -2.00 0.00 0.00 57.00 55.17 1r3b n GLN 164 Cb 0.33 -1.64 -0.02 0.00 -4.06 0.00 0.00 30.24 24.84 1r3b n GLN 164 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1r3b n HIS 165 N -4.52 3.05 -0.08 3.69 -0.00 0.09 -4.81 115.22 112.65 1r3b n HIS 165 Ca -0.07 -3.21 -0.12 0.00 -0.00 0.00 0.00 57.72 54.32 1r3b n HIS 165 Cb 0.27 -0.93 -0.05 0.00 -0.00 0.00 0.00 29.99 29.28 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 4.34 0.50 -0.80 4.41 3.57 -1.71 -3.13 116.94 124.13 1r3b h PHE 166 Ca 0.28 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1r3b h PHE 166 Cb 0.52 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1r3b h PHE 166 CO 1.00 0.69 0.52 0.22 -2.23 0.00 0.00 178.31 178.50 1r3b h ASP 167 N 0.17 0.87 -0.55 0.41 3.58 -1.90 -1.74 116.42 117.26 1r3b h ASP 167 Ca 0.06 -0.01 0.12 0.00 0.42 0.00 0.00 57.03 57.61 1r3b h ASP 167 Cb 0.53 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 1r3b h ASP 167 CO 0.02 0.62 0.38 0.00 -2.88 0.00 0.00 179.24 177.38 1r3b h ALA 168 N 1.31 2.22 0.18 -0.78 0.00 -1.93 0.50 119.26 120.76 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 -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1r3b h ALA 168 CO -0.09 -0.36 -0.09 0.28 0.00 0.00 0.00 179.25 178.99 1r3b h VAL 169 N 0.22 0.89 -0.11 0.00 2.07 -1.28 -2.77 116.25 115.27 1r3b h VAL 169 Ca 0.26 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 1r3b h VAL 169 Cb 0.73 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1r3b h VAL 169 CO -0.05 0.07 -0.62 0.00 0.02 0.00 0.00 177.57 176.99 1r3b h MET 170 N -0.39 0.40 -0.14 1.57 3.00 -1.32 -2.94 114.93 115.11 1r3b h MET 170 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 59.70 59.44 1r3b h MET 170 Cb 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 31.60 31.94 1r3b h MET 170 CO 0.04 0.89 0.24 1.96 0.00 0.00 0.00 176.91 180.05 1r3b h GLN 171 N 0.29 0.00 -0.46 -0.10 1.08 0.08 0.27 115.11 116.27 1r3b h GLN 171 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1r3b h GLN 171 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1r3b h GLN 171 CO 0.11 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.27 1r3b n LEU 172 N -3.45 1.63 -1.91 1.46 4.77 -1.06 -4.86 117.00 113.58 1r3b n LEU 172 Ca 0.01 -0.82 -0.17 0.00 -0.03 0.00 0.00 56.01 55.00 1r3b n LEU 172 Cb 0.34 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1r3b n LEU 172 CO 0.23 0.32 -0.21 0.00 -1.33 0.00 0.00 177.39 176.40 1r3b n GLN 173 N 0.16 -1.38 -2.73 3.23 6.02 0.94 -4.92 117.38 118.70 1r3b n GLN 173 Ca 0.08 0.81 -0.05 0.00 -0.01 0.00 0.00 57.00 57.83 1r3b n GLN 173 Cb 0.31 -5.24 0.03 0.00 1.02 0.00 0.00 30.24 26.37 1r3b n GLN 173 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1r3b n GLU 174 N -2.62 0.47 0.10 -1.09 1.02 -1.23 -5.01 120.64 112.28 1r3b n GLU 174 Ca -0.20 -1.55 -0.18 0.00 -0.02 0.00 0.00 57.16 55.21 1r3b n GLU 174 Cb 0.65 -1.02 -0.14 0.00 -0.02 0.00 0.00 31.44 30.91 1r3b n GLU 174 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1r3b h GLU 175 N 4.35 0.31 0.00 3.49 4.81 -1.79 -3.27 114.58 122.47 1r3b h GLU 175 Ca -0.05 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 1r3b h GLU 175 Cb 1.11 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1r3b h GLU 175 CO 0.05 1.23 -0.03 0.00 -0.73 0.00 0.00 179.01 179.53 1r3b h ALA 176 N 0.48 1.55 -0.18 2.92 0.00 -1.95 -2.72 119.26 119.36 1r3b h ALA 176 Ca -0.19 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1r3b h ALA 176 Cb 2.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 1r3b h ALA 176 CO 0.20 0.04 -0.11 1.25 0.00 0.00 0.00 179.25 180.62 1r3b h HIS 177 N 0.00 -0.28 -0.70 0.00 2.76 -1.95 0.90 115.15 115.89 1r3b h HIS 177 Ca -0.00 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1r3b h HIS 177 Cb 0.07 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 1r3b h HIS 177 CO 0.00 -0.17 0.43 1.25 -1.30 0.00 0.00 177.93 178.13 1r3b h LEU 178 N -0.11 0.84 -0.91 0.26 5.85 -1.68 -1.65 115.31 117.91 1r3b h LEU 178 Ca 0.10 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1r3b h LEU 178 Cb 0.26 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1r3b h LEU 178 CO -0.25 0.65 -0.42 -1.13 -0.34 0.00 0.00 178.44 176.96 1r3b h ASN 179 N 0.96 0.27 0.27 1.25 -0.00 -1.40 -2.45 115.58 114.48 1r3b h ASN 179 Ca 0.25 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.30 56.42 1r3b h ASN 179 Cb -0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.21 1r3b h ASN 179 CO -0.05 0.66 -0.13 0.74 -0.00 0.00 0.00 177.43 178.65 1r3b h THR 180 N 0.21 0.77 -0.15 -3.57 2.02 0.15 -0.90 112.91 111.44 1r3b h THR 180 Ca 0.02 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1r3b h THR 180 Cb 0.83 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1r3b h THR 180 CO 0.07 0.07 0.05 0.28 0.37 0.00 0.00 175.52 176.35 1r3b h SER 181 N -0.54 0.18 -0.22 4.18 0.02 -1.31 -2.33 113.55 113.53 1r3b h SER 181 Ca -0.04 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1r3b h SER 181 Cb 0.40 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1r3b h SER 181 CO 0.06 0.18 -0.09 0.15 -1.14 0.00 0.00 176.83 175.99 1r3b h PHE 182 N 0.21 0.51 -0.54 3.45 3.04 -1.17 -2.96 116.94 119.48 1r3b h PHE 182 Ca 0.05 -0.12 0.04 0.00 3.98 0.00 0.00 57.97 61.92 1r3b h PHE 182 Cb 0.07 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 1r3b h PHE 182 CO 0.00 0.72 0.36 0.87 -2.02 0.00 0.00 178.31 178.24 1r3b h LYS 183 N 0.16 0.57 -0.51 1.11 1.57 -0.64 -1.02 116.57 117.80 1r3b h LYS 183 Ca 0.05 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1r3b h LYS 183 Cb 0.57 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1r3b h LYS 183 CO 0.03 0.37 0.10 1.25 -0.57 0.00 0.00 179.45 180.64 1r3b h HIS 184 N 0.58 0.82 0.00 -1.35 2.76 -1.31 0.90 115.15 117.55 1r3b h HIS 184 Ca 0.22 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1r3b h HIS 184 Cb 0.15 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1r3b h HIS 184 CO -0.00 0.71 -0.22 0.74 -1.30 0.00 0.00 177.93 177.85 1r3b h PHE 185 N 0.76 0.00 0.00 5.26 -1.00 -1.05 -1.33 116.94 119.58 1r3b h PHE 185 Ca 0.17 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.80 1r3b h PHE 185 Cb 0.31 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 1r3b h PHE 185 CO 0.02 0.22 -1.16 -0.89 -1.61 0.00 0.00 178.31 174.89 1r3b n ILE 186 N -3.51 1.49 -0.21 -0.55 -0.00 -0.70 -3.80 119.36 112.07 1r3b n ILE 186 Ca -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 62.75 62.76 1r3b n ILE 186 Cb 0.38 -2.20 0.10 0.00 -0.00 0.00 0.00 39.64 37.93 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 0.56 0.52 1.39 0.04 0.71 0.24 116.94 119.40 1r3b h PHE 187 Ca -0.22 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1r3b h PHE 187 Cb 1.02 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1r3b h PHE 187 CO -0.15 0.23 -0.36 0.35 -0.60 0.00 0.00 178.31 177.79 1r3b h PHE 188 N 0.56 -0.96 -0.70 -0.55 3.57 -1.41 0.71 116.94 118.17 1r3b h PHE 188 Ca 0.30 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1r3b h PHE 188 Cb 0.26 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1r3b h PHE 188 CO -0.11 -0.54 0.36 -0.39 -2.23 0.00 0.00 178.31 175.40 1r3b h VAL 189 N -0.85 1.22 -0.06 1.41 -1.51 -1.60 -2.24 116.25 112.61 1r3b h VAL 189 Ca -0.06 -0.58 -0.14 0.00 -1.23 0.00 0.00 66.70 64.69 1r3b h VAL 189 Cb 0.71 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1r3b h VAL 189 CO 0.03 0.25 -0.61 -0.61 -1.23 0.00 0.00 177.57 175.41 1r3b h GLN 190 N 0.98 0.20 0.21 5.19 4.15 -0.26 1.00 115.11 126.57 1r3b h GLN 190 Ca 0.24 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1r3b h GLN 190 Cb 0.06 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1r3b h GLN 190 CO -0.04 0.74 -0.10 1.49 -1.93 0.00 0.00 178.83 179.00 1r3b h GLU 191 N 0.15 -0.27 -0.63 1.69 4.57 0.10 -3.18 114.58 117.01 1r3b h GLU 191 Ca -0.01 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1r3b h GLU 191 Cb 1.10 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1r3b h GLU 191 CO 0.09 -0.01 0.00 1.19 -1.18 0.00 0.00 179.01 179.10 1r3b n PHE 192 N -5.11 0.84 -3.11 0.92 3.01 -0.95 -4.94 117.46 108.11 1r3b n PHE 192 Ca -0.09 -0.43 -0.22 0.00 1.01 0.00 0.00 57.45 57.72 1r3b n PHE 192 Cb 0.21 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.58 -4.67 -0.32 4.37 5.15 0.31 -4.85 115.26 116.84 1r3b n ASN 193 Ca 0.23 -0.27 -0.03 0.00 -0.60 0.00 0.00 54.58 53.90 1r3b n ASN 193 Cb 0.61 -3.83 0.09 0.00 -0.53 0.00 0.00 39.78 36.12 1r3b n ASN 193 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1r3b h LEU 194 N -0.99 0.97 -8.89 1.20 7.12 -0.81 -3.42 115.31 110.49 1r3b h LEU 194 Ca -0.45 -0.02 -0.69 0.00 0.13 0.00 0.00 57.88 56.85 1r3b h LEU 194 Cb 1.31 -0.24 -0.24 0.00 -0.53 0.00 0.00 40.66 40.97 1r3b h LEU 194 CO 0.53 0.70 -0.79 -0.63 -0.13 0.00 0.00 178.44 178.11 1r3b s ILE 195 N -6.12 2.91 -0.05 4.05 -1.09 -1.25 -4.99 121.20 114.66 1r3b s ILE 195 Ca -0.13 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1r3b s ILE 195 Cb 0.16 -2.15 0.06 0.00 -1.58 0.00 0.00 42.46 38.95 1r3b s ILE 195 CO 0.80 0.54 0.89 -0.67 -1.23 0.00 0.00 174.94 175.26 1r3b n ASP 196 N 2.16 -0.86 -0.94 3.58 2.03 -1.26 -4.78 116.55 116.48 1r3b n ASP 196 Ca -0.17 -1.65 0.00 0.00 0.52 0.00 0.00 54.79 53.49 1r3b n ASP 196 Cb 0.52 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 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 -0.22 1.83 0.12 -0.67 1.74 -1.26 -5.01 116.66 113.20 1r3b n ARG 197 Ca -0.21 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 56.97 1r3b n ARG 197 Cb 0.64 0.00 0.47 0.00 -1.02 0.00 0.00 32.46 32.55 1r3b n ARG 197 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1r3b n ARG 198 N 0.00 0.14 -0.21 5.56 3.00 -1.26 -2.86 116.66 121.03 1r3b n ARG 198 Ca 0.00 0.48 0.30 0.00 -0.01 0.00 0.00 57.85 58.62 1r3b n ARG 198 Cb 0.00 -1.84 0.73 0.00 0.00 0.00 0.00 32.46 31.35 1r3b n ARG 198 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1r3b h GLU 199 N 0.00 0.00 -0.79 5.56 4.81 -2.01 0.86 114.58 123.00 1r3b h GLU 199 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1r3b h GLU 199 Cb 0.21 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1r3b h GLU 199 CO 0.00 0.00 0.10 1.28 -0.73 0.00 0.00 179.01 179.66 1r3b n LEU 200 N -4.21 4.41 0.43 1.64 4.77 -1.14 -4.50 117.00 118.39 1r3b n LEU 200 Ca 0.20 -2.26 -0.19 0.00 -0.03 0.00 0.00 56.01 53.73 1r3b n LEU 200 Cb 1.04 -0.65 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1r3b n LEU 200 CO 0.39 0.58 0.58 0.00 -1.33 0.00 0.00 177.39 177.61 1r3b h ALA 201 N 2.85 -1.14 0.00 -1.18 0.00 0.53 -3.30 119.26 117.02 1r3b h ALA 201 Ca 0.10 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 1r3b h ALA 201 Cb 1.64 0.49 0.06 0.00 0.00 0.00 0.00 17.79 19.99 1r3b h ALA 201 CO 0.42 -1.15 2.00 -0.35 0.00 0.00 0.00 179.25 180.17 1r3b n PRO 202 N -5.58 1.09 0.00 0.00 -0.04 -1.26 -3.23 135.00 125.98 1r3b n PRO 202 Ca -0.15 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1r3b n PRO 202 Cb 0.46 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1r3b n PRO 202 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r3b n LEU 203 N 7.03 0.00 0.31 1.53 0.00 -1.24 -4.86 117.00 119.76 1r3b n LEU 203 Ca 0.43 0.00 0.17 0.00 0.00 0.00 0.00 56.01 56.61 1r3b n LEU 203 Cb 0.32 0.28 0.99 0.00 0.00 0.00 0.00 43.42 45.01 1r3b n LEU 203 CO 0.97 -0.47 1.14 -0.61 0.00 0.00 0.00 177.39 178.42 1r3b h GLN 204 N 0.00 0.00 0.00 1.96 4.15 -1.76 -1.03 115.11 118.43 1r3b h GLN 204 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 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 -0.07 1.49 -1.93 0.00 0.00 178.83 178.33 1r3b h GLU 205 N 0.00 0.04 -0.01 1.69 4.81 -1.90 -2.33 114.58 116.88 1r3b h GLU 205 Ca -0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1r3b h GLU 205 Cb 0.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1r3b h GLU 205 CO 0.00 0.84 -0.42 1.37 -0.73 0.00 0.00 179.01 180.07 1r3b h LEU 206 N -0.73 0.02 -0.00 1.64 8.10 -1.80 -0.74 115.31 121.80 1r3b h LEU 206 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 57.88 57.97 1r3b h LEU 206 Cb 0.86 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 41.08 1r3b h LEU 206 CO 0.01 0.44 -0.01 0.40 -4.11 0.00 0.00 178.44 175.18 1r3b h ILE 207 N 0.02 1.52 -0.43 0.15 2.04 -1.28 -2.46 117.51 117.06 1r3b h ILE 207 Ca -0.00 -1.54 -0.07 0.00 1.00 0.00 0.00 64.86 64.25 1r3b h ILE 207 Cb 0.75 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 1r3b h ILE 207 CO 0.06 0.40 -0.02 1.05 0.00 0.00 0.00 178.15 179.63 1r3b h GLU 208 N -0.64 0.78 -0.10 2.37 -0.00 -1.40 -2.77 114.58 112.83 1r3b h GLU 208 Ca -0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 59.36 59.08 1r3b h GLU 208 Cb 0.66 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.34 1r3b h GLU 208 CO 0.00 0.86 -0.05 -0.22 -0.00 0.00 0.00 179.01 179.60 1r3b h LYS 209 N 0.61 0.14 -0.20 1.06 3.64 -1.23 0.45 116.57 121.06 1r3b h LYS 209 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1r3b h LYS 209 Cb 0.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1r3b h LYS 209 CO 0.03 0.20 0.07 1.25 -2.27 0.00 0.00 179.45 178.73 1r3b h LEU 210 N 0.14 0.27 -0.26 5.20 6.46 -1.15 -3.05 115.31 122.91 1r3b h LEU 210 Ca 0.03 -0.17 -0.17 0.00 -0.12 0.00 0.00 57.88 57.45 1r3b h LEU 210 Cb 0.18 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1r3b h LEU 210 CO 0.01 0.37 -0.81 1.23 -0.62 0.00 0.00 178.44 178.62 1r3b h GLY 211 N 0.16 0.00 -4.67 3.75 0.00 -1.35 -3.50 103.07 97.46 1r3b h GLY 211 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1r3b h GLY 211 CO -0.00 0.00 -0.98 1.44 0.00 0.00 0.00 176.54 177.00 1r3b n SER 212 N -3.47 -9.53 -4.30 0.19 7.64 0.12 -5.07 113.62 99.20 1r3b n SER 212 Ca -0.00 1.82 -0.19 0.00 1.01 0.00 0.00 58.87 61.51 1r3b n SER 212 Cb 0.81 -5.19 -0.10 0.00 -1.01 0.00 0.00 64.21 58.71 1r3b n SER 212 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1r3b s LYS 213 N -0.64 1.55 -0.05 1.43 -2.85 -1.26 -5.08 119.74 112.84 1r3b s LYS 213 Ca 0.00 -1.86 -0.22 0.00 -1.00 0.00 0.00 55.97 52.89 1r3b s LYS 213 Cb 0.00 -0.44 0.05 0.00 -2.06 0.00 0.00 37.83 35.38 1r3b s LYS 213 CO 0.00 -0.30 0.49 0.16 0.10 0.00 0.00 175.35 175.80 1r3b s ASP 214 N -3.39 -0.43 0.00 0.03 -4.77 -1.26 -5.13 116.67 101.72 1r3b s ASP 214 Ca 0.36 0.46 0.00 0.00 -3.30 0.00 0.00 52.55 50.07 1r3b s ASP 214 Cb 0.07 0.49 0.00 0.00 -1.09 0.00 0.00 42.92 42.39 1r3b s ASP 214 CO 0.15 -0.49 0.00 0.54 0.70 0.00 0.00 175.17 176.07