#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 4.03 3.24 3.17 0.00 -1.26 -5.08 105.19 109.29 1r3b n GLY 15 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 16 N 0.00 5.84 -0.06 1.61 0.15 -1.26 -5.06 113.70 114.93 1r3b s SER 16 Ca 0.00 -1.94 -0.30 0.00 0.70 0.00 0.00 55.95 54.41 1r3b s SER 16 Cb 0.00 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1r3b s SER 16 CO 0.00 -0.72 1.25 -0.55 1.20 0.00 0.00 173.24 174.42 1r3b s SER 17 N 2.82 6.99 0.28 5.45 0.15 -1.26 -5.03 113.70 123.10 1r3b s SER 17 Ca 0.06 1.87 0.11 0.00 0.70 0.00 0.00 55.95 58.68 1r3b s SER 17 Cb -0.26 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.44 1r3b s SER 17 CO -0.00 -0.64 -0.12 -2.28 1.20 0.00 0.00 173.24 171.40 1r3b s HIS 18 N 2.43 2.45 0.00 3.44 5.65 -1.26 -5.05 115.29 122.94 1r3b s HIS 18 Ca 0.58 -0.30 0.00 0.00 0.25 0.00 0.00 55.06 55.59 1r3b s HIS 18 Cb -0.26 -1.08 0.00 0.00 -1.18 0.00 0.00 32.58 30.06 1r3b s HIS 18 CO 0.22 0.68 0.00 0.72 -0.65 0.00 0.00 174.74 175.71 1r3b n HIS 19 N -0.73 0.00 -1.28 3.88 -0.00 -1.26 -5.15 115.22 110.67 1r3b n HIS 19 Ca -0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.75 1r3b n HIS 19 Cb 0.60 0.01 -0.05 0.00 -0.00 0.00 0.00 29.99 30.55 1r3b n HIS 19 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r3b n HIS 20 N -2.48 -3.48 -3.66 4.41 -0.00 -1.26 -5.02 115.22 103.73 1r3b n HIS 20 Ca 0.00 1.91 -0.08 0.00 -0.00 0.00 0.00 57.72 59.55 1r3b n HIS 20 Cb 0.44 -3.09 -0.09 0.00 -0.00 0.00 0.00 29.99 27.25 1r3b n HIS 20 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1r3b s HIS 21 N -4.60 -0.87 -0.19 1.57 0.00 -1.26 -5.14 115.29 104.81 1r3b s HIS 21 Ca 0.00 1.68 -0.05 0.00 -3.00 0.00 0.00 55.06 53.69 1r3b s HIS 21 Cb 0.00 0.43 0.07 0.00 -4.00 0.00 0.00 32.58 29.08 1r3b s HIS 21 CO 0.00 -0.48 0.12 -3.38 -1.00 0.00 0.00 174.74 170.00 1r3b s HIS 22 N 2.17 0.09 -0.00 0.38 0.00 -1.26 -5.14 115.29 111.53 1r3b s HIS 22 Ca -0.06 -0.23 0.04 0.00 -3.00 0.00 0.00 55.06 51.81 1r3b s HIS 22 Cb -0.10 -0.63 -0.03 0.00 -4.00 0.00 0.00 32.58 27.82 1r3b s HIS 22 CO -0.15 -0.55 -0.09 -1.01 -1.00 0.00 0.00 174.74 171.93 1r3b s HIS 23 N 2.18 2.82 0.34 0.38 0.09 -1.26 -5.13 115.29 114.72 1r3b s HIS 23 Ca 0.04 -0.08 0.03 0.00 -0.00 0.00 0.00 55.06 55.05 1r3b s HIS 23 Cb -0.16 -1.59 -0.02 0.00 -0.00 0.00 0.00 32.58 30.81 1r3b s HIS 23 CO -0.12 0.33 0.51 0.45 -0.00 0.00 0.00 174.74 175.92 1r3b s SER 24 N -1.32 6.09 -0.22 1.40 0.15 -1.26 -5.12 113.70 113.43 1r3b s SER 24 Ca 0.16 0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.81 1r3b s SER 24 Cb -0.11 -1.63 0.07 0.00 -1.71 0.00 0.00 66.02 62.64 1r3b s SER 24 CO 0.06 -0.39 0.54 -0.44 1.20 0.00 0.00 173.24 174.21 1r3b s SER 25 N -4.11 -0.70 0.00 5.45 0.01 -1.26 -5.09 113.70 108.01 1r3b s SER 25 Ca 0.42 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.85 1r3b s SER 25 Cb -0.10 1.05 0.00 0.00 0.21 0.00 0.00 66.02 67.19 1r3b s SER 25 CO 0.33 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1r3b n GLY 26 N 4.17 -1.76 2.96 3.44 0.00 -1.26 -5.14 105.19 107.60 1r3b n GLY 26 Ca -0.21 0.75 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 3.35 -0.49 0.99 2.34 -1.26 -5.07 118.68 118.54 1r3b s LEU 27 Ca 0.00 -1.57 0.02 0.00 0.06 0.00 0.00 54.13 52.65 1r3b s LEU 27 Cb 0.00 -1.35 0.13 0.00 -0.56 0.00 0.00 46.19 44.41 1r3b s LEU 27 CO 0.00 -0.29 0.24 -0.69 -1.06 0.00 0.00 176.35 174.55 1r3b s VAL 28 N 1.22 2.75 0.59 1.48 1.01 -1.26 -5.10 120.40 121.09 1r3b s VAL 28 Ca 0.00 -2.98 -0.16 0.00 0.00 0.00 0.00 61.98 58.84 1r3b s VAL 28 Cb -0.19 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1r3b s VAL 28 CO -0.09 -0.76 1.08 -2.16 0.00 0.00 0.00 175.10 173.17 1r3b s PRO 29 N 0.09 3.22 0.38 2.72 0.04 -1.26 -5.07 135.00 135.12 1r3b s PRO 29 Ca 0.15 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1r3b s PRO 29 Cb -0.23 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 1r3b s PRO 29 CO -0.03 -0.91 0.00 0.54 0.04 0.00 0.00 177.00 176.65 1r3b n ARG 30 N -1.94 1.07 0.00 4.56 3.00 -1.26 -5.14 116.66 116.95 1r3b n ARG 30 Ca 0.10 -2.78 0.00 0.00 -0.01 0.00 0.00 57.85 55.16 1r3b n ARG 30 Cb 0.52 0.76 0.00 0.00 0.00 0.00 0.00 32.46 33.74 1r3b n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1r3b n GLY 31 N 0.44 -0.94 3.44 -0.13 0.00 -1.26 -5.17 105.19 101.57 1r3b n GLY 31 Ca -0.16 0.84 -0.31 0.00 0.00 0.00 0.00 46.02 46.39 1r3b n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 32 N 0.00 3.73 0.07 1.61 1.04 -1.26 -5.13 113.70 113.76 1r3b s SER 32 Ca 0.00 -0.38 -0.14 0.00 0.48 0.00 0.00 55.95 55.91 1r3b s SER 32 Cb 0.00 -0.62 0.02 0.00 0.10 0.00 0.00 66.02 65.52 1r3b s SER 32 CO 0.00 0.28 0.32 0.00 0.98 0.00 0.00 173.24 174.82 1r3b s ALA 33 N -0.84 -0.69 -0.12 5.32 0.00 -1.26 -5.00 121.76 119.18 1r3b s ALA 33 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 1r3b s ALA 33 Cb -0.10 0.45 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1r3b s ALA 33 CO 0.03 -0.49 0.25 0.99 0.00 0.00 0.00 175.76 176.54 1r3b s THR 34 N -3.11 -0.21 -0.18 0.00 2.01 -1.26 -5.14 115.64 107.75 1r3b s THR 34 Ca -0.01 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.16 1r3b s THR 34 Cb 0.01 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1r3b s THR 34 CO -0.07 0.09 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.70 1r3b s LEU 35 N 1.79 3.19 -0.04 4.42 1.98 -1.26 -5.10 118.68 123.66 1r3b s LEU 35 Ca -0.04 -0.19 0.03 0.00 -2.89 0.00 0.00 54.13 51.03 1r3b s LEU 35 Cb -0.11 -1.78 0.01 0.00 0.66 0.00 0.00 46.19 44.96 1r3b s LEU 35 CO -0.09 0.12 -0.11 -0.83 -1.89 0.00 0.00 176.35 173.55 1r3b s GLY 36 N 0.68 0.66 0.47 7.98 0.00 -1.26 -5.15 107.32 110.70 1r3b s GLY 36 Ca -0.02 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.37 1r3b s GLY 36 CO 0.02 -0.02 0.35 1.44 0.00 0.00 0.00 173.10 174.89 1r3b n SER 37 N 3.49 2.54 0.00 1.64 7.64 -1.26 -5.10 113.62 122.58 1r3b n SER 37 Ca -0.20 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.03 1r3b n SER 37 Cb 0.53 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1r3b n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r3b n GLY 38 N -0.72 0.62 3.34 0.23 0.00 -1.26 -5.03 105.19 102.37 1r3b n GLY 38 Ca -0.02 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 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 -4.00 4.82 0.00 1.61 0.01 -1.26 -4.99 114.94 111.14 1r3b s ASN 39 Ca 0.00 -0.52 -0.21 0.00 -0.71 0.00 0.00 52.86 51.42 1r3b s ASN 39 Cb 0.00 -1.83 -0.21 0.00 0.41 0.00 0.00 41.25 39.62 1r3b s ASN 39 CO 0.00 -0.10 1.14 0.25 -1.51 0.00 0.00 177.10 176.88 1r3b h LEU 40 N 8.18 0.44 -0.30 0.60 7.12 -1.98 -2.90 115.31 126.46 1r3b h LEU 40 Ca -0.36 -0.70 0.00 0.00 0.13 0.00 0.00 57.88 56.96 1r3b h LEU 40 Cb 1.14 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.13 1r3b h LEU 40 CO 0.60 1.08 0.20 -0.09 -0.13 0.00 0.00 178.44 180.09 1r3b h ARG 41 N -0.15 0.39 -0.80 1.25 2.43 -1.99 -2.36 114.38 113.16 1r3b h ARG 41 Ca -0.04 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1r3b h ARG 41 Cb 1.10 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.51 1r3b h ARG 41 CO 0.08 0.26 0.50 0.37 -1.51 0.00 0.00 179.97 179.67 1r3b h GLN 42 N 0.41 0.91 0.00 0.20 4.15 -1.84 0.39 115.11 119.33 1r3b h GLN 42 Ca 0.11 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1r3b h GLN 42 Cb -0.05 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.44 1r3b h GLN 42 CO -0.03 0.60 0.00 0.00 -1.93 0.00 0.00 178.83 177.48 1r3b n ALA 43 N -2.34 1.50 -0.04 3.38 0.00 -1.00 -2.43 120.51 119.58 1r3b n ALA 43 Ca 0.10 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 1r3b n ALA 43 Cb 0.13 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 1r3b n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3b n VAL 44 N -2.24 1.57 -4.70 0.00 0.31 0.04 -4.88 118.33 108.43 1r3b n VAL 44 Ca 0.01 -0.79 -0.30 0.00 -0.01 0.00 0.00 64.34 63.25 1r3b n VAL 44 Cb 0.18 -0.98 -0.17 0.00 -0.91 0.00 0.00 33.84 31.96 1r3b n VAL 44 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1r3b s MET 45 N -2.57 2.65 -0.36 5.55 1.00 -0.66 -4.96 119.30 119.96 1r3b s MET 45 Ca -0.08 -0.72 -0.45 0.00 0.00 0.00 0.00 55.69 54.44 1r3b s MET 45 Cb 0.07 -2.14 -0.19 0.00 0.00 0.00 0.00 34.83 32.57 1r3b s MET 45 CO 0.81 0.01 1.50 1.28 0.00 0.00 0.00 175.02 178.62 1r3b n LEU 46 N 3.99 1.08 -4.65 -0.03 4.77 -1.26 -4.68 117.00 116.22 1r3b n LEU 46 Ca -0.20 1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.53 1r3b n LEU 46 Cb 0.52 -0.92 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1r3b n LEU 46 CO 0.26 -1.03 1.11 -2.16 -1.33 0.00 0.00 177.39 174.24 1r3b s PRO 47 N 2.36 4.09 0.89 3.23 0.04 -1.26 -4.85 135.00 139.49 1r3b s PRO 47 Ca 1.01 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1r3b s PRO 47 Cb -1.39 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1r3b s PRO 47 CO 0.74 -0.90 0.00 0.39 0.04 0.00 0.00 177.00 177.28 1r3b n GLU 48 N 6.93 -1.83 -1.66 4.56 1.02 -1.26 -4.46 120.64 123.95 1r3b n GLU 48 Ca 0.14 1.20 -0.41 0.00 -0.02 0.00 0.00 57.16 58.08 1r3b n GLU 48 Cb 0.46 -2.23 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1r3b n GLU 48 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1r3b s GLY 49 N -6.53 0.23 0.13 0.62 0.00 -1.26 -4.92 107.32 95.58 1r3b s GLY 49 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 44.72 45.08 1r3b s GLY 49 CO 0.00 3.83 0.16 1.85 0.00 0.00 0.00 173.10 178.94 1r3b s GLU 50 N 6.91 0.98 0.33 2.90 2.56 -1.26 -5.16 118.70 125.95 1r3b s GLU 50 Ca 0.96 -1.25 -0.19 0.00 0.00 0.00 0.00 54.97 54.49 1r3b s GLU 50 Cb -0.26 0.31 -0.09 0.00 2.00 0.00 0.00 34.13 36.08 1r3b s GLU 50 CO 0.31 -0.31 0.80 -0.51 -0.56 0.00 0.00 175.26 175.00 1r3b s ASP 51 N -2.98 6.93 -0.01 -1.70 1.01 -1.26 -5.00 116.67 113.66 1r3b s ASP 51 Ca 0.17 1.46 -0.25 0.00 0.71 0.00 0.00 52.55 54.64 1r3b s ASP 51 Cb 0.05 -2.44 -0.19 0.00 1.01 0.00 0.00 42.92 41.35 1r3b s ASP 51 CO -0.02 -0.17 1.26 0.25 0.21 0.00 0.00 175.17 176.70 1r3b h LEU 52 N 2.52 -0.07 -1.67 1.23 5.85 -2.01 -2.61 115.31 118.55 1r3b h LEU 52 Ca -0.48 -0.40 0.35 0.00 0.84 0.00 0.00 57.88 58.20 1r3b h LEU 52 Cb 1.18 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 1r3b h LEU 52 CO 0.64 0.37 0.84 0.78 -0.34 0.00 0.00 178.44 180.73 1r3b h ASN 53 N -0.52 0.20 -0.02 1.25 2.35 -2.00 0.59 115.58 117.41 1r3b h ASN 53 Ca -0.01 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1r3b h ASN 53 Cb 0.46 0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.87 1r3b h ASN 53 CO 0.01 -0.00 -0.52 -0.08 -1.65 0.00 0.00 177.43 175.19 1r3b h GLU 54 N 0.15 0.39 -0.39 0.81 4.81 -1.95 -3.04 114.58 115.36 1r3b h GLU 54 Ca 0.65 -0.39 0.08 0.00 -0.13 0.00 0.00 59.36 59.57 1r3b h GLU 54 Cb 2.18 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 31.59 1r3b h GLU 54 CO -0.18 1.06 -0.11 2.35 -0.73 0.00 0.00 179.01 181.40 1r3b h TRP 55 N -0.12 -0.24 -0.17 0.92 -0.00 0.50 0.50 115.95 117.35 1r3b h TRP 55 Ca -0.06 0.04 0.04 0.00 -0.00 0.00 0.00 58.89 58.91 1r3b h TRP 55 Cb 1.22 0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 30.50 1r3b h TRP 55 CO 0.14 -0.18 -0.12 0.82 -0.00 0.00 0.00 178.44 179.10 1r3b h ILE 56 N -0.02 0.66 -0.37 2.65 2.04 -1.24 0.15 117.51 121.38 1r3b h ILE 56 Ca 0.19 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 1r3b h ILE 56 Cb 0.30 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1r3b h ILE 56 CO -0.41 0.00 0.01 0.00 0.00 0.00 0.00 178.15 177.74 1r3b h ALA 57 N 1.01 1.32 -0.10 1.87 0.00 -1.23 -0.24 119.26 121.88 1r3b h ALA 57 Ca 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1r3b h ALA 57 Cb 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1r3b h ALA 57 CO -0.24 0.47 -0.00 0.28 0.00 0.00 0.00 179.25 179.75 1r3b h VAL 58 N 0.56 1.25 0.00 0.00 2.07 0.94 -3.18 116.25 117.90 1r3b h VAL 58 Ca 0.12 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1r3b h VAL 58 Cb 0.35 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1r3b h VAL 58 CO 0.01 0.23 -0.44 0.78 0.02 0.00 0.00 177.57 178.17 1r3b h ASN 59 N -0.10 0.00 0.49 0.57 2.35 -0.61 -3.11 115.58 115.16 1r3b h ASN 59 Ca 0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1r3b h ASN 59 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1r3b h ASN 59 CO 0.01 0.44 -0.23 0.74 -1.65 0.00 0.00 177.43 176.73 1r3b h THR 60 N 0.00 0.52 -0.47 2.81 2.02 -1.02 1.12 112.91 117.89 1r3b h THR 60 Ca -0.00 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1r3b h THR 60 Cb 1.10 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1r3b h THR 60 CO 0.06 0.01 0.16 0.58 0.37 0.00 0.00 175.52 176.70 1r3b h VAL 61 N -0.69 1.19 0.05 3.16 2.07 -1.64 0.12 116.25 120.50 1r3b h VAL 61 Ca -0.07 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1r3b h VAL 61 Cb 0.52 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1r3b h VAL 61 CO 0.11 0.24 -0.02 0.44 0.02 0.00 0.00 177.57 178.35 1r3b h ASP 62 N 0.67 -0.05 0.52 0.57 3.32 -1.42 -2.61 116.42 117.43 1r3b h ASP 62 Ca 0.16 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1r3b h ASP 62 Cb 0.18 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1r3b h ASP 62 CO -0.01 0.45 -0.27 -0.26 -1.72 0.00 0.00 179.24 177.42 1r3b h PHE 63 N -0.57 -0.71 -0.92 4.55 -1.00 0.15 -1.48 116.94 116.96 1r3b h PHE 63 Ca -0.01 -0.01 0.26 0.00 2.81 0.00 0.00 57.97 61.02 1r3b h PHE 63 Cb 0.51 0.24 -0.04 0.00 3.61 0.00 0.00 35.95 40.27 1r3b h PHE 63 CO 0.09 -0.43 0.66 0.35 -1.61 0.00 0.00 178.31 177.37 1r3b h PHE 64 N -0.73 0.09 -0.01 -0.55 3.04 -0.85 0.20 116.94 118.13 1r3b h PHE 64 Ca -0.07 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.65 1r3b h PHE 64 Cb 0.58 -0.03 0.01 0.00 2.56 0.00 0.00 35.95 39.07 1r3b h PHE 64 CO -0.06 0.02 -0.96 -0.97 -2.02 0.00 0.00 178.31 174.32 1r3b h ASN 65 N 0.06 0.66 1.01 0.41 -1.24 -0.96 -2.93 115.58 112.59 1r3b h ASN 65 Ca 0.45 -0.52 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 1r3b h ASN 65 Cb 1.68 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 40.53 1r3b h ASN 65 CO -0.04 1.32 -0.10 1.56 -1.29 0.00 0.00 177.43 178.89 1r3b h GLN 66 N 0.29 0.00 0.01 6.67 1.08 0.37 -2.75 115.11 120.78 1r3b h GLN 66 Ca -0.09 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1r3b h GLN 66 Cb 1.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.03 1r3b h GLN 66 CO 0.17 0.10 -0.00 0.82 -0.95 0.00 0.00 178.83 178.96 1r3b h ILE 67 N 0.00 1.54 -0.01 2.54 2.04 -1.26 -3.07 117.51 119.29 1r3b h ILE 67 Ca -0.00 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1r3b h ILE 67 Cb 0.63 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1r3b h ILE 67 CO 0.01 0.49 0.01 -1.13 0.00 0.00 0.00 178.15 177.54 1r3b h ASN 68 N -0.92 0.00 -0.15 1.72 -1.24 -1.51 -1.86 115.58 111.61 1r3b h ASN 68 Ca -0.00 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.85 1r3b h ASN 68 Cb 0.82 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.87 1r3b h ASN 68 CO 0.00 0.00 -0.50 0.24 -1.29 0.00 0.00 177.43 175.88 1r3b h MET 69 N 0.00 0.61 -0.22 6.67 2.86 -1.56 -1.82 114.93 121.48 1r3b h MET 69 Ca 0.01 -0.45 -0.16 0.00 -2.06 0.00 0.00 59.70 57.04 1r3b h MET 69 Cb 0.03 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1r3b h MET 69 CO -0.00 1.08 -0.50 1.37 1.06 0.00 0.00 176.91 179.91 1r3b h LEU 70 N 0.27 0.67 -0.66 1.22 8.10 -1.32 -2.99 115.31 120.60 1r3b h LEU 70 Ca -0.02 -0.34 -0.11 0.00 0.11 0.00 0.00 57.88 57.52 1r3b h LEU 70 Cb 1.13 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 41.14 1r3b h LEU 70 CO 0.11 1.06 -0.52 0.22 -4.11 0.00 0.00 178.44 175.20 1r3b h TYR 71 N 0.48 0.00 0.00 0.17 3.20 -1.41 -3.07 116.97 116.34 1r3b h TYR 71 Ca 0.02 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1r3b h TYR 71 Cb 1.05 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1r3b h TYR 71 CO 0.05 0.52 -0.32 0.78 -1.64 0.00 0.00 178.16 177.55 1r3b h GLY 72 N 2.32 0.00 1.92 1.82 0.00 -1.18 1.12 103.07 109.07 1r3b h GLY 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1r3b h GLY 72 CO 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.53 1r3b h THR 73 N 0.00 0.00 0.00 4.70 1.03 -1.48 -3.33 112.91 113.83 1r3b h THR 73 Ca -0.00 -0.89 -0.03 0.00 -0.01 0.00 0.00 66.41 65.47 1r3b h THR 73 Cb 0.61 1.85 -0.01 0.00 -1.07 0.00 0.00 68.15 69.53 1r3b h THR 73 CO 0.04 0.00 -1.51 0.00 -0.01 0.00 0.00 175.52 174.05 1r3b n ILE 74 N -2.90 0.12 -0.27 0.00 0.00 -0.96 -4.57 119.36 110.78 1r3b n ILE 74 Ca 0.04 -0.27 0.20 0.00 0.00 0.00 0.00 62.75 62.72 1r3b n ILE 74 Cb 0.51 0.08 0.50 0.00 0.00 0.00 0.00 39.64 40.73 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 0.64 0.00 9.51 1.03 0.12 0.57 112.91 124.78 1r3b h THR 75 Ca -0.05 -0.15 -0.02 0.00 -0.01 0.00 0.00 66.41 66.18 1r3b h THR 75 Cb 0.67 0.17 -0.00 0.00 -1.07 0.00 0.00 68.15 67.92 1r3b h THR 75 CO 0.00 0.08 -0.12 1.05 -0.01 0.00 0.00 175.52 176.52 1r3b h GLU 76 N 0.43 0.00 0.00 0.00 4.11 -1.81 -2.42 114.58 114.90 1r3b h GLU 76 Ca 0.51 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.91 1r3b h GLU 76 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1r3b h GLU 76 CO -0.22 0.12 -0.14 0.74 0.07 0.00 0.00 179.01 179.58 1r3b h PHE 77 N 0.00 0.00 -1.66 2.06 -1.00 -0.13 -3.44 116.94 112.78 1r3b h PHE 77 Ca -0.00 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.16 1r3b h PHE 77 Cb 0.50 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 1r3b h PHE 77 CO 0.00 0.14 1.41 0.00 -1.61 0.00 0.00 178.31 178.25 1r3b n THR 79 N 7.15 0.00 -0.87 0.00 -1.04 -1.26 -5.09 114.28 113.17 1r3b n THR 79 Ca 0.33 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.45 1r3b n THR 79 Cb 0.34 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.81 1r3b n THR 79 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1r3b n GLU 80 N 0.00 -1.89 0.25 -2.82 -0.58 -1.26 -4.14 120.64 110.20 1r3b n GLU 80 Ca 0.00 1.43 0.17 0.00 -0.42 0.00 0.00 57.16 58.35 1r3b n GLU 80 Cb 0.00 -2.25 0.90 0.00 -0.57 0.00 0.00 31.44 29.52 1r3b n GLU 80 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1r3b h SER 81 N -0.83 0.00 -0.24 1.62 0.02 -2.03 -3.38 113.55 108.71 1r3b h SER 81 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1r3b h SER 81 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1r3b h SER 81 CO 0.03 0.00 0.02 0.28 -1.14 0.00 0.00 176.83 176.02 1r3b s THR 82 N -4.52 3.01 -0.07 -2.27 -1.32 -1.26 -4.72 115.64 104.49 1r3b s THR 82 Ca -0.05 -0.01 -0.31 0.00 -1.21 0.00 0.00 61.69 60.11 1r3b s THR 82 Cb 0.14 -3.44 0.12 0.00 -1.51 0.00 0.00 72.50 67.81 1r3b s THR 82 CO 0.50 -0.02 1.37 0.00 -2.21 0.00 0.00 174.62 174.26 1r3b n SER 84 N -0.82 0.00 0.00 0.00 7.64 -1.26 -4.81 113.62 114.38 1r3b n SER 84 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1r3b n SER 84 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1r3b n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1r3b n VAL 85 N 0.00 0.00 -3.80 0.44 0.31 -1.26 -3.66 118.33 110.36 1r3b n VAL 85 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1r3b n VAL 85 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 1r3b n VAL 85 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1r3b s MET 86 N 0.00 2.37 -0.20 5.55 -1.94 -1.18 -5.02 119.30 118.87 1r3b s MET 86 Ca 0.00 -2.58 -0.04 0.00 -1.71 0.00 0.00 55.69 51.36 1r3b s MET 86 Cb 0.00 -3.59 0.10 0.00 2.01 0.00 0.00 34.83 33.35 1r3b s MET 86 CO 0.00 -1.15 0.31 -1.12 -0.01 0.00 0.00 175.02 173.05 1r3b s SER 87 N 0.31 0.54 -0.10 3.03 0.01 -1.26 0.16 113.70 116.39 1r3b s SER 87 Ca 0.17 0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.71 1r3b s SER 87 Cb -0.22 0.83 0.02 0.00 0.21 0.00 0.00 66.02 66.86 1r3b s SER 87 CO -0.02 -0.29 -0.13 0.00 0.41 0.00 0.00 173.24 173.21 1r3b s ALA 88 N 2.46 1.53 0.00 1.44 0.00 -1.26 -4.98 121.76 120.95 1r3b s ALA 88 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1r3b s ALA 88 Cb -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1r3b s ALA 88 CO -0.13 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1r3b n GLY 89 N 4.31 0.62 0.11 0.00 0.00 -1.26 -4.39 105.19 104.58 1r3b n GLY 89 Ca -0.18 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 43.72 1r3b n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b h PRO 90 N 0.00 -0.20 -4.06 1.61 0.13 -2.07 -3.31 132.00 124.11 1r3b h PRO 90 Ca 0.00 0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 64.37 1r3b h PRO 90 Cb 0.00 0.05 -0.24 0.00 0.13 0.00 0.00 31.00 30.93 1r3b h PRO 90 CO 0.00 -0.13 0.46 1.03 -0.23 0.00 0.00 178.00 179.13 1r3b s ARG 91 N -3.62 3.83 -0.42 0.86 0.52 -1.26 -4.99 118.95 113.87 1r3b s ARG 91 Ca -0.04 -2.58 -0.08 0.00 -0.52 0.00 0.00 55.73 52.51 1r3b s ARG 91 Cb 0.01 -4.62 0.09 0.00 0.52 0.00 0.00 34.95 30.95 1r3b s ARG 91 CO 0.13 -1.41 0.26 1.52 0.02 0.00 0.00 175.30 175.82 1r3b s TYR 92 N 0.33 3.37 0.27 -0.53 -0.85 -1.25 -4.96 117.35 113.74 1r3b s TYR 92 Ca 0.27 -1.68 -0.21 0.00 -0.52 0.00 0.00 57.07 54.92 1r3b s TYR 92 Cb -0.08 -3.03 0.03 0.00 0.38 0.00 0.00 41.96 39.26 1r3b s TYR 92 CO -0.08 -0.88 0.77 -1.21 -1.52 0.00 0.00 175.55 172.64 1r3b s GLU 93 N 1.38 1.74 0.61 -3.49 2.02 -1.25 -4.45 118.70 115.26 1r3b s GLU 93 Ca 0.04 -0.99 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 1r3b s GLU 93 Cb -0.23 0.57 0.05 0.00 0.10 0.00 0.00 34.13 34.62 1r3b s GLU 93 CO 0.01 -0.80 0.87 -0.47 0.02 0.00 0.00 175.26 174.88 1r3b s TYR 94 N -3.57 2.82 -0.31 1.61 5.04 0.91 -4.28 117.35 119.56 1r3b s TYR 94 Ca 0.12 0.13 -0.02 0.00 -2.44 0.00 0.00 57.07 54.85 1r3b s TYR 94 Cb -0.05 -2.92 0.11 0.00 0.35 0.00 0.00 41.96 39.46 1r3b s TYR 94 CO 0.07 -1.09 0.17 -1.01 -1.34 0.00 0.00 175.55 172.34 1r3b s HIS 95 N -2.94 0.38 0.56 4.97 3.76 -1.26 -5.00 115.29 115.75 1r3b s HIS 95 Ca 0.59 -1.06 0.05 0.00 -0.15 0.00 0.00 55.06 54.49 1r3b s HIS 95 Cb -0.10 -0.87 0.05 0.00 1.11 0.00 0.00 32.58 32.77 1r3b s HIS 95 CO 0.41 -0.84 0.38 -0.46 -0.85 0.00 0.00 174.74 173.38 1r3b s TRP 96 N 1.80 1.49 0.00 1.40 -0.00 -1.26 -4.83 118.94 117.54 1r3b s TRP 96 Ca 0.12 -0.90 0.00 0.00 -0.00 0.00 0.00 56.10 55.31 1r3b s TRP 96 Cb -0.18 -1.85 0.00 0.00 -0.00 0.00 0.00 33.47 31.44 1r3b s TRP 96 CO -0.25 -0.47 0.00 0.00 -0.00 0.00 0.00 176.95 176.23 1r3b n ALA 97 N -1.77 0.00 -1.76 5.86 0.00 -1.26 -4.76 120.51 116.82 1r3b n ALA 97 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 1r3b n ALA 97 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 1r3b n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r3b s ASP 98 N -2.56 7.48 0.00 0.00 1.11 -1.26 -4.97 116.67 116.48 1r3b s ASP 98 Ca 0.00 1.91 0.00 0.00 0.18 0.00 0.00 52.55 54.64 1r3b s ASP 98 Cb 0.00 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1r3b s ASP 98 CO 0.00 0.04 0.00 0.61 1.18 0.00 0.00 175.17 177.00 1r3b n GLY 99 N 1.03 -0.15 1.37 0.21 0.00 -1.26 -5.00 105.19 101.39 1r3b n GLY 99 Ca -0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.85 0.04 -3.50 2.61 -2.24 -1.26 -5.04 114.28 104.05 1r3b n THR 100 Ca 0.00 0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 1r3b n THR 100 Cb 0.00 -1.14 -0.13 0.00 -2.10 0.00 0.00 70.33 66.96 1r3b n THR 100 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1r3b s ASN 101 N -5.04 2.30 -0.69 3.42 -0.87 -1.26 -5.09 114.94 107.72 1r3b s ASN 101 Ca 0.00 -0.78 -0.09 0.00 -1.57 0.00 0.00 52.86 50.42 1r3b s ASN 101 Cb 0.00 0.09 0.18 0.00 -0.02 0.00 0.00 41.25 41.50 1r3b s ASN 101 CO 0.00 -0.38 0.57 -0.63 -2.57 0.00 0.00 177.10 174.08 1r3b s ILE 102 N 2.24 4.65 -0.08 0.60 1.01 -1.26 -4.79 121.20 123.56 1r3b s ILE 102 Ca 0.08 -2.54 0.03 0.00 0.00 0.00 0.00 60.65 58.21 1r3b s ILE 102 Cb -0.15 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 1r3b s ILE 102 CO -0.26 -0.93 -0.04 0.29 0.00 0.00 0.00 174.94 174.00 1r3b n LYS 103 N 3.95 1.20 -2.47 2.79 5.02 -1.26 -4.98 118.16 122.40 1r3b n LYS 103 Ca 0.07 0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 1r3b n LYS 103 Cb 0.42 -1.17 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.17 4.30 0.55 1.97 -2.85 -1.26 -4.99 119.74 115.28 1r3b s LYS 104 Ca -0.09 1.63 -0.20 0.00 -1.00 0.00 0.00 55.97 56.31 1r3b s LYS 104 Cb 0.03 -3.65 -0.07 0.00 -2.06 0.00 0.00 37.83 32.08 1r3b s LYS 104 CO 0.23 -0.56 0.96 -2.30 0.10 0.00 0.00 175.35 173.77 1r3b n PRO 105 N 5.85 1.03 -3.91 1.78 -0.02 -1.26 -5.03 135.00 133.44 1r3b n PRO 105 Ca 0.12 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 1r3b n PRO 105 Cb 0.46 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 1r3b n PRO 105 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1r3b s ILE 106 N -1.46 0.10 0.74 4.25 1.10 -1.26 -5.16 121.20 119.51 1r3b s ILE 106 Ca 0.71 -0.82 -0.13 0.00 -0.51 0.00 0.00 60.65 59.90 1r3b s ILE 106 Cb -0.46 -0.47 0.04 0.00 0.15 0.00 0.00 42.46 41.73 1r3b s ILE 106 CO 0.51 -0.45 1.14 -1.59 -2.11 0.00 0.00 174.94 172.43 1r3b s LYS 107 N -1.61 2.25 -0.16 3.50 -2.85 -1.26 -4.80 119.74 114.81 1r3b s LYS 107 Ca -0.13 1.46 -0.07 0.00 -1.00 0.00 0.00 55.97 56.23 1r3b s LYS 107 Cb -0.07 -1.88 0.07 0.00 -2.06 0.00 0.00 37.83 33.89 1r3b s LYS 107 CO -0.00 -1.69 0.34 0.00 0.10 0.00 0.00 175.35 174.11 1r3b n SER 109 N 4.88 -0.05 -0.00 0.00 7.64 -1.22 -3.13 113.62 121.74 1r3b n SER 109 Ca -0.15 -0.73 -0.00 0.00 1.01 0.00 0.00 58.87 59.00 1r3b n SER 109 Cb 0.52 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.00 0.00 -0.03 -0.43 0.00 -1.89 -2.96 119.26 111.95 1r3b h ALA 110 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1r3b h ALA 110 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r3b h ALA 110 CO 0.00 0.03 0.05 -1.00 0.00 0.00 0.00 179.25 178.33 1r3b h PRO 111 N -0.06 0.00 0.00 0.00 0.13 -1.97 -1.27 132.00 128.83 1r3b h PRO 111 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1r3b h PRO 111 Cb 0.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1r3b h PRO 111 CO 0.00 0.00 -0.30 0.87 -0.23 0.00 0.00 178.00 178.34 1r3b h LYS 112 N 0.00 0.00 -0.00 0.86 6.56 -1.98 -3.12 116.57 118.89 1r3b h LYS 112 Ca 0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1r3b h LYS 112 Cb 0.11 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1r3b h LYS 112 CO -0.00 0.99 -0.09 -0.92 -2.06 0.00 0.00 179.45 177.37 1r3b h TYR 113 N -1.00 0.00 -0.21 -1.35 3.20 -1.30 -0.88 116.97 115.44 1r3b h TYR 113 Ca -0.08 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 1r3b h TYR 113 Cb 1.06 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1r3b h TYR 113 CO 0.23 0.09 -0.38 0.97 -1.64 0.00 0.00 178.16 177.43 1r3b h ILE 114 N 0.00 1.30 0.37 1.81 6.09 -1.36 -0.86 117.51 124.87 1r3b h ILE 114 Ca -0.00 -1.52 -0.02 0.00 -1.37 0.00 0.00 64.86 61.95 1r3b h ILE 114 Cb 0.16 1.56 0.00 0.00 0.47 0.00 0.00 36.82 39.01 1r3b h ILE 114 CO 0.01 0.47 -0.18 -0.78 -3.07 0.00 0.00 178.15 174.60 1r3b h ASP 115 N 0.39 -0.42 -0.50 2.19 1.82 -1.10 -1.77 116.42 117.03 1r3b h ASP 115 Ca 0.04 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1r3b h ASP 115 Cb 0.85 0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.94 1r3b h ASP 115 CO 0.07 -0.22 0.32 1.88 -1.61 0.00 0.00 179.24 179.68 1r3b h TYR 116 N -0.60 0.65 -0.43 0.28 0.05 -1.42 0.35 116.97 115.86 1r3b h TYR 116 Ca -0.05 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.79 1r3b h TYR 116 Cb 0.44 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.92 1r3b h TYR 116 CO -0.03 0.42 0.16 -0.07 -1.05 0.00 0.00 178.16 177.60 1r3b h LEU 117 N 0.69 0.18 0.18 3.88 3.38 -0.74 0.50 115.31 123.38 1r3b h LEU 117 Ca 0.18 0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.89 1r3b h LEU 117 Cb -0.05 0.02 0.03 0.00 0.09 0.00 0.00 40.66 40.75 1r3b h LEU 117 CO -0.04 0.14 -1.34 0.24 0.09 0.00 0.00 178.44 177.53 1r3b h MET 118 N 0.33 0.58 0.41 1.13 2.86 -0.66 -3.14 114.93 116.45 1r3b h MET 118 Ca 0.20 -0.87 -0.01 0.00 -2.06 0.00 0.00 59.70 56.95 1r3b h MET 118 Cb 0.17 0.31 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1r3b h MET 118 CO -0.19 1.41 -0.31 1.15 1.06 0.00 0.00 176.91 180.03 1r3b h THR 119 N 0.19 0.35 -0.91 2.22 2.02 -0.04 0.68 112.91 117.43 1r3b h THR 119 Ca -0.22 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.13 1r3b h THR 119 Cb 2.03 0.35 -0.10 0.00 -1.74 0.00 0.00 68.15 68.69 1r3b h THR 119 CO 0.25 0.00 0.49 -0.25 0.37 0.00 0.00 175.52 176.38 1r3b h TRP 120 N -0.72 0.85 -0.10 3.16 7.01 -0.13 0.15 115.95 126.17 1r3b h TRP 120 Ca -0.04 0.04 -0.20 0.00 2.11 0.00 0.00 58.89 60.80 1r3b h TRP 120 Cb 0.61 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1r3b h TRP 120 CO -0.14 0.16 -0.75 0.28 -2.79 0.00 0.00 178.44 175.20 1r3b h VAL 121 N 0.64 1.34 0.00 2.65 2.07 -1.39 -3.06 116.25 118.49 1r3b h VAL 121 Ca 0.52 -2.08 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 1r3b h VAL 121 Cb 0.80 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1r3b h VAL 121 CO -0.40 0.64 -0.08 -0.61 0.02 0.00 0.00 177.57 177.14 1r3b h GLN 122 N 0.37 0.00 -0.98 1.57 4.15 0.29 -2.05 115.11 118.47 1r3b h GLN 122 Ca -0.04 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.49 1r3b h GLN 122 Cb 1.35 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.96 1r3b h GLN 122 CO 0.14 0.08 0.62 0.22 -1.93 0.00 0.00 178.83 177.96 1r3b h ASP 123 N 0.00 0.89 0.01 -0.69 1.82 -0.84 0.28 116.42 117.89 1r3b h ASP 123 Ca -0.00 0.04 -0.20 0.00 -0.39 0.00 0.00 57.03 56.48 1r3b h ASP 123 Cb 0.15 -0.14 0.02 0.00 0.68 0.00 0.00 39.33 40.03 1r3b h ASP 123 CO 0.01 0.49 -0.78 1.56 -1.61 0.00 0.00 179.24 178.92 1r3b h GLN 124 N 0.97 0.51 0.00 0.28 4.20 -1.52 0.14 115.11 119.69 1r3b h GLN 124 Ca 0.47 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1r3b h GLN 124 Cb 0.47 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1r3b h GLN 124 CO -0.24 1.19 0.00 -0.07 -0.67 0.00 0.00 178.83 179.05 1r3b h LEU 125 N 0.07 0.00 -1.62 1.46 3.38 -1.06 0.27 115.31 117.80 1r3b h LEU 125 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1r3b h LEU 125 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1r3b h LEU 125 CO 0.15 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.01 1r3b n ASP 126 N -2.77 2.06 -3.97 -0.43 2.03 0.91 -4.82 116.55 109.56 1r3b n ASP 126 Ca -0.02 -1.53 -0.31 0.00 0.52 0.00 0.00 54.79 53.45 1r3b n ASP 126 Cb 0.10 -0.03 -0.13 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.94 4.44 0.62 1.67 1.11 0.47 -4.93 116.67 119.12 1r3b s ASP 127 Ca 0.14 -2.99 0.35 0.00 0.18 0.00 0.00 52.55 50.24 1r3b s ASP 127 Cb 0.10 -1.67 1.98 0.00 1.07 0.00 0.00 42.92 44.40 1r3b s ASP 127 CO 0.14 -0.25 2.23 -0.08 1.18 0.00 0.00 175.17 178.39 1r3b h GLU 128 N 6.58 0.00 -1.17 8.23 4.81 -1.88 -2.46 114.58 128.69 1r3b h GLU 128 Ca -0.07 0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.50 1r3b h GLU 128 Cb 0.90 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 1r3b h GLU 128 CO 0.69 0.00 0.83 0.00 -0.73 0.00 0.00 179.01 179.80 1r3b h THR 129 N 0.00 0.41 -0.54 0.32 1.03 -1.91 0.83 112.91 113.05 1r3b h THR 129 Ca 0.02 -0.02 -0.27 0.00 -0.01 0.00 0.00 66.41 66.13 1r3b h THR 129 Cb 0.18 0.35 -0.16 0.00 -1.07 0.00 0.00 68.15 67.46 1r3b h THR 129 CO -0.00 0.01 0.14 0.00 -0.01 0.00 0.00 175.52 175.66 1r3b n LEU 130 N -4.25 4.91 -4.26 0.00 -0.00 -0.92 -4.70 117.00 107.77 1r3b n LEU 130 Ca 0.26 -3.69 -0.14 0.00 -0.00 0.00 0.00 56.01 52.44 1r3b n LEU 130 Cb 1.20 -0.69 -0.10 0.00 -0.00 0.00 0.00 43.42 43.83 1r3b n LEU 130 CO 0.38 1.17 -0.26 -0.36 -0.00 0.00 0.00 177.39 178.32 1r3b s PHE 131 N -3.24 1.35 0.00 1.47 0.08 0.29 -4.83 117.98 113.10 1r3b s PHE 131 Ca 0.48 -1.23 0.00 0.00 0.12 0.00 0.00 56.93 56.31 1r3b s PHE 131 Cb 0.43 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 1r3b s PHE 131 CO 0.04 -0.42 0.00 -0.35 -0.10 0.00 0.00 175.22 174.38 1r3b n PRO 132 N -0.36 0.42 -2.09 0.24 -0.04 -1.26 -4.51 135.00 127.40 1r3b n PRO 132 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1r3b n PRO 132 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 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 -0.94 -1.84 -2.83 3.54 2.88 -1.26 -4.56 113.62 108.61 1r3b n SER 133 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1r3b n SER 133 Cb 0.00 -0.46 0.01 0.00 -0.75 0.00 0.00 64.21 63.01 1r3b n SER 133 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1r3b n LYS 134 N -0.67 -2.56 -4.24 -1.46 5.02 -1.26 -5.06 118.16 107.93 1r3b n LYS 134 Ca 0.00 2.23 -0.19 0.00 -2.02 0.00 0.00 58.31 58.33 1r3b n LYS 134 Cb 0.46 -5.63 -0.11 0.00 -0.02 0.00 0.00 35.03 29.73 1r3b n LYS 134 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1r3b s ILE 135 N -2.46 1.39 -1.22 -0.18 -0.00 -1.26 -5.06 121.20 112.41 1r3b s ILE 135 Ca 0.21 -1.63 -0.05 0.00 -0.00 0.00 0.00 60.65 59.19 1r3b s ILE 135 Cb -0.06 -1.47 0.20 0.00 -0.00 0.00 0.00 42.46 41.13 1r3b s ILE 135 CO 0.77 -0.32 2.10 0.61 -0.00 0.00 0.00 174.94 178.10 1r3b n GLY 136 N 0.74 5.43 3.04 6.27 0.00 -1.26 -4.93 105.19 114.48 1r3b n GLY 136 Ca -0.17 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.49 1r3b n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r3b s VAL 137 N -2.01 0.09 -0.60 1.61 -7.23 -1.26 -5.11 120.40 105.90 1r3b s VAL 137 Ca 0.46 -0.78 -0.27 0.00 -1.81 0.00 0.00 61.98 59.59 1r3b s VAL 137 Cb 0.17 -0.34 -0.00 0.00 0.56 0.00 0.00 36.38 36.76 1r3b s VAL 137 CO -0.08 -0.43 1.61 -2.16 -0.31 0.00 0.00 175.10 173.73 1r3b s PRO 138 N -1.38 3.00 0.04 4.82 0.04 -1.26 -4.90 135.00 135.35 1r3b s PRO 138 Ca -0.15 0.46 -0.32 0.00 0.04 0.00 0.00 61.00 61.03 1r3b s PRO 138 Cb -0.09 -4.25 -0.18 0.00 0.04 0.00 0.00 34.50 30.02 1r3b s PRO 138 CO 0.00 -2.31 1.37 0.35 0.04 0.00 0.00 177.00 176.45 1r3b h PHE 139 N 12.64 -1.00 0.00 0.56 3.57 -1.96 0.85 116.94 131.60 1r3b h PHE 139 Ca -0.27 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1r3b h PHE 139 Cb 1.12 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1r3b h PHE 139 CO 1.05 -0.61 0.06 -1.00 -2.23 0.00 0.00 178.31 175.58 1r3b h PRO 140 N -1.22 0.00 0.00 6.41 0.13 -1.96 -0.97 132.00 134.38 1r3b h PRO 140 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1r3b h PRO 140 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1r3b h PRO 140 CO 0.18 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 179.12 1r3b n LYS 141 N -2.53 0.00 0.04 0.86 4.81 -1.09 -4.31 118.16 115.95 1r3b n LYS 141 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.40 1r3b n LYS 141 Cb 0.11 -0.31 -0.01 0.00 0.02 0.00 0.00 35.03 34.83 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1r3b h ASN 142 N 0.00 -0.12 -0.98 3.14 4.21 0.64 0.30 115.58 122.77 1r3b h ASN 142 Ca 0.00 0.01 0.21 0.00 1.21 0.00 0.00 56.30 57.73 1r3b h ASN 142 Cb 0.00 0.03 -0.11 0.00 -1.12 0.00 0.00 38.32 37.12 1r3b h ASN 142 CO 0.00 -0.07 0.56 0.15 -1.29 0.00 0.00 177.43 176.78 1r3b h PHE 143 N -0.12 0.97 0.42 1.19 3.57 -1.35 0.95 116.94 122.57 1r3b h PHE 143 Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1r3b h PHE 143 Cb 0.09 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1r3b h PHE 143 CO 0.10 0.13 -0.20 1.98 -2.23 0.00 0.00 178.31 178.09 1r3b h MET 144 N 0.64 -0.54 -0.58 1.11 4.05 -1.08 0.84 114.93 119.37 1r3b h MET 144 Ca 0.59 0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.99 1r3b h MET 144 Cb 1.02 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 1r3b h MET 144 CO -0.43 -0.28 0.14 1.03 0.23 0.00 0.00 176.91 177.59 1r3b h SER 145 N -0.72 0.88 0.14 1.39 0.87 0.56 -2.40 113.55 114.28 1r3b h SER 145 Ca -0.06 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.15 1r3b h SER 145 Cb 0.51 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1r3b h SER 145 CO 0.09 0.89 -0.43 0.58 -0.53 0.00 0.00 176.83 177.43 1r3b h VAL 146 N 0.84 1.32 -0.15 2.23 2.07 0.93 -2.95 116.25 120.53 1r3b h VAL 146 Ca 0.18 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1r3b h VAL 146 Cb 0.35 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1r3b h VAL 146 CO 0.00 0.49 -0.26 0.00 0.02 0.00 0.00 177.57 177.82 1r3b h ALA 147 N 1.24 1.28 -0.33 1.67 0.00 0.98 -2.42 119.26 121.68 1r3b h ALA 147 Ca 0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1r3b h ALA 147 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1r3b h ALA 147 CO 0.07 0.49 -0.30 -0.22 0.00 0.00 0.00 179.25 179.29 1r3b h LYS 148 N 0.25 0.78 0.00 0.00 3.64 -1.27 -2.22 116.57 117.75 1r3b h LYS 148 Ca 0.04 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1r3b h LYS 148 Cb 0.60 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1r3b h LYS 148 CO 0.04 1.03 -0.30 0.00 -2.27 0.00 0.00 179.45 177.95 1r3b h THR 149 N 0.55 0.86 0.01 1.00 1.03 -1.44 -2.88 112.91 112.05 1r3b h THR 149 Ca 0.05 -1.21 -0.08 0.00 -0.01 0.00 0.00 66.41 65.17 1r3b h THR 149 Cb 0.88 1.73 0.01 0.00 -1.07 0.00 0.00 68.15 69.69 1r3b h THR 149 CO 0.08 0.30 -0.33 -0.29 -0.01 0.00 0.00 175.52 175.27 1r3b h ILE 150 N 0.00 1.54 -0.25 0.00 2.10 -1.30 -2.85 117.51 116.75 1r3b h ILE 150 Ca -0.00 -2.02 -0.00 0.00 1.08 0.00 0.00 64.86 63.92 1r3b h ILE 150 Cb 0.70 2.79 -0.01 0.00 -1.09 0.00 0.00 36.82 39.21 1r3b h ILE 150 CO 0.04 0.56 0.15 0.17 -1.08 0.00 0.00 178.15 177.99 1r3b h LEU 151 N -0.45 0.29 -0.60 2.19 8.10 -1.38 -0.21 115.31 123.25 1r3b h LEU 151 Ca -0.04 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.79 1r3b h LEU 151 Cb 1.09 -0.07 -0.02 0.00 -0.44 0.00 0.00 40.66 41.22 1r3b h LEU 151 CO 0.06 0.22 -0.70 0.11 -4.11 0.00 0.00 178.44 174.03 1r3b h LYS 152 N 0.33 0.01 0.08 0.17 1.57 -1.56 -2.77 116.57 114.40 1r3b h LYS 152 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1r3b h LYS 152 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1r3b h LYS 152 CO -0.02 0.70 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.44 1r3b h ARG 153 N 0.01 -0.10 -0.21 3.15 1.12 -0.93 -2.94 114.38 114.47 1r3b h ARG 153 Ca -0.01 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.91 1r3b h ARG 153 Cb 1.24 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.19 1r3b h ARG 153 CO 0.09 0.44 -0.01 1.37 -3.11 0.00 0.00 179.97 178.75 1r3b h LEU 154 N -0.86 -0.10 -1.91 3.80 8.10 -1.18 -1.37 115.31 121.79 1r3b h LEU 154 Ca -0.01 0.05 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 1r3b h LEU 154 Cb 0.59 0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.90 1r3b h LEU 154 CO 0.02 -0.02 0.05 0.15 -4.11 0.00 0.00 178.44 174.52 1r3b h PHE 155 N 0.05 0.10 -0.03 0.17 3.04 -1.63 -1.66 116.94 116.99 1r3b h PHE 155 Ca 0.10 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 1r3b h PHE 155 Cb 0.13 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1r3b h PHE 155 CO -0.19 0.07 -0.50 0.00 -2.02 0.00 0.00 178.31 175.67 1r3b h ARG 156 N 0.11 0.07 -0.92 1.11 2.47 -1.07 -3.12 114.38 113.03 1r3b h ARG 156 Ca 0.03 -0.04 0.18 0.00 -1.26 0.00 0.00 59.98 58.89 1r3b h ARG 156 Cb -0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 1r3b h ARG 156 CO -0.01 0.56 0.59 0.28 0.56 0.00 0.00 179.97 181.96 1r3b h VAL 157 N 0.06 0.74 -0.05 2.04 2.07 -0.75 -0.91 116.25 119.45 1r3b h VAL 157 Ca -0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1r3b h VAL 157 Cb 0.91 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1r3b h VAL 157 CO 0.07 0.11 -0.01 1.88 0.02 0.00 0.00 177.57 179.64 1r3b h TYR 158 N 0.60 0.10 -0.56 1.57 -1.99 -1.66 -2.00 116.97 113.03 1r3b h TYR 158 Ca 0.49 -0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.25 1r3b h TYR 158 Cb 0.94 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.61 1r3b h TYR 158 CO -0.00 0.42 0.37 0.00 -0.00 0.00 0.00 178.16 178.95 1r3b h ALA 159 N 0.66 1.82 -0.26 3.88 0.00 -1.39 0.61 119.26 124.59 1r3b h ALA 159 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1r3b h ALA 159 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1r3b h ALA 159 CO 0.00 0.09 -0.45 1.25 0.00 0.00 0.00 179.25 180.15 1r3b h HIS 160 N 0.55 0.95 -0.03 0.00 6.17 -1.06 -1.99 115.15 119.74 1r3b h HIS 160 Ca 0.24 -0.33 -0.18 0.00 0.71 0.00 0.00 60.37 60.81 1r3b h HIS 160 Cb 0.24 -0.18 0.01 0.00 2.52 0.00 0.00 27.41 30.01 1r3b h HIS 160 CO -0.00 1.13 -0.68 0.97 0.71 0.00 0.00 177.93 180.06 1r3b h ILE 161 N 0.50 1.38 0.16 6.26 -0.00 -0.71 -0.82 117.51 124.27 1r3b h ILE 161 Ca 0.02 -2.05 0.01 0.00 -0.00 0.00 0.00 64.86 62.84 1r3b h ILE 161 Cb 1.05 2.43 -0.02 0.00 -0.00 0.00 0.00 36.82 40.28 1r3b h ILE 161 CO 0.10 0.61 -0.22 1.88 -0.00 0.00 0.00 178.15 180.52 1r3b h TYR 162 N 0.08 -0.59 -0.03 2.19 0.05 0.15 1.01 116.97 119.83 1r3b h TYR 162 Ca -0.08 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.57 1r3b h TYR 162 Cb 1.36 0.24 -0.02 0.00 1.01 0.00 0.00 36.73 39.32 1r3b h TYR 162 CO 0.13 -0.32 -0.66 1.12 -1.05 0.00 0.00 178.16 177.37 1r3b h HIS 163 N -0.44 0.15 0.07 4.88 2.07 -1.45 -0.75 115.15 119.68 1r3b h HIS 163 Ca 0.02 -0.06 -0.27 0.00 -2.85 0.00 0.00 60.37 57.21 1r3b h HIS 163 Cb 0.44 -0.02 -0.02 0.00 2.57 0.00 0.00 27.41 30.38 1r3b h HIS 163 CO -0.19 0.74 -1.31 0.37 -3.07 0.00 0.00 177.93 174.47 1r3b h GLN 164 N 0.08 0.15 -0.61 5.12 5.75 -0.89 -3.42 115.11 121.29 1r3b h GLN 164 Ca -0.01 -0.25 -0.32 0.00 -0.15 0.00 0.00 58.65 57.92 1r3b h GLN 164 Cb 1.18 0.09 -0.22 0.00 1.07 0.00 0.00 27.48 29.60 1r3b h GLN 164 CO 0.09 1.03 -0.68 -2.39 -2.65 0.00 0.00 178.83 174.24 1r3b n HIS 165 N -3.39 -2.22 -0.08 3.99 1.44 0.35 -4.88 115.22 110.42 1r3b n HIS 165 Ca -0.09 -2.46 -0.12 0.00 -2.01 0.00 0.00 57.72 53.04 1r3b n HIS 165 Cb 1.01 0.99 -0.05 0.00 0.12 0.00 0.00 29.99 32.06 1r3b n HIS 165 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1r3b h PHE 166 N 3.56 0.52 -0.59 -1.40 3.04 -1.13 -2.87 116.94 118.08 1r3b h PHE 166 Ca -0.06 -0.12 0.13 0.00 3.98 0.00 0.00 57.97 61.90 1r3b h PHE 166 Cb 1.02 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 1r3b h PHE 166 CO 0.23 0.70 0.40 0.22 -2.02 0.00 0.00 178.31 177.85 1r3b h ASP 167 N 0.18 0.21 -0.56 0.41 3.58 -1.92 0.40 116.42 118.73 1r3b h ASP 167 Ca 0.06 0.01 0.13 0.00 0.42 0.00 0.00 57.03 57.64 1r3b h ASP 167 Cb 0.54 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1r3b h ASP 167 CO 0.03 0.12 0.39 0.00 -2.88 0.00 0.00 179.24 176.89 1r3b h ALA 168 N 1.71 2.25 -0.13 -0.78 0.00 -1.89 0.29 119.26 120.71 1r3b h ALA 168 Ca 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1r3b h ALA 168 Cb 0.79 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1r3b h ALA 168 CO -0.05 -0.39 -0.06 0.28 0.00 0.00 0.00 179.25 179.03 1r3b h VAL 169 N 0.20 1.31 -0.18 0.00 2.07 -1.01 -2.77 116.25 115.88 1r3b h VAL 169 Ca 0.26 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 1r3b h VAL 169 Cb 0.77 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1r3b h VAL 169 CO -0.05 0.31 -0.29 0.24 0.02 0.00 0.00 177.57 177.80 1r3b h MET 170 N -0.08 0.35 -0.33 1.57 2.07 -1.25 -2.52 114.93 114.75 1r3b h MET 170 Ca 0.03 -0.13 0.01 0.00 -2.07 0.00 0.00 59.70 57.54 1r3b h MET 170 Cb 0.51 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.20 1r3b h MET 170 CO 0.02 0.61 0.22 0.37 1.07 0.00 0.00 176.91 179.20 1r3b h GLN 171 N 0.31 0.39 -1.22 1.72 5.75 -0.38 -1.50 115.11 120.17 1r3b h GLN 171 Ca 0.04 -0.02 -0.48 0.00 -0.15 0.00 0.00 58.65 58.05 1r3b h GLN 171 Cb 0.68 -0.09 -0.21 0.00 1.07 0.00 0.00 27.48 28.92 1r3b h GLN 171 CO 0.05 0.26 0.61 1.28 -2.65 0.00 0.00 178.83 178.38 1r3b n LEU 172 N -4.49 6.84 -3.62 -2.39 4.77 -0.96 -4.91 117.00 112.23 1r3b n LEU 172 Ca 0.02 -3.65 -0.25 0.00 -0.03 0.00 0.00 56.01 52.11 1r3b n LEU 172 Cb 0.10 -0.97 0.01 0.00 -2.33 0.00 0.00 43.42 40.23 1r3b n LEU 172 CO 0.35 1.26 -0.24 0.00 -1.33 0.00 0.00 177.39 177.43 1r3b n GLN 173 N -0.35 -1.46 -2.13 3.23 0.00 -0.57 -4.29 117.38 111.82 1r3b n GLN 173 Ca 0.46 0.77 0.00 0.00 0.00 0.00 0.00 57.00 58.22 1r3b n GLN 173 Cb 0.75 -1.97 0.00 0.00 0.00 0.00 0.00 30.24 29.02 1r3b n GLN 173 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1r3b n GLU 174 N -2.08 -5.25 -2.41 2.61 4.71 -1.17 -4.75 120.64 112.29 1r3b n GLU 174 Ca -0.26 3.77 -0.38 0.00 -0.01 0.00 0.00 57.16 60.28 1r3b n GLU 174 Cb 0.63 -4.31 -0.03 0.00 -1.01 0.00 0.00 31.44 26.72 1r3b n GLU 174 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1r3b s GLU 175 N -0.70 3.22 0.37 3.49 0.41 -1.23 -4.83 118.70 119.42 1r3b s GLU 175 Ca 0.00 -0.62 0.11 0.00 -0.41 0.00 0.00 54.97 54.05 1r3b s GLU 175 Cb 0.00 -4.97 0.89 0.00 -1.78 0.00 0.00 34.13 28.28 1r3b s GLU 175 CO 0.00 -2.47 1.86 0.00 -0.49 0.00 0.00 175.26 174.16 1r3b h ALA 176 N 10.57 1.93 -0.31 5.21 0.00 -1.88 0.16 119.26 134.95 1r3b h ALA 176 Ca 0.04 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1r3b h ALA 176 Cb 1.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1r3b h ALA 176 CO 1.34 -0.20 -0.47 0.45 0.00 0.00 0.00 179.25 180.37 1r3b h HIS 177 N 0.61 1.07 -0.18 0.00 -0.00 -1.97 0.18 115.15 114.86 1r3b h HIS 177 Ca 0.46 -0.36 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1r3b h HIS 177 Cb 0.87 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 1r3b h HIS 177 CO -0.00 1.19 0.07 1.25 -0.00 0.00 0.00 177.93 180.44 1r3b h LEU 178 N 0.66 0.25 -0.24 2.43 5.85 -1.30 0.79 115.31 123.75 1r3b h LEU 178 Ca 0.03 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1r3b h LEU 178 Cb 1.08 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1r3b h LEU 178 CO 0.11 0.34 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.34 1r3b h ASN 179 N 0.14 0.48 -0.06 1.25 -0.73 -0.79 -1.81 115.58 114.06 1r3b h ASN 179 Ca 0.06 -0.39 -0.01 0.00 1.87 0.00 0.00 56.30 57.84 1r3b h ASN 179 Cb 0.17 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 1r3b h ASN 179 CO -0.01 0.76 0.01 0.74 -0.37 0.00 0.00 177.43 178.57 1r3b h THR 180 N 0.20 1.21 -0.19 -3.57 2.02 -0.56 -2.68 112.91 109.34 1r3b h THR 180 Ca 0.06 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1r3b h THR 180 Cb 0.56 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1r3b h THR 180 CO 0.03 0.17 0.13 0.28 0.37 0.00 0.00 175.52 176.50 1r3b h SER 181 N -0.13 0.11 0.17 4.18 0.02 0.59 -2.36 113.55 116.13 1r3b h SER 181 Ca 0.02 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1r3b h SER 181 Cb 0.27 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1r3b h SER 181 CO 0.00 0.08 -0.08 0.15 -1.14 0.00 0.00 176.83 175.84 1r3b h PHE 182 N 0.13 -0.21 -0.35 3.45 3.57 -1.04 -1.09 116.94 121.40 1r3b h PHE 182 Ca 0.08 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1r3b h PHE 182 Cb 0.17 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1r3b h PHE 182 CO -0.00 0.09 0.08 -0.22 -2.23 0.00 0.00 178.31 176.03 1r3b h LYS 183 N -0.51 0.21 0.00 1.11 1.63 -1.14 0.17 116.57 118.03 1r3b h LYS 183 Ca -0.02 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1r3b h LYS 183 Cb 0.39 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1r3b h LYS 183 CO 0.04 0.14 -0.09 1.25 -3.45 0.00 0.00 179.45 177.33 1r3b h HIS 184 N 0.21 0.00 0.00 1.91 2.76 -1.43 0.75 115.15 119.35 1r3b h HIS 184 Ca 0.16 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.18 1r3b h HIS 184 Cb 0.17 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1r3b h HIS 184 CO -0.17 0.09 -0.73 0.74 -1.30 0.00 0.00 177.93 176.56 1r3b h PHE 185 N 0.00 0.00 0.02 5.26 -1.00 0.34 -2.94 116.94 118.62 1r3b h PHE 185 Ca -0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 1r3b h PHE 185 Cb 0.20 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.72 1r3b h PHE 185 CO 0.00 0.73 -1.95 -0.89 -1.61 0.00 0.00 178.31 174.59 1r3b n ILE 186 N -3.62 1.57 -0.19 -0.55 5.41 -0.44 -3.97 119.36 117.57 1r3b n ILE 186 Ca -0.01 -0.31 -0.03 0.00 1.00 0.00 0.00 62.75 63.40 1r3b n ILE 186 Cb 0.72 -1.87 0.07 0.00 -0.71 0.00 0.00 39.64 37.86 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 -0.71 0.52 -0.22 1.39 0.04 0.33 0.87 116.94 119.16 1r3b h PHE 187 Ca -0.51 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.28 1r3b h PHE 187 Cb 1.60 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.59 1r3b h PHE 187 CO 0.03 0.24 0.13 0.27 -0.60 0.00 0.00 178.31 178.37 1r3b h PHE 188 N 0.54 0.29 -0.01 -0.55 -0.00 -1.71 0.72 116.94 116.23 1r3b h PHE 188 Ca 0.26 -0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 58.08 1r3b h PHE 188 Cb 0.19 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.95 36.02 1r3b h PHE 188 CO -0.11 0.24 -0.70 -0.24 -0.00 0.00 0.00 178.31 177.51 1r3b h VAL 189 N 0.26 1.49 0.00 0.88 3.04 -1.61 -3.02 116.25 117.29 1r3b h VAL 189 Ca 0.08 -2.36 -0.22 0.00 -1.01 0.00 0.00 66.70 63.18 1r3b h VAL 189 Cb 0.04 2.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1r3b h VAL 189 CO -0.01 0.68 -0.94 1.56 -1.01 0.00 0.00 177.57 177.84 1r3b h GLN 190 N 0.03 0.39 -0.39 4.17 1.08 0.11 0.46 115.11 120.96 1r3b h GLN 190 Ca -0.01 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 56.76 1r3b h GLN 190 Cb 1.24 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.77 1r3b h GLN 190 CO 0.09 1.09 0.21 1.49 -0.95 0.00 0.00 178.83 180.77 1r3b h GLU 191 N 0.22 0.54 0.00 1.46 4.57 0.48 -2.75 114.58 119.09 1r3b h GLU 191 Ca -0.08 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1r3b h GLU 191 Cb 1.58 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 1r3b h GLU 191 CO 0.16 0.44 -0.71 1.19 -1.18 0.00 0.00 179.01 178.91 1r3b n PHE 192 N -4.75 0.35 -2.68 0.92 3.01 -1.15 -4.99 117.46 108.18 1r3b n PHE 192 Ca -0.00 0.10 -0.09 0.00 1.01 0.00 0.00 57.45 58.47 1r3b n PHE 192 Cb 0.08 -0.50 0.04 0.00 -0.01 0.00 0.00 39.48 39.09 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 -1.93 -5.26 -0.84 4.37 5.15 0.13 -4.96 115.26 111.92 1r3b n ASN 193 Ca 0.03 -0.44 0.07 0.00 -0.60 0.00 0.00 54.58 53.65 1r3b n ASN 193 Cb 0.41 -3.74 0.23 0.00 -0.53 0.00 0.00 39.78 36.15 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1r3b n LEU 194 N -2.56 3.59 -4.83 1.20 -0.00 0.71 -5.00 117.00 110.11 1r3b n LEU 194 Ca -0.04 -2.61 -0.22 0.00 -0.00 0.00 0.00 56.01 53.14 1r3b n LEU 194 Cb 0.57 -0.43 -0.04 0.00 -0.00 0.00 0.00 43.42 43.52 1r3b n LEU 194 CO 0.40 0.70 -0.13 0.27 -0.00 0.00 0.00 177.39 178.63 1r3b s ILE 195 N -2.10 3.88 0.22 1.96 -5.25 -1.26 -5.06 121.20 113.61 1r3b s ILE 195 Ca 0.35 -1.41 0.03 0.00 -0.99 0.00 0.00 60.65 58.63 1r3b s ILE 195 Cb 0.26 -3.26 -0.01 0.00 2.95 0.00 0.00 42.46 42.40 1r3b s ILE 195 CO 0.12 -0.25 0.09 0.47 -1.79 0.00 0.00 174.94 173.58 1r3b n ASP 196 N -1.28 0.92 0.13 4.36 8.00 -1.26 -5.02 116.55 122.40 1r3b n ASP 196 Ca -0.04 -2.22 -0.13 0.00 0.71 0.00 0.00 54.79 53.11 1r3b n ASP 196 Cb 0.59 0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 42.23 1r3b n ASP 196 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1r3b h ARG 197 N 0.00 -0.34 0.00 -1.24 -0.00 -2.00 -2.92 114.38 107.88 1r3b h ARG 197 Ca -0.17 0.02 -0.04 0.00 -0.50 0.00 0.00 59.98 59.29 1r3b h ARG 197 Cb 0.68 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.72 1r3b h ARG 197 CO 0.27 0.00 -0.19 -0.09 0.00 0.00 0.00 179.97 179.96 1r3b h ARG 198 N -0.74 0.00 -0.25 0.04 2.43 -2.00 -3.13 114.38 110.73 1r3b h ARG 198 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1r3b h ARG 198 Cb 0.50 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1r3b h ARG 198 CO 0.06 0.19 0.07 1.49 -1.51 0.00 0.00 179.97 180.28 1r3b h GLU 199 N 0.00 0.39 -0.77 0.20 4.81 -1.95 -2.72 114.58 114.54 1r3b h GLU 199 Ca -0.00 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1r3b h GLU 199 Cb 0.75 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1r3b h GLU 199 CO 0.03 0.47 0.02 1.28 -0.73 0.00 0.00 179.01 180.07 1r3b n LEU 200 N -4.74 3.83 0.26 1.64 4.77 -1.11 -4.43 117.00 117.23 1r3b n LEU 200 Ca -0.03 -1.95 -0.16 0.00 -0.03 0.00 0.00 56.01 53.85 1r3b n LEU 200 Cb 0.16 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.55 1r3b n LEU 200 CO 0.36 0.49 0.65 0.00 -1.33 0.00 0.00 177.39 177.56 1r3b h ALA 201 N 3.08 -0.63 0.00 -1.18 0.00 -1.43 -3.19 119.26 115.91 1r3b h ALA 201 Ca 0.02 -0.16 -0.38 0.00 0.00 0.00 0.00 54.91 54.39 1r3b h ALA 201 Cb 1.40 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1r3b h ALA 201 CO 0.31 -0.81 1.46 -0.35 0.00 0.00 0.00 179.25 179.86 1r3b n PRO 202 N -5.32 2.59 0.00 0.00 -0.04 -1.26 -3.59 135.00 127.37 1r3b n PRO 202 Ca -0.11 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1r3b n PRO 202 Cb 0.28 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.04 0.29 0.27 1.53 0.00 -1.21 -4.75 117.00 116.17 1r3b n LEU 203 Ca 0.55 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.70 1r3b n LEU 203 Cb 0.57 0.00 0.78 0.00 0.00 0.00 0.00 43.42 44.77 1r3b n LEU 203 CO 0.44 -0.07 1.01 1.56 0.00 0.00 0.00 177.39 180.34 1r3b h GLN 204 N 0.00 0.00 0.00 1.96 1.08 -1.72 -2.31 115.11 114.13 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1r3b h GLN 204 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1r3b h GLN 204 CO 0.00 0.09 -0.00 0.93 -0.95 0.00 0.00 178.83 178.90 1r3b h GLU 205 N 0.00 -0.00 -0.64 1.46 5.08 -1.88 -3.03 114.58 115.57 1r3b h GLU 205 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1r3b h GLU 205 Cb 0.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1r3b h GLU 205 CO 0.01 0.80 0.29 1.37 -1.00 0.00 0.00 179.01 180.48 1r3b h LEU 206 N -0.82 0.83 -1.25 1.33 8.10 -1.82 -1.74 115.31 119.93 1r3b h LEU 206 Ca -0.00 -0.09 -0.06 0.00 0.11 0.00 0.00 57.88 57.84 1r3b h LEU 206 Cb 0.80 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 1r3b h LEU 206 CO 0.00 0.71 -0.12 0.40 -4.11 0.00 0.00 178.44 175.32 1r3b h ILE 207 N 0.91 1.20 0.08 0.15 2.04 -1.52 -0.49 117.51 119.88 1r3b h ILE 207 Ca 0.22 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1r3b h ILE 207 Cb 0.12 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1r3b h ILE 207 CO -0.03 0.29 -0.04 -0.08 0.00 0.00 0.00 178.15 178.29 1r3b h GLU 208 N 0.34 -0.10 0.00 2.37 4.81 -1.25 -3.20 114.58 117.55 1r3b h GLU 208 Ca 0.07 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1r3b h GLU 208 Cb 0.43 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1r3b h GLU 208 CO 0.02 0.43 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.42 1r3b h LYS 209 N -0.72 0.00 0.08 1.92 3.11 -1.27 -2.84 116.57 116.85 1r3b h LYS 209 Ca -0.01 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1r3b h LYS 209 Cb 0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 1r3b h LYS 209 CO 0.02 0.10 -0.12 1.25 -2.81 0.00 0.00 179.45 177.89 1r3b h LEU 210 N 0.00 -0.33 0.00 5.20 6.46 -1.08 -3.48 115.31 122.08 1r3b h LEU 210 Ca -0.00 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1r3b h LEU 210 Cb 0.20 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1r3b h LEU 210 CO 0.01 -0.18 0.16 0.61 -0.62 0.00 0.00 178.44 178.42 1r3b n GLY 211 N -1.24 1.08 3.82 3.75 0.00 -1.07 -5.11 105.19 106.41 1r3b n GLY 211 Ca -0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1r3b n GLY 211 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 212 N -1.63 -0.05 0.16 1.61 0.15 -1.26 -4.60 113.70 108.08 1r3b s SER 212 Ca 0.06 -1.04 -0.03 0.00 0.70 0.00 0.00 55.95 55.64 1r3b s SER 212 Cb -0.01 0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 1r3b s SER 212 CO 0.01 -1.63 0.14 -0.54 1.20 0.00 0.00 173.24 172.42 1r3b s LYS 213 N -2.62 1.05 -0.23 5.44 1.02 -1.26 -5.17 119.74 117.97 1r3b s LYS 213 Ca 0.15 -1.41 -0.26 0.00 0.02 0.00 0.00 55.97 54.46 1r3b s LYS 213 Cb -0.05 0.29 0.09 0.00 -0.52 0.00 0.00 37.83 37.64 1r3b s LYS 213 CO 0.11 -0.34 0.85 0.34 -0.92 0.00 0.00 175.35 175.38 1r3b s ASP 214 N -3.05 -0.60 0.00 2.83 2.15 -1.26 -5.33 116.67 111.41 1r3b s ASP 214 Ca 0.26 1.05 0.00 0.00 0.43 0.00 0.00 52.55 54.28 1r3b s ASP 214 Cb 0.06 1.02 0.00 0.00 -0.30 0.00 0.00 42.92 43.70 1r3b s ASP 214 CO 0.04 -0.28 0.00 -2.11 -0.17 0.00 0.00 175.17 172.65