#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 1.06 3.42 -5.12 0.00 -1.26 -5.12 105.19 98.17 1r3b n GLY 15 Ca 0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 5.47 0.01 1.61 0.01 -1.26 -5.08 113.70 114.47 1r3b s SER 16 Ca 0.00 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.70 1r3b s SER 16 Cb 0.00 -1.98 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 1r3b s SER 16 CO 0.00 -0.20 -0.08 -0.44 0.41 0.00 0.00 173.24 172.92 1r3b s SER 17 N 1.59 0.97 -0.01 2.44 0.01 -1.26 -5.15 113.70 112.28 1r3b s SER 17 Ca 0.04 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.98 1r3b s SER 17 Cb -0.17 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 1r3b s SER 17 CO 0.05 0.00 0.06 -1.38 0.41 0.00 0.00 173.24 172.38 1r3b s HIS 18 N -0.59 0.03 -0.04 2.43 0.00 -1.26 -5.16 115.29 110.70 1r3b s HIS 18 Ca -0.01 -0.04 0.05 0.00 -3.00 0.00 0.00 55.06 52.06 1r3b s HIS 18 Cb -0.05 -0.04 -0.01 0.00 -4.00 0.00 0.00 32.58 28.48 1r3b s HIS 18 CO 0.00 -0.12 -0.19 -1.01 -1.00 0.00 0.00 174.74 172.42 1r3b s HIS 19 N -0.58 1.85 -0.10 0.38 0.09 -1.26 -5.13 115.29 110.53 1r3b s HIS 19 Ca -0.07 -0.47 -0.13 0.00 -0.00 0.00 0.00 55.06 54.40 1r3b s HIS 19 Cb -0.04 -1.22 0.03 0.00 -0.00 0.00 0.00 32.58 31.35 1r3b s HIS 19 CO 0.00 -0.13 0.34 -3.38 -0.00 0.00 0.00 174.74 171.58 1r3b s HIS 20 N -0.18 -0.33 -0.30 1.40 0.00 -1.26 -5.15 115.29 109.47 1r3b s HIS 20 Ca 0.00 0.77 -0.14 0.00 -3.00 0.00 0.00 55.06 52.70 1r3b s HIS 20 Cb -0.10 0.12 0.14 0.00 -4.00 0.00 0.00 32.58 28.74 1r3b s HIS 20 CO 0.01 -0.24 0.83 -1.58 -1.00 0.00 0.00 174.74 172.77 1r3b s HIS 21 N -0.19 -0.94 -0.03 0.38 5.65 -1.26 -5.16 115.29 113.74 1r3b s HIS 21 Ca -0.03 1.70 0.05 0.00 0.25 0.00 0.00 55.06 57.03 1r3b s HIS 21 Cb -0.03 0.57 -0.01 0.00 -1.18 0.00 0.00 32.58 31.93 1r3b s HIS 21 CO 0.01 -0.47 -0.17 -1.01 -0.65 0.00 0.00 174.74 172.46 1r3b s HIS 22 N 2.30 1.59 0.06 3.88 0.09 -1.26 -5.14 115.29 116.81 1r3b s HIS 22 Ca -0.06 -0.37 -0.17 0.00 -0.00 0.00 0.00 55.06 54.46 1r3b s HIS 22 Cb -0.07 -1.05 0.03 0.00 -0.00 0.00 0.00 32.58 31.48 1r3b s HIS 22 CO -0.18 -0.09 0.38 -3.38 -0.00 0.00 0.00 174.74 171.47 1r3b s HIS 23 N -0.19 -0.21 0.14 1.40 0.00 -1.26 -5.17 115.29 110.00 1r3b s HIS 23 Ca 0.02 0.09 0.07 0.00 -3.00 0.00 0.00 55.06 52.24 1r3b s HIS 23 Cb -0.09 0.19 -0.04 0.00 -4.00 0.00 0.00 32.58 28.64 1r3b s HIS 23 CO 0.01 -0.58 -0.07 -1.12 -1.00 0.00 0.00 174.74 171.98 1r3b s SER 24 N -2.18 4.49 -0.21 7.38 0.01 -1.26 -5.12 113.70 116.81 1r3b s SER 24 Ca -0.03 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 1r3b s SER 24 Cb -0.00 -0.87 0.07 0.00 0.21 0.00 0.00 66.02 65.42 1r3b s SER 24 CO -0.05 0.13 0.07 -0.94 0.41 0.00 0.00 173.24 172.87 1r3b s SER 25 N -2.58 2.93 0.00 2.44 1.04 -1.26 -5.09 113.70 111.18 1r3b s SER 25 Ca 0.24 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1r3b s SER 25 Cb -0.10 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1r3b s SER 25 CO 0.16 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1r3b n GLY 26 N 5.12 3.56 2.83 7.32 0.00 -1.26 -5.15 105.19 117.62 1r3b n GLY 26 Ca -0.07 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 0.94 -0.12 0.99 0.05 -1.26 -5.12 118.68 114.16 1r3b s LEU 27 Ca 0.00 -0.26 -0.27 0.00 0.05 0.00 0.00 54.13 53.65 1r3b s LEU 27 Cb 0.00 -0.65 -0.02 0.00 -2.05 0.00 0.00 46.19 43.47 1r3b s LEU 27 CO 0.00 -0.17 0.90 -0.69 -0.55 0.00 0.00 176.35 175.84 1r3b s VAL 28 N 1.83 4.86 0.82 1.48 1.01 -1.26 -5.05 120.40 124.10 1r3b s VAL 28 Ca 0.04 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 63.72 1r3b s VAL 28 Cb -0.13 -4.21 0.09 0.00 0.00 0.00 0.00 36.38 32.12 1r3b s VAL 28 CO -0.07 0.05 1.09 -2.16 0.00 0.00 0.00 175.10 174.02 1r3b s PRO 29 N 1.86 1.85 -0.28 2.72 0.04 -1.26 -5.06 135.00 134.87 1r3b s PRO 29 Ca 0.43 0.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 1r3b s PRO 29 Cb -0.18 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.57 1r3b s PRO 29 CO 0.16 -1.81 0.11 -0.98 0.04 0.00 0.00 177.00 174.53 1r3b s ARG 30 N -5.07 0.35 0.19 4.56 1.70 -1.26 -5.13 118.95 114.30 1r3b s ARG 30 Ca 0.62 -0.63 -0.09 0.00 -0.47 0.00 0.00 55.73 55.16 1r3b s ARG 30 Cb -0.16 -1.51 -0.01 0.00 -0.57 0.00 0.00 34.95 32.71 1r3b s ARG 30 CO 0.55 -0.95 0.32 0.20 -1.08 0.00 0.00 175.30 174.34 1r3b s GLY 31 N 1.96 0.63 -0.16 3.88 0.00 -1.26 -5.17 107.32 107.20 1r3b s GLY 31 Ca 0.08 -1.00 -0.14 0.00 0.00 0.00 0.00 44.72 43.66 1r3b s GLY 31 CO -0.29 -0.85 0.43 -1.35 0.00 0.00 0.00 173.10 171.04 1r3b s SER 32 N -3.01 -0.46 -0.20 1.64 1.04 -1.26 -5.15 113.70 106.30 1r3b s SER 32 Ca 0.22 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.49 1r3b s SER 32 Cb 0.03 0.87 -0.02 0.00 0.10 0.00 0.00 66.02 67.00 1r3b s SER 32 CO 0.04 -0.16 -0.04 0.00 0.98 0.00 0.00 173.24 174.07 1r3b s ALA 33 N 0.42 2.89 -0.29 5.32 0.00 -1.26 -5.06 121.76 123.78 1r3b s ALA 33 Ca -0.02 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1r3b s ALA 33 Cb -0.04 -1.66 0.17 0.00 0.00 0.00 0.00 23.12 21.59 1r3b s ALA 33 CO -0.02 -0.18 0.45 0.99 0.00 0.00 0.00 175.76 177.01 1r3b s THR 34 N 1.05 -0.72 0.53 0.00 2.01 -1.26 -5.16 115.64 112.10 1r3b s THR 34 Ca 0.01 -0.20 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 1r3b s THR 34 Cb -0.15 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1r3b s THR 34 CO 0.00 -0.20 0.86 -0.22 -0.69 0.00 0.00 174.62 174.37 1r3b s LEU 35 N 2.61 3.45 -0.43 4.42 2.96 -1.26 -5.06 118.68 125.38 1r3b s LEU 35 Ca 0.11 0.94 -0.01 0.00 -0.22 0.00 0.00 54.13 54.95 1r3b s LEU 35 Cb -0.12 -3.87 0.12 0.00 0.50 0.00 0.00 46.19 42.81 1r3b s LEU 35 CO -0.27 -0.77 0.20 -0.83 -1.32 0.00 0.00 176.35 173.36 1r3b s GLY 36 N -4.18 2.08 0.43 7.98 0.00 -1.26 -5.07 107.32 107.30 1r3b s GLY 36 Ca 0.50 -2.69 0.02 0.00 0.00 0.00 0.00 44.72 42.56 1r3b s GLY 36 CO 0.46 1.02 0.06 -1.26 0.00 0.00 0.00 173.10 173.38 1r3b n SER 37 N 4.26 2.34 0.00 1.64 2.88 -1.26 -5.15 113.62 118.34 1r3b n SER 37 Ca 0.01 -3.07 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1r3b n SER 37 Cb 0.40 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1r3b n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r3b n GLY 38 N -0.65 4.38 3.59 0.46 0.00 -1.26 -5.18 105.19 106.53 1r3b n GLY 38 Ca -0.13 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.71 0.17 1.61 -0.87 -1.26 -5.04 114.94 108.84 1r3b s ASN 39 Ca 0.00 1.32 0.04 0.00 -1.57 0.00 0.00 52.86 52.65 1r3b s ASN 39 Cb 0.00 1.32 0.02 0.00 -0.02 0.00 0.00 41.25 42.57 1r3b s ASN 39 CO 0.00 -0.27 1.40 0.25 -2.57 0.00 0.00 177.10 175.90 1r3b h LEU 40 N 4.86 0.18 0.02 0.60 7.12 -2.02 -2.52 115.31 123.55 1r3b h LEU 40 Ca -0.29 -0.15 -0.08 0.00 0.13 0.00 0.00 57.88 57.49 1r3b h LEU 40 Cb 1.16 -0.06 0.01 0.00 -0.53 0.00 0.00 40.66 41.24 1r3b h LEU 40 CO 0.10 0.95 -0.34 -0.09 -0.13 0.00 0.00 178.44 178.94 1r3b h ARG 41 N 0.08 0.20 -0.27 1.25 9.65 -2.01 -3.27 114.38 120.01 1r3b h ARG 41 Ca -0.03 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 58.58 1r3b h ARG 41 Cb 1.48 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.12 1r3b h ARG 41 CO 0.13 0.99 0.03 1.96 2.80 0.00 0.00 179.97 185.88 1r3b h GLN 42 N -0.49 0.39 0.00 0.20 4.20 -1.88 -1.16 115.11 116.38 1r3b h GLN 42 Ca -0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1r3b h GLN 42 Cb 1.12 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1r3b h GLN 42 CO 0.07 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 1r3b n ALA 43 N -2.49 1.44 0.00 3.87 0.00 -0.95 -2.28 120.51 120.11 1r3b n ALA 43 Ca 0.01 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1r3b n ALA 43 Cb 0.19 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 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 1.01 -3.18 0.00 2.07 -1.25 -3.46 116.25 111.44 1r3b h VAL 44 Ca 0.00 -2.82 -0.67 0.00 0.82 0.00 0.00 66.70 64.04 1r3b h VAL 44 Cb 0.24 2.53 -0.34 0.00 -1.52 0.00 0.00 31.29 32.19 1r3b h VAL 44 CO 0.00 0.63 -0.86 -0.32 0.02 0.00 0.00 177.57 177.03 1r3b s MET 45 N -2.62 2.94 -0.30 1.57 0.00 -0.96 -4.85 119.30 115.07 1r3b s MET 45 Ca -0.05 -0.82 -0.37 0.00 0.00 0.00 0.00 55.69 54.44 1r3b s MET 45 Cb 0.08 -2.41 -0.13 0.00 0.00 0.00 0.00 34.83 32.37 1r3b s MET 45 CO 0.82 -0.06 2.00 -0.11 0.00 0.00 0.00 175.02 177.68 1r3b n LEU 46 N 4.20 2.29 -4.77 4.11 7.94 -1.26 -4.82 117.00 124.69 1r3b n LEU 46 Ca -0.20 0.72 -0.41 0.00 -1.11 0.00 0.00 56.01 55.01 1r3b n LEU 46 Cb 0.51 -1.21 -0.01 0.00 0.53 0.00 0.00 43.42 43.24 1r3b n LEU 46 CO 0.26 -0.55 1.09 -2.16 -1.11 0.00 0.00 177.39 174.92 1r3b s PRO 47 N 5.07 4.20 -0.15 1.96 0.04 -1.26 -4.88 135.00 139.98 1r3b s PRO 47 Ca 1.05 2.43 -0.32 0.00 0.04 0.00 0.00 61.00 64.20 1r3b s PRO 47 Cb -0.95 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.48 1r3b s PRO 47 CO 0.56 -0.41 2.05 0.39 0.04 0.00 0.00 177.00 179.63 1r3b n GLU 48 N 0.79 2.03 0.00 4.56 1.02 -1.26 -2.16 120.64 125.61 1r3b n GLU 48 Ca 0.01 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1r3b n GLU 48 Cb 0.40 -2.83 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 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 5.19 3.79 3.79 0.62 0.00 -1.26 -5.11 105.19 112.21 1r3b n GLY 49 Ca 0.28 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1r3b n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r3b s GLU 50 N 0.00 2.09 0.35 1.61 2.56 -0.92 -5.05 118.70 119.33 1r3b s GLU 50 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 54.97 55.67 1r3b s GLU 50 Cb 0.00 -1.91 -0.04 0.00 2.00 0.00 0.00 34.13 34.17 1r3b s GLU 50 CO 0.00 -1.64 0.60 -0.51 -0.56 0.00 0.00 175.26 173.15 1r3b s ASP 51 N -3.79 6.37 0.03 -1.70 1.11 -1.26 -4.95 116.67 112.48 1r3b s ASP 51 Ca 0.61 0.70 -0.27 0.00 0.18 0.00 0.00 52.55 53.76 1r3b s ASP 51 Cb -0.15 -2.14 -0.16 0.00 1.07 0.00 0.00 42.92 41.54 1r3b s ASP 51 CO 0.55 -0.30 1.29 0.25 1.18 0.00 0.00 175.17 178.14 1r3b h LEU 52 N 1.14 -0.58 -1.11 1.23 7.12 -1.99 -1.40 115.31 119.73 1r3b h LEU 52 Ca -0.48 -0.06 0.24 0.00 0.13 0.00 0.00 57.88 57.71 1r3b h LEU 52 Cb 1.20 0.15 -0.11 0.00 -0.53 0.00 0.00 40.66 41.37 1r3b h LEU 52 CO 0.64 -0.25 0.62 -0.55 -0.13 0.00 0.00 178.44 178.77 1r3b h ASN 53 N -0.92 0.63 -0.26 1.25 -1.07 -2.00 0.17 115.58 113.38 1r3b h ASN 53 Ca -0.07 0.11 -0.07 0.00 0.07 0.00 0.00 56.30 56.34 1r3b h ASN 53 Cb 0.60 0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.86 1r3b h ASN 53 CO 0.11 0.13 -0.11 -0.08 0.07 0.00 0.00 177.43 177.55 1r3b h GLU 54 N 0.56 0.54 -0.39 4.14 4.81 -1.95 -2.74 114.58 119.56 1r3b h GLU 54 Ca 0.62 -0.23 0.08 0.00 -0.13 0.00 0.00 59.36 59.70 1r3b h GLU 54 Cb 1.24 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1r3b h GLU 54 CO -0.41 0.78 -0.12 2.35 -0.73 0.00 0.00 179.01 180.89 1r3b h TRP 55 N 0.27 -0.26 -0.12 0.92 -0.00 0.45 0.62 115.95 117.82 1r3b h TRP 55 Ca 0.06 0.04 0.04 0.00 -0.00 0.00 0.00 58.89 59.02 1r3b h TRP 55 Cb 0.62 0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 29.92 1r3b h TRP 55 CO 0.06 -0.19 -0.11 0.82 -0.00 0.00 0.00 178.44 179.02 1r3b h ILE 56 N -0.03 0.69 -0.73 2.65 2.04 -1.26 0.67 117.51 121.55 1r3b h ILE 56 Ca 0.19 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 1r3b h ILE 56 Cb 0.32 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1r3b h ILE 56 CO -0.42 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.05 1r3b h ALA 57 N 0.96 1.20 -0.14 1.87 0.00 -1.03 0.21 119.26 122.32 1r3b h ALA 57 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1r3b h ALA 57 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r3b h ALA 57 CO -0.20 0.60 0.08 0.28 0.00 0.00 0.00 179.25 180.01 1r3b h VAL 58 N 1.04 1.08 -0.00 0.00 2.07 0.10 -2.30 116.25 118.24 1r3b h VAL 58 Ca 0.25 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.39 1r3b h VAL 58 Cb 0.15 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1r3b h VAL 58 CO -0.03 0.07 -0.79 0.78 0.02 0.00 0.00 177.57 177.63 1r3b h ASN 59 N 0.15 0.09 0.44 0.57 2.35 -0.68 -2.60 115.58 115.88 1r3b h ASN 59 Ca 0.05 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1r3b h ASN 59 Cb 0.05 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1r3b h ASN 59 CO -0.01 0.84 -0.21 0.74 -1.65 0.00 0.00 177.43 177.14 1r3b h THR 60 N 0.04 0.55 -0.40 2.81 2.02 -0.45 0.88 112.91 118.36 1r3b h THR 60 Ca -0.02 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1r3b h THR 60 Cb 1.39 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1r3b h THR 60 CO 0.11 0.05 0.06 0.58 0.37 0.00 0.00 175.52 176.69 1r3b h VAL 61 N -0.76 1.20 0.04 3.16 2.07 -1.52 0.10 116.25 120.55 1r3b h VAL 61 Ca -0.06 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1r3b h VAL 61 Cb 0.53 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1r3b h VAL 61 CO 0.10 0.26 -0.02 0.44 0.02 0.00 0.00 177.57 178.37 1r3b h ASP 62 N 0.59 -0.05 0.70 0.57 5.19 -1.30 -0.28 116.42 121.84 1r3b h ASP 62 Ca 0.13 -0.39 -0.03 0.00 -0.62 0.00 0.00 57.03 56.12 1r3b h ASP 62 Cb 0.28 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1r3b h ASP 62 CO 0.00 0.37 -0.36 -0.26 -3.12 0.00 0.00 179.24 175.88 1r3b h PHE 63 N -0.49 -0.93 -0.32 4.55 -1.00 0.10 0.49 116.94 119.35 1r3b h PHE 63 Ca -0.01 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.83 1r3b h PHE 63 Cb 0.44 0.32 -0.02 0.00 3.61 0.00 0.00 35.95 40.30 1r3b h PHE 63 CO 0.07 -0.57 0.22 0.35 -1.61 0.00 0.00 178.31 176.77 1r3b h PHE 64 N -0.97 0.11 0.01 -0.55 3.57 -0.88 0.16 116.94 118.40 1r3b h PHE 64 Ca -0.09 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1r3b h PHE 64 Cb 0.75 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1r3b h PHE 64 CO -0.04 0.06 -0.01 -0.97 -2.23 0.00 0.00 178.31 175.12 1r3b h ASN 65 N 0.11 -0.01 -0.57 0.41 -1.24 -0.50 -0.84 115.58 112.94 1r3b h ASN 65 Ca 0.15 -0.72 -0.00 0.00 0.71 0.00 0.00 56.30 56.43 1r3b h ASN 65 Cb 0.44 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 1r3b h ASN 65 CO -0.02 0.73 0.35 -0.61 -1.29 0.00 0.00 177.43 176.59 1r3b h GLN 66 N -0.78 0.77 -0.44 6.67 5.75 0.46 0.32 115.11 127.86 1r3b h GLN 66 Ca -0.00 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.31 1r3b h GLN 66 Cb 0.74 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1r3b h GLN 66 CO 0.00 0.56 -0.18 -0.84 -2.65 0.00 0.00 178.83 175.72 1r3b h ILE 67 N 0.77 1.27 -0.52 2.39 -0.00 -0.79 -2.59 117.51 118.05 1r3b h ILE 67 Ca 0.21 -1.32 -0.09 0.00 -0.00 0.00 0.00 64.86 63.66 1r3b h ILE 67 Cb -0.02 1.19 -0.02 0.00 -0.00 0.00 0.00 36.82 37.97 1r3b h ILE 67 CO -0.04 0.45 -0.03 -1.13 -0.00 0.00 0.00 178.15 177.40 1r3b h ASN 68 N 0.73 0.92 -0.98 2.16 -1.24 -0.84 -2.52 115.58 113.81 1r3b h ASN 68 Ca 0.10 -0.32 0.02 0.00 0.71 0.00 0.00 56.30 56.81 1r3b h ASN 68 Cb 0.74 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.49 1r3b h ASN 68 CO 0.06 1.02 0.65 0.24 -1.29 0.00 0.00 177.43 178.11 1r3b h MET 69 N 0.80 1.25 -0.30 6.67 2.86 -0.28 -1.77 114.93 124.17 1r3b h MET 69 Ca 0.14 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1r3b h MET 69 Cb 0.57 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1r3b h MET 69 CO 0.03 0.83 0.02 -0.07 1.06 0.00 0.00 176.91 178.79 1r3b h LEU 70 N 1.29 0.50 -2.23 1.22 3.38 -1.30 -2.58 115.31 115.59 1r3b h LEU 70 Ca 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1r3b h LEU 70 Cb -0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1r3b h LEU 70 CO -0.10 0.66 -0.06 0.22 0.09 0.00 0.00 178.44 179.26 1r3b h TYR 71 N 0.32 0.00 -0.39 1.13 3.20 -1.07 -2.41 116.97 117.75 1r3b h TYR 71 Ca 0.09 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1r3b h TYR 71 Cb 0.39 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1r3b h TYR 71 CO 0.03 0.06 -0.19 0.78 -1.64 0.00 0.00 178.16 177.20 1r3b h GLY 72 N 0.53 0.81 2.00 1.82 0.00 -0.91 0.95 103.07 108.27 1r3b h GLY 72 Ca -0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1r3b h GLY 72 CO 0.01 0.61 -0.32 0.00 0.00 0.00 0.00 176.54 176.84 1r3b h THR 73 N 0.67 0.69 0.00 4.70 1.03 -1.43 -3.15 112.91 115.42 1r3b h THR 73 Ca 0.10 -1.46 0.00 0.00 -0.01 0.00 0.00 66.41 65.04 1r3b h THR 73 Cb 0.68 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 1r3b h THR 73 CO 0.05 0.31 -1.01 0.00 -0.01 0.00 0.00 175.52 174.87 1r3b n ILE 74 N -3.38 0.00 -0.18 0.00 0.00 -1.07 -4.43 119.36 110.29 1r3b n ILE 74 Ca 0.01 -0.15 0.23 0.00 0.00 0.00 0.00 62.75 62.83 1r3b n ILE 74 Cb 0.52 0.83 0.62 0.00 0.00 0.00 0.00 39.64 41.61 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 0.98 0.61 112.91 125.68 1r3b h THR 75 Ca 0.00 -0.06 -0.07 0.00 -0.01 0.00 0.00 66.41 66.27 1r3b h THR 75 Cb 0.49 0.44 -0.01 0.00 -1.07 0.00 0.00 68.15 67.99 1r3b h THR 75 CO 0.00 0.03 -0.33 1.05 -0.01 0.00 0.00 175.52 176.26 1r3b h GLU 76 N 0.19 0.00 -0.44 0.00 4.11 -1.77 -2.00 114.58 114.66 1r3b h GLU 76 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1r3b h GLU 76 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1r3b h GLU 76 CO -0.08 0.33 0.00 1.19 0.07 0.00 0.00 179.01 180.52 1r3b n PHE 77 N -3.97 0.58 -2.64 2.06 3.72 0.21 -4.88 117.46 112.53 1r3b n PHE 77 Ca -0.02 -0.29 -0.43 0.00 -0.05 0.00 0.00 57.45 56.66 1r3b n PHE 77 Cb 0.39 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 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 3.02 4.93 0.26 0.00 2.01 -1.26 -4.93 115.64 119.67 1r3b s THR 79 Ca 0.46 1.45 0.26 0.00 0.31 0.00 0.00 61.69 64.17 1r3b s THR 79 Cb -0.16 -4.06 0.27 0.00 0.01 0.00 0.00 72.50 68.56 1r3b s THR 79 CO 0.09 0.04 1.95 -0.08 -0.69 0.00 0.00 174.62 175.93 1r3b h GLU 80 N 7.45 0.00 0.00 4.92 4.81 -1.95 -2.67 114.58 127.14 1r3b h GLU 80 Ca -0.29 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1r3b h GLU 80 Cb 1.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1r3b h GLU 80 CO 0.82 0.17 -0.11 0.66 -0.73 0.00 0.00 179.01 179.81 1r3b h SER 81 N 0.00 0.00 -3.26 1.04 4.64 -2.03 -3.41 113.55 110.53 1r3b h SER 81 Ca -0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1r3b h SER 81 Cb 0.55 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.48 1r3b h SER 81 CO 0.02 0.11 -0.58 0.28 -0.87 0.00 0.00 176.83 175.79 1r3b s THR 82 N -4.40 4.62 0.42 2.95 -1.32 -1.01 -4.98 115.64 111.92 1r3b s THR 82 Ca -0.04 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1r3b s THR 82 Cb 0.14 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 1r3b s THR 82 CO 0.61 0.49 0.00 0.00 -2.21 0.00 0.00 174.62 173.51 1r3b n SER 84 N -2.83 -2.52 -4.29 0.00 7.64 -1.26 -4.54 113.62 105.82 1r3b n SER 84 Ca -0.03 0.62 -0.24 0.00 1.01 0.00 0.00 58.87 60.23 1r3b n SER 84 Cb 0.39 2.51 -0.12 0.00 -1.01 0.00 0.00 64.21 65.98 1r3b n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r3b s VAL 85 N -2.00 1.72 0.23 0.44 0.11 -1.26 -3.94 120.40 115.70 1r3b s VAL 85 Ca 0.00 -1.60 0.12 0.00 -2.93 0.00 0.00 61.98 57.57 1r3b s VAL 85 Cb 0.00 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.21 1r3b s VAL 85 CO 0.00 -0.10 -0.22 0.00 -3.33 0.00 0.00 175.10 171.45 1r3b s MET 86 N -2.04 1.60 0.34 1.54 0.23 -1.26 -5.15 119.30 114.57 1r3b s MET 86 Ca 0.08 -1.64 0.08 0.00 -1.03 0.00 0.00 55.69 53.18 1r3b s MET 86 Cb -0.09 -1.81 -0.04 0.00 -1.53 0.00 0.00 34.83 31.35 1r3b s MET 86 CO 0.05 0.37 0.12 -1.54 -2.03 0.00 0.00 175.02 171.98 1r3b s SER 87 N -3.07 4.57 -0.25 -1.18 1.04 -1.26 -4.51 113.70 109.03 1r3b s SER 87 Ca 0.25 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1r3b s SER 87 Cb -0.07 -0.68 0.07 0.00 0.10 0.00 0.00 66.02 65.45 1r3b s SER 87 CO 0.12 -0.30 -0.00 0.00 0.98 0.00 0.00 173.24 174.04 1r3b s ALA 88 N -2.45 1.86 0.00 5.32 0.00 -1.21 -4.82 121.76 120.45 1r3b s ALA 88 Ca 0.37 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1r3b s ALA 88 Cb -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1r3b s ALA 88 CO 0.22 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1r3b n GLY 89 N 4.71 -0.44 0.41 0.00 0.00 -1.26 -4.20 105.19 104.41 1r3b n GLY 89 Ca -0.08 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.65 0.00 1.61 0.11 -2.02 -3.43 132.00 127.62 1r3b h PRO 90 Ca 0.00 0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.00 1r3b h PRO 90 Cb 0.00 0.15 0.07 0.00 0.11 0.00 0.00 31.00 31.32 1r3b h PRO 90 CO 0.00 -0.43 0.14 0.54 -0.21 0.00 0.00 178.00 178.04 1r3b n ARG 91 N -5.01 -0.63 -4.01 1.05 1.74 -1.26 -5.06 116.66 103.49 1r3b n ARG 91 Ca -0.08 -0.74 -0.31 0.00 -0.77 0.00 0.00 57.85 55.95 1r3b n ARG 91 Cb 0.36 -0.51 -0.15 0.00 -1.02 0.00 0.00 32.46 31.13 1r3b n ARG 91 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1r3b s TYR 92 N -2.03 3.28 -0.28 -1.55 1.13 -1.26 -3.31 117.35 113.33 1r3b s TYR 92 Ca 0.28 -2.53 -0.16 0.00 -1.41 0.00 0.00 57.07 53.24 1r3b s TYR 92 Cb -0.01 -2.34 0.08 0.00 -1.10 0.00 0.00 41.96 38.60 1r3b s TYR 92 CO 0.19 -0.90 0.70 -1.83 -2.51 0.00 0.00 175.55 171.21 1r3b s GLU 93 N 1.08 0.69 -0.30 -3.49 -1.05 -1.26 -4.84 118.70 109.53 1r3b s GLU 93 Ca 0.02 1.21 -0.15 0.00 -0.15 0.00 0.00 54.97 55.91 1r3b s GLU 93 Cb -0.19 0.16 0.17 0.00 -0.44 0.00 0.00 34.13 33.82 1r3b s GLU 93 CO -0.08 -0.15 1.02 -0.47 0.95 0.00 0.00 175.26 176.53 1r3b s TYR 94 N 1.66 -0.62 0.00 4.83 6.14 -1.26 -3.64 117.35 124.46 1r3b s TYR 94 Ca -0.10 0.99 0.00 0.00 0.64 0.00 0.00 57.07 58.60 1r3b s TYR 94 Cb -0.05 0.34 0.00 0.00 0.42 0.00 0.00 41.96 42.67 1r3b s TYR 94 CO -0.20 -0.32 0.08 -2.39 0.64 0.00 0.00 175.55 173.37 1r3b n HIS 95 N 5.03 0.00 -3.20 4.97 1.44 -1.26 -5.00 115.22 117.20 1r3b n HIS 95 Ca -0.08 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.32 1r3b n HIS 95 Cb 0.53 0.14 0.03 0.00 0.12 0.00 0.00 29.99 30.82 1r3b n HIS 95 CO 0.00 0.00 0.00 -2.67 -2.81 0.00 0.00 176.34 170.86 1r3b n TRP 96 N 0.00 -2.11 -3.10 -1.40 2.14 -1.26 -4.90 117.44 106.82 1r3b n TRP 96 Ca 0.00 0.88 -0.35 0.00 2.07 0.00 0.00 57.50 60.10 1r3b n TRP 96 Cb 0.50 -1.47 -0.06 0.00 -0.81 0.00 0.00 31.31 29.47 1r3b n TRP 96 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1r3b s ALA 97 N -1.24 3.39 -0.11 -1.67 0.00 -1.26 -4.80 121.76 116.07 1r3b s ALA 97 Ca 0.31 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1r3b s ALA 97 Cb -0.03 -2.82 -0.11 0.00 0.00 0.00 0.00 23.12 20.16 1r3b s ALA 97 CO 0.69 0.32 -0.02 -0.25 0.00 0.00 0.00 175.76 176.50 1r3b n ASP 98 N 0.48 2.70 0.09 0.00 8.00 -1.26 -4.95 116.55 121.62 1r3b n ASP 98 Ca -0.01 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1r3b n ASP 98 Cb 0.51 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 1r3b n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3b n GLY 99 N 2.57 -0.20 2.02 0.44 0.00 -1.26 -5.04 105.19 103.72 1r3b n GLY 99 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1r3b n GLY 99 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1r3b n THR 100 N -3.28 0.00 -2.27 2.61 -1.04 -1.26 -4.97 114.28 104.07 1r3b n THR 100 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1r3b n THR 100 Cb 0.03 -0.16 0.03 0.00 -1.82 0.00 0.00 70.33 68.40 1r3b n THR 100 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1r3b n ASN 101 N -2.90 3.92 -2.48 8.00 0.23 -1.26 -4.96 115.26 115.81 1r3b n ASN 101 Ca 0.00 -3.24 -0.11 0.00 -0.53 0.00 0.00 54.58 50.70 1r3b n ASN 101 Cb 0.00 -0.38 0.01 0.00 -2.08 0.00 0.00 39.78 37.33 1r3b n ASN 101 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1r3b n ILE 102 N -0.67 -1.86 0.00 1.53 0.00 -1.26 -2.48 119.36 114.62 1r3b n ILE 102 Ca 0.33 0.22 0.00 0.00 0.00 0.00 0.00 62.75 63.30 1r3b n ILE 102 Cb 0.91 -2.17 0.00 0.00 0.00 0.00 0.00 39.64 38.38 1r3b n ILE 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1r3b n LYS 103 N 0.56 0.00 -3.56 9.51 0.00 -1.26 -4.59 118.16 118.83 1r3b n LYS 103 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.13 1r3b n LYS 103 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.36 1r3b n LYS 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1r3b s LYS 104 N 0.00 0.93 0.08 1.64 1.02 -1.03 -5.11 119.74 117.27 1r3b s LYS 104 Ca 0.00 0.46 -0.30 0.00 0.02 0.00 0.00 55.97 56.15 1r3b s LYS 104 Cb 0.00 0.44 -0.06 0.00 -0.52 0.00 0.00 37.83 37.70 1r3b s LYS 104 CO 0.00 -0.24 1.14 -1.25 -0.92 0.00 0.00 175.35 174.08 1r3b s PRO 105 N -0.69 4.49 0.07 -1.68 0.04 -1.25 -5.03 135.00 130.95 1r3b s PRO 105 Ca -0.07 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.49 1r3b s PRO 105 Cb -0.02 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.22 1r3b s PRO 105 CO 0.06 -0.14 0.43 -1.50 0.04 0.00 0.00 177.00 175.89 1r3b s ILE 106 N 0.73 0.05 0.71 0.56 2.07 -1.26 -5.16 121.20 118.91 1r3b s ILE 106 Ca 0.55 -0.45 -0.14 0.00 -1.41 0.00 0.00 60.65 59.21 1r3b s ILE 106 Cb -0.28 -1.03 0.03 0.00 0.13 0.00 0.00 42.46 41.31 1r3b s ILE 106 CO 0.30 -0.25 1.13 -0.54 -1.91 0.00 0.00 174.94 173.68 1r3b s LYS 107 N -2.95 2.45 -0.16 3.50 1.02 -1.26 -5.05 119.74 117.28 1r3b s LYS 107 Ca -0.02 1.44 -0.05 0.00 0.02 0.00 0.00 55.97 57.35 1r3b s LYS 107 Cb 0.00 -1.90 0.08 0.00 -0.52 0.00 0.00 37.83 35.49 1r3b s LYS 107 CO -0.06 -1.53 0.31 0.00 -0.92 0.00 0.00 175.35 173.15 1r3b n SER 109 N 5.36 0.26 0.30 0.00 3.41 -1.26 -4.72 113.62 116.96 1r3b n SER 109 Ca -0.06 -1.21 -0.14 0.00 -0.26 0.00 0.00 58.87 57.20 1r3b n SER 109 Cb 0.50 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.33 -1.15 -0.01 7.33 0.00 -1.80 0.80 119.26 124.10 1r3b h ALA 110 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1r3b h ALA 110 Cb 0.21 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r3b h ALA 110 CO 0.06 -1.13 0.01 -1.00 0.00 0.00 0.00 179.25 177.20 1r3b h PRO 111 N -0.84 0.00 0.17 0.00 0.13 -1.92 -1.10 132.00 128.45 1r3b h PRO 111 Ca -0.07 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.79 1r3b h PRO 111 Cb 0.68 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.83 1r3b h PRO 111 CO 0.07 0.00 -1.24 0.87 -0.23 0.00 0.00 178.00 177.47 1r3b h LYS 112 N 0.00 0.36 -0.33 0.86 6.56 -1.85 -3.21 116.57 118.96 1r3b h LYS 112 Ca 0.00 -0.61 -0.03 0.00 -1.06 0.00 0.00 60.65 58.95 1r3b h LYS 112 Cb 0.03 0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1r3b h LYS 112 CO -0.00 1.29 0.07 -0.92 -2.06 0.00 0.00 179.45 177.84 1r3b h TYR 113 N -0.17 0.55 -0.80 -1.35 5.03 0.12 -2.48 116.97 117.87 1r3b h TYR 113 Ca -0.23 -0.07 0.09 0.00 2.58 0.00 0.00 58.73 61.10 1r3b h TYR 113 Cb 1.86 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 39.93 1r3b h TYR 113 CO 0.15 0.58 0.52 0.97 -1.32 0.00 0.00 178.16 179.06 1r3b h ILE 114 N 0.37 0.97 -0.16 1.81 2.10 -1.36 0.17 117.51 121.41 1r3b h ILE 114 Ca 0.10 -0.26 -0.01 0.00 1.08 0.00 0.00 64.86 65.77 1r3b h ILE 114 Cb 0.31 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 36.17 1r3b h ILE 114 CO 0.00 0.14 0.04 -0.78 -1.08 0.00 0.00 178.15 176.48 1r3b h ASP 115 N 0.76 0.24 0.11 2.19 1.82 -1.48 -2.34 116.42 117.73 1r3b h ASP 115 Ca 0.36 -0.22 -0.05 0.00 -0.39 0.00 0.00 57.03 56.74 1r3b h ASP 115 Cb 0.40 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1r3b h ASP 115 CO -0.14 0.40 -0.17 1.88 -1.61 0.00 0.00 179.24 179.60 1r3b h TYR 116 N 0.07 0.13 -0.16 0.28 0.05 -0.86 0.15 116.97 116.63 1r3b h TYR 116 Ca 0.05 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1r3b h TYR 116 Cb 0.25 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1r3b h TYR 116 CO 0.01 0.29 0.10 -0.07 -1.05 0.00 0.00 178.16 177.44 1r3b h LEU 117 N 0.12 0.19 -0.08 3.88 3.38 -0.25 0.07 115.31 122.61 1r3b h LEU 117 Ca 0.02 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1r3b h LEU 117 Cb 0.37 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1r3b h LEU 117 CO 0.02 0.16 -0.97 0.24 0.09 0.00 0.00 178.44 177.99 1r3b h MET 118 N 0.20 0.01 0.60 1.13 2.86 -1.13 -3.26 114.93 115.35 1r3b h MET 118 Ca 0.06 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1r3b h MET 118 Cb 0.00 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1r3b h MET 118 CO -0.01 0.97 -0.29 1.15 1.06 0.00 0.00 176.91 179.78 1r3b h THR 119 N 0.00 0.33 -0.83 2.22 2.02 -0.47 0.33 112.91 116.52 1r3b h THR 119 Ca -0.01 -0.23 0.16 0.00 0.77 0.00 0.00 66.41 67.10 1r3b h THR 119 Cb 1.70 0.41 -0.10 0.00 -1.74 0.00 0.00 68.15 68.42 1r3b h THR 119 CO 0.13 0.03 0.38 -0.25 0.37 0.00 0.00 175.52 176.17 1r3b h TRP 120 N -0.97 0.65 -0.13 3.16 7.01 -1.11 0.94 115.95 125.50 1r3b h TRP 120 Ca -0.08 0.04 -0.22 0.00 2.11 0.00 0.00 58.89 60.74 1r3b h TRP 120 Cb 0.67 -0.16 0.01 0.00 -2.10 0.00 0.00 29.16 27.58 1r3b h TRP 120 CO -0.01 0.08 -0.78 -0.39 -2.79 0.00 0.00 178.44 174.56 1r3b h VAL 121 N 0.50 1.30 0.00 2.65 -1.51 -1.58 -3.15 116.25 114.47 1r3b h VAL 121 Ca 0.47 -2.02 -0.08 0.00 -1.23 0.00 0.00 66.70 63.83 1r3b h VAL 121 Cb 0.74 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 1r3b h VAL 121 CO -0.42 0.63 -0.39 -0.61 -1.23 0.00 0.00 177.57 175.55 1r3b h GLN 122 N 0.47 0.00 -0.95 5.19 -0.00 0.13 -3.10 115.11 116.85 1r3b h GLN 122 Ca -0.05 0.00 0.15 0.00 -0.00 0.00 0.00 58.65 58.75 1r3b h GLN 122 Cb 1.39 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.79 1r3b h GLN 122 CO 0.15 0.39 0.60 0.22 0.00 0.00 0.00 178.83 180.20 1r3b h ASP 123 N 0.00 0.75 0.43 -0.69 1.82 0.89 -1.39 116.42 118.23 1r3b h ASP 123 Ca -0.00 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 1r3b h ASP 123 Cb 0.84 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1r3b h ASP 123 CO 0.05 0.36 -0.21 1.56 -1.61 0.00 0.00 179.24 179.39 1r3b h GLN 124 N 0.78 -0.56 0.00 0.28 4.20 -1.67 0.80 115.11 118.94 1r3b h GLN 124 Ca 0.49 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.24 1r3b h GLN 124 Cb 0.72 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1r3b h GLN 124 CO -0.26 -0.25 0.25 1.37 -0.67 0.00 0.00 178.83 179.28 1r3b h LEU 125 N -0.92 0.00 -0.82 1.46 -0.00 -1.56 0.54 115.31 114.01 1r3b h LEU 125 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1r3b h LEU 125 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1r3b h LEU 125 CO 0.10 0.00 -0.28 -0.67 -0.00 0.00 0.00 178.44 177.59 1r3b n ASP 126 N -2.54 1.43 -3.84 0.17 2.03 -0.57 -4.81 116.55 108.42 1r3b n ASP 126 Ca -0.02 -1.21 -0.30 0.00 0.52 0.00 0.00 54.79 53.78 1r3b n ASP 126 Cb 0.29 0.47 -0.14 0.00 -0.72 0.00 0.00 41.12 41.02 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 -1.64 4.02 0.63 1.67 1.11 0.27 -4.96 116.67 117.77 1r3b s ASP 127 Ca 0.11 -2.81 0.18 0.00 0.18 0.00 0.00 52.55 50.21 1r3b s ASP 127 Cb 0.11 -1.36 0.75 0.00 1.07 0.00 0.00 42.92 43.49 1r3b s ASP 127 CO 0.33 -0.25 1.33 -0.33 1.18 0.00 0.00 175.17 177.44 1r3b h GLU 128 N 6.63 0.00 -1.07 8.23 5.08 -1.87 -0.86 114.58 130.73 1r3b h GLU 128 Ca -0.05 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.60 1r3b h GLU 128 Cb 0.91 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.09 1r3b h GLU 128 CO 0.59 0.00 0.72 1.79 -1.00 0.00 0.00 179.01 181.11 1r3b h THR 129 N 0.00 0.49 -0.60 1.13 1.35 -1.93 0.70 112.91 114.05 1r3b h THR 129 Ca 0.25 -0.08 -0.15 0.00 -0.55 0.00 0.00 66.41 65.88 1r3b h THR 129 Cb 2.20 0.23 -0.09 0.00 -1.73 0.00 0.00 68.15 68.76 1r3b h THR 129 CO -0.00 0.04 0.16 0.00 -0.25 0.00 0.00 175.52 175.47 1r3b n LEU 130 N -4.47 5.52 -3.18 3.87 -0.00 -0.33 -4.55 117.00 113.87 1r3b n LEU 130 Ca 0.25 -3.20 -0.18 0.00 -0.00 0.00 0.00 56.01 52.88 1r3b n LEU 130 Cb 0.99 -0.70 -0.03 0.00 -0.00 0.00 0.00 43.42 43.69 1r3b n LEU 130 CO 0.31 0.80 -0.22 0.49 -0.00 0.00 0.00 177.39 178.77 1r3b n PHE 131 N -0.18 0.12 -1.62 1.47 3.72 0.24 -4.61 117.46 116.60 1r3b n PHE 131 Ca 0.35 -3.79 0.00 0.00 -0.05 0.00 0.00 57.45 53.96 1r3b n PHE 131 Cb 1.25 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 1r3b n PHE 131 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1r3b n PRO 132 N 0.30 0.81 0.00 -1.08 -0.04 -1.25 -4.93 135.00 128.82 1r3b n PRO 132 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 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 0.43 -0.04 0.00 0.00 175.50 175.89 1r3b n SER 133 N -2.22 -1.22 -3.67 3.54 7.64 -1.26 -4.84 113.62 111.59 1r3b n SER 133 Ca 0.00 -0.35 -0.28 0.00 1.01 0.00 0.00 58.87 59.25 1r3b n SER 133 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 -2.88 1.46 -0.20 1.43 2.36 -1.26 -4.05 119.74 116.59 1r3b s LYS 134 Ca 0.00 -2.34 -0.00 0.00 -2.55 0.00 0.00 55.97 51.08 1r3b s LYS 134 Cb 0.00 -2.34 0.05 0.00 -1.05 0.00 0.00 37.83 34.49 1r3b s LYS 134 CO 0.00 -1.25 -0.04 0.96 1.55 0.00 0.00 175.35 176.56 1r3b s ILE 135 N -0.14 1.23 0.00 5.43 -0.00 -1.26 -4.97 121.20 121.49 1r3b s ILE 135 Ca 0.23 -0.87 0.00 0.00 -0.00 0.00 0.00 60.65 60.01 1r3b s ILE 135 Cb -0.12 -1.48 0.00 0.00 -0.00 0.00 0.00 42.46 40.86 1r3b s ILE 135 CO -0.09 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.46 1r3b n GLY 136 N 4.81 0.36 3.75 6.27 0.00 -1.26 -4.74 105.19 114.38 1r3b n GLY 136 Ca -0.12 0.54 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 1r3b n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3b s VAL 137 N 0.00 3.79 -0.32 1.61 0.11 -1.26 -4.96 120.40 119.37 1r3b s VAL 137 Ca 0.00 1.76 -0.28 0.00 -2.93 0.00 0.00 61.98 60.53 1r3b s VAL 137 Cb 0.00 -4.12 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1r3b s VAL 137 CO 0.00 0.40 2.04 -2.16 -3.33 0.00 0.00 175.10 172.05 1r3b s PRO 138 N -1.15 3.08 0.00 1.54 0.04 -1.26 -4.75 135.00 132.50 1r3b s PRO 138 Ca 0.44 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1r3b s PRO 138 Cb -0.29 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1r3b s PRO 138 CO 0.36 -2.16 0.00 1.19 0.04 0.00 0.00 177.00 176.43 1r3b n PHE 139 N 11.62 0.00 -1.34 0.56 3.01 -1.26 0.14 117.46 130.19 1r3b n PHE 139 Ca 0.27 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.38 1r3b n PHE 139 Cb 0.47 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.02 1r3b n PHE 139 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1r3b n PRO 140 N 0.00 2.69 -2.52 -1.08 -0.04 -1.26 -4.68 135.00 128.11 1r3b n PRO 140 Ca 0.00 -3.30 -0.06 0.00 -0.04 0.00 0.00 63.50 60.10 1r3b n PRO 140 Cb 0.00 -2.29 -0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1r3b n PRO 140 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1r3b n LYS 141 N -0.91 -2.65 -0.97 0.54 2.85 0.38 -4.48 118.16 112.93 1r3b n LYS 141 Ca 0.63 0.27 -0.00 0.00 -1.05 0.00 0.00 58.31 58.16 1r3b n LYS 141 Cb 0.65 -4.82 0.00 0.00 -0.65 0.00 0.00 35.03 30.21 1r3b n LYS 141 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1r3b n ASN 142 N -1.66 -0.03 -0.12 -5.58 5.15 -1.19 -4.95 115.26 106.88 1r3b n ASN 142 Ca -0.06 -0.49 -0.09 0.00 -0.60 0.00 0.00 54.58 53.34 1r3b n ASN 142 Cb 0.55 0.01 -0.01 0.00 -0.53 0.00 0.00 39.78 39.80 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1r3b h PHE 143 N 0.01 0.53 -0.57 1.20 3.57 -1.78 0.87 116.94 120.77 1r3b h PHE 143 Ca -0.01 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 1r3b h PHE 143 Cb 0.74 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1r3b h PHE 143 CO -0.11 0.43 -0.06 0.52 -2.23 0.00 0.00 178.31 176.86 1r3b h MET 144 N 0.48 1.04 -0.06 1.11 2.86 -1.95 0.88 114.93 119.29 1r3b h MET 144 Ca 0.13 -0.36 -0.21 0.00 -2.06 0.00 0.00 59.70 57.20 1r3b h MET 144 Cb 0.08 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1r3b h MET 144 CO -0.02 1.05 -0.83 1.03 1.06 0.00 0.00 176.91 179.20 1r3b h SER 145 N 0.92 0.60 0.20 1.22 0.87 -1.91 -1.13 113.55 114.32 1r3b h SER 145 Ca 0.15 -0.43 -0.29 0.00 -1.23 0.00 0.00 61.79 59.99 1r3b h SER 145 Cb 0.62 -0.18 0.03 0.00 -0.44 0.00 0.00 62.40 62.43 1r3b h SER 145 CO 0.04 1.20 -1.24 1.62 -0.53 0.00 0.00 176.83 177.93 1r3b h VAL 146 N 0.31 1.31 -0.11 2.23 3.04 0.87 -2.65 116.25 121.24 1r3b h VAL 146 Ca -0.06 -2.53 -0.14 0.00 -1.01 0.00 0.00 66.70 62.96 1r3b h VAL 146 Cb 1.44 2.71 -0.01 0.00 -2.01 0.00 0.00 31.29 33.42 1r3b h VAL 146 CO 0.15 0.76 -0.54 0.00 -1.01 0.00 0.00 177.57 176.94 1r3b h ALA 147 N 0.35 0.88 -0.00 3.17 0.00 0.76 -1.71 119.26 122.70 1r3b h ALA 147 Ca -0.18 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 1r3b h ALA 147 Cb 1.91 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1r3b h ALA 147 CO 0.23 0.68 -0.78 1.57 0.00 0.00 0.00 179.25 180.95 1r3b h LYS 148 N 0.25 0.04 0.00 0.00 5.09 -1.27 -2.81 116.57 117.87 1r3b h LYS 148 Ca 0.01 -0.04 -0.09 0.00 0.09 0.00 0.00 60.65 60.62 1r3b h LYS 148 Cb 1.02 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 33.35 1r3b h LYS 148 CO 0.09 0.80 -0.42 1.15 -2.09 0.00 0.00 179.45 178.98 1r3b h THR 149 N 0.02 0.79 0.00 0.07 2.02 -1.33 -2.76 112.91 111.72 1r3b h THR 149 Ca -0.01 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.31 1r3b h THR 149 Cb 1.38 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1r3b h THR 149 CO 0.10 0.41 -0.00 -0.29 0.37 0.00 0.00 175.52 176.11 1r3b h ILE 150 N 0.00 1.62 -0.04 3.11 2.10 -1.20 -2.90 117.51 120.20 1r3b h ILE 150 Ca -0.00 -1.88 -0.07 0.00 1.08 0.00 0.00 64.86 63.99 1r3b h ILE 150 Cb 1.17 2.90 -0.01 0.00 -1.09 0.00 0.00 36.82 39.79 1r3b h ILE 150 CO 0.05 0.48 -0.29 -0.07 -1.08 0.00 0.00 178.15 177.25 1r3b h LEU 151 N -0.81 0.07 -0.69 2.19 3.38 -1.59 -2.06 115.31 115.80 1r3b h LEU 151 Ca -0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1r3b h LEU 151 Cb 0.80 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1r3b h LEU 151 CO 0.00 0.37 -0.44 0.11 0.09 0.00 0.00 178.44 178.57 1r3b h LYS 152 N 0.07 0.49 0.07 1.13 1.57 -1.57 -1.81 116.57 116.52 1r3b h LYS 152 Ca 0.01 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1r3b h LYS 152 Cb 0.55 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1r3b h LYS 152 CO 0.04 0.84 -0.04 0.00 -0.57 0.00 0.00 179.45 179.72 1r3b h ARG 153 N 0.40 -0.10 -0.07 3.15 2.47 -1.26 -2.65 114.38 116.32 1r3b h ARG 153 Ca 0.03 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1r3b h ARG 153 Cb 0.93 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1r3b h ARG 153 CO 0.08 0.47 0.01 1.37 0.56 0.00 0.00 179.97 182.45 1r3b h LEU 154 N -0.86 -0.01 -0.91 3.04 8.10 -1.46 -2.55 115.31 120.66 1r3b h LEU 154 Ca -0.01 0.01 0.06 0.00 0.11 0.00 0.00 57.88 58.05 1r3b h LEU 154 Cb 0.61 0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 40.79 1r3b h LEU 154 CO 0.02 0.01 0.58 0.15 -4.11 0.00 0.00 178.44 175.08 1r3b h PHE 155 N 0.04 1.08 -0.92 0.17 3.04 -1.46 -1.89 116.94 116.99 1r3b h PHE 155 Ca 0.03 0.03 0.18 0.00 3.98 0.00 0.00 57.97 62.20 1r3b h PHE 155 Cb 0.03 -0.35 -0.11 0.00 2.56 0.00 0.00 35.95 38.08 1r3b h PHE 155 CO -0.11 0.57 0.49 -0.09 -2.02 0.00 0.00 178.31 177.15 1r3b h ARG 156 N 1.07 0.59 -0.03 1.11 9.65 -1.07 1.00 114.38 126.70 1r3b h ARG 156 Ca 0.39 -0.04 -0.23 0.00 -1.10 0.00 0.00 59.98 59.00 1r3b h ARG 156 Cb 0.13 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1r3b h ARG 156 CO -0.16 0.39 -0.92 0.28 2.80 0.00 0.00 179.97 182.37 1r3b h VAL 157 N 0.61 1.36 0.40 0.20 2.07 -1.25 -2.85 116.25 116.79 1r3b h VAL 157 Ca 0.54 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 1r3b h VAL 157 Cb 0.87 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1r3b h VAL 157 CO -0.42 0.70 -0.19 0.22 0.02 0.00 0.00 177.57 177.90 1r3b h TYR 158 N 0.31 -0.50 0.00 1.57 3.20 -0.37 -1.04 116.97 120.14 1r3b h TYR 158 Ca -0.08 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 1r3b h TYR 158 Cb 1.55 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.98 1r3b h TYR 158 CO 0.07 -0.26 -0.09 0.00 -1.64 0.00 0.00 178.16 176.24 1r3b h ALA 159 N -0.07 1.86 0.28 1.82 0.00 -1.00 -2.31 119.26 119.85 1r3b h ALA 159 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1r3b h ALA 159 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r3b h ALA 159 CO 0.09 0.11 -0.14 1.25 0.00 0.00 0.00 179.25 180.56 1r3b h HIS 160 N 0.00 -0.35 -0.80 0.00 -0.00 -1.25 -3.14 115.15 109.61 1r3b h HIS 160 Ca -0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.49 1r3b h HIS 160 Cb 0.15 0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 27.62 1r3b h HIS 160 CO 0.00 -0.01 0.52 -0.84 -0.00 0.00 0.00 177.93 177.61 1r3b h ILE 161 N -0.92 0.87 0.47 6.26 3.07 -1.08 0.75 117.51 126.93 1r3b h ILE 161 Ca -0.04 -0.21 -0.01 0.00 1.55 0.00 0.00 64.86 66.15 1r3b h ILE 161 Cb 0.51 0.20 -0.02 0.00 -0.27 0.00 0.00 36.82 37.24 1r3b h ILE 161 CO 0.06 0.11 -0.41 0.22 -1.05 0.00 0.00 178.15 177.08 1r3b h TYR 162 N 0.61 -1.12 0.00 0.16 5.03 -1.45 0.83 116.97 121.03 1r3b h TYR 162 Ca 0.39 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.64 1r3b h TYR 162 Cb 0.64 0.43 -0.01 0.00 1.55 0.00 0.00 36.73 39.34 1r3b h TYR 162 CO -0.00 -0.58 -0.30 1.12 -1.32 0.00 0.00 178.16 177.08 1r3b h HIS 163 N -0.88 0.00 0.00 -3.82 2.07 -1.42 -2.92 115.15 108.18 1r3b h HIS 163 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1r3b h HIS 163 Cb 0.77 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.75 1r3b h HIS 163 CO -0.20 0.30 -0.00 0.37 -3.07 0.00 0.00 177.93 175.32 1r3b h GLN 164 N 0.00 0.00 -2.45 5.12 5.75 -0.47 -3.41 115.11 119.65 1r3b h GLN 164 Ca -0.00 0.00 -0.69 0.00 -0.15 0.00 0.00 58.65 57.80 1r3b h GLN 164 Cb 0.85 0.00 -0.36 0.00 1.07 0.00 0.00 27.48 29.05 1r3b h GLN 164 CO 0.04 0.00 0.06 0.72 -2.65 0.00 0.00 178.83 177.00 1r3b n HIS 165 N -3.93 3.14 0.08 3.99 -0.00 0.28 -4.85 115.22 113.93 1r3b n HIS 165 Ca -0.00 -3.41 -0.13 0.00 -0.00 0.00 0.00 57.72 54.18 1r3b n HIS 165 Cb 0.00 -0.86 -0.08 0.00 -0.00 0.00 0.00 29.99 29.05 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 4.41 -0.21 -0.89 4.41 3.04 -1.63 -2.87 116.94 123.21 1r3b h PHE 166 Ca 0.23 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.20 1r3b h PHE 166 Cb 0.58 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.11 1r3b h PHE 166 CO 0.91 0.14 0.58 0.22 -2.02 0.00 0.00 178.31 178.14 1r3b h ASP 167 N -0.58 0.98 -0.72 0.41 1.82 -1.88 -1.80 116.42 114.65 1r3b h ASP 167 Ca -0.02 -0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.71 1r3b h ASP 167 Cb 0.44 -0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.17 1r3b h ASP 167 CO 0.04 0.69 0.48 0.00 -1.61 0.00 0.00 179.24 178.83 1r3b h ALA 168 N 1.35 1.92 -0.05 -0.78 0.00 -1.93 0.22 119.26 119.99 1r3b h ALA 168 Ca 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1r3b h ALA 168 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1r3b h ALA 168 CO -0.10 -0.08 0.01 0.28 0.00 0.00 0.00 179.25 179.36 1r3b h VAL 169 N 0.56 1.19 0.00 0.00 2.07 -1.09 -2.53 116.25 116.44 1r3b h VAL 169 Ca 0.34 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1r3b h VAL 169 Cb 0.57 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1r3b h VAL 169 CO -0.12 0.16 -0.35 0.00 0.02 0.00 0.00 177.57 177.28 1r3b h MET 170 N -0.15 0.00 0.02 1.57 -0.00 -1.29 -3.20 114.93 111.89 1r3b h MET 170 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1r3b h MET 170 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 1r3b h MET 170 CO 0.00 0.35 -0.01 0.37 -0.00 0.00 0.00 176.91 177.62 1r3b h GLN 171 N 0.00 -0.03 0.00 -0.10 -0.00 -0.42 -2.98 115.11 111.59 1r3b h GLN 171 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1r3b h GLN 171 Cb 0.89 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.38 1r3b h GLN 171 CO 0.05 0.27 -0.08 1.37 0.00 0.00 0.00 178.83 180.44 1r3b h LEU 172 N -0.32 0.00 0.00 -2.39 8.10 -1.49 -3.45 115.31 115.75 1r3b h LEU 172 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1r3b h LEU 172 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1r3b h LEU 172 CO 0.00 0.08 0.00 0.00 -4.11 0.00 0.00 178.44 174.41 1r3b n GLN 173 N -4.34 0.00 -3.50 0.17 6.02 -1.13 -5.14 117.38 109.46 1r3b n GLN 173 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.82 1r3b n GLN 173 Cb 0.16 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.37 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1r3b s GLU 174 N -0.09 1.04 0.47 -1.09 -1.05 -1.21 -4.82 118.70 111.95 1r3b s GLU 174 Ca 0.00 -0.03 0.27 0.00 -0.15 0.00 0.00 54.97 55.06 1r3b s GLU 174 Cb 0.00 0.49 0.96 0.00 -0.44 0.00 0.00 34.13 35.14 1r3b s GLU 174 CO 0.00 -0.38 1.84 1.49 0.95 0.00 0.00 175.26 179.15 1r3b h GLU 175 N 2.55 0.00 -0.90 -4.83 4.81 -1.83 -3.14 114.58 111.24 1r3b h GLU 175 Ca -0.27 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.16 1r3b h GLU 175 Cb 1.20 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 1r3b h GLU 175 CO 0.37 0.14 0.59 0.00 -0.73 0.00 0.00 179.01 179.38 1r3b h ALA 176 N 1.86 2.20 -0.19 2.92 0.00 -1.96 0.26 119.26 124.35 1r3b h ALA 176 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r3b h ALA 176 Cb 0.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1r3b h ALA 176 CO 0.02 -0.49 0.12 0.45 0.00 0.00 0.00 179.25 179.36 1r3b h HIS 177 N 0.41 0.25 0.01 0.00 3.86 -1.94 0.59 115.15 118.33 1r3b h HIS 177 Ca 0.47 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1r3b h HIS 177 Cb 1.16 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1r3b h HIS 177 CO -0.00 0.16 -0.01 -0.07 0.86 0.00 0.00 177.93 178.87 1r3b h LEU 178 N 0.26 -0.02 -0.51 2.43 3.38 -0.73 -2.96 115.31 117.17 1r3b h LEU 178 Ca 0.07 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1r3b h LEU 178 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1r3b h LEU 178 CO -0.01 0.82 0.29 -1.13 0.09 0.00 0.00 178.44 178.49 1r3b h ASN 179 N -0.97 0.63 -0.36 -0.43 -0.73 -1.21 0.21 115.58 112.73 1r3b h ASN 179 Ca -0.00 -0.08 0.04 0.00 1.87 0.00 0.00 56.30 58.13 1r3b h ASN 179 Cb 0.72 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 39.12 1r3b h ASN 179 CO 0.00 0.52 0.14 0.00 -0.37 0.00 0.00 177.43 177.73 1r3b h THR 180 N 0.68 0.92 -0.04 -3.57 1.03 0.05 -0.22 112.91 111.76 1r3b h THR 180 Ca 0.18 -0.11 -0.11 0.00 -0.01 0.00 0.00 66.41 66.36 1r3b h THR 180 Cb 0.03 0.59 -0.01 0.00 -1.07 0.00 0.00 68.15 67.68 1r3b h THR 180 CO -0.03 0.06 -0.49 0.28 -0.01 0.00 0.00 175.52 175.32 1r3b h SER 181 N 0.31 0.10 0.08 0.00 0.02 -1.32 -2.87 113.55 109.87 1r3b h SER 181 Ca 0.16 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1r3b h SER 181 Cb 0.12 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1r3b h SER 181 CO -0.15 0.58 -0.28 0.15 -1.14 0.00 0.00 176.83 175.99 1r3b h PHE 182 N 0.08 0.36 -0.79 3.45 3.57 0.34 -2.69 116.94 121.27 1r3b h PHE 182 Ca 0.00 -0.08 0.12 0.00 3.53 0.00 0.00 57.97 61.54 1r3b h PHE 182 Cb 0.90 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1r3b h PHE 182 CO 0.01 0.58 0.52 -0.22 -2.23 0.00 0.00 178.31 176.97 1r3b h LYS 183 N 0.29 0.60 -0.15 1.11 3.64 -0.83 -1.22 116.57 120.01 1r3b h LYS 183 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1r3b h LYS 183 Cb 0.65 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1r3b h LYS 183 CO 0.05 0.40 0.03 1.25 -2.27 0.00 0.00 179.45 178.90 1r3b h HIS 184 N 0.62 0.26 -0.32 1.91 2.76 -1.58 0.70 115.15 119.50 1r3b h HIS 184 Ca 0.38 -0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.61 1r3b h HIS 184 Cb 0.61 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1r3b h HIS 184 CO -0.00 0.41 0.37 0.74 -1.30 0.00 0.00 177.93 178.16 1r3b h PHE 185 N 0.04 0.00 0.00 5.26 0.04 -1.25 0.27 116.94 121.29 1r3b h PHE 185 Ca 0.05 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.45 1r3b h PHE 185 Cb 0.29 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 1r3b h PHE 185 CO 0.02 0.00 -2.01 -0.89 -0.60 0.00 0.00 178.31 174.82 1r3b n ILE 186 N -3.68 1.53 -0.28 -0.55 -0.00 -0.89 -3.98 119.36 111.50 1r3b n ILE 186 Ca 0.05 -0.23 -0.02 0.00 -0.00 0.00 0.00 62.75 62.55 1r3b n ILE 186 Cb 0.53 -1.96 0.15 0.00 -0.00 0.00 0.00 39.64 38.36 1r3b n ILE 186 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 1r3b h PHE 187 N -1.00 1.12 -0.50 1.39 3.57 0.77 -0.39 116.94 121.90 1r3b h PHE 187 Ca -0.55 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 60.85 1r3b h PHE 187 Cb 1.47 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1r3b h PHE 187 CO -0.03 0.76 -0.01 0.27 -2.23 0.00 0.00 178.31 177.08 1r3b h PHE 188 N 1.16 0.97 -0.27 0.41 -5.15 -0.68 -0.77 116.94 112.60 1r3b h PHE 188 Ca 0.30 -0.17 -0.14 0.00 -0.20 0.00 0.00 57.97 57.76 1r3b h PHE 188 Cb -0.00 -0.25 -0.00 0.00 0.22 0.00 0.00 35.95 35.92 1r3b h PHE 188 CO 0.01 0.91 -0.38 -0.39 -2.00 0.00 0.00 178.31 176.46 1r3b h VAL 189 N 0.75 1.30 0.00 0.88 -1.51 -1.63 -2.84 116.25 113.20 1r3b h VAL 189 Ca 0.14 -1.56 -0.06 0.00 -1.23 0.00 0.00 66.70 63.98 1r3b h VAL 189 Cb 0.52 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1r3b h VAL 189 CO 0.03 0.50 -0.29 1.56 -1.23 0.00 0.00 177.57 178.13 1r3b h GLN 190 N 0.48 0.00 0.29 5.19 1.08 -1.02 0.56 115.11 121.70 1r3b h GLN 190 Ca 0.03 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1r3b h GLN 190 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1r3b h GLN 190 CO 0.09 0.29 -0.14 1.49 -0.95 0.00 0.00 178.83 179.61 1r3b h GLU 191 N 0.00 -0.38 -0.62 1.46 4.57 -1.03 -3.22 114.58 115.35 1r3b h GLU 191 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1r3b h GLU 191 Cb 0.52 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1r3b h GLU 191 CO 0.04 -0.04 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 1r3b n PHE 192 N -5.09 1.17 -2.82 0.92 3.01 -1.08 -4.90 117.46 108.66 1r3b n PHE 192 Ca -0.09 -0.46 -0.10 0.00 1.01 0.00 0.00 57.45 57.81 1r3b n PHE 192 Cb 0.27 -0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 39.51 1r3b n PHE 192 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1r3b n ASN 193 N 0.78 -1.93 -0.31 4.37 3.02 0.18 -4.78 115.26 116.60 1r3b n ASN 193 Ca 0.20 0.14 -0.01 0.00 -0.03 0.00 0.00 54.58 54.88 1r3b n ASN 193 Cb 0.72 -1.73 0.12 0.00 -0.61 0.00 0.00 39.78 38.28 1r3b n ASN 193 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1r3b h LEU 194 N -0.21 0.89 -8.07 3.41 5.85 -1.44 -3.43 115.31 112.30 1r3b h LEU 194 Ca -0.17 -0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.27 1r3b h LEU 194 Cb 1.12 -0.19 -0.23 0.00 0.37 0.00 0.00 40.66 41.72 1r3b h LEU 194 CO 0.23 0.60 -0.74 -0.63 -0.34 0.00 0.00 178.44 177.56 1r3b s ILE 195 N -6.09 0.45 0.01 4.05 1.01 -1.26 -5.05 121.20 114.33 1r3b s ILE 195 Ca -0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 1r3b s ILE 195 Cb 0.17 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 1r3b s ILE 195 CO 0.79 -0.26 -0.04 0.47 0.00 0.00 0.00 174.94 175.90 1r3b n ASP 196 N 1.89 0.58 0.00 3.58 9.92 -1.26 -4.59 116.55 126.68 1r3b n ASP 196 Ca -0.20 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1r3b n ASP 196 Cb 0.56 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1r3b n ASP 196 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1r3b n ARG 197 N -3.05 0.00 0.10 -1.24 1.74 -1.26 -4.73 116.66 108.23 1r3b n ARG 197 Ca -0.02 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 1r3b n ARG 197 Cb 0.06 -0.19 -0.06 0.00 -1.02 0.00 0.00 32.46 31.25 1r3b n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r3b h ARG 198 N 0.00 -0.32 0.00 5.56 3.08 -1.99 -3.28 114.38 117.42 1r3b h ARG 198 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1r3b h ARG 198 Cb 0.31 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1r3b h ARG 198 CO 0.00 0.01 -0.98 0.39 -1.07 0.00 0.00 179.97 178.32 1r3b n GLU 199 N -5.01 0.37 0.00 0.04 4.71 -1.26 -3.92 120.64 115.57 1r3b n GLU 199 Ca -0.07 0.03 0.09 0.00 -0.01 0.00 0.00 57.16 57.20 1r3b n GLU 199 Cb 0.24 -1.66 0.55 0.00 -1.01 0.00 0.00 31.44 29.57 1r3b n GLU 199 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1r3b n LEU 200 N -2.16 0.00 -0.21 -4.62 4.77 -1.26 -4.24 117.00 109.28 1r3b n LEU 200 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1r3b n LEU 200 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1r3b n LEU 200 CO 0.40 0.00 0.53 0.00 -1.33 0.00 0.00 177.39 176.99 1r3b h ALA 201 N 3.57 -0.51 0.00 -1.18 0.00 -1.68 -2.93 119.26 116.53 1r3b h ALA 201 Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 54.91 54.56 1r3b h ALA 201 Cb 0.00 1.08 0.04 0.00 0.00 0.00 0.00 17.79 18.90 1r3b h ALA 201 CO 0.00 -0.92 2.16 -0.35 0.00 0.00 0.00 179.25 180.13 1r3b n PRO 202 N -5.38 1.39 0.00 0.00 -0.04 -1.26 -2.54 135.00 127.18 1r3b n PRO 202 Ca 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1r3b n PRO 202 Cb 0.34 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 5.81 0.00 0.24 1.53 7.94 -1.11 -4.90 117.00 126.51 1r3b n LEU 203 Ca 0.40 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.40 1r3b n LEU 203 Cb 0.22 0.08 0.55 0.00 0.53 0.00 0.00 43.42 44.81 1r3b n LEU 203 CO 0.83 -0.08 0.86 -0.61 -1.11 0.00 0.00 177.39 177.28 1r3b h GLN 204 N 0.00 0.00 0.00 1.96 4.15 -1.58 -3.00 115.11 116.64 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1r3b h GLN 204 CO 0.00 0.20 -0.00 1.49 -1.93 0.00 0.00 178.83 178.58 1r3b h GLU 205 N 0.00 -0.00 -0.10 1.69 4.81 -1.91 -3.24 114.58 115.82 1r3b h GLU 205 Ca -0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1r3b h GLU 205 Cb 0.60 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1r3b h GLU 205 CO 0.03 0.79 0.08 1.37 -0.73 0.00 0.00 179.01 180.55 1r3b h LEU 206 N -0.81 0.00 -1.10 1.64 8.10 -1.89 -0.60 115.31 120.65 1r3b h LEU 206 Ca -0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 1r3b h LEU 206 Cb 0.80 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.01 1r3b h LEU 206 CO 0.00 0.00 -0.33 0.40 -4.11 0.00 0.00 178.44 174.40 1r3b h ILE 207 N 0.00 1.27 0.22 0.15 2.04 -1.58 -0.87 117.51 118.74 1r3b h ILE 207 Ca 0.05 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1r3b h ILE 207 Cb 0.20 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1r3b h ILE 207 CO -0.00 0.39 -0.10 -0.33 0.00 0.00 0.00 178.15 178.10 1r3b h GLU 208 N 0.19 -0.28 -0.32 2.37 5.08 -1.13 -1.76 114.58 118.73 1r3b h GLU 208 Ca 0.03 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1r3b h GLU 208 Cb 0.68 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1r3b h GLU 208 CO 0.05 0.01 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.73 1r3b h LYS 209 N -0.58 0.55 0.00 2.33 3.64 -1.50 -2.12 116.57 118.89 1r3b h LYS 209 Ca -0.03 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1r3b h LYS 209 Cb 0.42 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1r3b h LYS 209 CO 0.05 0.66 0.00 1.25 -2.27 0.00 0.00 179.45 179.14 1r3b h LEU 210 N 0.51 0.00 -4.28 5.20 6.46 -1.09 -3.27 115.31 118.83 1r3b h LEU 210 Ca 0.09 0.00 -0.42 0.00 -0.12 0.00 0.00 57.88 57.43 1r3b h LEU 210 Cb 0.51 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.28 1r3b h LEU 210 CO 0.03 0.00 0.26 0.61 -0.62 0.00 0.00 178.44 178.72 1r3b n GLY 211 N 0.12 4.07 2.58 3.75 0.00 -0.67 -4.88 105.19 110.17 1r3b n GLY 211 Ca 0.02 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 1r3b n GLY 211 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r3b n SER 212 N 1.07 -3.59 0.02 1.61 3.41 -1.23 -4.99 113.62 109.91 1r3b n SER 212 Ca 0.45 1.40 0.00 0.00 -0.26 0.00 0.00 58.87 60.45 1r3b n SER 212 Cb 0.61 -4.43 0.00 0.00 -0.26 0.00 0.00 64.21 60.13 1r3b n SER 212 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1r3b n LYS 213 N 1.91 0.00 -2.39 4.33 3.00 -1.25 -5.01 118.16 118.75 1r3b n LYS 213 Ca -0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.07 1r3b n LYS 213 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.39 1r3b n LYS 213 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1r3b n ASP 214 N -2.19 -8.65 -0.24 3.14 9.92 -1.26 -5.14 116.55 112.14 1r3b n ASP 214 Ca 0.00 1.83 0.03 0.00 -0.53 0.00 0.00 54.79 56.12 1r3b n ASP 214 Cb 0.00 -5.27 0.02 0.00 -0.64 0.00 0.00 41.12 35.24 1r3b n ASP 214 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19