#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 1.83 2.93 3.03 0.00 -1.26 -5.13 105.19 106.60 1r3b n GLY 15 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 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 2.70 0.23 1.61 0.01 -1.26 -5.12 113.70 111.87 1r3b s SER 16 Ca 0.00 -0.56 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 1r3b s SER 16 Cb 0.00 -0.99 -0.02 0.00 0.21 0.00 0.00 66.02 65.23 1r3b s SER 16 CO 0.00 -0.14 0.34 -0.55 0.41 0.00 0.00 173.24 173.31 1r3b s SER 17 N 1.59 0.05 -0.21 2.44 0.15 -1.26 -5.16 113.70 111.31 1r3b s SER 17 Ca 0.02 -1.13 -0.04 0.00 0.70 0.00 0.00 55.95 55.50 1r3b s SER 17 Cb -0.14 0.51 0.11 0.00 -1.71 0.00 0.00 66.02 64.78 1r3b s SER 17 CO -0.08 -1.03 0.33 -2.28 1.20 0.00 0.00 173.24 171.37 1r3b s HIS 18 N -4.03 -0.62 0.11 3.44 5.65 -1.26 -5.15 115.29 113.43 1r3b s HIS 18 Ca 0.29 0.82 -0.19 0.00 0.25 0.00 0.00 55.06 56.23 1r3b s HIS 18 Cb 0.02 -0.03 -0.07 0.00 -1.18 0.00 0.00 32.58 31.32 1r3b s HIS 18 CO 0.11 -0.59 0.61 -1.01 -0.65 0.00 0.00 174.74 173.21 1r3b s HIS 19 N 2.48 3.78 -0.18 3.88 0.09 -1.26 -5.07 115.29 119.01 1r3b s HIS 19 Ca 0.07 1.30 -0.28 0.00 -0.00 0.00 0.00 55.06 56.16 1r3b s HIS 19 Cb -0.14 -2.53 0.09 0.00 -0.00 0.00 0.00 32.58 30.00 1r3b s HIS 19 CO -0.13 0.53 0.80 -3.38 -0.00 0.00 0.00 174.74 172.56 1r3b s HIS 20 N -1.20 -0.63 -0.30 1.40 0.00 -1.26 -5.15 115.29 108.15 1r3b s HIS 20 Ca 0.32 1.33 -0.07 0.00 -3.00 0.00 0.00 55.06 53.64 1r3b s HIS 20 Cb -0.19 0.36 0.18 0.00 -4.00 0.00 0.00 32.58 28.93 1r3b s HIS 20 CO 0.20 -0.43 0.89 -1.58 -1.00 0.00 0.00 174.74 172.82 1r3b s HIS 21 N -0.42 -0.94 -0.32 0.38 5.65 -1.26 -5.12 115.29 113.25 1r3b s HIS 21 Ca -0.04 0.81 0.01 0.00 0.25 0.00 0.00 55.06 56.09 1r3b s HIS 21 Cb -0.03 0.26 0.14 0.00 -1.18 0.00 0.00 32.58 31.78 1r3b s HIS 21 CO 0.03 -0.53 0.31 -3.38 -0.65 0.00 0.00 174.74 170.52 1r3b s HIS 22 N 2.92 -0.32 0.04 3.88 0.00 -1.26 -5.14 115.29 115.41 1r3b s HIS 22 Ca 0.12 -0.49 -0.08 0.00 -3.00 0.00 0.00 55.06 51.61 1r3b s HIS 22 Cb -0.09 -0.48 -0.00 0.00 -4.00 0.00 0.00 32.58 28.00 1r3b s HIS 22 CO -0.18 -0.93 0.15 -1.58 -1.00 0.00 0.00 174.74 171.20 1r3b s HIS 23 N 1.98 0.12 0.02 0.38 5.65 -1.26 -5.17 115.29 117.01 1r3b s HIS 23 Ca 0.12 -0.38 0.05 0.00 0.25 0.00 0.00 55.06 55.10 1r3b s HIS 23 Cb -0.15 -0.08 -0.02 0.00 -1.18 0.00 0.00 32.58 31.15 1r3b s HIS 23 CO -0.22 -0.41 -0.14 -1.12 -0.65 0.00 0.00 174.74 172.20 1r3b s SER 24 N -2.13 1.70 -0.29 9.88 0.01 -1.26 -5.11 113.70 116.50 1r3b s SER 24 Ca -0.05 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1r3b s SER 24 Cb -0.01 -0.15 0.20 0.00 0.21 0.00 0.00 66.02 66.27 1r3b s SER 24 CO -0.04 0.10 0.64 -0.94 0.41 0.00 0.00 173.24 173.40 1r3b s SER 25 N -0.79 -1.52 0.00 2.44 1.04 -1.26 -5.11 113.70 108.50 1r3b s SER 25 Ca 0.04 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1r3b s SER 25 Cb -0.07 1.96 0.00 0.00 0.10 0.00 0.00 66.02 68.01 1r3b s SER 25 CO 0.01 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1r3b n GLY 26 N 5.36 1.49 3.15 7.32 0.00 -1.26 -5.16 105.19 116.10 1r3b n GLY 26 Ca 0.06 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.34 1r3b n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r3b s LEU 27 N 0.00 -1.31 -0.22 0.99 0.20 -1.26 -5.14 118.68 111.94 1r3b s LEU 27 Ca 0.00 0.72 0.01 0.00 0.69 0.00 0.00 54.13 55.55 1r3b s LEU 27 Cb 0.00 2.06 0.05 0.00 -0.43 0.00 0.00 46.19 47.87 1r3b s LEU 27 CO 0.00 -0.24 -0.10 0.54 -0.29 0.00 0.00 176.35 176.26 1r3b s VAL 28 N 2.87 1.81 0.22 1.68 0.11 -1.26 -5.11 120.40 120.71 1r3b s VAL 28 Ca 0.17 -1.25 -0.30 0.00 -2.93 0.00 0.00 61.98 57.68 1r3b s VAL 28 Cb -0.14 -1.92 -0.09 0.00 -1.53 0.00 0.00 36.38 32.70 1r3b s VAL 28 CO -0.21 0.07 1.33 -2.16 -3.33 0.00 0.00 175.10 170.81 1r3b s PRO 29 N 1.30 4.37 0.07 1.54 0.04 -1.26 -5.04 135.00 136.02 1r3b s PRO 29 Ca -0.04 2.11 0.09 0.00 0.04 0.00 0.00 61.00 63.20 1r3b s PRO 29 Cb -0.18 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1r3b s PRO 29 CO -0.07 -0.27 -0.24 -0.98 0.04 0.00 0.00 177.00 175.48 1r3b s ARG 30 N -0.30 1.76 0.00 4.56 1.70 -1.26 -5.07 118.95 120.34 1r3b s ARG 30 Ca 0.56 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 1r3b s ARG 30 Cb -0.38 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 31.99 1r3b s ARG 30 CO 0.40 0.50 0.00 0.41 -1.08 0.00 0.00 175.30 175.53 1r3b n GLY 31 N 1.43 -0.86 2.95 3.88 0.00 -1.26 -5.15 105.19 106.18 1r3b n GLY 31 Ca -0.17 0.73 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 1r3b n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r3b s SER 32 N 0.00 2.49 0.02 1.61 0.15 -1.26 -5.13 113.70 111.58 1r3b s SER 32 Ca 0.00 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.24 1r3b s SER 32 Cb 0.00 -0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 1r3b s SER 32 CO 0.00 -0.11 -0.01 0.00 1.20 0.00 0.00 173.24 174.32 1r3b s ALA 33 N 1.61 3.24 0.28 5.45 0.00 -1.26 -5.13 121.76 125.95 1r3b s ALA 33 Ca 0.04 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1r3b s ALA 33 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1r3b s ALA 33 CO -0.09 0.65 0.09 -0.08 0.00 0.00 0.00 175.76 176.33 1r3b s THR 34 N -1.12 0.72 0.07 0.00 -1.32 -1.26 -5.17 115.64 107.56 1r3b s THR 34 Ca 0.20 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.56 1r3b s THR 34 Cb -0.11 -2.68 0.02 0.00 -1.51 0.00 0.00 72.50 68.22 1r3b s THR 34 CO 0.11 0.00 0.29 -1.48 -2.21 0.00 0.00 174.62 171.33 1r3b s LEU 35 N -3.36 0.96 0.00 9.08 2.34 -1.26 -5.15 118.68 121.29 1r3b s LEU 35 Ca 0.37 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 54.22 1r3b s LEU 35 Cb 0.08 1.34 0.00 0.00 -0.56 0.00 0.00 46.19 47.05 1r3b s LEU 35 CO 0.14 -0.68 0.00 0.61 -1.06 0.00 0.00 176.35 175.36 1r3b n GLY 36 N 0.27 -0.82 1.42 -3.48 0.00 -1.26 -5.17 105.19 96.16 1r3b n GLY 36 Ca -0.17 0.21 0.17 0.00 0.00 0.00 0.00 46.02 46.23 1r3b n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3b n SER 37 N 0.00 -7.91 0.00 1.61 7.64 -1.26 -5.06 113.62 108.64 1r3b n SER 37 Ca 0.00 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1r3b n SER 37 Cb 0.00 -4.84 0.00 0.00 -1.01 0.00 0.00 64.21 58.36 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 -4.31 0.30 3.49 0.23 0.00 -1.26 -5.03 105.19 98.61 1r3b n GLY 38 Ca -0.08 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1r3b n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3b s ASN 39 N -4.00 6.18 0.37 1.61 2.20 -1.26 -4.85 114.94 115.19 1r3b s ASN 39 Ca 0.00 -0.80 0.20 0.00 -0.94 0.00 0.00 52.86 51.31 1r3b s ASN 39 Cb 0.00 -2.48 0.49 0.00 -2.00 0.00 0.00 41.25 37.26 1r3b s ASN 39 CO 0.00 -1.59 1.64 0.25 -2.94 0.00 0.00 177.10 174.45 1r3b h LEU 40 N 12.02 0.00 -0.40 3.54 6.46 -1.99 -3.25 115.31 131.69 1r3b h LEU 40 Ca -0.27 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1r3b h LEU 40 Cb 1.06 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.95 1r3b h LEU 40 CO 1.22 0.33 0.16 0.03 -0.62 0.00 0.00 178.44 179.56 1r3b h ARG 41 N 0.00 0.33 0.00 1.25 2.47 -2.00 -1.28 114.38 115.15 1r3b h ARG 41 Ca -0.00 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 1r3b h ARG 41 Cb 1.05 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.29 1r3b h ARG 41 CO 0.04 0.22 -0.32 1.96 0.56 0.00 0.00 179.97 182.43 1r3b h GLN 42 N 0.34 0.00 0.00 0.04 1.08 -1.85 -2.69 115.11 112.03 1r3b h GLN 42 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1r3b h GLN 42 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1r3b h GLN 42 CO -0.16 0.32 0.00 0.00 -0.95 0.00 0.00 178.83 178.04 1r3b n ALA 43 N -2.32 1.32 0.01 3.87 0.00 -0.49 -2.15 120.51 120.74 1r3b n ALA 43 Ca -0.01 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1r3b n ALA 43 Cb 0.44 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 1r3b n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3b h VAL 44 N 0.00 1.05 -3.62 0.00 2.07 -1.36 -3.47 116.25 110.91 1r3b h VAL 44 Ca 0.00 -2.85 -0.27 0.00 0.82 0.00 0.00 66.70 64.40 1r3b h VAL 44 Cb 0.16 2.55 -0.31 0.00 -1.52 0.00 0.00 31.29 32.17 1r3b h VAL 44 CO 0.00 0.65 -0.73 -0.32 0.02 0.00 0.00 177.57 177.19 1r3b s MET 45 N -2.62 0.02 0.23 1.57 0.00 -0.91 -4.85 119.30 112.73 1r3b s MET 45 Ca -0.05 0.08 -0.31 0.00 0.00 0.00 0.00 55.69 55.42 1r3b s MET 45 Cb 0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 34.83 34.61 1r3b s MET 45 CO 0.82 -0.08 1.21 1.28 0.00 0.00 0.00 175.02 178.26 1r3b n LEU 46 N 3.65 2.25 -4.68 4.11 4.77 -1.26 -4.75 117.00 121.09 1r3b n LEU 46 Ca -0.20 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.51 1r3b n LEU 46 Cb 0.55 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.29 1r3b n LEU 46 CO 0.24 -1.00 1.05 -2.16 -1.33 0.00 0.00 177.39 174.19 1r3b s PRO 47 N -0.78 4.29 0.00 3.23 0.04 -1.26 -4.42 135.00 136.10 1r3b s PRO 47 Ca 0.67 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1r3b s PRO 47 Cb -0.73 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1r3b s PRO 47 CO 0.54 -0.58 0.00 -1.91 0.04 0.00 0.00 177.00 175.09 1r3b n GLU 48 N 5.82 0.00 0.00 4.56 4.07 -1.26 -3.62 120.64 130.21 1r3b n GLU 48 Ca 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1r3b n GLU 48 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1r3b n GLY 49 N 0.00 -1.94 3.93 8.31 0.00 -1.26 -5.17 105.19 109.05 1r3b n GLY 49 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 46.02 46.68 1r3b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3b s GLU 50 N 0.00 3.07 0.47 1.61 2.02 -1.24 -5.03 118.70 119.60 1r3b s GLU 50 Ca 0.00 -0.16 -0.24 0.00 0.02 0.00 0.00 54.97 54.59 1r3b s GLU 50 Cb 0.00 -2.40 -0.08 0.00 0.10 0.00 0.00 34.13 31.75 1r3b s GLU 50 CO 0.00 -0.46 1.30 -0.25 0.02 0.00 0.00 175.26 175.87 1r3b n ASP 51 N -2.34 2.60 0.11 -0.19 9.92 -1.26 -4.90 116.55 120.48 1r3b n ASP 51 Ca 0.03 1.06 -0.13 0.00 -0.53 0.00 0.00 54.79 55.22 1r3b n ASP 51 Cb 0.57 -1.53 -0.08 0.00 -0.64 0.00 0.00 41.12 39.44 1r3b n ASP 51 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1r3b h LEU 52 N 1.86 -0.24 -1.75 0.64 5.85 -1.96 -2.36 115.31 117.35 1r3b h LEU 52 Ca -0.49 -0.24 0.36 0.00 0.84 0.00 0.00 57.88 58.34 1r3b h LEU 52 Cb 1.30 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 1r3b h LEU 52 CO 0.59 0.14 0.86 0.78 -0.34 0.00 0.00 178.44 180.47 1r3b h ASN 53 N -0.66 0.15 -0.02 1.25 2.35 -1.92 0.49 115.58 117.21 1r3b h ASN 53 Ca -0.03 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1r3b h ASN 53 Cb 0.47 0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.87 1r3b h ASN 53 CO 0.05 -0.00 -0.42 -0.08 -1.65 0.00 0.00 177.43 175.33 1r3b h GLU 54 N 0.11 0.32 -0.39 0.81 4.81 -1.82 -3.04 114.58 115.39 1r3b h GLU 54 Ca 0.64 -0.32 0.08 0.00 -0.13 0.00 0.00 59.36 59.63 1r3b h GLU 54 Cb 2.25 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 31.64 1r3b h GLU 54 CO -0.14 1.00 -0.07 2.35 -0.73 0.00 0.00 179.01 181.42 1r3b h TRP 55 N -0.24 -0.15 -0.18 0.92 -0.00 0.46 0.34 115.95 117.11 1r3b h TRP 55 Ca -0.05 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.92 1r3b h TRP 55 Cb 1.13 0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 30.37 1r3b h TRP 55 CO 0.15 -0.14 -0.11 0.82 -0.00 0.00 0.00 178.44 179.16 1r3b h ILE 56 N 0.03 0.66 -0.53 2.65 2.04 -1.29 0.19 117.51 121.27 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 0.29 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1r3b h ILE 56 CO -0.38 0.00 0.22 0.00 0.00 0.00 0.00 178.15 177.99 1r3b h ALA 57 N 1.03 1.40 -0.28 1.87 0.00 -1.23 0.11 119.26 122.17 1r3b h ALA 57 Ca 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1r3b h ALA 57 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1r3b h ALA 57 CO -0.24 0.46 0.03 0.28 0.00 0.00 0.00 179.25 179.78 1r3b h VAL 58 N 0.75 1.24 0.00 0.00 2.07 0.78 -3.04 116.25 118.04 1r3b h VAL 58 Ca 0.18 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 1r3b h VAL 58 Cb 0.13 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1r3b h VAL 58 CO -0.02 0.27 -0.45 0.78 0.02 0.00 0.00 177.57 178.17 1r3b h ASN 59 N 0.27 0.00 0.16 0.57 -0.26 -0.36 -3.09 115.58 112.87 1r3b h ASN 59 Ca 0.08 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1r3b h ASN 59 Cb 0.36 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 1r3b h ASN 59 CO 0.01 0.45 -0.11 0.74 -1.06 0.00 0.00 177.43 177.46 1r3b h THR 60 N 0.00 0.76 -0.34 2.81 2.02 -0.67 1.10 112.91 118.59 1r3b h THR 60 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1r3b h THR 60 Cb 1.11 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1r3b h THR 60 CO 0.06 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.52 1r3b h VAL 61 N -0.27 1.20 0.05 3.16 2.07 -1.60 0.66 116.25 121.51 1r3b h VAL 61 Ca -0.01 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1r3b h VAL 61 Cb 0.23 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1r3b h VAL 61 CO 0.01 0.28 -0.02 0.44 0.02 0.00 0.00 177.57 178.29 1r3b h ASP 62 N 0.51 -0.05 0.44 0.57 3.32 -1.34 -1.19 116.42 118.69 1r3b h ASP 62 Ca 0.11 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 1r3b h ASP 62 Cb 0.35 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1r3b h ASP 62 CO 0.01 0.44 -0.23 -0.26 -1.72 0.00 0.00 179.24 177.48 1r3b h PHE 63 N -0.56 -0.59 -0.20 4.55 -1.00 0.14 0.13 116.94 119.41 1r3b h PHE 63 Ca -0.01 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.79 1r3b h PHE 63 Cb 0.50 0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1r3b h PHE 63 CO 0.09 -0.36 0.14 0.35 -1.61 0.00 0.00 178.31 176.91 1r3b h PHE 64 N -0.62 0.14 0.13 -0.55 3.04 -0.96 -0.90 116.94 117.22 1r3b h PHE 64 Ca -0.06 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 1r3b h PHE 64 Cb 0.49 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1r3b h PHE 64 CO -0.06 0.08 -0.06 -0.97 -2.02 0.00 0.00 178.31 175.29 1r3b h ASN 65 N 0.15 -0.15 -0.04 0.41 -0.73 -0.62 -0.06 115.58 114.54 1r3b h ASN 65 Ca 0.08 -0.40 0.02 0.00 1.87 0.00 0.00 56.30 57.87 1r3b h ASN 65 Cb 0.15 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.75 1r3b h ASN 65 CO -0.01 0.39 -0.10 1.56 -0.37 0.00 0.00 177.43 178.90 1r3b h GLN 66 N -0.76 -0.15 -0.48 6.67 7.50 -0.43 0.83 115.11 128.29 1r3b h GLN 66 Ca -0.02 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1r3b h GLN 66 Cb 0.54 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.08 1r3b h GLN 66 CO 0.03 -0.10 0.30 0.97 -1.50 0.00 0.00 178.83 178.53 1r3b h ILE 67 N -0.15 1.14 -0.23 2.54 -0.00 -1.27 -1.61 117.51 117.93 1r3b h ILE 67 Ca 0.05 -0.29 -0.02 0.00 -0.00 0.00 0.00 64.86 64.60 1r3b h ILE 67 Cb 0.23 0.47 -0.01 0.00 -0.00 0.00 0.00 36.82 37.50 1r3b h ILE 67 CO -0.13 0.14 0.08 -1.13 -0.00 0.00 0.00 178.15 177.11 1r3b h ASN 68 N 0.65 0.33 -0.07 2.19 -1.24 -0.55 -2.47 115.58 114.41 1r3b h ASN 68 Ca 0.17 -0.18 0.02 0.00 0.71 0.00 0.00 56.30 57.02 1r3b h ASN 68 Cb -0.04 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 1r3b h ASN 68 CO -0.03 0.42 0.06 -0.03 -1.29 0.00 0.00 177.43 176.55 1r3b h MET 69 N 0.21 0.00 0.41 6.67 4.05 0.92 -0.07 114.93 127.12 1r3b h MET 69 Ca 0.08 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1r3b h MET 69 Cb 0.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1r3b h MET 69 CO -0.00 0.00 -0.20 -0.07 0.23 0.00 0.00 176.91 176.87 1r3b h LEU 70 N 0.00 -0.47 -1.56 3.39 3.38 -0.86 -2.39 115.31 116.81 1r3b h LEU 70 Ca 0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1r3b h LEU 70 Cb 0.15 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1r3b h LEU 70 CO -0.00 -0.04 0.23 0.22 0.09 0.00 0.00 178.44 178.93 1r3b h TYR 71 N -1.02 0.50 -0.56 1.13 5.03 -1.21 -2.15 116.97 118.70 1r3b h TYR 71 Ca -0.06 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.19 1r3b h TYR 71 Cb 0.54 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 1r3b h TYR 71 CO 0.02 0.34 0.08 0.78 -1.32 0.00 0.00 178.16 178.06 1r3b h GLY 72 N 0.58 0.98 2.00 1.82 0.00 -1.02 0.93 103.07 108.36 1r3b h GLY 72 Ca 0.14 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1r3b h GLY 72 CO -0.03 0.58 -0.01 0.00 0.00 0.00 0.00 176.54 177.08 1r3b h THR 73 N 0.86 0.02 -0.01 4.70 1.03 -0.85 -3.17 112.91 115.48 1r3b h THR 73 Ca 0.17 -0.81 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 1r3b h THR 73 Cb 0.40 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 1r3b h THR 73 CO 0.01 0.01 -0.12 0.00 -0.01 0.00 0.00 175.52 175.41 1r3b n ILE 74 N -3.10 0.00 0.07 0.00 0.00 -0.96 -4.55 119.36 110.82 1r3b n ILE 74 Ca 0.02 -0.44 0.08 0.00 0.00 0.00 0.00 62.75 62.41 1r3b n ILE 74 Cb 0.44 1.18 0.53 0.00 0.00 0.00 0.00 39.64 41.78 1r3b n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r3b h THR 75 N 1.68 1.01 0.00 9.51 1.03 0.92 -0.39 112.91 126.67 1r3b h THR 75 Ca 0.00 -0.11 -0.01 0.00 -0.01 0.00 0.00 66.41 66.28 1r3b h THR 75 Cb 0.42 0.68 -0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1r3b h THR 75 CO 0.00 0.06 -0.05 1.05 -0.01 0.00 0.00 175.52 176.57 1r3b h GLU 76 N 0.31 0.00 0.00 0.00 4.11 -1.80 -2.15 114.58 115.05 1r3b h GLU 76 Ca 0.13 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.29 1r3b h GLU 76 Cb 0.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1r3b h GLU 76 CO -0.03 0.05 -1.80 1.19 0.07 0.00 0.00 179.01 178.49 1r3b n PHE 77 N -3.96 0.73 -1.63 2.06 3.01 -0.24 -4.91 117.46 112.53 1r3b n PHE 77 Ca -0.03 0.26 -0.52 0.00 1.01 0.00 0.00 57.45 58.18 1r3b n PHE 77 Cb 0.14 -1.10 -0.06 0.00 -0.01 0.00 0.00 39.48 38.45 1r3b n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r3b n THR 79 N 5.57 0.00 -0.09 0.00 -1.04 -1.26 -5.00 114.28 112.46 1r3b n THR 79 Ca 0.29 -0.99 -0.16 0.00 -2.04 0.00 0.00 64.05 61.14 1r3b n THR 79 Cb 0.23 0.06 -0.10 0.00 -1.82 0.00 0.00 70.33 68.71 1r3b n THR 79 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1r3b h GLU 80 N 0.00 0.00 -0.17 -2.82 4.39 -1.92 -3.33 114.58 110.72 1r3b h GLU 80 Ca -0.17 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.58 1r3b h GLU 80 Cb 0.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1r3b h GLU 80 CO 0.28 0.78 0.13 0.77 -1.16 0.00 0.00 179.01 179.81 1r3b h SER 81 N -1.00 0.00 -0.90 1.42 0.02 -2.00 -0.77 113.55 110.31 1r3b h SER 81 Ca -0.20 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.21 1r3b h SER 81 Cb 1.03 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.30 1r3b h SER 81 CO -0.12 0.00 0.70 1.07 -1.14 0.00 0.00 176.83 177.34 1r3b n THR 82 N -4.39 3.24 -3.08 -2.27 5.66 -1.26 -4.72 114.28 107.47 1r3b n THR 82 Ca 0.01 -2.21 0.05 0.00 -3.05 0.00 0.00 64.05 58.85 1r3b n THR 82 Cb 0.26 -0.85 0.00 0.00 -1.55 0.00 0.00 70.33 68.19 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r3b n SER 84 N 4.82 7.36 -4.51 0.00 7.64 -1.26 -4.73 113.62 122.94 1r3b n SER 84 Ca 0.09 -3.66 -0.28 0.00 1.01 0.00 0.00 58.87 56.03 1r3b n SER 84 Cb 0.59 -1.18 0.25 0.00 -1.01 0.00 0.00 64.21 62.86 1r3b n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1r3b s VAL 85 N -4.19 2.02 -0.86 0.44 -7.23 -1.26 -4.91 120.40 104.41 1r3b s VAL 85 Ca 0.39 0.01 -0.22 0.00 -1.81 0.00 0.00 61.98 60.35 1r3b s VAL 85 Cb 0.19 -2.10 0.09 0.00 0.56 0.00 0.00 36.38 35.11 1r3b s VAL 85 CO -0.12 -0.01 1.18 0.00 -0.31 0.00 0.00 175.10 175.84 1r3b s MET 86 N -4.51 3.43 -0.13 4.82 0.23 -1.26 -4.95 119.30 116.93 1r3b s MET 86 Ca 0.68 -1.22 -0.06 0.00 -1.03 0.00 0.00 55.69 54.06 1r3b s MET 86 Cb -0.24 -4.77 0.05 0.00 -1.53 0.00 0.00 34.83 28.34 1r3b s MET 86 CO 0.64 -1.92 0.29 0.45 -2.03 0.00 0.00 175.02 172.45 1r3b s SER 87 N 3.98 -0.24 0.26 -1.18 0.15 -1.26 -4.82 113.70 110.58 1r3b s SER 87 Ca 0.33 0.64 0.03 0.00 0.70 0.00 0.00 55.95 57.65 1r3b s SER 87 Cb -0.07 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1r3b s SER 87 CO -0.02 -0.18 0.11 0.00 1.20 0.00 0.00 173.24 174.34 1r3b n ALA 88 N 4.43 0.39 -1.27 5.45 0.00 -1.25 -5.08 120.51 123.18 1r3b n ALA 88 Ca -0.22 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1r3b n ALA 88 Cb 0.53 0.92 0.00 0.00 0.00 0.00 0.00 19.45 20.90 1r3b n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3b n GLY 89 N 0.18 1.16 3.16 0.00 0.00 -1.26 -4.77 105.19 103.65 1r3b n GLY 89 Ca -0.02 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1r3b n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r3b n PRO 90 N 0.00 1.17 0.10 1.61 -0.04 -1.26 -3.61 135.00 132.97 1r3b n PRO 90 Ca 0.00 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1r3b n PRO 90 Cb 0.00 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1r3b n PRO 90 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r3b n ARG 91 N 7.09 0.00 -4.92 0.54 5.12 -1.26 -5.14 116.66 118.09 1r3b n ARG 91 Ca 0.48 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 56.14 1r3b n ARG 91 Cb 0.39 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.54 1r3b n ARG 91 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1r3b s TYR 92 N -1.43 1.71 -0.04 -1.55 1.51 -1.24 -5.13 117.35 111.18 1r3b s TYR 92 Ca 0.00 -0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 55.52 1r3b s TYR 92 Cb 0.00 -1.10 0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1r3b s TYR 92 CO 0.00 -0.04 0.46 -1.21 -1.11 0.00 0.00 175.55 173.65 1r3b s GLU 93 N -0.42 0.81 -0.15 -0.62 8.01 -1.26 -3.76 118.70 121.30 1r3b s GLU 93 Ca 0.07 0.05 0.00 0.00 0.01 0.00 0.00 54.97 55.09 1r3b s GLU 93 Cb -0.08 0.37 0.03 0.00 -4.31 0.00 0.00 34.13 30.14 1r3b s GLU 93 CO -0.01 -0.23 -0.11 0.71 0.01 0.00 0.00 175.26 175.63 1r3b s TYR 94 N -1.15 2.06 0.34 1.61 1.51 -1.26 -5.12 117.35 115.34 1r3b s TYR 94 Ca -0.12 -1.20 0.09 0.00 -1.01 0.00 0.00 57.07 54.83 1r3b s TYR 94 Cb -0.03 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.25 1r3b s TYR 94 CO 0.06 -0.65 0.00 -3.38 -1.11 0.00 0.00 175.55 170.47 1r3b s HIS 95 N 1.52 2.54 0.50 2.71 -3.43 -1.26 -4.86 115.29 113.01 1r3b s HIS 95 Ca 0.03 -0.44 -0.08 0.00 -0.80 0.00 0.00 55.06 53.77 1r3b s HIS 95 Cb -0.14 -1.47 0.12 0.00 -1.43 0.00 0.00 32.58 29.66 1r3b s HIS 95 CO -0.10 0.49 0.49 -2.67 -2.00 0.00 0.00 174.74 170.96 1r3b n TRP 96 N -0.94 -3.52 0.00 0.38 2.14 -1.26 -5.04 117.44 109.19 1r3b n TRP 96 Ca -0.04 -0.44 0.00 0.00 2.07 0.00 0.00 57.50 59.08 1r3b n TRP 96 Cb 0.62 -0.48 0.00 0.00 -0.81 0.00 0.00 31.31 30.65 1r3b n TRP 96 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1r3b n ALA 97 N -3.70 -0.01 -3.80 -1.67 0.00 -1.26 -5.01 120.51 105.05 1r3b n ALA 97 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1r3b n ALA 97 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1r3b n ALA 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r3b n ASP 98 N -1.01 2.35 0.00 0.00 5.75 -1.26 -5.07 116.55 117.31 1r3b n ASP 98 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1r3b n ASP 98 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1r3b n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r3b n GLY 99 N -0.07 0.00 5.00 6.12 0.00 -1.26 -4.84 105.19 110.14 1r3b n GLY 99 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 -3.64 2.61 -1.04 -1.26 -4.51 114.28 106.44 1r3b n THR 100 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1r3b n THR 100 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1r3b n THR 100 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1r3b s ASN 101 N 0.00 -0.81 -0.02 8.00 -0.87 -1.26 -5.09 114.94 114.89 1r3b s ASN 101 Ca 0.00 1.29 -0.01 0.00 -1.57 0.00 0.00 52.86 52.57 1r3b s ASN 101 Cb 0.00 1.37 -0.00 0.00 -0.02 0.00 0.00 41.25 42.60 1r3b s ASN 101 CO 0.00 -0.20 0.07 0.40 -2.57 0.00 0.00 177.10 174.79 1r3b h ILE 102 N 5.05 0.00 0.00 0.60 1.08 -2.00 -3.46 117.51 118.78 1r3b h ILE 102 Ca -0.29 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1r3b h ILE 102 Cb 1.21 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1r3b h ILE 102 CO 0.17 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.80 1r3b n LYS 103 N -2.67 0.00 -1.61 2.37 4.81 -1.26 -4.84 118.16 114.96 1r3b n LYS 103 Ca -0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1r3b n LYS 103 Cb 0.01 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.12 1r3b n LYS 103 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1r3b s LYS 104 N 0.00 2.54 0.83 1.64 -2.85 -1.26 -4.99 119.74 115.65 1r3b s LYS 104 Ca 0.00 1.48 -0.13 0.00 -1.00 0.00 0.00 55.97 56.32 1r3b s LYS 104 Cb 0.00 -1.91 0.09 0.00 -2.06 0.00 0.00 37.83 33.95 1r3b s LYS 104 CO 0.00 -1.47 1.15 -0.35 0.10 0.00 0.00 175.35 174.78 1r3b n PRO 105 N -2.61 0.08 -2.06 1.78 -0.04 -1.26 -4.87 135.00 126.03 1r3b n PRO 105 Ca 0.11 0.10 -0.39 0.00 -0.04 0.00 0.00 63.50 63.28 1r3b n PRO 105 Cb 0.52 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 1r3b n PRO 105 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1r3b s ILE 106 N -2.20 3.40 -0.22 0.52 1.01 -1.26 -4.93 121.20 117.52 1r3b s ILE 106 Ca 0.72 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 61.61 1r3b s ILE 106 Cb -0.28 -3.94 0.07 0.00 0.01 0.00 0.00 42.46 38.32 1r3b s ILE 106 CO 0.53 -0.87 0.04 -0.75 0.00 0.00 0.00 174.94 173.89 1r3b s LYS 107 N 6.78 0.71 -0.15 2.79 2.47 -1.26 -5.05 119.74 126.03 1r3b s LYS 107 Ca 0.68 -0.56 -0.00 0.00 -1.56 0.00 0.00 55.97 54.52 1r3b s LYS 107 Cb -0.14 -2.09 0.03 0.00 -1.46 0.00 0.00 37.83 34.17 1r3b s LYS 107 CO 0.22 -0.71 -0.08 0.00 0.16 0.00 0.00 175.35 174.95 1r3b n SER 109 N 4.86 1.54 0.47 0.00 7.64 -1.26 -4.85 113.62 122.02 1r3b n SER 109 Ca -0.13 -1.73 -0.18 0.00 1.01 0.00 0.00 58.87 57.83 1r3b n SER 109 Cb 0.49 -0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.56 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3b h ALA 110 N 0.65 -1.31 0.00 -0.43 0.00 -1.98 0.36 119.26 116.54 1r3b h ALA 110 Ca -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1r3b h ALA 110 Cb 0.51 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1r3b h ALA 110 CO 0.21 -1.23 -0.03 -1.00 0.00 0.00 0.00 179.25 177.19 1r3b h PRO 111 N -1.19 0.00 0.13 0.00 0.13 -2.00 -2.43 132.00 126.64 1r3b h PRO 111 Ca -0.12 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.72 1r3b h PRO 111 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1r3b h PRO 111 CO 0.20 0.03 -1.40 0.87 -0.23 0.00 0.00 178.00 177.47 1r3b h LYS 112 N 0.00 0.28 -0.60 0.86 6.56 -1.92 -3.28 116.57 118.47 1r3b h LYS 112 Ca -0.00 -0.48 0.08 0.00 -1.06 0.00 0.00 60.65 59.20 1r3b h LYS 112 Cb 0.07 0.18 -0.07 0.00 -0.57 0.00 0.00 32.23 31.84 1r3b h LYS 112 CO 0.00 1.18 0.25 -0.92 -2.06 0.00 0.00 179.45 177.91 1r3b h TYR 113 N 0.08 0.44 0.49 -1.35 3.20 0.23 0.79 116.97 120.85 1r3b h TYR 113 Ca -0.19 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.68 1r3b h TYR 113 Cb 2.01 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.17 1r3b h TYR 113 CO 0.07 0.14 -0.25 0.82 -1.64 0.00 0.00 178.16 177.30 1r3b h ILE 114 N 0.45 0.48 0.00 1.81 5.03 -1.66 -0.10 117.51 123.52 1r3b h ILE 114 Ca 0.30 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 65.03 1r3b h ILE 114 Cb 0.33 0.48 -0.00 0.00 -3.03 0.00 0.00 36.82 34.60 1r3b h ILE 114 CO -0.27 0.00 -0.02 -0.78 -0.68 0.00 0.00 178.15 176.40 1r3b h ASP 115 N -0.68 0.00 0.10 1.72 1.82 -1.49 -2.33 116.42 115.56 1r3b h ASP 115 Ca -0.06 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1r3b h ASP 115 Cb 0.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1r3b h ASP 115 CO 0.09 0.02 -0.05 1.88 -1.61 0.00 0.00 179.24 179.57 1r3b h TYR 116 N 0.00 -0.12 -0.75 0.28 -1.99 0.14 0.12 116.97 114.64 1r3b h TYR 116 Ca -0.00 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.77 1r3b h TYR 116 Cb 0.03 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 38.76 1r3b h TYR 116 CO 0.00 0.20 0.46 1.25 -0.00 0.00 0.00 178.16 180.07 1r3b h LEU 117 N -0.46 0.74 -0.07 3.88 5.85 -0.57 -0.05 115.31 124.63 1r3b h LEU 117 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1r3b h LEU 117 Cb 0.38 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1r3b h LEU 117 CO 0.02 0.50 0.00 0.00 -0.34 0.00 0.00 178.44 178.62 1r3b h MET 118 N 0.88 0.00 0.00 1.25 -0.00 -1.42 -3.16 114.93 112.48 1r3b h MET 118 Ca 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.99 1r3b h MET 118 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.68 1r3b h MET 118 CO -0.14 0.00 -0.28 1.15 -0.00 0.00 0.00 176.91 177.65 1r3b h THR 119 N 0.00 0.27 -0.52 -0.10 2.02 0.14 -3.11 112.91 111.60 1r3b h THR 119 Ca 0.00 -1.24 0.12 0.00 0.77 0.00 0.00 66.41 66.05 1r3b h THR 119 Cb 0.86 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1r3b h THR 119 CO 0.00 0.09 0.36 -0.25 0.37 0.00 0.00 175.52 176.09 1r3b h TRP 120 N -1.00 0.21 -0.27 3.16 7.01 -1.19 0.90 115.95 124.77 1r3b h TRP 120 Ca -0.03 0.01 -0.18 0.00 2.11 0.00 0.00 58.89 60.79 1r3b h TRP 120 Cb 0.39 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1r3b h TRP 120 CO -0.03 0.09 -0.55 -0.39 -2.79 0.00 0.00 178.44 174.77 1r3b h VAL 121 N 0.19 1.28 0.00 2.65 -1.51 -1.70 -3.05 116.25 114.11 1r3b h VAL 121 Ca 0.25 -1.74 0.00 0.00 -1.23 0.00 0.00 66.70 63.98 1r3b h VAL 121 Cb 0.72 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1r3b h VAL 121 CO -0.04 0.56 0.00 -0.61 -1.23 0.00 0.00 177.57 176.25 1r3b h GLN 122 N 0.62 0.00 -0.60 5.19 4.15 -1.03 -3.27 115.11 120.18 1r3b h GLN 122 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.53 1r3b h GLN 122 Cb 1.17 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 1r3b h GLN 122 CO 0.12 0.00 0.19 0.22 -1.93 0.00 0.00 178.83 177.43 1r3b h ASP 123 N 0.00 0.14 -0.02 -0.69 3.58 -0.78 0.91 116.42 119.56 1r3b h ASP 123 Ca 0.00 0.09 -0.24 0.00 0.42 0.00 0.00 57.03 57.30 1r3b h ASP 123 Cb 0.70 0.09 0.02 0.00 1.72 0.00 0.00 39.33 41.86 1r3b h ASP 123 CO 0.00 0.09 -0.93 0.06 -2.88 0.00 0.00 179.24 175.58 1r3b h GLN 124 N 0.35 0.67 0.00 0.28 3.07 -1.71 0.13 115.11 117.90 1r3b h GLN 124 Ca 0.30 -0.69 0.00 0.00 0.09 0.00 0.00 58.65 58.35 1r3b h GLN 124 Cb 0.40 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1r3b h GLN 124 CO -0.33 1.28 0.00 -0.07 0.09 0.00 0.00 178.83 179.80 1r3b h LEU 125 N 0.34 0.00 -1.33 0.06 3.38 -1.40 -0.18 115.31 116.18 1r3b h LEU 125 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1r3b h LEU 125 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1r3b h LEU 125 CO 0.18 0.00 -0.07 -0.67 0.09 0.00 0.00 178.44 177.98 1r3b n ASP 126 N -2.92 1.91 -3.82 -0.43 -0.08 0.31 -4.80 116.55 106.71 1r3b n ASP 126 Ca -0.02 -1.45 -0.30 0.00 -1.51 0.00 0.00 54.79 51.51 1r3b n ASP 126 Cb 0.13 0.12 -0.14 0.00 2.34 0.00 0.00 41.12 43.57 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1r3b s ASP 127 N -1.22 3.97 0.62 1.67 1.11 0.42 -4.94 116.67 118.30 1r3b s ASP 127 Ca 0.14 -2.74 0.40 0.00 0.18 0.00 0.00 52.55 50.53 1r3b s ASP 127 Cb 0.11 -1.30 2.00 0.00 1.07 0.00 0.00 42.92 44.80 1r3b s ASP 127 CO 0.20 -0.26 2.22 -0.08 1.18 0.00 0.00 175.17 178.43 1r3b h GLU 128 N 6.71 0.00 -0.57 8.23 4.81 -1.87 -2.77 114.58 129.11 1r3b h GLU 128 Ca -0.04 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.35 1r3b h GLU 128 Cb 0.92 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1r3b h GLU 128 CO 0.57 0.01 0.53 1.79 -0.73 0.00 0.00 179.01 181.17 1r3b h THR 129 N 0.00 0.42 -0.33 0.32 1.35 -1.92 0.48 112.91 113.22 1r3b h THR 129 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1r3b h THR 129 Cb 0.20 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1r3b h THR 129 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1r3b n LEU 130 N -3.87 3.37 -3.36 3.87 -0.00 -1.04 -4.73 117.00 111.24 1r3b n LEU 130 Ca 0.11 -2.38 -0.26 0.00 -0.00 0.00 0.00 56.01 53.48 1r3b n LEU 130 Cb 0.75 -0.36 -0.08 0.00 -0.00 0.00 0.00 43.42 43.73 1r3b n LEU 130 CO 0.31 0.72 0.03 0.49 -0.00 0.00 0.00 177.39 178.93 1r3b n PHE 131 N 0.20 3.08 -0.97 1.47 3.72 0.17 -4.89 117.46 120.23 1r3b n PHE 131 Ca 0.16 -4.06 0.00 0.00 -0.05 0.00 0.00 57.45 53.50 1r3b n PHE 131 Cb 0.62 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.86 0.32 -3.68 -1.08 -0.04 -1.26 -4.93 135.00 125.19 1r3b n PRO 132 Ca 0.29 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.37 1r3b n PRO 132 Cb 0.43 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.80 1r3b n PRO 132 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1r3b s SER 133 N -1.00 5.39 0.02 3.54 0.01 -1.26 -5.05 113.70 115.35 1r3b s SER 133 Ca 0.00 -2.81 0.06 0.00 1.31 0.00 0.00 55.95 54.51 1r3b s SER 133 Cb 0.00 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.32 1r3b s SER 133 CO 0.00 -0.40 -0.18 -0.75 0.41 0.00 0.00 173.24 172.33 1r3b s LYS 134 N -0.00 1.29 0.01 12.44 2.20 -1.26 -5.15 119.74 129.28 1r3b s LYS 134 Ca 0.17 -0.74 0.06 0.00 -0.36 0.00 0.00 55.97 55.10 1r3b s LYS 134 Cb -0.19 -1.31 -0.02 0.00 -1.51 0.00 0.00 37.83 34.80 1r3b s LYS 134 CO -0.04 0.35 -0.20 -1.50 -0.36 0.00 0.00 175.35 173.60 1r3b s ILE 135 N -0.61 1.55 0.00 5.43 -1.16 -1.26 -4.68 121.20 120.47 1r3b s ILE 135 Ca 0.06 -0.97 0.00 0.00 -0.51 0.00 0.00 60.65 59.23 1r3b s ILE 135 Cb -0.08 -1.32 0.00 0.00 0.61 0.00 0.00 42.46 41.68 1r3b s ILE 135 CO 0.00 0.33 0.00 0.61 -2.81 0.00 0.00 174.94 173.07 1r3b n GLY 136 N 2.29 2.77 3.38 1.50 0.00 -1.26 -4.98 105.19 108.89 1r3b n GLY 136 Ca -0.16 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1r3b n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r3b s VAL 137 N -0.11 2.06 0.58 1.61 -7.23 -1.26 -5.08 120.40 110.97 1r3b s VAL 137 Ca 0.00 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 57.93 1r3b s VAL 137 Cb 0.00 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1r3b s VAL 137 CO 0.00 -0.30 1.11 -2.16 -0.31 0.00 0.00 175.10 173.44 1r3b s PRO 138 N -2.96 3.22 0.80 4.82 0.04 -1.26 -4.87 135.00 134.79 1r3b s PRO 138 Ca 0.20 1.50 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 1r3b s PRO 138 Cb -0.06 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1r3b s PRO 138 CO 0.09 -0.93 0.16 1.19 0.04 0.00 0.00 177.00 177.55 1r3b n PHE 139 N -1.65 -2.07 -1.19 0.56 3.72 -1.26 -4.66 117.46 110.92 1r3b n PHE 139 Ca 0.11 0.26 -0.30 0.00 -0.05 0.00 0.00 57.45 57.47 1r3b n PHE 139 Cb 0.51 -1.76 -0.11 0.00 -0.94 0.00 0.00 39.48 37.18 1r3b n PHE 139 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1r3b n PRO 140 N -0.04 0.35 0.00 -1.08 -0.04 -1.26 -3.49 135.00 129.43 1r3b n PRO 140 Ca 0.07 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1r3b n PRO 140 Cb 0.52 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 1r3b n PRO 140 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r3b n LYS 141 N 8.00 0.00 -2.15 0.54 4.76 -1.26 -5.02 118.16 123.02 1r3b n LYS 141 Ca 0.44 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.87 1r3b n LYS 141 Cb 0.44 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.62 1r3b n LYS 141 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1r3b n ASN 142 N 0.00 -0.62 -0.18 4.39 5.03 -1.23 -5.02 115.26 117.64 1r3b n ASN 142 Ca 0.00 -1.35 -0.01 0.00 0.87 0.00 0.00 54.58 54.09 1r3b n ASN 142 Cb 0.00 0.55 0.09 0.00 -1.02 0.00 0.00 39.78 39.40 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1r3b h PHE 143 N 0.60 0.31 -0.08 3.10 3.57 -1.87 1.20 116.94 123.78 1r3b h PHE 143 Ca -0.34 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.13 1r3b h PHE 143 Cb 1.13 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1r3b h PHE 143 CO -0.12 0.06 -0.21 0.52 -2.23 0.00 0.00 178.31 176.34 1r3b h MET 144 N 0.34 0.27 -0.21 1.11 2.86 -1.92 -2.47 114.93 114.92 1r3b h MET 144 Ca 0.28 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1r3b h MET 144 Cb 0.35 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1r3b h MET 144 CO -0.31 0.81 0.09 1.03 1.06 0.00 0.00 176.91 179.59 1r3b h SER 145 N -0.21 0.28 -0.86 1.22 0.87 -1.87 -2.81 113.55 110.18 1r3b h SER 145 Ca -0.00 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1r3b h SER 145 Cb 0.82 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.66 1r3b h SER 145 CO 0.04 0.35 0.57 1.62 -0.53 0.00 0.00 176.83 178.88 1r3b h VAL 146 N 0.20 1.16 -0.44 2.23 3.04 0.14 -1.72 116.25 120.87 1r3b h VAL 146 Ca 0.07 -0.38 0.06 0.00 -1.01 0.00 0.00 66.70 65.45 1r3b h VAL 146 Cb 0.15 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.37 1r3b h VAL 146 CO -0.01 0.20 0.30 0.00 -1.01 0.00 0.00 177.57 177.05 1r3b h ALA 147 N 1.49 1.98 0.16 3.17 0.00 -1.18 0.11 119.26 124.99 1r3b h ALA 147 Ca 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1r3b h ALA 147 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1r3b h ALA 147 CO -0.09 -0.06 -0.08 0.87 0.00 0.00 0.00 179.25 179.89 1r3b h LYS 148 N 0.34 -0.21 -0.95 0.00 1.79 -1.23 -2.25 116.57 114.06 1r3b h LYS 148 Ca 0.19 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.75 1r3b h LYS 148 Cb 0.33 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.96 1r3b h LYS 148 CO -0.04 0.11 0.60 0.00 -1.08 0.00 0.00 179.45 179.03 1r3b h THR 149 N -0.98 1.03 -0.00 -0.16 1.03 -1.32 0.73 112.91 113.23 1r3b h THR 149 Ca -0.02 -0.36 -0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1r3b h THR 149 Cb 0.41 -0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 67.38 1r3b h THR 149 CO 0.04 0.19 0.00 -0.29 -0.01 0.00 0.00 175.52 175.45 1r3b h ILE 150 N 1.05 1.19 -0.41 0.00 2.10 -0.90 0.81 117.51 121.36 1r3b h ILE 150 Ca 0.43 -0.57 -0.10 0.00 1.08 0.00 0.00 64.86 65.69 1r3b h ILE 150 Cb 0.24 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.54 1r3b h ILE 150 CO -0.20 0.15 -0.15 -0.07 -1.08 0.00 0.00 178.15 176.80 1r3b h LEU 151 N -0.24 0.76 -0.19 2.19 4.07 -0.95 -0.88 115.31 120.08 1r3b h LEU 151 Ca 0.00 -0.24 -0.22 0.00 0.08 0.00 0.00 57.88 57.50 1r3b h LEU 151 Cb 0.24 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 41.79 1r3b h LEU 151 CO 0.00 0.92 -0.84 0.50 -1.08 0.00 0.00 178.44 177.95 1r3b h LYS 152 N 0.68 0.64 0.18 1.13 3.64 0.56 -2.33 116.57 121.07 1r3b h LYS 152 Ca 0.11 -0.57 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1r3b h LYS 152 Cb 0.64 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1r3b h LYS 152 CO 0.04 1.18 -0.09 0.00 -2.27 0.00 0.00 179.45 178.32 1r3b h ARG 153 N 0.41 -0.23 0.01 1.90 3.08 0.77 -1.94 114.38 118.37 1r3b h ARG 153 Ca -0.06 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1r3b h ARG 153 Cb 1.46 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.56 1r3b h ARG 153 CO 0.16 0.14 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.11 1r3b h LEU 154 N -0.66 -0.05 -1.89 3.04 3.38 -1.27 -1.88 115.31 115.97 1r3b h LEU 154 Ca -0.02 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1r3b h LEU 154 Cb 0.48 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1r3b h LEU 154 CO 0.04 -0.03 0.22 0.15 0.09 0.00 0.00 178.44 178.91 1r3b h PHE 155 N -0.04 0.13 0.19 1.13 3.57 -1.49 0.26 116.94 120.69 1r3b h PHE 155 Ca 0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1r3b h PHE 155 Cb 0.05 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1r3b h PHE 155 CO -0.09 0.07 -0.09 0.00 -2.23 0.00 0.00 178.31 175.96 1r3b h ARG 156 N 0.13 -0.25 -0.51 1.11 3.08 -0.59 -0.75 114.38 116.60 1r3b h ARG 156 Ca 0.14 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1r3b h ARG 156 Cb 0.41 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1r3b h ARG 156 CO -0.02 0.12 0.09 -0.24 -1.07 0.00 0.00 179.97 178.85 1r3b h VAL 157 N -0.68 1.23 -0.20 2.04 3.04 -0.96 -2.42 116.25 118.31 1r3b h VAL 157 Ca -0.03 -0.86 -0.11 0.00 -1.01 0.00 0.00 66.70 64.70 1r3b h VAL 157 Cb 0.48 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1r3b h VAL 157 CO 0.04 0.31 -0.34 0.22 -1.01 0.00 0.00 177.57 176.80 1r3b h TYR 158 N 0.76 0.47 -0.46 3.17 5.03 -0.96 -2.71 116.97 122.26 1r3b h TYR 158 Ca 0.16 -0.11 -0.08 0.00 2.58 0.00 0.00 58.73 61.27 1r3b h TYR 158 Cb 0.34 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 1r3b h TYR 158 CO 0.02 0.70 -0.04 0.00 -1.32 0.00 0.00 178.16 177.52 1r3b h ALA 159 N 1.29 0.63 0.37 1.82 0.00 -0.66 -2.18 119.26 120.53 1r3b h ALA 159 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1r3b h ALA 159 Cb 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1r3b h ALA 159 CO 0.06 0.46 -0.18 1.25 0.00 0.00 0.00 179.25 180.84 1r3b h HIS 160 N 0.68 -0.47 -0.76 0.00 -0.00 -1.36 -2.93 115.15 110.33 1r3b h HIS 160 Ca 0.13 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.59 1r3b h HIS 160 Cb 0.56 0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 28.07 1r3b h HIS 160 CO 0.04 -0.21 0.50 -0.84 -0.00 0.00 0.00 177.93 177.42 1r3b h ILE 161 N -0.64 0.91 0.56 6.26 3.07 -1.51 0.68 117.51 126.85 1r3b h ILE 161 Ca -0.05 -0.22 -0.02 0.00 1.55 0.00 0.00 64.86 66.12 1r3b h ILE 161 Cb 0.47 0.23 -0.01 0.00 -0.27 0.00 0.00 36.82 37.23 1r3b h ILE 161 CO 0.08 0.11 -0.43 0.22 -1.05 0.00 0.00 178.15 177.09 1r3b h TYR 162 N 0.63 -1.17 0.00 0.16 5.03 -1.21 0.51 116.97 120.92 1r3b h TYR 162 Ca 0.35 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1r3b h TYR 162 Cb 0.52 0.43 0.00 0.00 1.55 0.00 0.00 36.73 39.24 1r3b h TYR 162 CO -0.00 -0.62 0.00 1.12 -1.32 0.00 0.00 178.16 177.34 1r3b h HIS 163 N -0.97 0.00 0.00 -3.82 2.07 -1.33 -3.24 115.15 107.86 1r3b h HIS 163 Ca -0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 1r3b h HIS 163 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 1r3b h HIS 163 CO -0.17 0.00 -0.14 0.37 -3.07 0.00 0.00 177.93 174.92 1r3b h GLN 164 N 0.00 0.00 -2.65 5.12 5.75 -0.43 -3.41 115.11 119.49 1r3b h GLN 164 Ca 0.00 0.00 -0.76 0.00 -0.15 0.00 0.00 58.65 57.74 1r3b h GLN 164 Cb 0.66 0.00 -0.31 0.00 1.07 0.00 0.00 27.48 28.89 1r3b h GLN 164 CO 0.00 0.00 0.49 0.72 -2.65 0.00 0.00 178.83 177.39 1r3b n HIS 165 N -3.88 2.66 -0.03 3.99 -0.00 0.18 -4.81 115.22 113.32 1r3b n HIS 165 Ca -0.02 -2.94 -0.12 0.00 -0.00 0.00 0.00 57.72 54.64 1r3b n HIS 165 Cb 0.07 -1.07 -0.07 0.00 -0.00 0.00 0.00 29.99 28.92 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 4.90 0.21 -0.80 4.41 3.04 -1.72 -2.99 116.94 123.99 1r3b h PHE 166 Ca 0.24 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.15 1r3b h PHE 166 Cb 0.57 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.99 1r3b h PHE 166 CO 1.00 0.50 0.49 0.22 -2.02 0.00 0.00 178.31 178.49 1r3b h ASP 167 N -0.13 0.96 -0.65 0.41 1.82 -1.91 -2.13 116.42 114.79 1r3b h ASP 167 Ca 0.03 -0.06 0.11 0.00 -0.39 0.00 0.00 57.03 56.71 1r3b h ASP 167 Cb 0.43 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.16 1r3b h ASP 167 CO 0.01 0.73 0.43 0.00 -1.61 0.00 0.00 179.24 178.81 1r3b h ALA 168 N 1.26 2.02 -0.15 -0.78 0.00 -1.93 0.63 119.26 120.32 1r3b h ALA 168 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1r3b h ALA 168 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1r3b h ALA 168 CO -0.05 -0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.29 1r3b h VAL 169 N 0.43 1.26 0.00 0.00 2.07 -1.23 -2.79 116.25 115.99 1r3b h VAL 169 Ca 0.30 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1r3b h VAL 169 Cb 0.61 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1r3b h VAL 169 CO -0.09 0.26 -0.10 0.00 0.02 0.00 0.00 177.57 177.66 1r3b h MET 170 N -0.00 0.00 0.01 1.57 -0.00 -1.26 -3.13 114.93 112.11 1r3b h MET 170 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1r3b h MET 170 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 1r3b h MET 170 CO 0.01 0.10 -0.00 0.37 -0.00 0.00 0.00 176.91 177.39 1r3b h GLN 171 N 0.00 -0.01 -0.31 -0.10 5.75 -0.69 -3.10 115.11 116.65 1r3b h GLN 171 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1r3b h GLN 171 Cb 0.68 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1r3b h GLN 171 CO 0.01 0.36 0.13 1.37 -2.65 0.00 0.00 178.83 178.06 1r3b h LEU 172 N -0.38 0.38 0.00 -2.39 8.10 -1.50 -3.45 115.31 116.07 1r3b h LEU 172 Ca -0.00 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1r3b h LEU 172 Cb 0.38 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.50 1r3b h LEU 172 CO 0.00 0.35 0.00 1.67 -4.11 0.00 0.00 178.44 176.35 1r3b n GLN 173 N -4.42 0.00 -3.83 0.17 7.27 -1.18 -5.15 117.38 110.24 1r3b n GLN 173 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.05 1r3b n GLN 173 Cb 0.13 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.79 1r3b n GLN 173 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1r3b s GLU 174 N -1.07 1.37 0.20 3.69 2.12 -1.19 -4.85 118.70 118.97 1r3b s GLU 174 Ca 0.00 -0.85 0.11 0.00 0.36 0.00 0.00 54.97 54.59 1r3b s GLU 174 Cb 0.00 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 1r3b s GLU 174 CO 0.00 -0.64 1.38 1.49 -0.54 0.00 0.00 175.26 176.95 1r3b h GLU 175 N 2.00 0.00 -0.53 4.30 4.81 -1.86 -3.26 114.58 120.04 1r3b h GLU 175 Ca -0.27 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1r3b h GLU 175 Cb 1.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1r3b h GLU 175 CO 0.33 0.77 0.36 0.00 -0.73 0.00 0.00 179.01 179.73 1r3b h ALA 176 N 1.23 1.93 -0.99 2.92 0.00 -1.96 -1.66 119.26 120.73 1r3b h ALA 176 Ca -0.01 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1r3b h ALA 176 Cb 1.55 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.15 1r3b h ALA 176 CO 0.10 -0.03 0.62 0.45 0.00 0.00 0.00 179.25 180.39 1r3b h HIS 177 N 0.44 1.04 0.01 0.00 3.86 -1.93 0.70 115.15 119.28 1r3b h HIS 177 Ca 0.24 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1r3b h HIS 177 Cb 0.36 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1r3b h HIS 177 CO -0.00 0.32 -0.00 -0.07 0.86 0.00 0.00 177.93 179.04 1r3b h LEU 178 N 0.83 -0.01 -0.49 2.43 3.38 -1.53 -3.28 115.31 116.63 1r3b h LEU 178 Ca 0.53 -0.76 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1r3b h LEU 178 Cb 0.74 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1r3b h LEU 178 CO -0.31 0.86 0.23 -1.13 0.09 0.00 0.00 178.44 178.19 1r3b h ASN 179 N -0.98 0.32 -0.77 -0.43 -0.73 -1.10 -2.22 115.58 109.67 1r3b h ASN 179 Ca -0.00 0.03 0.15 0.00 1.87 0.00 0.00 56.30 58.35 1r3b h ASN 179 Cb 0.77 -0.02 -0.10 0.00 0.27 0.00 0.00 38.32 39.24 1r3b h ASN 179 CO 0.00 0.22 0.30 0.00 -0.37 0.00 0.00 177.43 177.58 1r3b h THR 180 N 0.46 0.63 -0.33 -3.57 1.03 0.26 0.14 112.91 111.53 1r3b h THR 180 Ca 0.22 -0.15 -0.07 0.00 -0.01 0.00 0.00 66.41 66.40 1r3b h THR 180 Cb 0.15 0.16 -0.02 0.00 -1.07 0.00 0.00 68.15 67.38 1r3b h THR 180 CO -0.17 0.08 -0.09 -1.28 -0.01 0.00 0.00 175.52 174.05 1r3b h SER 181 N 0.43 0.52 -0.54 0.00 0.87 -1.48 -2.55 113.55 110.80 1r3b h SER 181 Ca 0.43 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1r3b h SER 181 Cb 0.67 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1r3b h SER 181 CO -0.42 0.66 0.36 0.15 -0.53 0.00 0.00 176.83 177.05 1r3b h PHE 182 N 0.51 0.65 -0.97 2.24 3.04 -0.25 -1.76 116.94 120.40 1r3b h PHE 182 Ca 0.10 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.09 1r3b h PHE 182 Cb 0.47 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 38.70 1r3b h PHE 182 CO 0.02 0.40 0.64 -0.22 -2.02 0.00 0.00 178.31 177.13 1r3b h LYS 183 N 0.70 1.22 0.09 1.11 1.63 -1.00 -1.68 116.57 118.64 1r3b h LYS 183 Ca 0.21 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1r3b h LYS 183 Cb -0.02 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 31.34 1r3b h LYS 183 CO -0.05 0.81 -0.05 1.25 -3.45 0.00 0.00 179.45 177.96 1r3b h HIS 184 N 1.25 -0.12 -0.08 1.91 2.76 -1.39 0.84 115.15 120.33 1r3b h HIS 184 Ca 0.38 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.57 1r3b h HIS 184 Cb -0.04 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1r3b h HIS 184 CO -0.00 0.22 0.18 0.74 -1.30 0.00 0.00 177.93 177.77 1r3b h PHE 185 N -0.46 0.00 0.00 5.26 0.04 -1.20 -1.16 116.94 119.42 1r3b h PHE 185 Ca -0.01 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 1r3b h PHE 185 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 1r3b h PHE 185 CO 0.04 0.00 -1.25 -0.89 -0.60 0.00 0.00 178.31 175.61 1r3b n ILE 186 N -3.33 1.49 -0.34 -0.55 2.08 -0.66 -4.15 119.36 113.91 1r3b n ILE 186 Ca -0.01 0.02 0.17 0.00 0.56 0.00 0.00 62.75 63.50 1r3b n ILE 186 Cb 0.27 -2.22 0.40 0.00 -0.75 0.00 0.00 39.64 37.34 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1r3b h PHE 187 N -1.00 0.94 -0.26 1.39 -1.00 0.85 0.57 116.94 118.43 1r3b h PHE 187 Ca -0.20 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.59 1r3b h PHE 187 Cb 1.05 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 1r3b h PHE 187 CO -0.23 0.11 0.05 0.35 -1.61 0.00 0.00 178.31 176.98 1r3b h PHE 188 N 0.59 0.37 0.59 -0.55 3.57 -1.41 -2.40 116.94 117.69 1r3b h PHE 188 Ca 0.61 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 62.06 1r3b h PHE 188 Cb 1.20 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.83 1r3b h PHE 188 CO -0.00 0.34 -0.29 0.28 -2.23 0.00 0.00 178.31 176.41 1r3b h VAL 189 N 0.37 0.24 -0.42 1.41 2.07 -0.02 -2.82 116.25 117.07 1r3b h VAL 189 Ca 0.09 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.38 1r3b h VAL 189 Cb 0.17 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1r3b h VAL 189 CO -0.00 0.03 0.32 -0.61 0.02 0.00 0.00 177.57 177.34 1r3b h GLN 190 N -1.07 0.00 0.32 1.57 4.15 -1.36 2.64 115.11 121.36 1r3b h GLN 190 Ca -0.08 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1r3b h GLN 190 Cb 0.67 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1r3b h GLN 190 CO 0.13 0.00 -0.15 1.49 -1.93 0.00 0.00 178.83 178.37 1r3b h GLU 191 N 0.00 -0.41 0.00 1.69 4.57 -1.32 -3.34 114.58 115.77 1r3b h GLU 191 Ca 0.20 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1r3b h GLU 191 Cb 0.85 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 1r3b h GLU 191 CO -0.00 -0.09 -0.32 1.19 -1.18 0.00 0.00 179.01 178.61 1r3b n PHE 192 N -5.13 0.00 0.09 0.92 3.01 -1.03 -4.87 117.46 110.46 1r3b n PHE 192 Ca -0.09 -1.05 0.00 0.00 1.01 0.00 0.00 57.45 57.32 1r3b n PHE 192 Cb 0.27 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.02 -0.44 0.00 4.37 3.02 0.81 -5.01 115.26 116.99 1r3b n ASN 193 Ca 0.15 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1r3b n ASN 193 Cb 0.71 0.56 0.00 0.00 -0.61 0.00 0.00 39.78 40.44 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1r3b n LEU 194 N -3.05 0.00 -4.79 3.41 7.94 0.28 -4.89 117.00 115.91 1r3b n LEU 194 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 1r3b n LEU 194 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 1r3b n LEU 194 CO 0.00 0.00 0.70 -0.51 -1.11 0.00 0.00 177.39 176.47 1r3b s ILE 195 N -3.31 3.25 -0.15 1.96 1.10 -1.26 -4.86 121.20 117.93 1r3b s ILE 195 Ca 0.00 0.41 0.03 0.00 -0.51 0.00 0.00 60.65 60.57 1r3b s ILE 195 Cb 0.00 -3.07 0.10 0.00 0.15 0.00 0.00 42.46 39.64 1r3b s ILE 195 CO 0.00 -0.53 0.85 -0.90 -2.11 0.00 0.00 174.94 172.25 1r3b n ASP 196 N -3.46 -0.59 0.00 4.50 5.68 -1.26 -4.71 116.55 116.71 1r3b n ASP 196 Ca 0.07 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1r3b n ASP 196 Cb 0.55 0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.92 1r3b n ASP 196 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1r3b n ARG 197 N -0.42 0.00 0.10 0.11 1.74 -1.26 -4.83 116.66 112.10 1r3b n ARG 197 Ca -0.10 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 1r3b n ARG 197 Cb 0.61 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.99 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 -0.24 5.56 3.08 -1.97 0.58 114.38 121.07 1r3b h ARG 198 Ca 0.00 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1r3b h ARG 198 Cb 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1r3b h ARG 198 CO 0.00 0.03 0.05 0.93 -1.07 0.00 0.00 179.97 179.90 1r3b h GLU 199 N -0.93 0.40 -0.98 0.04 3.07 -1.95 -2.91 114.58 111.31 1r3b h GLU 199 Ca -0.03 -0.10 -0.42 0.00 -0.50 0.00 0.00 59.36 58.30 1r3b h GLU 199 Cb 0.49 -0.05 -0.25 0.00 -0.84 0.00 0.00 28.75 28.10 1r3b h GLU 199 CO 0.06 0.52 0.53 1.28 -1.40 0.00 0.00 179.01 180.00 1r3b n LEU 200 N -4.71 6.17 -0.01 1.33 4.77 -1.26 -4.62 117.00 118.68 1r3b n LEU 200 Ca -0.03 -3.28 -0.09 0.00 -0.03 0.00 0.00 56.01 52.58 1r3b n LEU 200 Cb 0.19 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 1r3b n LEU 200 CO 0.37 0.95 0.75 0.00 -1.33 0.00 0.00 177.39 178.12 1r3b h ALA 201 N 1.31 -0.09 -0.92 -1.18 0.00 -0.67 -3.38 119.26 114.34 1r3b h ALA 201 Ca 0.52 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 55.19 1r3b h ALA 201 Cb 2.57 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 20.68 1r3b h ALA 201 CO 0.93 -0.62 0.82 -1.25 0.00 0.00 0.00 179.25 179.12 1r3b s PRO 202 N -6.13 2.27 0.00 0.00 0.04 -1.26 -2.90 135.00 127.02 1r3b s PRO 202 Ca -0.14 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1r3b s PRO 202 Cb 0.11 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1r3b s PRO 202 CO 0.68 -3.49 0.00 1.47 0.04 0.00 0.00 177.00 175.70 1r3b n LEU 203 N 15.12 0.00 0.30 -3.56 -0.00 -1.26 -4.96 117.00 122.65 1r3b n LEU 203 Ca 0.37 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.55 1r3b n LEU 203 Cb 0.48 0.00 0.97 0.00 -0.00 0.00 0.00 43.42 44.87 1r3b n LEU 203 CO 0.62 0.00 1.11 -0.61 -0.00 0.00 0.00 177.39 178.51 1r3b h GLN 204 N 0.00 0.00 0.00 1.47 -0.00 -1.78 -1.70 115.11 113.11 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1r3b h GLN 204 CO 0.00 0.02 -0.00 0.93 0.00 0.00 0.00 178.83 179.78 1r3b h GLU 205 N 0.00 -0.01 0.00 1.69 4.39 -1.93 -2.73 114.58 115.99 1r3b h GLU 205 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1r3b h GLU 205 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1r3b h GLU 205 CO 0.00 0.79 -0.31 1.37 -1.16 0.00 0.00 179.01 179.70 1r3b h LEU 206 N -0.81 0.00 -0.51 1.33 8.10 -1.89 -2.20 115.31 119.32 1r3b h LEU 206 Ca -0.00 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.82 1r3b h LEU 206 Cb 0.79 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.01 1r3b h LEU 206 CO 0.00 0.31 -0.69 0.40 -4.11 0.00 0.00 178.44 174.36 1r3b h ILE 207 N 0.00 1.40 -0.10 0.15 2.04 -1.40 -2.71 117.51 116.89 1r3b h ILE 207 Ca -0.00 -2.13 -0.07 0.00 1.00 0.00 0.00 64.86 63.65 1r3b h ILE 207 Cb 0.57 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1r3b h ILE 207 CO 0.04 0.63 -0.22 -0.33 0.00 0.00 0.00 178.15 178.27 1r3b h GLU 208 N 0.20 0.33 -0.45 2.37 4.39 -1.13 -1.75 114.58 118.54 1r3b h GLU 208 Ca -0.02 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1r3b h GLU 208 Cb 1.23 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1r3b h GLU 208 CO 0.11 0.82 0.27 -0.22 -1.16 0.00 0.00 179.01 178.83 1r3b h LYS 209 N -0.11 0.61 -0.08 2.33 1.63 -1.45 -2.70 116.57 116.80 1r3b h LYS 209 Ca 0.00 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 1r3b h LYS 209 Cb 0.82 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1r3b h LYS 209 CO 0.05 0.43 -0.31 1.25 -3.45 0.00 0.00 179.45 177.42 1r3b h LEU 210 N 0.62 0.41 -0.52 5.20 5.85 -1.45 -3.50 115.31 121.91 1r3b h LEU 210 Ca 0.16 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1r3b h LEU 210 Cb -0.02 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1r3b h LEU 210 CO -0.03 0.97 0.00 0.61 -0.34 0.00 0.00 178.44 179.65 1r3b n GLY 211 N 0.66 -0.16 0.08 3.75 0.00 -0.66 -5.06 105.19 103.79 1r3b n GLY 211 Ca -0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1r3b n GLY 211 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r3b n SER 212 N 0.00 2.94 -4.89 1.61 2.88 -1.26 -5.01 113.62 109.90 1r3b n SER 212 Ca 0.00 -0.06 -0.34 0.00 -1.33 0.00 0.00 58.87 57.15 1r3b n SER 212 Cb 0.00 -0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.21 1r3b n SER 212 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1r3b s LYS 213 N -2.25 3.59 -0.09 -1.46 1.02 -1.26 -5.05 119.74 114.25 1r3b s LYS 213 Ca -0.17 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 1r3b s LYS 213 Cb 0.04 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1r3b s LYS 213 CO 0.28 0.61 1.52 0.34 -0.92 0.00 0.00 175.35 177.18 1r3b s ASP 214 N -1.90 6.76 0.00 2.83 2.15 -1.26 -5.22 116.67 120.03 1r3b s ASP 214 Ca 0.31 2.06 0.00 0.00 0.43 0.00 0.00 52.55 55.35 1r3b s ASP 214 Cb -0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1r3b s ASP 214 CO 0.19 -0.86 0.00 -1.14 -0.17 0.00 0.00 175.17 173.18