#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 -0.82 3.12 3.03 0.00 -1.26 -5.11 105.19 104.15 1r3b n GLY 15 Ca 0.00 -0.67 -0.26 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 2.09 -1.03 1.61 0.01 -1.26 -5.08 113.70 110.05 1r3b s SER 16 Ca 0.00 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.76 1r3b s SER 16 Cb 0.00 -0.58 0.16 0.00 0.21 0.00 0.00 66.02 65.80 1r3b s SER 16 CO 0.00 0.15 1.20 -0.94 0.41 0.00 0.00 173.24 174.06 1r3b s SER 17 N 0.05 6.82 -0.52 2.44 1.04 -1.26 -4.95 113.70 117.33 1r3b s SER 17 Ca -0.04 -2.48 -0.01 0.00 0.48 0.00 0.00 55.95 53.90 1r3b s SER 17 Cb -0.11 -2.38 0.14 0.00 0.10 0.00 0.00 66.02 63.76 1r3b s SER 17 CO 0.02 -0.89 0.30 -1.00 0.98 0.00 0.00 173.24 172.66 1r3b s HIS 18 N 1.95 3.45 -0.07 5.02 0.09 -1.26 -5.08 115.29 119.40 1r3b s HIS 18 Ca 0.35 -2.77 0.02 0.00 -0.00 0.00 0.00 55.06 52.66 1r3b s HIS 18 Cb -0.05 -3.10 -0.03 0.00 -0.00 0.00 0.00 32.58 29.41 1r3b s HIS 18 CO -0.06 -0.86 -0.11 -1.01 -0.00 0.00 0.00 174.74 172.69 1r3b s HIS 19 N 0.29 2.81 0.00 1.40 0.09 -1.26 -4.99 115.29 113.62 1r3b s HIS 19 Ca 0.14 -0.13 0.00 0.00 -0.00 0.00 0.00 55.06 55.07 1r3b s HIS 19 Cb -0.22 -1.69 0.00 0.00 -0.00 0.00 0.00 32.58 30.67 1r3b s HIS 19 CO -0.03 0.20 0.00 -2.39 -0.00 0.00 0.00 174.74 172.52 1r3b n HIS 20 N 2.41 0.00 -3.15 1.40 -0.00 -1.26 -5.07 115.22 109.55 1r3b n HIS 20 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.16 1r3b n HIS 20 Cb 0.52 0.27 -0.06 0.00 -0.00 0.00 0.00 29.99 30.72 1r3b n HIS 20 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1r3b s HIS 21 N -1.99 3.84 -0.18 -1.40 -0.00 -1.26 -5.07 115.29 109.23 1r3b s HIS 21 Ca 0.00 1.42 -0.11 0.00 -0.00 0.00 0.00 55.06 56.38 1r3b s HIS 21 Cb 0.00 -2.61 0.06 0.00 -0.00 0.00 0.00 32.58 30.03 1r3b s HIS 21 CO 0.00 0.54 0.43 -1.58 -0.00 0.00 0.00 174.74 174.14 1r3b s HIS 22 N -1.16 -0.61 -0.27 0.38 5.04 -1.26 -5.14 115.29 112.27 1r3b s HIS 22 Ca 0.33 1.32 -0.03 0.00 -1.54 0.00 0.00 55.06 55.14 1r3b s HIS 22 Cb -0.21 0.27 0.16 0.00 0.04 0.00 0.00 32.58 32.84 1r3b s HIS 22 CO 0.22 -0.33 0.51 -1.58 -2.34 0.00 0.00 174.74 171.22 1r3b s HIS 23 N 1.19 -1.24 -0.15 3.88 2.46 -1.26 -5.06 115.29 115.11 1r3b s HIS 23 Ca -0.08 1.43 -0.15 0.00 0.47 0.00 0.00 55.06 56.74 1r3b s HIS 23 Cb -0.07 0.37 -0.05 0.00 -0.13 0.00 0.00 32.58 32.70 1r3b s HIS 23 CO -0.11 -0.77 -0.29 0.43 -2.47 0.00 0.00 174.74 171.54 1r3b n SER 24 N 5.40 1.68 0.00 9.88 7.64 -1.26 -5.02 113.62 131.95 1r3b n SER 24 Ca -0.03 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1r3b n SER 24 Cb 0.50 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1r3b n SER 24 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1r3b n SER 25 N -4.23 0.00 0.00 6.43 2.88 -1.26 -5.08 113.62 112.36 1r3b n SER 25 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1r3b n SER 25 Cb 0.42 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1r3b n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r3b n GLY 26 N 0.36 0.56 3.91 0.46 0.00 -1.26 -5.16 105.19 104.07 1r3b n GLY 26 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1r3b n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3b s LEU 27 N 0.00 2.65 -0.61 0.99 1.43 -1.26 -5.03 118.68 116.85 1r3b s LEU 27 Ca 0.00 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 53.62 1r3b s LEU 27 Cb 0.00 -3.25 0.15 0.00 0.03 0.00 0.00 46.19 43.12 1r3b s LEU 27 CO 0.00 -1.75 0.58 0.68 0.23 0.00 0.00 176.35 176.09 1r3b s VAL 28 N -3.43 5.26 -0.23 -1.59 -7.23 -1.26 -4.84 120.40 107.07 1r3b s VAL 28 Ca 0.61 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 1r3b s VAL 28 Cb -0.11 -4.39 -0.03 0.00 0.56 0.00 0.00 36.38 32.41 1r3b s VAL 28 CO 0.47 -0.93 1.74 -2.16 -0.31 0.00 0.00 175.10 173.91 1r3b s PRO 29 N 1.39 3.64 0.53 4.82 0.04 -1.26 -4.76 135.00 139.40 1r3b s PRO 29 Ca 0.07 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1r3b s PRO 29 Cb -0.25 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1r3b s PRO 29 CO 0.00 -1.49 0.00 -2.13 0.04 0.00 0.00 177.00 173.43 1r3b n ARG 30 N 7.95 -3.12 0.00 4.56 3.00 -1.26 -4.95 116.66 122.85 1r3b n ARG 30 Ca 0.21 2.42 0.00 0.00 -0.00 0.00 0.00 57.85 60.48 1r3b n ARG 30 Cb 0.45 -3.69 0.00 0.00 0.00 0.00 0.00 32.46 29.22 1r3b n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1r3b n GLY 31 N -4.27 0.13 3.50 5.14 0.00 -1.26 -5.03 105.19 103.40 1r3b n GLY 31 Ca -0.06 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1r3b n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 32 N -1.17 0.35 0.30 1.61 1.04 -1.26 -4.85 113.70 109.71 1r3b s SER 32 Ca 0.00 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1r3b s SER 32 Cb 0.00 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 65.07 1r3b s SER 32 CO 0.00 -4.49 0.00 0.00 0.98 0.00 0.00 173.24 169.73 1r3b n ALA 33 N -5.02 -2.18 0.00 5.32 0.00 -1.26 -5.05 120.51 112.32 1r3b n ALA 33 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1r3b n ALA 33 Cb 0.59 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1r3b n ALA 33 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1r3b n THR 34 N 0.62 0.00 -1.23 0.00 5.66 -1.26 -5.07 114.28 113.00 1r3b n THR 34 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1r3b n THR 34 Cb 0.00 -0.07 -0.03 0.00 -1.55 0.00 0.00 70.33 68.67 1r3b n THR 34 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1r3b n LEU 35 N -2.04 -1.15 0.00 1.09 -0.00 -1.26 -5.05 117.00 108.59 1r3b n LEU 35 Ca 0.00 2.17 0.00 0.00 -0.00 0.00 0.00 56.01 58.18 1r3b n LEU 35 Cb 0.00 -2.39 0.00 0.00 -0.00 0.00 0.00 43.42 41.03 1r3b n LEU 35 CO 0.00 -1.09 0.00 0.61 -0.00 0.00 0.00 177.39 176.91 1r3b n GLY 36 N -3.00 0.00 3.95 -3.96 0.00 -1.26 -4.90 105.19 96.02 1r3b n GLY 36 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1r3b n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 37 N 0.00 4.15 0.00 1.61 0.01 -1.26 -4.89 113.70 113.32 1r3b s SER 37 Ca 0.00 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1r3b s SER 37 Cb 0.00 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.72 1r3b s SER 37 CO 0.00 -2.03 0.00 0.61 0.41 0.00 0.00 173.24 172.23 1r3b n GLY 38 N -3.15 -0.33 3.95 3.44 0.00 -1.26 -5.10 105.19 102.74 1r3b n GLY 38 Ca 0.12 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1r3b n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r3b s ASN 39 N -4.00 5.82 0.53 1.61 0.02 -1.26 -4.98 114.94 112.67 1r3b s ASN 39 Ca 0.00 0.37 0.28 0.00 -1.02 0.00 0.00 52.86 52.50 1r3b s ASN 39 Cb 0.00 -1.59 1.46 0.00 0.02 0.00 0.00 41.25 41.14 1r3b s ASN 39 CO 0.00 -0.74 2.07 0.25 0.02 0.00 0.00 177.10 178.69 1r3b h LEU 40 N 0.31 0.00 -0.84 0.60 5.85 -2.00 -2.77 115.31 116.47 1r3b h LEU 40 Ca -0.46 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.32 1r3b h LEU 40 Cb 1.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1r3b h LEU 40 CO 0.58 0.11 0.52 0.03 -0.34 0.00 0.00 178.44 179.34 1r3b h ARG 41 N 0.00 0.91 -0.25 1.25 2.47 -1.99 -1.04 114.38 115.73 1r3b h ARG 41 Ca -0.00 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 1r3b h ARG 41 Cb 0.36 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1r3b h ARG 41 CO 0.01 0.60 -0.18 1.96 0.56 0.00 0.00 179.97 182.92 1r3b h GLN 42 N 0.94 0.45 0.00 0.04 1.08 -1.77 -2.14 115.11 113.71 1r3b h GLN 42 Ca 0.37 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1r3b h GLN 42 Cb 0.19 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1r3b h GLN 42 CO -0.18 0.62 0.00 0.00 -0.95 0.00 0.00 178.83 178.32 1r3b n ALA 43 N -2.48 1.68 0.00 3.87 0.00 -0.44 -2.71 120.51 120.43 1r3b n ALA 43 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1r3b n ALA 43 Cb 0.35 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.28 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 1.02 -3.78 0.00 2.07 -0.90 -3.47 116.25 111.19 1r3b h VAL 44 Ca 0.00 -2.83 -0.33 0.00 0.82 0.00 0.00 66.70 64.36 1r3b h VAL 44 Cb 0.37 2.53 -0.30 0.00 -1.52 0.00 0.00 31.29 32.38 1r3b h VAL 44 CO 0.00 0.63 -0.75 0.00 0.02 0.00 0.00 177.57 177.47 1r3b s MET 45 N -2.62 0.43 -0.61 1.57 0.00 -1.10 -4.86 119.30 112.11 1r3b s MET 45 Ca -0.05 -0.13 -0.24 0.00 0.00 0.00 0.00 55.69 55.27 1r3b s MET 45 Cb 0.08 -0.45 -0.15 0.00 0.00 0.00 0.00 34.83 34.32 1r3b s MET 45 CO 0.82 0.05 1.80 1.28 0.00 0.00 0.00 175.02 178.96 1r3b n LEU 46 N 3.26 0.29 -4.58 0.18 7.99 -1.26 -4.70 117.00 118.18 1r3b n LEU 46 Ca -0.16 0.22 -0.42 0.00 -0.01 0.00 0.00 56.01 55.63 1r3b n LEU 46 Cb 0.56 -0.64 -0.05 0.00 -0.11 0.00 0.00 43.42 43.18 1r3b n LEU 46 CO 0.25 -0.52 0.63 -2.16 -1.51 0.00 0.00 177.39 174.08 1r3b s PRO 47 N 5.77 3.73 0.22 3.23 0.04 -1.26 -4.70 135.00 142.03 1r3b s PRO 47 Ca 0.93 0.32 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1r3b s PRO 47 Cb -0.93 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 29.78 1r3b s PRO 47 CO 0.38 -0.92 0.00 -1.91 0.04 0.00 0.00 177.00 174.59 1r3b n GLU 48 N 6.58 -4.90 -2.85 4.56 2.13 -1.26 -4.80 120.64 120.10 1r3b n GLU 48 Ca 0.04 3.53 -0.02 0.00 0.66 0.00 0.00 57.16 61.37 1r3b n GLU 48 Cb 0.48 -3.76 0.00 0.00 0.27 0.00 0.00 31.44 28.43 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r3b n GLY 49 N 1.42 -3.03 3.68 8.31 0.00 -1.26 -4.85 105.19 109.46 1r3b n GLY 49 Ca 0.00 0.52 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 1r3b n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r3b s GLU 50 N -1.69 4.21 -0.27 1.61 -1.05 -1.26 -4.96 118.70 115.29 1r3b s GLU 50 Ca 0.05 2.20 -0.01 0.00 -0.15 0.00 0.00 54.97 57.05 1r3b s GLU 50 Cb -0.01 -3.71 0.13 0.00 -0.44 0.00 0.00 34.13 30.10 1r3b s GLU 50 CO 0.65 -0.73 0.29 -0.51 0.95 0.00 0.00 175.26 175.91 1r3b s ASP 51 N 2.56 1.49 0.05 0.83 1.01 -1.26 -4.68 116.67 116.68 1r3b s ASP 51 Ca 0.71 -0.58 -0.17 0.00 0.71 0.00 0.00 52.55 53.22 1r3b s ASP 51 Cb -0.36 0.55 -0.07 0.00 1.01 0.00 0.00 42.92 44.05 1r3b s ASP 51 CO 0.30 -0.37 1.28 0.25 0.21 0.00 0.00 175.17 176.84 1r3b h LEU 52 N 8.26 -0.82 -1.50 1.23 7.12 -1.95 0.61 115.31 128.26 1r3b h LEU 52 Ca -0.14 0.09 0.33 0.00 0.13 0.00 0.00 57.88 58.29 1r3b h LEU 52 Cb 1.09 0.31 -0.09 0.00 -0.53 0.00 0.00 40.66 41.44 1r3b h LEU 52 CO 0.32 -0.27 0.77 0.78 -0.13 0.00 0.00 178.44 179.91 1r3b h ASN 53 N -0.36 0.30 -0.02 1.25 4.21 -2.00 0.29 115.58 119.26 1r3b h ASN 53 Ca 0.00 0.08 -0.08 0.00 1.21 0.00 0.00 56.30 57.51 1r3b h ASN 53 Cb 0.37 0.04 0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1r3b h ASN 53 CO -0.16 -0.00 -0.31 -0.08 -1.29 0.00 0.00 177.43 175.59 1r3b h GLU 54 N 0.23 0.24 -0.50 0.81 4.81 -1.71 -3.03 114.58 115.43 1r3b h GLU 54 Ca 0.66 -0.23 0.10 0.00 -0.13 0.00 0.00 59.36 59.75 1r3b h GLU 54 Cb 1.98 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 31.34 1r3b h GLU 54 CO -0.27 0.93 0.00 2.35 -0.73 0.00 0.00 179.01 181.29 1r3b h TRP 55 N -0.36 -0.03 -0.37 0.92 -0.00 0.37 0.92 115.95 117.40 1r3b h TRP 55 Ca -0.03 0.04 0.06 0.00 -0.00 0.00 0.00 58.89 58.95 1r3b h TRP 55 Cb 1.02 0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 30.22 1r3b h TRP 55 CO 0.16 -0.11 0.04 0.82 -0.00 0.00 0.00 178.44 179.35 1r3b h ILE 56 N 0.12 0.77 -0.27 2.65 1.08 -1.14 0.89 117.51 121.61 1r3b h ILE 56 Ca 0.25 -0.05 -0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1r3b h ILE 56 Cb 0.38 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1r3b h ILE 56 CO -0.41 0.03 -0.25 0.00 -0.69 0.00 0.00 178.15 176.82 1r3b h ALA 57 N 1.30 1.07 -0.29 1.87 0.00 -1.04 -2.03 119.26 120.13 1r3b h ALA 57 Ca 0.18 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1r3b h ALA 57 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1r3b h ALA 57 CO -0.26 0.57 -0.06 0.28 0.00 0.00 0.00 179.25 179.78 1r3b h VAL 58 N 0.45 1.28 0.00 0.00 2.07 0.19 -3.17 116.25 117.07 1r3b h VAL 58 Ca 0.07 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 1r3b h VAL 58 Cb 0.68 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1r3b h VAL 58 CO 0.05 0.34 -0.42 0.78 0.02 0.00 0.00 177.57 178.34 1r3b h ASN 59 N 0.33 0.00 0.48 0.57 2.35 -0.82 -3.04 115.58 115.44 1r3b h ASN 59 Ca 0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1r3b h ASN 59 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1r3b h ASN 59 CO 0.03 0.42 -0.23 0.74 -1.65 0.00 0.00 177.43 176.74 1r3b h THR 60 N 0.00 0.52 -0.46 2.81 2.02 -1.34 1.12 112.91 117.58 1r3b h THR 60 Ca -0.00 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1r3b h THR 60 Cb 1.09 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1r3b h THR 60 CO 0.06 0.02 0.07 0.58 0.37 0.00 0.00 175.52 176.62 1r3b h VAL 61 N -0.72 1.22 0.01 3.16 2.07 -1.65 0.32 116.25 120.65 1r3b h VAL 61 Ca -0.07 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1r3b h VAL 61 Cb 0.53 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1r3b h VAL 61 CO 0.11 0.30 -0.01 0.44 0.02 0.00 0.00 177.57 178.43 1r3b h ASP 62 N 0.69 -0.02 0.63 0.57 3.32 -1.39 -1.82 116.42 118.40 1r3b h ASP 62 Ca 0.15 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1r3b h ASP 62 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1r3b h ASP 62 CO 0.00 0.39 -0.35 -0.26 -1.72 0.00 0.00 179.24 177.30 1r3b h PHE 63 N -0.42 -0.93 -0.64 4.55 -1.00 0.15 -0.28 116.94 118.37 1r3b h PHE 63 Ca -0.00 -0.01 0.17 0.00 2.81 0.00 0.00 57.97 60.94 1r3b h PHE 63 Cb 0.41 0.32 -0.03 0.00 3.61 0.00 0.00 35.95 40.26 1r3b h PHE 63 CO 0.06 -0.55 0.45 0.35 -1.61 0.00 0.00 178.31 177.02 1r3b h PHE 64 N -0.92 0.10 0.13 -0.55 3.57 -1.01 0.61 116.94 118.87 1r3b h PHE 64 Ca -0.08 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1r3b h PHE 64 Cb 0.73 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1r3b h PHE 64 CO -0.07 0.03 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.07 1r3b h ASN 65 N 0.08 -0.15 -0.40 0.41 4.21 -0.60 0.64 115.58 119.77 1r3b h ASN 65 Ca 0.31 -0.40 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1r3b h ASN 65 Cb 1.11 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 38.33 1r3b h ASN 65 CO -0.03 0.39 0.26 1.56 -1.29 0.00 0.00 177.43 178.33 1r3b h GLN 66 N -0.76 0.53 -0.54 0.81 4.20 -0.32 0.23 115.11 119.26 1r3b h GLN 66 Ca -0.02 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1r3b h GLN 66 Cb 0.54 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1r3b h GLN 66 CO 0.03 0.36 -0.13 -0.84 -0.67 0.00 0.00 178.83 177.57 1r3b h ILE 67 N 0.54 1.27 -0.60 2.54 -0.00 -0.99 -2.67 117.51 117.59 1r3b h ILE 67 Ca 0.15 -1.30 -0.08 0.00 -0.00 0.00 0.00 64.86 63.63 1r3b h ILE 67 Cb -0.05 0.99 -0.02 0.00 -0.00 0.00 0.00 36.82 37.74 1r3b h ILE 67 CO -0.03 0.46 0.07 -1.13 -0.00 0.00 0.00 178.15 177.52 1r3b h ASN 68 N 0.91 0.98 -0.50 2.16 -0.73 -0.55 -2.74 115.58 115.10 1r3b h ASN 68 Ca 0.13 -0.27 0.02 0.00 1.87 0.00 0.00 56.30 58.05 1r3b h ASN 68 Cb 0.71 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.01 1r3b h ASN 68 CO 0.05 1.01 0.30 -0.03 -0.37 0.00 0.00 177.43 178.39 1r3b h MET 69 N 0.91 0.59 -0.05 6.67 4.05 -0.42 -1.58 114.93 125.09 1r3b h MET 69 Ca 0.18 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1r3b h MET 69 Cb 0.46 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1r3b h MET 69 CO 0.02 0.39 -0.01 -0.07 0.23 0.00 0.00 176.91 177.46 1r3b h LEU 70 N 0.60 -0.04 -2.10 3.39 -0.00 -1.34 -1.92 115.31 113.90 1r3b h LEU 70 Ca 0.20 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1r3b h LEU 70 Cb 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1r3b h LEU 70 CO -0.09 -0.01 -0.01 0.22 -0.00 0.00 0.00 178.44 178.55 1r3b h TYR 71 N 0.00 0.00 -0.60 1.13 3.20 -1.23 -2.10 116.97 117.37 1r3b h TYR 71 Ca 0.03 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1r3b h TYR 71 Cb 0.04 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1r3b h TYR 71 CO -0.11 0.01 0.11 0.78 -1.64 0.00 0.00 178.16 177.30 1r3b h GLY 72 N 0.03 1.04 2.00 1.82 0.00 -0.47 0.88 103.07 108.37 1r3b h GLY 72 Ca -0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.56 1r3b h GLY 72 CO 0.00 0.61 -0.51 0.00 0.00 0.00 0.00 176.54 176.64 1r3b h THR 73 N 0.92 0.97 -0.02 4.70 1.03 -1.21 -3.21 112.91 116.09 1r3b h THR 73 Ca 0.19 -2.11 0.00 0.00 -0.01 0.00 0.00 66.41 64.48 1r3b h THR 73 Cb 0.39 2.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.76 1r3b h THR 73 CO 0.01 0.50 -0.15 0.00 -0.01 0.00 0.00 175.52 175.87 1r3b n ILE 74 N -3.35 0.00 0.25 0.00 0.00 -1.04 -4.40 119.36 110.82 1r3b n ILE 74 Ca 0.01 -0.42 0.09 0.00 0.00 0.00 0.00 62.75 62.43 1r3b n ILE 74 Cb 0.68 1.35 0.66 0.00 0.00 0.00 0.00 39.64 42.33 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 3.30 0.96 -0.00 9.51 1.03 0.80 -0.84 112.91 127.67 1r3b h THR 75 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.25 1r3b h THR 75 Cb 0.78 0.98 -0.02 0.00 -1.07 0.00 0.00 68.15 68.82 1r3b h THR 75 CO 0.00 0.00 -0.72 1.05 -0.01 0.00 0.00 175.52 175.84 1r3b h GLU 76 N 0.00 0.01 -0.05 0.00 4.11 -1.78 -2.94 114.58 113.92 1r3b h GLU 76 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1r3b h GLU 76 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1r3b h GLU 76 CO -0.00 0.72 0.00 1.19 0.07 0.00 0.00 179.01 180.99 1r3b n PHE 77 N -3.69 0.06 -0.59 2.06 3.72 -0.35 -4.88 117.46 113.79 1r3b n PHE 77 Ca -0.01 -0.03 -0.06 0.00 -0.05 0.00 0.00 57.45 57.30 1r3b n PHE 77 Cb 0.70 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.39 0.07 -0.00 0.00 -1.32 -1.26 -5.07 115.64 106.67 1r3b s THR 79 Ca 0.14 -1.77 -0.25 0.00 -1.21 0.00 0.00 61.69 58.60 1r3b s THR 79 Cb -0.01 -2.09 -0.19 0.00 -1.51 0.00 0.00 72.50 68.70 1r3b s THR 79 CO 0.11 -0.31 1.33 -0.33 -2.21 0.00 0.00 174.62 173.20 1r3b h GLU 80 N 2.71 0.05 0.28 7.08 5.08 -2.00 -3.36 114.58 124.41 1r3b h GLU 80 Ca -0.34 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1r3b h GLU 80 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1r3b h GLU 80 CO 0.54 0.48 -0.13 0.77 -1.00 0.00 0.00 179.01 179.66 1r3b h SER 81 N -0.37 -0.32 0.00 1.42 0.02 -1.99 -3.11 113.55 109.20 1r3b h SER 81 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1r3b h SER 81 Cb 0.46 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1r3b h SER 81 CO 0.00 0.14 0.00 0.41 -1.14 0.00 0.00 176.83 176.24 1r3b n THR 82 N -5.03 0.00 -4.20 -2.27 -1.04 -1.26 -4.35 114.28 96.14 1r3b n THR 82 Ca -0.05 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 1r3b n THR 82 Cb 0.15 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.53 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r3b n SER 84 N 1.95 4.03 -3.73 0.00 7.64 -1.26 -4.81 113.62 117.44 1r3b n SER 84 Ca -0.19 -3.53 -0.29 0.00 1.01 0.00 0.00 58.87 55.87 1r3b n SER 84 Cb 0.55 -0.83 -0.16 0.00 -1.01 0.00 0.00 64.21 62.76 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 -3.23 0.65 0.19 0.44 -7.23 -1.26 -5.13 120.40 104.84 1r3b s VAL 85 Ca 0.54 -0.91 0.11 0.00 -1.81 0.00 0.00 61.98 59.91 1r3b s VAL 85 Cb 0.45 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1r3b s VAL 85 CO 0.09 -0.42 -0.24 -0.32 -0.31 0.00 0.00 175.10 173.91 1r3b s MET 86 N 1.77 1.50 -0.38 4.82 0.00 -1.26 -5.11 119.30 120.63 1r3b s MET 86 Ca 0.03 -1.52 -0.14 0.00 0.00 0.00 0.00 55.69 54.06 1r3b s MET 86 Cb -0.17 -1.81 0.01 0.00 0.00 0.00 0.00 34.83 32.86 1r3b s MET 86 CO -0.17 0.39 0.28 -1.12 0.00 0.00 0.00 175.02 174.40 1r3b s SER 87 N -2.68 6.08 -0.14 1.11 0.01 -1.26 -5.04 113.70 111.78 1r3b s SER 87 Ca 0.20 -0.73 -0.07 0.00 1.31 0.00 0.00 55.95 56.67 1r3b s SER 87 Cb -0.08 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 64.06 1r3b s SER 87 CO 0.10 -0.37 0.32 0.00 0.41 0.00 0.00 173.24 173.69 1r3b s ALA 88 N 1.69 -0.77 0.00 1.44 0.00 -1.22 -4.60 121.76 118.30 1r3b s ALA 88 Ca 0.05 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1r3b s ALA 88 Cb -0.18 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1r3b s ALA 88 CO 0.10 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1r3b n GLY 89 N 4.49 3.02 0.00 0.00 0.00 -1.26 -4.85 105.19 106.59 1r3b n GLY 89 Ca -0.21 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.76 0.18 -0.01 1.61 -0.04 -1.26 -3.85 135.00 129.88 1r3b n PRO 90 Ca 0.00 0.12 -0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1r3b n PRO 90 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1r3b n PRO 90 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1r3b h ARG 91 N 0.00 0.00 -4.46 0.54 2.43 -2.03 -3.47 114.38 107.38 1r3b h ARG 91 Ca 0.00 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.73 1r3b h ARG 91 Cb 0.24 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 29.47 1r3b h ARG 91 CO 0.00 0.00 -0.79 -0.47 -1.51 0.00 0.00 179.97 177.20 1r3b s TYR 92 N -1.18 1.01 0.18 2.20 6.14 -1.25 -5.14 117.35 119.31 1r3b s TYR 92 Ca -0.01 -0.29 -0.23 0.00 0.64 0.00 0.00 57.07 57.19 1r3b s TYR 92 Cb 0.00 -0.76 0.06 0.00 0.42 0.00 0.00 41.96 41.69 1r3b s TYR 92 CO 0.01 -0.16 0.62 -1.83 0.64 0.00 0.00 175.55 174.84 1r3b s GLU 93 N 0.44 1.35 -0.17 4.97 -1.05 -1.26 -3.43 118.70 119.55 1r3b s GLU 93 Ca -0.07 -0.55 -0.02 0.00 -0.15 0.00 0.00 54.97 54.18 1r3b s GLU 93 Cb -0.11 0.59 -0.01 0.00 -0.44 0.00 0.00 34.13 34.16 1r3b s GLU 93 CO 0.01 -0.60 -0.10 0.71 0.95 0.00 0.00 175.26 176.23 1r3b s TYR 94 N -3.77 2.87 -0.14 4.83 1.51 -1.26 -5.08 117.35 116.31 1r3b s TYR 94 Ca 0.03 -0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 54.92 1r3b s TYR 94 Cb -0.02 -1.96 0.11 0.00 -0.11 0.00 0.00 41.96 39.99 1r3b s TYR 94 CO -0.10 -0.41 0.92 -3.38 -1.11 0.00 0.00 175.55 171.47 1r3b s HIS 95 N 0.91 -0.45 -0.32 2.71 -3.43 -1.26 -5.09 115.29 108.35 1r3b s HIS 95 Ca -0.02 0.80 -0.02 0.00 -0.80 0.00 0.00 55.06 55.01 1r3b s HIS 95 Cb -0.15 0.43 0.11 0.00 -1.43 0.00 0.00 32.58 31.55 1r3b s HIS 95 CO -0.00 -0.40 0.15 1.67 -2.00 0.00 0.00 174.74 174.16 1r3b s TRP 96 N -1.03 0.75 0.30 0.38 1.48 -1.26 -5.12 118.94 114.44 1r3b s TRP 96 Ca -0.04 -1.32 -0.09 0.00 -1.06 0.00 0.00 56.10 53.60 1r3b s TRP 96 Cb -0.01 -1.09 0.03 0.00 -1.16 0.00 0.00 33.47 31.25 1r3b s TRP 96 CO 0.03 -0.83 0.56 0.00 -4.06 0.00 0.00 176.95 172.64 1r3b n ALA 97 N 4.74 -1.06 -3.77 2.67 0.00 -1.26 -5.02 120.51 116.81 1r3b n ALA 97 Ca 0.01 -1.10 -0.25 0.00 0.00 0.00 0.00 53.44 52.09 1r3b n ALA 97 Cb 0.40 0.88 -0.17 0.00 0.00 0.00 0.00 19.45 20.56 1r3b n ALA 97 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1r3b s ASP 98 N -2.68 2.24 0.00 0.00 1.47 -1.26 -4.80 116.67 111.64 1r3b s ASP 98 Ca 0.16 -0.44 0.00 0.00 1.18 0.00 0.00 52.55 53.45 1r3b s ASP 98 Cb -0.03 -0.55 0.00 0.00 -0.34 0.00 0.00 42.92 42.00 1r3b s ASP 98 CO 0.12 -0.24 0.00 0.61 0.68 0.00 0.00 175.17 176.34 1r3b n GLY 99 N 5.08 2.94 3.21 2.12 0.00 -1.26 -5.00 105.19 112.28 1r3b n GLY 99 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1r3b n GLY 99 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r3b n THR 100 N -0.12 0.00 -0.07 2.61 5.66 -1.26 -5.08 114.28 116.02 1r3b n THR 100 Ca 0.00 -2.19 -0.17 0.00 -3.05 0.00 0.00 64.05 58.64 1r3b n THR 100 Cb 0.00 0.61 -0.13 0.00 -1.55 0.00 0.00 70.33 69.25 1r3b n THR 100 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1r3b n ASN 101 N -1.42 1.67 -1.39 1.09 0.23 -1.26 -4.68 115.26 109.50 1r3b n ASN 101 Ca -0.13 0.06 -0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1r3b n ASN 101 Cb 0.58 -0.36 0.01 0.00 -2.08 0.00 0.00 39.78 37.93 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 -3.25 0.00 0.00 1.53 0.13 -1.26 -4.54 119.36 111.96 1r3b n ILE 102 Ca -0.36 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.20 1r3b n ILE 102 Cb 1.04 0.44 0.00 0.00 -0.84 0.00 0.00 39.64 40.28 1r3b n ILE 102 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1r3b n LYS 103 N -0.14 0.00 -3.76 9.51 4.81 -1.26 -4.59 118.16 122.73 1r3b n LYS 103 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.29 1r3b n LYS 103 Cb 0.49 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.42 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 0.26 0.11 1.64 -2.85 -1.26 -5.12 119.74 112.52 1r3b s LYS 104 Ca 0.00 0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 55.10 1r3b s LYS 104 Cb 0.00 0.03 -0.07 0.00 -2.06 0.00 0.00 37.83 35.73 1r3b s LYS 104 CO 0.00 -0.09 1.23 -1.25 0.10 0.00 0.00 175.35 175.34 1r3b s PRO 105 N 0.62 4.43 0.11 1.78 0.04 -1.26 -5.03 135.00 135.69 1r3b s PRO 105 Ca -0.04 1.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1r3b s PRO 105 Cb -0.05 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.22 1r3b s PRO 105 CO -0.04 -0.23 0.37 -1.50 0.04 0.00 0.00 177.00 175.64 1r3b s ILE 106 N 0.74 0.08 0.39 0.56 2.07 -1.26 -5.15 121.20 118.63 1r3b s ILE 106 Ca 0.58 -0.63 -0.26 0.00 -1.41 0.00 0.00 60.65 58.93 1r3b s ILE 106 Cb -0.32 -1.14 -0.09 0.00 0.13 0.00 0.00 42.46 41.04 1r3b s ILE 106 CO 0.31 -0.35 1.27 -0.75 -1.91 0.00 0.00 174.94 173.52 1r3b s LYS 107 N -3.56 4.04 -0.09 3.50 2.20 -1.26 -5.04 119.74 119.54 1r3b s LYS 107 Ca 0.02 2.09 -0.05 0.00 -0.36 0.00 0.00 55.97 57.67 1r3b s LYS 107 Cb 0.02 -2.79 0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1r3b s LYS 107 CO -0.10 -0.41 0.22 0.00 -0.36 0.00 0.00 175.35 174.70 1r3b n SER 109 N 4.08 0.52 0.42 0.00 3.41 -1.26 -4.79 113.62 115.99 1r3b n SER 109 Ca -0.24 -0.44 -0.16 0.00 -0.26 0.00 0.00 58.87 57.77 1r3b n SER 109 Cb 0.53 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.01 -1.24 -0.47 7.33 0.00 -1.73 0.91 119.26 124.06 1r3b h ALA 110 Ca 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.82 1r3b h ALA 110 Cb 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1r3b h ALA 110 CO 0.00 -1.16 0.34 -1.00 0.00 0.00 0.00 179.25 177.43 1r3b h PRO 111 N -1.09 0.00 0.10 0.00 0.13 -1.76 0.25 132.00 129.62 1r3b h PRO 111 Ca -0.11 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.85 1r3b h PRO 111 Cb 0.81 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.95 1r3b h PRO 111 CO 0.18 0.00 -0.82 0.87 -0.23 0.00 0.00 178.00 178.00 1r3b h LYS 112 N 0.00 0.21 -0.43 0.86 6.56 -1.90 -3.12 116.57 118.75 1r3b h LYS 112 Ca 0.23 -0.35 -0.01 0.00 -1.06 0.00 0.00 60.65 59.45 1r3b h LYS 112 Cb 0.90 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.67 1r3b h LYS 112 CO -0.00 1.17 0.21 -0.92 -2.06 0.00 0.00 179.45 177.84 1r3b h TYR 113 N -0.52 0.61 -0.83 -1.35 5.03 0.16 -2.70 116.97 117.36 1r3b h TYR 113 Ca -0.16 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.16 1r3b h TYR 113 Cb 1.52 -0.19 -0.05 0.00 1.55 0.00 0.00 36.73 39.56 1r3b h TYR 113 CO 0.19 0.50 0.53 0.97 -1.32 0.00 0.00 178.16 179.03 1r3b h ILE 114 N 0.55 1.11 -0.96 1.81 2.10 -0.68 -1.68 117.51 119.76 1r3b h ILE 114 Ca 0.15 -0.35 0.07 0.00 1.08 0.00 0.00 64.86 65.80 1r3b h ILE 114 Cb 0.11 0.00 -0.06 0.00 -1.09 0.00 0.00 36.82 35.78 1r3b h ILE 114 CO -0.02 0.19 0.62 -0.78 -1.08 0.00 0.00 178.15 177.08 1r3b h ASP 115 N 1.02 0.98 -0.52 2.19 1.82 -1.42 -0.85 116.42 119.64 1r3b h ASP 115 Ca 0.34 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.94 1r3b h ASP 115 Cb 0.04 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.82 1r3b h ASP 115 CO -0.13 0.63 0.17 1.88 -1.61 0.00 0.00 179.24 180.18 1r3b h TYR 116 N 1.11 0.88 -0.55 0.28 0.05 -1.03 0.19 116.97 117.90 1r3b h TYR 116 Ca 0.41 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 59.01 1r3b h TYR 116 Cb 0.18 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 1r3b h TYR 116 CO -0.00 0.72 -0.11 1.25 -1.05 0.00 0.00 178.16 178.97 1r3b h LEU 117 N 0.84 1.05 -0.51 3.88 5.85 -0.84 -2.61 115.31 122.97 1r3b h LEU 117 Ca 0.19 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1r3b h LEU 117 Cb 0.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1r3b h LEU 117 CO -0.01 1.15 -0.33 0.24 -0.34 0.00 0.00 178.44 179.15 1r3b h MET 118 N 0.93 0.00 0.48 1.25 2.86 -0.90 -3.22 114.93 116.32 1r3b h MET 118 Ca 0.14 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1r3b h MET 118 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1r3b h MET 118 CO 0.05 0.33 -0.23 1.15 1.06 0.00 0.00 176.91 179.27 1r3b h THR 119 N 0.00 0.44 -0.00 2.22 2.02 -0.31 -1.26 112.91 116.02 1r3b h THR 119 Ca -0.00 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1r3b h THR 119 Cb 1.06 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 1r3b h THR 119 CO 0.04 0.06 -0.47 -0.25 0.37 0.00 0.00 175.52 175.27 1r3b h TRP 120 N -0.91 -1.34 -0.82 3.16 -0.00 -1.55 0.90 115.95 115.39 1r3b h TRP 120 Ca -0.07 0.04 0.13 0.00 -0.00 0.00 0.00 58.89 59.00 1r3b h TRP 120 Cb 0.59 0.59 -0.09 0.00 -0.00 0.00 0.00 29.16 30.25 1r3b h TRP 120 CO 0.00 -0.53 0.42 -0.39 -0.00 0.00 0.00 178.44 177.94 1r3b h VAL 121 N -0.62 0.76 0.00 2.65 -1.51 -1.62 0.30 116.25 116.21 1r3b h VAL 121 Ca 0.03 -0.21 -0.09 0.00 -1.23 0.00 0.00 66.70 65.20 1r3b h VAL 121 Cb 0.69 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.91 1r3b h VAL 121 CO -0.34 0.11 -0.41 -0.61 -1.23 0.00 0.00 177.57 175.10 1r3b h GLN 122 N 0.62 0.00 -0.00 5.19 4.15 -0.27 -3.19 115.11 121.61 1r3b h GLN 122 Ca 0.44 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.71 1r3b h GLN 122 Cb 0.59 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1r3b h GLN 122 CO -0.34 0.41 -0.71 0.22 -1.93 0.00 0.00 178.83 176.48 1r3b h ASP 123 N 0.00 0.01 0.01 -0.69 1.82 0.29 -3.08 116.42 114.77 1r3b h ASP 123 Ca -0.00 -0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.47 1r3b h ASP 123 Cb 1.13 -0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.15 1r3b h ASP 123 CO 0.05 0.72 -0.63 0.06 -1.61 0.00 0.00 179.24 177.83 1r3b h GLN 124 N 0.00 0.41 0.00 0.28 3.07 -1.28 0.82 115.11 118.42 1r3b h GLN 124 Ca -0.01 -0.45 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1r3b h GLN 124 Cb 1.26 0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.95 1r3b h GLN 124 CO 0.09 1.12 0.00 -0.07 0.09 0.00 0.00 178.83 180.06 1r3b h LEU 125 N -0.10 0.00 -1.02 0.06 3.38 -1.62 0.40 115.31 116.41 1r3b h LEU 125 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1r3b h LEU 125 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1r3b h LEU 125 CO 0.12 0.00 -0.28 -0.67 0.09 0.00 0.00 178.44 177.70 1r3b n ASP 126 N -2.92 1.77 -3.82 -0.43 -0.08 -1.15 -4.77 116.55 105.15 1r3b n ASP 126 Ca -0.02 -1.39 -0.30 0.00 -1.51 0.00 0.00 54.79 51.58 1r3b n ASP 126 Cb 0.11 0.39 -0.14 0.00 2.34 0.00 0.00 41.12 43.83 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 -1.84 3.98 0.59 1.67 1.11 0.27 -4.94 116.67 117.50 1r3b s ASP 127 Ca 0.15 -2.75 0.38 0.00 0.18 0.00 0.00 52.55 50.50 1r3b s ASP 127 Cb 0.13 -1.31 2.07 0.00 1.07 0.00 0.00 42.92 44.89 1r3b s ASP 127 CO 0.38 -0.26 2.17 -0.08 1.18 0.00 0.00 175.17 178.56 1r3b h GLU 128 N 6.69 0.00 -0.19 8.23 4.81 -1.86 -2.38 114.58 129.88 1r3b h GLU 128 Ca -0.04 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1r3b h GLU 128 Cb 0.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1r3b h GLU 128 CO 0.57 0.00 0.37 1.79 -0.73 0.00 0.00 179.01 181.01 1r3b h THR 129 N 0.00 0.19 -0.01 0.32 1.35 -1.92 0.18 112.91 113.03 1r3b h THR 129 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1r3b h THR 129 Cb 0.09 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1r3b h THR 129 CO 0.00 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 174.99 1r3b n LEU 130 N -3.31 1.14 -4.56 3.87 -0.00 -0.89 -4.97 117.00 108.29 1r3b n LEU 130 Ca 0.02 -0.72 -0.34 0.00 -0.00 0.00 0.00 56.01 54.98 1r3b n LEU 130 Cb 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.78 1r3b n LEU 130 CO 0.20 0.23 -0.34 -0.36 -0.00 0.00 0.00 177.39 177.12 1r3b s PHE 131 N -1.56 3.05 0.84 1.47 0.08 0.65 -4.49 117.98 118.00 1r3b s PHE 131 Ca 0.08 -0.13 -0.14 0.00 0.12 0.00 0.00 56.93 56.87 1r3b s PHE 131 Cb 0.09 -1.89 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1r3b s PHE 131 CO 0.31 0.14 0.82 -0.35 -0.10 0.00 0.00 175.22 176.04 1r3b n PRO 132 N 3.02 0.03 -3.15 0.24 -0.04 -1.26 -4.83 135.00 129.01 1r3b n PRO 132 Ca -0.18 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1r3b n PRO 132 Cb 0.53 -2.13 -0.01 0.00 -0.04 0.00 0.00 33.50 31.85 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 -1.97 -0.20 0.24 3.54 0.01 -1.26 -5.10 113.70 108.96 1r3b s SER 133 Ca 0.66 0.10 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1r3b s SER 133 Cb -0.28 1.16 0.00 0.00 0.21 0.00 0.00 66.02 67.11 1r3b s SER 133 CO 0.58 -0.04 0.00 1.17 0.41 0.00 0.00 173.24 175.36 1r3b n LYS 134 N 5.38 -1.34 -1.69 12.44 4.81 -1.26 -4.80 118.16 131.70 1r3b n LYS 134 Ca -0.04 1.07 -0.43 0.00 -0.87 0.00 0.00 58.31 58.04 1r3b n LYS 134 Cb 0.55 -1.58 -0.01 0.00 0.02 0.00 0.00 35.03 34.01 1r3b n LYS 134 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1r3b n ILE 135 N -3.08 1.92 0.00 3.15 0.00 -1.26 -4.21 119.36 115.89 1r3b n ILE 135 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 62.75 62.24 1r3b n ILE 135 Cb 0.28 -1.54 0.00 0.00 0.00 0.00 0.00 39.64 38.38 1r3b n ILE 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r3b n GLY 136 N 0.90 1.49 3.78 4.50 0.00 -1.26 -5.10 105.19 109.50 1r3b n GLY 136 Ca 0.05 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 2.10 -0.10 1.61 0.11 -1.26 -4.95 120.40 117.91 1r3b s VAL 137 Ca 0.00 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 1r3b s VAL 137 Cb 0.00 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.77 1r3b s VAL 137 CO 0.00 0.02 1.12 -2.16 -3.33 0.00 0.00 175.10 170.75 1r3b s PRO 138 N -2.10 4.36 -0.13 1.54 0.04 -1.26 -4.82 135.00 132.63 1r3b s PRO 138 Ca 0.53 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 1r3b s PRO 138 Cb -0.46 -3.58 -0.25 0.00 0.04 0.00 0.00 34.50 30.25 1r3b s PRO 138 CO 0.62 -0.44 0.79 0.35 0.04 0.00 0.00 177.00 178.36 1r3b h PHE 139 N 7.38 -0.00 0.00 0.56 3.04 -1.96 -0.88 116.94 125.07 1r3b h PHE 139 Ca -0.31 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1r3b h PHE 139 Cb 1.14 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.65 1r3b h PHE 139 CO 0.73 0.94 0.00 -0.35 -2.02 0.00 0.00 178.31 177.62 1r3b n PRO 140 N -4.63 0.63 -0.04 6.41 -0.04 -1.26 -1.86 135.00 134.22 1r3b n PRO 140 Ca -0.10 0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.33 1r3b n PRO 140 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.08 0.17 -0.05 0.54 4.76 -1.25 -4.43 118.16 116.82 1r3b n LYS 141 Ca 0.16 0.05 -0.02 0.00 -2.87 0.00 0.00 58.31 55.63 1r3b n LYS 141 Cb 0.11 -1.03 -0.01 0.00 -1.84 0.00 0.00 35.03 32.26 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1r3b h ASN 142 N -0.07 0.00 -0.56 4.39 -1.24 -1.22 -3.25 115.58 113.63 1r3b h ASN 142 Ca -0.16 0.00 0.03 0.00 0.71 0.00 0.00 56.30 56.88 1r3b h ASN 142 Cb 1.22 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.24 1r3b h ASN 142 CO -0.05 0.50 0.37 0.15 -1.29 0.00 0.00 177.43 177.11 1r3b h PHE 143 N -0.77 0.63 -0.30 0.67 3.04 -1.42 -0.32 116.94 118.46 1r3b h PHE 143 Ca 0.00 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.92 1r3b h PHE 143 Cb 0.23 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1r3b h PHE 143 CO -0.10 0.37 -0.01 1.98 -2.02 0.00 0.00 178.31 178.53 1r3b h MET 144 N 0.66 0.47 0.23 1.11 4.05 -1.61 1.07 114.93 120.90 1r3b h MET 144 Ca 0.22 -0.10 -0.32 0.00 -0.28 0.00 0.00 59.70 59.22 1r3b h MET 144 Cb 0.07 -0.07 0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1r3b h MET 144 CO -0.06 0.51 -1.43 1.03 0.23 0.00 0.00 176.91 177.19 1r3b h SER 145 N 0.45 0.77 0.36 1.39 0.87 -1.27 -2.97 113.55 113.16 1r3b h SER 145 Ca 0.10 -0.82 -0.20 0.00 -1.23 0.00 0.00 61.79 59.63 1r3b h SER 145 Cb 0.31 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1r3b h SER 145 CO 0.01 1.64 -0.85 1.62 -0.53 0.00 0.00 176.83 178.72 1r3b h VAL 146 N 0.14 1.41 -0.17 2.23 3.04 -0.84 -3.10 116.25 118.97 1r3b h VAL 146 Ca -0.23 -2.37 -0.08 0.00 -1.01 0.00 0.00 66.70 63.01 1r3b h VAL 146 Cb 2.12 2.32 -0.01 0.00 -2.01 0.00 0.00 31.29 33.71 1r3b h VAL 146 CO 0.26 0.71 -0.25 0.00 -1.01 0.00 0.00 177.57 177.28 1r3b h ALA 147 N 0.86 1.27 -0.06 3.17 0.00 0.11 -2.41 119.26 122.19 1r3b h ALA 147 Ca -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1r3b h ALA 147 Cb 1.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1r3b h ALA 147 CO 0.14 0.49 -0.09 0.87 0.00 0.00 0.00 179.25 180.66 1r3b h LYS 148 N 0.27 0.17 -0.80 0.00 1.79 -1.50 0.20 116.57 116.71 1r3b h LYS 148 Ca 0.04 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1r3b h LYS 148 Cb 0.60 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.21 1r3b h LYS 148 CO 0.04 0.65 0.53 0.00 -1.08 0.00 0.00 179.45 179.59 1r3b h THR 149 N -0.29 1.20 0.05 -0.16 1.03 -1.48 -1.28 112.91 111.99 1r3b h THR 149 Ca 0.01 -0.37 -0.00 0.00 -0.01 0.00 0.00 66.41 66.03 1r3b h THR 149 Cb 0.63 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.74 1r3b h THR 149 CO 0.02 0.20 -0.03 -0.29 -0.01 0.00 0.00 175.52 175.41 1r3b h ILE 150 N 1.08 1.19 -1.00 0.00 2.10 -1.42 -2.31 117.51 117.15 1r3b h ILE 150 Ca 0.29 -1.61 0.20 0.00 1.08 0.00 0.00 64.86 64.83 1r3b h ILE 150 Cb -0.12 2.13 -0.11 0.00 -1.09 0.00 0.00 36.82 37.63 1r3b h ILE 150 CO -0.06 0.36 0.60 -0.07 -1.08 0.00 0.00 178.15 177.90 1r3b h LEU 151 N -0.89 0.76 -0.10 2.19 4.07 -0.50 0.98 115.31 121.83 1r3b h LEU 151 Ca -0.01 0.10 -0.24 0.00 0.08 0.00 0.00 57.88 57.82 1r3b h LEU 151 Cb 0.64 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.37 1r3b h LEU 151 CO 0.01 0.24 -0.86 0.50 -1.08 0.00 0.00 178.44 177.26 1r3b h LYS 152 N 0.73 0.76 -0.00 1.13 3.64 -1.32 -3.11 116.57 118.40 1r3b h LYS 152 Ca 0.59 -0.68 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 1r3b h LYS 152 Cb 0.95 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1r3b h LYS 152 CO -0.40 1.28 -0.76 0.00 -2.27 0.00 0.00 179.45 177.30 1r3b h ARG 153 N 0.48 0.01 0.04 1.90 3.08 -0.54 -2.01 114.38 117.33 1r3b h ARG 153 Ca -0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1r3b h ARG 153 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 1r3b h ARG 153 CO 0.17 0.76 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.75 1r3b h LEU 154 N 0.00 -0.04 -0.39 3.04 3.38 0.88 -3.02 115.31 119.17 1r3b h LEU 154 Ca -0.01 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 1r3b h LEU 154 Cb 1.34 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1r3b h LEU 154 CO 0.10 0.24 -0.75 0.15 0.09 0.00 0.00 178.44 178.28 1r3b h PHE 155 N -0.32 0.54 -0.33 1.13 3.57 -1.62 -3.12 116.94 116.79 1r3b h PHE 155 Ca -0.00 -0.25 0.07 0.00 3.53 0.00 0.00 57.97 61.32 1r3b h PHE 155 Cb 0.30 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 1r3b h PHE 155 CO 0.02 1.01 -0.25 0.00 -2.23 0.00 0.00 178.31 176.86 1r3b h ARG 156 N 0.27 -0.21 -0.43 1.11 2.47 -1.35 0.24 114.38 116.48 1r3b h ARG 156 Ca -0.03 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.61 1r3b h ARG 156 Cb 1.32 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.67 1r3b h ARG 156 CO 0.13 -0.14 -0.10 0.28 0.56 0.00 0.00 179.97 180.70 1r3b h VAL 157 N -0.21 1.25 0.40 2.04 2.07 -1.60 -1.55 116.25 118.65 1r3b h VAL 157 Ca 0.16 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1r3b h VAL 157 Cb 0.47 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1r3b h VAL 157 CO -0.45 0.39 -0.19 0.22 0.02 0.00 0.00 177.57 177.55 1r3b h TYR 158 N 0.68 -0.50 0.00 1.57 3.20 -1.19 -2.27 116.97 118.47 1r3b h TYR 158 Ca 0.12 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1r3b h TYR 158 Cb 0.56 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1r3b h TYR 158 CO 0.03 -0.23 -0.20 0.00 -1.64 0.00 0.00 178.16 176.12 1r3b h ALA 159 N -0.13 1.67 0.49 1.82 0.00 -0.57 -2.78 119.26 119.75 1r3b h ALA 159 Ca -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1r3b h ALA 159 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r3b h ALA 159 CO 0.09 0.25 -0.23 1.25 0.00 0.00 0.00 179.25 180.60 1r3b h HIS 160 N 0.00 -0.61 -0.73 0.00 -0.00 -1.10 -2.82 115.15 109.89 1r3b h HIS 160 Ca -0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.44 1r3b h HIS 160 Cb 0.35 0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 27.92 1r3b h HIS 160 CO 0.00 -0.30 0.48 -0.84 -0.00 0.00 0.00 177.93 177.27 1r3b h ILE 161 N -0.86 0.97 0.29 6.26 3.07 -1.33 0.11 117.51 126.02 1r3b h ILE 161 Ca -0.07 -0.24 -0.00 0.00 1.55 0.00 0.00 64.86 66.10 1r3b h ILE 161 Cb 0.59 0.22 -0.01 0.00 -0.27 0.00 0.00 36.82 37.34 1r3b h ILE 161 CO 0.11 0.13 -0.23 0.22 -1.05 0.00 0.00 178.15 177.33 1r3b h TYR 162 N 0.69 -0.61 0.00 0.16 5.03 -1.40 0.98 116.97 121.83 1r3b h TYR 162 Ca 0.33 -0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.52 1r3b h TYR 162 Cb 0.37 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.86 1r3b h TYR 162 CO -0.00 -0.35 -0.57 0.45 -1.32 0.00 0.00 178.16 176.37 1r3b h HIS 163 N -0.53 0.00 0.09 -3.82 3.86 -1.21 -2.41 115.15 111.13 1r3b h HIS 163 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1r3b h HIS 163 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1r3b h HIS 163 CO -0.13 0.57 -0.05 1.96 0.86 0.00 0.00 177.93 181.15 1r3b h GLN 164 N 0.00 -0.12 -2.33 2.45 7.50 -0.46 -3.40 115.11 118.75 1r3b h GLN 164 Ca -0.01 0.01 -0.65 0.00 0.50 0.00 0.00 58.65 58.50 1r3b h GLN 164 Cb 1.05 0.03 -0.38 0.00 0.05 0.00 0.00 27.48 28.22 1r3b h GLN 164 CO 0.07 -0.08 -0.24 0.72 -1.50 0.00 0.00 178.83 177.80 1r3b n HIS 165 N -4.01 3.50 -0.14 2.96 -0.00 0.34 -4.84 115.22 113.03 1r3b n HIS 165 Ca -0.02 -3.72 -0.11 0.00 -0.00 0.00 0.00 57.72 53.87 1r3b n HIS 165 Cb 0.05 -0.70 -0.01 0.00 -0.00 0.00 0.00 29.99 29.33 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 3.96 0.90 -0.79 4.41 3.04 -1.50 -3.00 116.94 123.97 1r3b h PHE 166 Ca 0.21 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1r3b h PHE 166 Cb 0.57 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.82 1r3b h PHE 166 CO 0.87 0.92 0.46 0.22 -2.02 0.00 0.00 178.31 178.75 1r3b h ASP 167 N 0.62 0.96 -0.54 0.41 1.82 -1.88 -1.94 116.42 115.87 1r3b h ASP 167 Ca 0.11 -0.06 0.12 0.00 -0.39 0.00 0.00 57.03 56.80 1r3b h ASP 167 Cb 0.63 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 1r3b h ASP 167 CO 0.04 0.75 0.37 0.00 -1.61 0.00 0.00 179.24 178.80 1r3b h ALA 168 N 1.41 2.23 0.07 -0.78 0.00 -1.92 0.44 119.26 120.71 1r3b h ALA 168 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1r3b h ALA 168 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1r3b h ALA 168 CO -0.05 -0.37 -0.03 0.28 0.00 0.00 0.00 179.25 179.08 1r3b h VAL 169 N 0.21 1.07 -0.14 0.00 2.07 -1.36 -2.75 116.25 115.34 1r3b h VAL 169 Ca 0.26 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 1r3b h VAL 169 Cb 0.74 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1r3b h VAL 169 CO -0.05 0.12 -0.63 0.24 0.02 0.00 0.00 177.57 177.28 1r3b h MET 170 N -0.31 0.51 -0.05 1.57 2.07 -1.36 -2.97 114.93 114.39 1r3b h MET 170 Ca -0.01 -0.36 0.01 0.00 -2.07 0.00 0.00 59.70 57.28 1r3b h MET 170 Cb 0.27 0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 30.05 1r3b h MET 170 CO 0.02 0.97 0.13 1.96 1.07 0.00 0.00 176.91 181.06 1r3b h GLN 171 N 0.37 0.00 -0.11 1.72 4.20 -0.10 0.12 115.11 121.31 1r3b h GLN 171 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1r3b h GLN 171 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1r3b h GLN 171 CO 0.11 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.55 1r3b n LEU 172 N -3.31 0.66 -2.67 1.46 4.77 -1.04 -4.87 117.00 111.99 1r3b n LEU 172 Ca -0.02 -0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 55.44 1r3b n LEU 172 Cb 0.21 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1r3b n LEU 172 CO 0.21 0.16 -0.01 0.00 -1.33 0.00 0.00 177.39 176.42 1r3b n GLN 173 N -0.18 -4.22 -3.09 3.23 1.13 0.43 -4.94 117.38 109.73 1r3b n GLN 173 Ca 0.06 0.82 0.05 0.00 -1.94 0.00 0.00 57.00 55.99 1r3b n GLN 173 Cb 0.12 -5.47 0.00 0.00 0.11 0.00 0.00 30.24 25.00 1r3b n GLN 173 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1r3b s GLU 174 N -5.53 0.10 -0.09 -1.09 2.56 -1.25 -5.04 118.70 108.36 1r3b s GLU 174 Ca 0.26 0.07 0.16 0.00 0.00 0.00 0.00 54.97 55.46 1r3b s GLU 174 Cb -0.11 0.04 -0.23 0.00 2.00 0.00 0.00 34.13 35.83 1r3b s GLU 174 CO 0.32 -0.18 0.44 -1.91 -0.56 0.00 0.00 175.26 173.37 1r3b n GLU 175 N 4.87 0.65 0.25 4.30 2.13 -1.26 -4.14 120.64 127.45 1r3b n GLU 175 Ca 0.09 0.14 0.17 0.00 0.66 0.00 0.00 57.16 58.22 1r3b n GLU 175 Cb 0.59 -1.67 0.88 0.00 0.27 0.00 0.00 31.44 31.51 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1r3b h ALA 176 N 1.12 1.65 -0.79 4.31 0.00 -1.96 -1.53 119.26 122.06 1r3b h ALA 176 Ca -0.36 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.63 1r3b h ALA 176 Cb 1.99 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1r3b h ALA 176 CO 0.05 -0.20 0.52 0.45 0.00 0.00 0.00 179.25 180.07 1r3b h HIS 177 N 0.00 0.83 0.03 0.00 3.86 -1.97 0.89 115.15 118.79 1r3b h HIS 177 Ca 0.05 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1r3b h HIS 177 Cb 0.33 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 28.54 1r3b h HIS 177 CO 0.00 0.41 -0.20 1.25 0.86 0.00 0.00 177.93 180.25 1r3b h LEU 178 N 0.80 0.12 -0.43 2.43 6.46 -1.55 -3.10 115.31 120.04 1r3b h LEU 178 Ca 0.35 -0.95 -0.01 0.00 -0.12 0.00 0.00 57.88 57.15 1r3b h LEU 178 Cb 0.33 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1r3b h LEU 178 CO -0.13 1.06 0.23 -1.13 -0.62 0.00 0.00 178.44 177.85 1r3b h ASN 179 N -0.79 0.55 -0.44 1.25 -0.73 -1.40 0.64 115.58 114.66 1r3b h ASN 179 Ca -0.03 -0.10 0.06 0.00 1.87 0.00 0.00 56.30 58.09 1r3b h ASN 179 Cb 1.12 -0.14 -0.05 0.00 0.27 0.00 0.00 38.32 39.52 1r3b h ASN 179 CO 0.04 0.49 0.15 0.00 -0.37 0.00 0.00 177.43 177.74 1r3b h THR 180 N 0.56 0.86 -0.04 -3.57 1.03 0.68 0.23 112.91 112.65 1r3b h THR 180 Ca 0.15 -0.11 -0.10 0.00 -0.01 0.00 0.00 66.41 66.34 1r3b h THR 180 Cb 0.07 0.51 -0.01 0.00 -1.07 0.00 0.00 68.15 67.65 1r3b h THR 180 CO -0.02 0.06 -0.46 0.28 -0.01 0.00 0.00 175.52 175.37 1r3b h SER 181 N 0.32 0.09 -0.57 0.00 0.02 -1.42 -2.95 113.55 109.04 1r3b h SER 181 Ca 0.20 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1r3b h SER 181 Cb 0.20 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1r3b h SER 181 CO -0.21 0.54 -0.00 0.15 -1.14 0.00 0.00 176.83 176.17 1r3b h PHE 182 N 0.07 1.11 -0.88 3.45 3.04 0.41 -2.80 116.94 121.34 1r3b h PHE 182 Ca 0.00 -0.19 0.13 0.00 3.98 0.00 0.00 57.97 61.90 1r3b h PHE 182 Cb 0.84 -0.29 -0.07 0.00 2.56 0.00 0.00 35.95 38.99 1r3b h PHE 182 CO 0.01 0.99 0.57 -0.22 -2.02 0.00 0.00 178.31 177.63 1r3b h LYS 183 N 0.94 0.71 -0.27 1.11 3.64 -0.82 -1.32 116.57 120.55 1r3b h LYS 183 Ca 0.17 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1r3b h LYS 183 Cb 0.55 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1r3b h LYS 183 CO 0.03 0.47 0.14 0.45 -2.27 0.00 0.00 179.45 178.27 1r3b h HIS 184 N 0.73 0.38 0.00 1.91 3.86 -1.55 0.80 115.15 121.27 1r3b h HIS 184 Ca 0.44 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1r3b h HIS 184 Cb 0.65 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 1r3b h HIS 184 CO -0.00 0.33 -0.00 0.74 0.86 0.00 0.00 177.93 179.86 1r3b h PHE 185 N 0.31 0.00 0.00 2.45 -1.00 -1.25 0.18 116.94 117.63 1r3b h PHE 185 Ca 0.09 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.75 1r3b h PHE 185 Cb 0.09 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1r3b h PHE 185 CO -0.03 0.00 -1.19 -0.89 -1.61 0.00 0.00 178.31 174.60 1r3b n ILE 186 N -3.21 1.49 -0.29 -0.55 -0.00 -0.68 -3.74 119.36 112.37 1r3b n ILE 186 Ca -0.03 0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 1r3b n ILE 186 Cb 0.09 -2.23 0.13 0.00 -0.00 0.00 0.00 39.64 37.64 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 0.92 0.45 1.39 3.57 0.65 0.44 116.94 123.36 1r3b h PHE 187 Ca -0.19 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 1r3b h PHE 187 Cb 1.02 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1r3b h PHE 187 CO -0.23 0.46 -0.22 0.35 -2.23 0.00 0.00 178.31 176.45 1r3b h PHE 188 N 0.91 -0.56 -0.59 0.41 3.57 -0.81 0.78 116.94 120.64 1r3b h PHE 188 Ca 0.36 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 1r3b h PHE 188 Cb 0.18 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1r3b h PHE 188 CO -0.04 -0.32 0.11 -0.39 -2.23 0.00 0.00 178.31 175.44 1r3b h VAL 189 N -0.66 1.25 -0.06 1.41 -1.51 -1.58 -2.77 116.25 112.33 1r3b h VAL 189 Ca -0.06 -0.93 -0.17 0.00 -1.23 0.00 0.00 66.70 64.30 1r3b h VAL 189 Cb 0.49 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1r3b h VAL 189 CO 0.10 0.35 -0.71 -0.61 -1.23 0.00 0.00 177.57 175.47 1r3b h GLN 190 N 0.90 0.29 -0.08 5.19 4.15 0.00 1.01 115.11 126.57 1r3b h GLN 190 Ca 0.19 -0.24 0.02 0.00 0.77 0.00 0.00 58.65 59.38 1r3b h GLN 190 Cb 0.37 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1r3b h GLN 190 CO 0.01 0.89 -0.01 0.93 -1.93 0.00 0.00 178.83 178.71 1r3b h GLU 191 N 0.20 0.01 0.00 1.69 4.39 0.86 -3.05 114.58 118.68 1r3b h GLU 191 Ca -0.02 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1r3b h GLU 191 Cb 1.27 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1r3b h GLU 191 CO 0.11 0.01 -1.19 1.19 -1.16 0.00 0.00 179.01 177.97 1r3b n PHE 192 N -5.13 0.09 -3.21 4.33 3.01 -1.10 -5.00 117.46 110.45 1r3b n PHE 192 Ca -0.05 0.03 -0.14 0.00 1.01 0.00 0.00 57.45 58.29 1r3b n PHE 192 Cb 0.07 -0.27 0.08 0.00 -0.01 0.00 0.00 39.48 39.35 1r3b n PHE 192 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1r3b n ASN 193 N -1.81 -2.26 0.04 4.37 5.15 0.34 -4.94 115.26 116.14 1r3b n ASN 193 Ca 0.02 -0.54 -0.16 0.00 -0.60 0.00 0.00 54.58 53.30 1r3b n ASN 193 Cb 0.42 -4.47 -0.14 0.00 -0.53 0.00 0.00 39.78 35.06 1r3b n ASN 193 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1r3b h LEU 194 N -1.59 0.31-10.41 1.20 7.12 -1.68 -3.47 115.31 106.80 1r3b h LEU 194 Ca -0.51 -0.51 -0.50 0.00 0.13 0.00 0.00 57.88 56.50 1r3b h LEU 194 Cb 1.29 -0.10 0.09 0.00 -0.53 0.00 0.00 40.66 41.41 1r3b h LEU 194 CO 0.43 1.44 0.38 0.27 -0.13 0.00 0.00 178.44 180.82 1r3b s ILE 195 N -2.60 3.63 0.00 4.05 -5.25 -1.26 -5.09 121.20 114.67 1r3b s ILE 195 Ca -0.11 0.53 0.00 0.00 -0.99 0.00 0.00 60.65 60.08 1r3b s ILE 195 Cb 0.07 -3.39 0.00 0.00 2.95 0.00 0.00 42.46 42.09 1r3b s ILE 195 CO 0.83 -0.69 0.00 -0.67 -1.79 0.00 0.00 174.94 172.62 1r3b n ASP 196 N -3.13 1.25 -0.00 4.36 2.03 -1.26 -5.01 116.55 114.78 1r3b n ASP 196 Ca 0.07 -0.59 -0.17 0.00 0.52 0.00 0.00 54.79 54.62 1r3b n ASP 196 Cb 0.56 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.85 1r3b n ASP 196 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1r3b h ARG 197 N 0.00 0.40 0.00 -0.67 2.47 -1.99 -3.24 114.38 111.34 1r3b h ARG 197 Ca 0.00 -0.41 -0.05 0.00 -1.26 0.00 0.00 59.98 58.26 1r3b h ARG 197 Cb 0.00 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1r3b h ARG 197 CO 0.00 1.07 -0.25 0.00 0.56 0.00 0.00 179.97 181.35 1r3b h ARG 198 N -0.12 0.00 -0.03 0.04 3.08 -2.01 -3.03 114.38 112.31 1r3b h ARG 198 Ca -0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1r3b h ARG 198 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1r3b h ARG 198 CO 0.11 0.25 -0.05 1.49 -1.07 0.00 0.00 179.97 180.69 1r3b h GLU 199 N 0.00 0.05 -0.93 0.04 4.57 -1.95 -1.64 114.58 114.72 1r3b h GLU 199 Ca -0.00 -0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 1r3b h GLU 199 Cb 0.80 -0.01 -0.21 0.00 -0.16 0.00 0.00 28.75 29.17 1r3b h GLU 199 CO 0.03 0.11 0.44 1.28 -1.18 0.00 0.00 179.01 179.69 1r3b n LEU 200 N -4.44 5.91 0.30 1.64 4.77 -1.14 -4.60 117.00 119.43 1r3b n LEU 200 Ca -0.02 -3.12 -0.17 0.00 -0.03 0.00 0.00 56.01 52.66 1r3b n LEU 200 Cb 0.15 -0.76 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 1r3b n LEU 200 CO 0.35 0.88 0.58 0.00 -1.33 0.00 0.00 177.39 177.87 1r3b h ALA 201 N 1.69 -0.98 0.00 -1.18 0.00 -1.44 -3.13 119.26 114.22 1r3b h ALA 201 Ca 0.42 -0.17 -0.54 0.00 0.00 0.00 0.00 54.91 54.62 1r3b h ALA 201 Cb 2.41 0.58 0.02 0.00 0.00 0.00 0.00 17.79 20.79 1r3b h ALA 201 CO 0.82 -1.08 3.10 -0.35 0.00 0.00 0.00 179.25 181.74 1r3b n PRO 202 N -5.53 3.08 0.00 0.00 -0.04 -1.26 -3.43 135.00 127.82 1r3b n PRO 202 Ca -0.12 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1r3b n PRO 202 Cb 0.42 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1r3b n PRO 202 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r3b n LEU 203 N 3.63 0.00 0.29 1.53 7.94 -1.18 -4.87 117.00 124.33 1r3b n LEU 203 Ca 0.66 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.72 1r3b n LEU 203 Cb 0.27 0.11 0.88 0.00 0.53 0.00 0.00 43.42 45.21 1r3b n LEU 203 CO 0.74 -0.18 1.06 -0.61 -1.11 0.00 0.00 177.39 177.29 1r3b h GLN 204 N 0.00 0.00 0.01 1.96 5.75 -1.63 -2.34 115.11 118.86 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1r3b h GLN 204 CO 0.00 0.05 -0.00 0.93 -2.65 0.00 0.00 178.83 177.16 1r3b h GLU 205 N 0.00 -0.01 -0.13 1.69 4.39 -1.90 -2.48 114.58 116.14 1r3b h GLU 205 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1r3b h GLU 205 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1r3b h GLU 205 CO 0.01 0.78 -0.09 1.37 -1.16 0.00 0.00 179.01 179.92 1r3b h LEU 206 N -0.81 0.18 -0.14 1.33 8.10 -1.85 0.06 115.31 122.18 1r3b h LEU 206 Ca -0.00 -0.03 -0.17 0.00 0.11 0.00 0.00 57.88 57.79 1r3b h LEU 206 Cb 0.79 -0.05 0.01 0.00 -0.44 0.00 0.00 40.66 40.97 1r3b h LEU 206 CO 0.00 0.30 -0.60 0.40 -4.11 0.00 0.00 178.44 174.44 1r3b h ILE 207 N 0.19 1.33 -0.18 0.15 2.04 -1.50 -2.66 117.51 116.88 1r3b h ILE 207 Ca 0.04 -1.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.00 1r3b h ILE 207 Cb 0.28 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1r3b h ILE 207 CO 0.01 0.57 -0.08 -0.33 0.00 0.00 0.00 178.15 178.33 1r3b h GLU 208 N 0.31 0.37 -0.13 2.37 5.08 -1.09 -1.97 114.58 119.52 1r3b h GLU 208 Ca -0.04 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1r3b h GLU 208 Cb 1.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1r3b h GLU 208 CO 0.12 0.67 0.09 0.87 -1.00 0.00 0.00 179.01 179.76 1r3b h LYS 209 N 0.05 0.12 0.02 2.33 1.57 -1.07 -1.88 116.57 117.72 1r3b h LYS 209 Ca 0.04 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.57 1r3b h LYS 209 Cb 0.55 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1r3b h LYS 209 CO 0.02 0.08 -1.02 1.25 -0.57 0.00 0.00 179.45 179.22 1r3b h LEU 210 N 0.13 0.66 0.00 2.94 7.12 -1.31 -3.49 115.31 121.35 1r3b h LEU 210 Ca 0.05 -0.54 0.00 0.00 0.13 0.00 0.00 57.88 57.52 1r3b h LEU 210 Cb 0.06 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 39.99 1r3b h LEU 210 CO -0.01 1.35 0.00 0.61 -0.13 0.00 0.00 178.44 180.26 1r3b n GLY 211 N 1.06 4.52 1.57 3.75 0.00 -0.71 -5.10 105.19 110.29 1r3b n GLY 211 Ca -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -4.26 1.61 2.88 -1.26 -4.58 113.62 108.01 1r3b n SER 212 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1r3b n SER 212 Cb 0.00 0.08 -0.12 0.00 -0.75 0.00 0.00 64.21 63.42 1r3b n SER 212 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1r3b s LYS 213 N -1.79 1.06 -0.09 -1.46 2.20 -1.26 -5.08 119.74 113.33 1r3b s LYS 213 Ca 0.00 -1.18 -0.10 0.00 -0.36 0.00 0.00 55.97 54.33 1r3b s LYS 213 Cb 0.00 -1.15 -0.03 0.00 -1.51 0.00 0.00 37.83 35.14 1r3b s LYS 213 CO 0.00 0.25 -0.19 -0.25 -0.36 0.00 0.00 175.35 174.80 1r3b n ASP 214 N 0.85 1.17 0.00 1.43 9.92 -1.26 -5.24 116.55 123.43 1r3b n ASP 214 Ca -0.18 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1r3b n ASP 214 Cb 0.55 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1r3b n ASP 214 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19