#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3b s VAL 17 N 0.00 4.58 -0.83 1.39 1.01 0.81 -4.00 120.40 123.36 1g3b s VAL 17 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1g3b s VAL 17 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1g3b s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1g3b n GLY 18 N 3.40 0.73 0.00 4.51 0.00 -1.24 -1.62 105.19 110.97 1g3b n GLY 18 Ca -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1g3b n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g3b n GLY 19 N -1.69 1.96 3.14 -0.02 0.00 -1.26 -4.86 105.19 102.46 1g3b n GLY 19 Ca -0.09 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 1g3b n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1g3b s TYR 20 N 2.13 0.79 -0.12 1.61 1.13 0.23 -4.92 117.35 118.20 1g3b s TYR 20 Ca 0.00 -1.13 -0.29 0.00 -1.41 0.00 0.00 57.07 54.24 1g3b s TYR 20 Cb 0.00 -0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 40.35 1g3b s TYR 20 CO 0.00 -0.40 1.47 0.99 -2.51 0.00 0.00 175.55 175.10 1g3b s THR 21 N -3.92 3.91 0.15 -3.49 2.01 -1.26 0.56 115.64 113.61 1g3b s THR 21 Ca 0.17 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 63.11 1g3b s THR 21 Cb 0.07 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1g3b s THR 21 CO -0.03 -0.11 1.77 0.00 -0.69 0.00 0.00 174.62 175.57 1g3b n GLY 23 N -1.21 3.14 3.68 0.00 0.00 -1.26 -4.82 105.19 104.71 1g3b n GLY 23 Ca 0.01 -1.54 -0.53 0.00 0.00 0.00 0.00 46.02 43.96 1g3b n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3b n ALA 24 N 0.57 0.10 -2.47 4.61 0.00 -1.26 -2.41 120.51 119.65 1g3b n ALA 24 Ca 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.66 1g3b n ALA 24 Cb 0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.16 1g3b n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g3b n ASN 25 N 4.98 -5.04 -0.09 0.00 3.02 -1.26 -4.86 115.26 112.02 1g3b n ASN 25 Ca 0.23 0.05 0.13 0.00 -0.03 0.00 0.00 54.58 54.96 1g3b n ASN 25 Cb 0.20 -4.21 0.40 0.00 -0.61 0.00 0.00 39.78 35.56 1g3b n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1g3b n THR 26 N -3.77 0.00 -3.38 3.41 -2.24 -1.01 -4.08 114.28 103.20 1g3b n THR 26 Ca -0.19 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 1g3b n THR 26 Cb 0.65 0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 1g3b n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1g3b n VAL 27 N -1.16 0.84 0.23 2.28 0.31 -1.26 -4.98 118.33 114.58 1g3b n VAL 27 Ca 0.09 -4.58 0.18 0.00 -0.01 0.00 0.00 64.34 60.02 1g3b n VAL 27 Cb 0.33 -2.02 0.84 0.00 -0.91 0.00 0.00 33.84 32.08 1g3b n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1g3b h PRO 28 N 4.36 0.00 -0.01 5.55 0.13 -1.77 -2.14 132.00 138.13 1g3b h PRO 28 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1g3b h PRO 28 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1g3b h PRO 28 CO 0.64 0.00 -0.34 2.48 -0.23 0.00 0.00 178.00 180.56 1g3b n TYR 29 N -3.41 0.00 -2.42 1.56 0.18 -1.13 -2.47 117.16 109.46 1g3b n TYR 29 Ca 0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.38 1g3b n TYR 29 Cb 0.40 -0.14 -0.03 0.00 -0.38 0.00 0.00 39.34 39.18 1g3b n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1g3b s GLN 30 N -2.62 4.46 0.19 -3.48 2.00 -0.81 -1.12 119.66 118.29 1g3b s GLN 30 Ca 0.21 1.78 0.08 0.00 -2.00 0.00 0.00 55.36 55.44 1g3b s GLN 30 Cb 0.19 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.64 1g3b s GLN 30 CO 0.57 -0.18 -0.17 0.14 -0.50 0.00 0.00 175.29 175.15 1g3b s VAL 31 N 0.69 1.84 -0.14 1.34 -7.23 -0.52 -4.43 120.40 111.95 1g3b s VAL 31 Ca 0.56 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1g3b s VAL 31 Cb -0.30 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.67 1g3b s VAL 31 CO 0.31 -0.44 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.95 1g3b s SER 32 N -3.01 3.69 -0.16 4.85 0.15 -0.61 -2.01 113.70 116.60 1g3b s SER 32 Ca 0.20 -0.43 -0.19 0.00 0.70 0.00 0.00 55.95 56.22 1g3b s SER 32 Cb -0.04 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.69 1g3b s SER 32 CO 0.07 0.13 0.55 -0.76 1.20 0.00 0.00 173.24 174.43 1g3b s LEU 33 N 0.56 4.20 -0.03 3.45 1.43 0.27 -0.98 118.68 127.59 1g3b s LEU 33 Ca -0.10 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 53.85 1g3b s LEU 33 Cb -0.16 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 1g3b s LEU 33 CO 0.04 -0.15 -0.17 0.21 0.23 0.00 0.00 176.35 176.51 1g3b s ASN 34 N 0.98 2.10 -0.31 2.29 2.47 -0.08 -1.92 114.94 120.46 1g3b s ASN 34 Ca 0.27 -0.34 0.18 0.00 0.42 0.00 0.00 52.86 53.39 1g3b s ASN 34 Cb -0.16 -0.46 0.47 0.00 -1.45 0.00 0.00 41.25 39.66 1g3b s ASN 34 CO 0.11 0.17 1.00 -1.54 -3.72 0.00 0.00 177.10 173.12 1g3b n SER 37 N 2.97 1.77 0.00 -4.21 3.41 -1.26 -1.08 113.62 115.22 1g3b n SER 37 Ca -0.17 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1g3b n SER 37 Cb 0.53 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1g3b n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g3b n GLY 38 N -0.22 0.45 3.59 5.00 0.00 -1.26 -5.00 105.19 107.74 1g3b n GLY 38 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1g3b n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1g3b s TYR 39 N -2.11 -0.16 -0.01 1.61 1.13 -1.26 -5.14 117.35 111.41 1g3b s TYR 39 Ca 0.00 0.13 -0.30 0.00 -1.41 0.00 0.00 57.07 55.49 1g3b s TYR 39 Cb 0.00 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1g3b s TYR 39 CO 0.00 -0.23 1.22 -1.58 -2.51 0.00 0.00 175.55 172.44 1g3b s HIS 40 N -2.28 3.24 0.00 -3.49 5.65 -1.26 -4.34 115.29 112.82 1g3b s HIS 40 Ca 0.08 1.21 0.00 0.00 0.25 0.00 0.00 55.06 56.60 1g3b s HIS 40 Cb -0.01 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.95 1g3b s HIS 40 CO -0.05 -1.39 0.00 1.97 -0.65 0.00 0.00 174.74 174.62 1g3b n PHE 41 N 4.80 0.00 -3.48 3.88 1.16 -0.81 -5.00 117.46 118.01 1g3b n PHE 41 Ca 0.10 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.58 1g3b n PHE 41 Cb 0.46 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 1g3b n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1g3b n GLY 43 N -0.35 2.04 3.75 0.00 0.00 0.46 -0.56 105.19 110.53 1g3b n GLY 43 Ca -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 46.02 43.63 1g3b n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g3b s GLY 44 N -4.68 -0.21 -0.03 -0.02 0.00 -0.85 -3.73 107.32 97.79 1g3b s GLY 44 Ca 0.60 0.20 0.03 0.00 0.00 0.00 0.00 44.72 45.55 1g3b s GLY 44 CO 0.38 0.78 -0.12 -0.56 0.00 0.00 0.00 173.10 173.58 1g3b s SER 45 N -3.09 1.57 -0.24 1.64 0.01 -0.25 -1.44 113.70 111.90 1g3b s SER 45 Ca 0.16 -0.25 -0.25 0.00 1.31 0.00 0.00 55.95 56.91 1g3b s SER 45 Cb 0.00 -0.44 -0.00 0.00 0.21 0.00 0.00 66.02 65.79 1g3b s SER 45 CO 0.01 0.09 0.87 -0.22 0.41 0.00 0.00 173.24 174.41 1g3b s LEU 46 N 0.17 4.08 -0.01 2.44 2.96 -0.27 -0.69 118.68 127.37 1g3b s LEU 46 Ca -0.04 1.11 0.17 0.00 -0.22 0.00 0.00 54.13 55.14 1g3b s LEU 46 Cb -0.10 -3.26 -0.21 0.00 0.50 0.00 0.00 46.19 43.12 1g3b s LEU 46 CO 0.01 -0.55 0.58 2.30 -1.32 0.00 0.00 176.35 177.38 1g3b n ILE 47 N 5.27 0.00 -3.85 6.68 -5.35 -0.56 -0.85 119.36 120.70 1g3b n ILE 47 Ca 0.07 -0.21 -0.04 0.00 -0.27 0.00 0.00 62.75 62.30 1g3b n ILE 47 Cb 0.47 0.69 0.01 0.00 -1.74 0.00 0.00 39.64 39.07 1g3b n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1g3b s ASN 48 N -3.05 -0.03 0.67 7.28 2.20 -1.21 -4.58 114.94 116.22 1g3b s ASN 48 Ca 0.02 -0.69 0.42 0.00 -0.94 0.00 0.00 52.86 51.68 1g3b s ASN 48 Cb 0.12 0.54 2.32 0.00 -2.00 0.00 0.00 41.25 42.23 1g3b s ASN 48 CO 0.69 -1.07 2.31 0.77 -2.94 0.00 0.00 177.10 176.86 1g3b h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.96 -3.10 113.55 118.67 1g3b h SER 49 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1g3b h SER 49 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1g3b h SER 49 CO 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 1g3b n GLN 50 N -3.06 0.05 -4.65 4.77 6.02 -1.26 -0.19 117.38 119.06 1g3b n GLN 50 Ca -0.03 -0.36 -0.23 0.00 -0.01 0.00 0.00 57.00 56.38 1g3b n GLN 50 Cb 0.12 -0.84 -0.15 0.00 1.02 0.00 0.00 30.24 30.39 1g3b n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1g3b s TRP 51 N -0.11 1.38 -0.00 1.08 0.52 -1.17 -0.21 118.94 120.43 1g3b s TRP 51 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 56.10 55.90 1g3b s TRP 51 Cb 0.00 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.43 1g3b s TRP 51 CO 0.00 -0.00 -0.20 0.08 0.02 0.00 0.00 176.95 176.84 1g3b s VAL 52 N -0.48 1.61 -0.10 4.03 1.01 -0.02 -1.49 120.40 124.96 1g3b s VAL 52 Ca 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1g3b s VAL 52 Cb -0.06 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1g3b s VAL 52 CO -0.00 0.40 -0.06 0.54 0.00 0.00 0.00 175.10 175.97 1g3b s VAL 53 N -0.54 3.71 0.00 2.92 0.11 0.14 -0.27 120.40 126.46 1g3b s VAL 53 Ca 0.08 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1g3b s VAL 53 Cb -0.08 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 1g3b s VAL 53 CO -0.00 0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 172.09 1g3b n SER 54 N 2.75 0.00 -4.87 3.54 2.88 0.01 -1.09 113.62 116.84 1g3b n SER 54 Ca -0.18 -0.59 -0.34 0.00 -1.33 0.00 0.00 58.87 56.43 1g3b n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1g3b n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g3b s ALA 55 N -1.69 3.71 0.41 -1.46 0.00 -1.26 -0.78 121.76 120.70 1g3b s ALA 55 Ca 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 51.71 1g3b s ALA 55 Cb 0.00 -2.30 0.88 0.00 0.00 0.00 0.00 23.12 21.70 1g3b s ALA 55 CO 0.00 0.56 1.97 0.00 0.00 0.00 0.00 175.76 178.29 1g3b h ALA 56 N 3.58 1.61 0.00 0.00 0.00 -1.70 -1.81 119.26 120.94 1g3b h ALA 56 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1g3b h ALA 56 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1g3b h ALA 56 CO 0.67 0.29 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 1g3b n HIS 57 N -4.33 0.00 1.36 0.00 1.44 -1.26 -1.96 115.22 110.47 1g3b n HIS 57 Ca -0.01 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1g3b n HIS 57 Cb 0.23 -0.20 0.42 0.00 0.12 0.00 0.00 29.99 30.55 1g3b n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1g3b s TYR 59 N -2.09 2.60 -0.20 0.00 5.04 -0.83 -5.00 117.35 116.87 1g3b s TYR 59 Ca 0.34 1.21 -0.34 0.00 -2.44 0.00 0.00 57.07 55.84 1g3b s TYR 59 Cb 0.20 -3.97 0.14 0.00 0.35 0.00 0.00 41.96 38.69 1g3b s TYR 59 CO 0.37 -2.88 1.21 -1.59 -1.34 0.00 0.00 175.55 171.32 1g3b s LYS 60 N -2.15 0.30 0.59 4.97 -2.85 -1.26 -5.15 119.74 114.18 1g3b s LYS 60 Ca 0.54 -0.09 -0.07 0.00 -1.00 0.00 0.00 55.97 55.35 1g3b s LYS 60 Cb -0.45 0.14 -0.01 0.00 -2.06 0.00 0.00 37.83 35.45 1g3b s LYS 60 CO 0.61 -0.13 0.92 -1.54 0.10 0.00 0.00 175.35 175.31 1g3b s SER 61 N -2.01 5.81 -0.71 0.03 1.04 -1.26 -4.39 113.70 112.21 1g3b s SER 61 Ca 0.09 0.93 -0.04 0.00 0.48 0.00 0.00 55.95 57.40 1g3b s SER 61 Cb -0.01 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1g3b s SER 61 CO -0.05 -0.97 0.62 0.61 0.98 0.00 0.00 173.24 174.43 1g3b n GLY 62 N -2.60 0.12 3.73 7.32 0.00 -1.26 -5.01 105.19 107.50 1g3b n GLY 62 Ca 0.04 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1g3b n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g3b s ILE 63 N -3.18 5.08 -0.17 -0.61 1.01 -1.26 -4.61 121.20 117.46 1g3b s ILE 63 Ca 0.26 1.19 -0.01 0.00 0.00 0.00 0.00 60.65 62.09 1g3b s ILE 63 Cb -0.11 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1g3b s ILE 63 CO 0.39 0.32 -0.12 -1.58 0.00 0.00 0.00 174.94 173.95 1g3b s GLN 64 N 0.51 3.30 -0.14 2.79 0.74 -0.24 -1.85 119.66 124.77 1g3b s GLN 64 Ca 0.31 -0.70 -0.20 0.00 0.05 0.00 0.00 55.36 54.82 1g3b s GLN 64 Cb -0.17 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.18 1g3b s GLN 64 CO 0.15 0.01 0.58 0.08 -0.55 0.00 0.00 175.29 175.56 1g3b s VAL 65 N 0.88 5.09 -0.27 1.34 1.01 0.12 -0.91 120.40 127.67 1g3b s VAL 65 Ca -0.03 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 1g3b s VAL 65 Cb -0.15 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1g3b s VAL 65 CO -0.00 0.23 -0.03 -0.13 0.00 0.00 0.00 175.10 175.17 1g3b s ARG 65 N 1.15 2.73 0.23 2.72 0.52 -0.15 -0.77 118.95 125.38 1g3b s ARG 65 Ca 0.30 -1.06 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 1g3b s ARG 65 Cb -0.16 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1g3b s ARG 65 CO 0.12 -0.48 0.21 -0.51 0.02 0.00 0.00 175.30 174.67 1g3b s LEU 66 N 1.32 3.90 -1.25 2.53 1.43 -0.05 -1.57 118.68 125.00 1g3b s LEU 66 Ca -0.01 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1g3b s LEU 66 Cb -0.18 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1g3b s LEU 66 CO -0.03 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1g3b n GLY 69 N -1.07 0.71 3.88 -3.19 0.00 -1.26 -1.35 105.19 102.91 1g3b n GLY 69 Ca -0.08 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1g3b n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g3b s GLU 70 N -3.76 3.79 0.00 1.61 0.41 -1.26 -3.91 118.70 115.58 1g3b s GLU 70 Ca 0.00 0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 1g3b s GLU 70 Cb 0.00 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1g3b s GLU 70 CO 0.00 0.18 0.00 -3.47 -0.49 0.00 0.00 175.26 171.48 1g3b n ASP 71 N -0.63 0.00 -4.58 -0.19 2.03 -1.26 -4.61 116.55 107.31 1g3b n ASP 71 Ca 0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 1g3b n ASP 71 Cb 0.53 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 1g3b n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1g3b s ASN 72 N 0.28 6.56 0.00 1.67 3.04 -1.25 -3.20 114.94 122.04 1g3b s ASN 72 Ca 0.00 0.28 0.23 0.00 0.04 0.00 0.00 52.86 53.41 1g3b s ASN 72 Cb 0.00 -2.51 1.19 0.00 -1.54 0.00 0.00 41.25 38.39 1g3b s ASN 72 CO 0.00 -1.22 1.75 2.30 -3.04 0.00 0.00 177.10 176.89 1g3b n ILE 73 N 6.67 0.23 0.70 -5.21 -5.35 -0.37 -2.97 119.36 113.07 1g3b n ILE 73 Ca 0.09 0.06 0.08 0.00 -0.27 0.00 0.00 62.75 62.71 1g3b n ILE 73 Cb 0.49 -0.69 0.01 0.00 -1.74 0.00 0.00 39.64 37.71 1g3b n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1g3b n ASN 74 N -1.23 1.70 -3.95 7.28 5.03 -1.26 -4.95 115.26 117.88 1g3b n ASN 74 Ca 0.12 -1.35 -0.19 0.00 0.87 0.00 0.00 54.58 54.03 1g3b n ASN 74 Cb 0.16 0.41 -0.15 0.00 -1.02 0.00 0.00 39.78 39.18 1g3b n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1g3b s VAL 75 N -1.81 0.55 -0.54 2.41 1.01 -1.16 -5.09 120.40 115.77 1g3b s VAL 75 Ca 0.14 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 1g3b s VAL 75 Cb 0.13 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1g3b s VAL 75 CO 0.37 0.19 1.11 -0.69 0.00 0.00 0.00 175.10 176.08 1g3b s VAL 76 N 0.34 4.17 -0.45 2.92 1.01 -1.26 -4.70 120.40 122.42 1g3b s VAL 76 Ca -0.04 0.83 0.20 0.00 0.00 0.00 0.00 61.98 62.97 1g3b s VAL 76 Cb -0.08 -4.64 -0.27 0.00 0.00 0.00 0.00 36.38 31.39 1g3b s VAL 76 CO 0.00 -1.19 0.63 -0.62 0.00 0.00 0.00 175.10 173.93 1g3b n GLU 77 N 8.01 0.55 0.00 2.72 1.02 -1.26 -5.09 120.64 126.60 1g3b n GLU 77 Ca 0.08 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1g3b n GLU 77 Cb 0.49 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1g3b n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g3b n GLY 78 N 1.40 2.94 2.21 0.62 0.00 -1.26 -5.00 105.19 106.11 1g3b n GLY 78 Ca -0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1g3b n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3b n ASN 79 N 0.00 0.00 -4.79 1.61 3.02 -1.26 -4.96 115.26 108.88 1g3b n ASN 79 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1g3b n ASN 79 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1g3b n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1g3b s GLU 80 N -0.26 3.78 -0.07 3.52 8.01 -1.25 -4.33 118.70 128.10 1g3b s GLU 80 Ca 0.00 1.41 -0.02 0.00 0.01 0.00 0.00 54.97 56.37 1g3b s GLU 80 Cb 0.00 -2.12 0.03 0.00 -4.31 0.00 0.00 34.13 27.73 1g3b s GLU 80 CO 0.00 -0.46 0.03 -0.65 0.01 0.00 0.00 175.26 174.20 1g3b s GLN 81 N -3.17 0.27 -0.25 1.61 -0.21 -0.46 -4.98 119.66 112.47 1g3b s GLN 81 Ca 0.67 0.21 -0.08 0.00 0.02 0.00 0.00 55.36 56.17 1g3b s GLN 81 Cb -0.18 -0.84 -0.03 0.00 1.00 0.00 0.00 33.01 32.96 1g3b s GLN 81 CO 0.21 -0.34 0.10 -0.06 -2.12 0.00 0.00 175.29 173.08 1g3b s PHE 82 N 2.07 3.13 -0.04 0.91 0.08 -1.26 -0.87 117.98 122.00 1g3b s PHE 82 Ca 0.05 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1g3b s PHE 82 Cb -0.12 -2.27 0.02 0.00 -0.57 0.00 0.00 43.02 40.08 1g3b s PHE 82 CO -0.04 -0.28 -0.04 0.42 -0.10 0.00 0.00 175.22 175.18 1g3b s ILE 83 N 1.58 0.47 0.50 0.64 1.01 0.05 -4.98 121.20 120.47 1g3b s ILE 83 Ca 0.06 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.41 1g3b s ILE 83 Cb -0.15 -0.50 -0.07 0.00 0.01 0.00 0.00 42.46 41.75 1g3b s ILE 83 CO 0.05 0.20 1.10 -0.44 0.00 0.00 0.00 174.94 175.86 1g3b s SER 84 N 0.84 6.08 -0.03 3.58 0.01 -1.26 0.15 113.70 123.08 1g3b s SER 84 Ca -0.11 2.12 -0.28 0.00 1.31 0.00 0.00 55.95 58.99 1g3b s SER 84 Cb -0.14 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 1g3b s SER 84 CO -0.00 -0.97 0.89 0.00 0.41 0.00 0.00 173.24 173.58 1g3b s ALA 85 N -1.77 3.23 0.02 1.44 0.00 -0.77 -0.92 121.76 122.98 1g3b s ALA 85 Ca 0.68 0.40 0.08 0.00 0.00 0.00 0.00 51.96 53.12 1g3b s ALA 85 Cb -0.23 -3.22 -0.23 0.00 0.00 0.00 0.00 23.12 19.44 1g3b s ALA 85 CO 0.27 -0.21 0.89 0.66 0.00 0.00 0.00 175.76 177.36 1g3b h SER 86 N 6.81 0.06 -4.15 0.00 4.64 -0.99 -3.45 113.55 116.47 1g3b h SER 86 Ca -0.40 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1g3b h SER 86 Cb 1.21 -0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 1g3b h SER 86 CO 0.76 1.08 0.33 -1.59 -0.87 0.00 0.00 176.83 176.53 1g3b s LYS 87 N -2.64 0.77 -0.09 4.77 -2.85 -1.21 -5.01 119.74 113.47 1g3b s LYS 87 Ca -0.04 0.46 0.04 0.00 -1.00 0.00 0.00 55.97 55.44 1g3b s LYS 87 Cb 0.08 0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 36.22 1g3b s LYS 87 CO 0.83 -0.18 -0.23 -1.12 0.10 0.00 0.00 175.35 174.74 1g3b s SER 88 N -0.52 3.20 -0.36 0.03 0.01 -1.26 -1.20 113.70 113.61 1g3b s SER 88 Ca -0.03 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1g3b s SER 88 Cb -0.02 -1.31 0.10 0.00 0.21 0.00 0.00 66.02 64.99 1g3b s SER 88 CO 0.02 0.18 0.11 -0.63 0.41 0.00 0.00 173.24 173.33 1g3b s ILE 89 N 0.22 2.79 0.20 1.44 1.01 0.22 -4.97 121.20 122.11 1g3b s ILE 89 Ca -0.15 -2.10 -0.29 0.00 0.00 0.00 0.00 60.65 58.11 1g3b s ILE 89 Cb -0.17 -2.93 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 1g3b s ILE 89 CO 0.07 -0.57 0.92 -0.69 0.00 0.00 0.00 174.94 174.67 1g3b s VAL 90 N 1.05 4.20 0.18 2.92 1.01 -1.26 -0.75 120.40 127.75 1g3b s VAL 90 Ca 0.07 2.02 -0.33 0.00 0.00 0.00 0.00 61.98 63.74 1g3b s VAL 90 Cb -0.21 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.73 1g3b s VAL 90 CO -0.06 0.47 1.52 1.57 0.00 0.00 0.00 175.10 178.60 1g3b n HIS 91 N 1.77 2.19 0.07 5.22 -0.00 -0.88 -4.84 115.22 118.75 1g3b n HIS 91 Ca -0.02 0.34 0.20 0.00 0.46 0.00 0.00 57.72 58.70 1g3b n HIS 91 Cb 0.48 -2.51 0.73 0.00 -0.12 0.00 0.00 29.99 28.57 1g3b n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1g3b h PRO 92 N 5.39 0.00 -0.60 1.57 0.11 -1.93 -1.62 132.00 134.92 1g3b h PRO 92 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1g3b h PRO 92 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1g3b h PRO 92 CO 0.85 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.07 1g3b n SER 93 N -4.08 4.54 -4.74 -2.05 7.64 -1.26 -4.98 113.62 108.70 1g3b n SER 93 Ca 0.07 -2.45 -0.42 0.00 1.01 0.00 0.00 58.87 57.09 1g3b n SER 93 Cb 0.56 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1g3b n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1g3b s TYR 94 N -1.84 2.84 -0.26 1.43 5.04 -0.61 -4.72 117.35 119.23 1g3b s TYR 94 Ca 0.48 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.74 1g3b s TYR 94 Cb 0.31 -4.07 0.05 0.00 0.35 0.00 0.00 41.96 38.60 1g3b s TYR 94 CO 0.23 -3.80 -0.08 1.21 -1.34 0.00 0.00 175.55 171.77 1g3b s ASN 95 N 0.79 4.40 0.16 4.32 3.84 -0.89 -5.00 114.94 122.57 1g3b s ASN 95 Ca 0.68 -1.19 0.20 0.00 0.21 0.00 0.00 52.86 52.76 1g3b s ASN 95 Cb -0.48 -1.61 0.84 0.00 -0.55 0.00 0.00 41.25 39.46 1g3b s ASN 95 CO 0.41 -0.18 1.61 -1.54 -2.79 0.00 0.00 177.10 174.61 1g3b n SER 96 N 4.55 0.42 0.07 -4.21 3.41 -1.26 0.62 113.62 117.22 1g3b n SER 96 Ca -0.15 0.61 -0.22 0.00 -0.26 0.00 0.00 58.87 58.84 1g3b n SER 96 Cb 0.44 -0.69 -0.15 0.00 -0.26 0.00 0.00 64.21 63.55 1g3b n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1g3b h ASN 97 N 0.00 0.60 0.00 4.04 2.35 -1.97 -3.38 115.58 117.22 1g3b h ASN 97 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 1g3b h ASN 97 Cb 0.30 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1g3b h ASN 97 CO 0.00 1.76 -1.60 0.35 -1.65 0.00 0.00 177.43 176.28 1g3b n THR 98 N -3.58 0.00 -1.52 2.81 -2.24 -1.15 -4.99 114.28 103.61 1g3b n THR 98 Ca -0.24 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 1g3b n THR 98 Cb 1.07 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 1g3b n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g3b n LEU 99 N -1.97 -0.99 -4.76 3.22 4.77 0.20 -4.99 117.00 112.50 1g3b n LEU 99 Ca -0.02 0.22 -0.40 0.00 -0.03 0.00 0.00 56.01 55.78 1g3b n LEU 99 Cb 0.42 -1.81 -0.05 0.00 -2.33 0.00 0.00 43.42 39.66 1g3b n LEU 99 CO 0.37 -0.50 0.76 0.21 -1.33 0.00 0.00 177.39 176.91 1g3b s ASN 100 N -2.79 7.29 -1.03 -1.43 2.47 -1.21 -3.17 114.94 115.06 1g3b s ASN 100 Ca 0.00 2.20 -0.06 0.00 0.42 0.00 0.00 52.86 55.42 1g3b s ASN 100 Cb 0.00 -2.62 0.01 0.00 -1.45 0.00 0.00 41.25 37.19 1g3b s ASN 100 CO 0.00 -0.12 0.90 0.59 -3.72 0.00 0.00 177.10 174.75 1g3b n ASN 101 N 1.14 -4.75 -4.29 -4.21 3.02 -1.26 -2.09 115.26 102.82 1g3b n ASN 101 Ca -0.01 -0.43 -0.43 0.00 -0.03 0.00 0.00 54.58 53.68 1g3b n ASN 101 Cb 0.46 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1g3b n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1g3b n ASP 102 N -2.14 4.63 -3.79 6.41 2.03 -1.19 -4.34 116.55 118.15 1g3b n ASP 102 Ca -0.04 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.24 1g3b n ASP 102 Cb 0.56 -1.71 -0.11 0.00 -0.72 0.00 0.00 41.12 39.15 1g3b n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1g3b s ILE 103 N 3.69 0.02 -0.03 5.18 2.07 -1.26 -3.92 121.20 126.95 1g3b s ILE 103 Ca 0.51 -0.18 -0.05 0.00 -1.41 0.00 0.00 60.65 59.51 1g3b s ILE 103 Cb 0.07 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.25 1g3b s ILE 103 CO 0.02 -0.10 0.13 -0.32 -1.91 0.00 0.00 174.94 172.76 1g3b s MET 104 N -0.34 0.27 -0.09 3.50 -2.45 0.04 -2.08 119.30 118.16 1g3b s MET 104 Ca -0.04 -0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.36 1g3b s MET 104 Cb -0.03 0.12 -0.03 0.00 1.25 0.00 0.00 34.83 36.13 1g3b s MET 104 CO 0.01 -0.05 -0.04 -0.51 1.05 0.00 0.00 175.02 175.48 1g3b s LEU 105 N -0.45 3.29 -0.11 4.11 1.43 0.07 -0.81 118.68 126.22 1g3b s LEU 105 Ca -0.05 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1g3b s LEU 105 Cb -0.03 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1g3b s LEU 105 CO 0.01 0.34 -0.19 -0.63 0.23 0.00 0.00 176.35 176.11 1g3b s ILE 106 N -0.66 1.74 -0.17 -0.59 1.01 0.63 0.69 121.20 123.85 1g3b s ILE 106 Ca 0.10 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 1g3b s ILE 106 Cb -0.12 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 1g3b s ILE 106 CO 0.02 0.49 0.22 -0.75 0.00 0.00 0.00 174.94 174.91 1g3b s LYS 107 N 0.80 4.14 0.29 2.79 2.20 -0.34 -0.84 119.74 128.78 1g3b s LYS 107 Ca -0.09 -0.05 -0.25 0.00 -0.36 0.00 0.00 55.97 55.22 1g3b s LYS 107 Cb -0.16 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 1g3b s LYS 107 CO 0.00 0.33 0.90 -0.51 -0.36 0.00 0.00 175.35 175.72 1g3b s LEU 108 N 0.23 4.38 0.32 5.43 1.43 0.71 -0.40 118.68 130.78 1g3b s LEU 108 Ca 0.13 1.77 0.01 0.00 -1.03 0.00 0.00 54.13 55.01 1g3b s LEU 108 Cb -0.12 -3.87 0.56 0.00 0.03 0.00 0.00 46.19 42.79 1g3b s LEU 108 CO 0.02 -0.01 1.96 0.50 0.23 0.00 0.00 176.35 179.04 1g3b h LYS 109 N 3.37 0.95 -4.76 1.70 3.64 -1.33 -3.43 116.57 116.71 1g3b h LYS 109 Ca -0.47 -0.06 -0.31 0.00 -1.27 0.00 0.00 60.65 58.55 1g3b h LYS 109 Cb 1.19 -0.21 -0.21 0.00 -0.41 0.00 0.00 32.23 32.59 1g3b h LYS 109 CO 0.65 0.63 -0.74 -1.12 -2.27 0.00 0.00 179.45 176.60 1g3b s SER 110 N -6.24 1.07 0.35 4.20 0.01 -1.26 -4.99 113.70 106.83 1g3b s SER 110 Ca -0.11 -0.59 -0.28 0.00 1.31 0.00 0.00 55.95 56.29 1g3b s SER 110 Cb 0.19 0.02 -0.10 0.00 0.21 0.00 0.00 66.02 66.34 1g3b s SER 110 CO 0.79 -0.19 1.26 0.00 0.41 0.00 0.00 173.24 175.51 1g3b s ALA 111 N -1.46 3.40 0.58 1.44 0.00 -1.26 -4.87 121.76 119.59 1g3b s ALA 111 Ca -0.07 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 1g3b s ALA 111 Cb -0.09 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1g3b s ALA 111 CO 0.01 -0.59 1.03 0.00 0.00 0.00 0.00 175.76 176.20 1g3b s ALA 112 N -1.20 2.89 -0.43 0.00 0.00 0.73 -5.00 121.76 118.75 1g3b s ALA 112 Ca 0.51 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 1g3b s ALA 112 Cb -0.37 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1g3b s ALA 112 CO 0.49 -0.63 0.64 -1.12 0.00 0.00 0.00 175.76 175.14 1g3b s SER 113 N -3.15 6.33 0.14 0.00 0.01 -1.26 -4.88 113.70 110.89 1g3b s SER 113 Ca 0.60 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 57.25 1g3b s SER 113 Cb -0.13 -2.32 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 1g3b s SER 113 CO 0.39 -0.77 0.94 -0.76 0.41 0.00 0.00 173.24 173.45 1g3b s LEU 114 N 2.82 4.54 0.00 2.44 1.43 -1.26 -4.79 118.68 123.86 1g3b s LEU 114 Ca 0.23 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1g3b s LEU 114 Cb -0.14 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1g3b s LEU 114 CO 0.19 -0.00 0.00 -0.46 0.23 0.00 0.00 176.35 176.31 1g3b n ASN 115 N 2.44 0.00 0.22 2.29 0.23 0.03 -4.98 115.26 115.50 1g3b n ASN 115 Ca 0.01 -0.27 0.10 0.00 -0.53 0.00 0.00 54.58 53.89 1g3b n ASN 115 Cb 0.49 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.66 1g3b n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1g3b h SER 116 N 0.00 0.00 0.61 0.53 4.64 -2.00 -3.13 113.55 114.20 1g3b h SER 116 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1g3b h SER 116 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1g3b h SER 116 CO 0.00 0.21 -1.48 0.54 -0.87 0.00 0.00 176.83 175.24 1g3b n ARG 117 N -3.39 0.63 -3.82 4.77 5.12 -1.26 -4.75 116.66 113.96 1g3b n ARG 117 Ca 0.00 0.11 -0.29 0.00 -1.93 0.00 0.00 57.85 55.73 1g3b n ARG 117 Cb 0.42 -1.74 -0.16 0.00 -1.16 0.00 0.00 32.46 29.82 1g3b n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1g3b s VAL 118 N -3.11 1.09 0.06 1.55 1.01 -1.18 -4.41 120.40 115.41 1g3b s VAL 118 Ca -0.04 -1.18 -0.00 0.00 0.00 0.00 0.00 61.98 60.77 1g3b s VAL 118 Cb 0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1g3b s VAL 118 CO 0.82 -0.36 -0.04 0.00 0.00 0.00 0.00 175.10 175.52 1g3b s ALA 119 N 1.56 0.62 0.44 5.51 0.00 -1.03 -0.79 121.76 128.08 1g3b s ALA 119 Ca 0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 1g3b s ALA 119 Cb -0.18 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1g3b s ALA 119 CO -0.13 -0.31 0.71 -1.54 0.00 0.00 0.00 175.76 174.49 1g3b s SER 120 N -2.82 6.23 0.01 0.00 1.04 -1.26 -2.86 113.70 114.04 1g3b s SER 120 Ca 0.06 0.74 0.04 0.00 0.48 0.00 0.00 55.95 57.27 1g3b s SER 120 Cb 0.06 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 1g3b s SER 120 CO -0.08 -0.51 -0.09 -0.51 0.98 0.00 0.00 173.24 173.03 1g3b s ILE 121 N -2.61 3.47 0.42 -1.02 1.10 -0.03 -4.88 121.20 117.65 1g3b s ILE 121 Ca 0.45 -0.85 -0.22 0.00 -0.51 0.00 0.00 60.65 59.52 1g3b s ILE 121 Cb -0.10 -2.50 -0.10 0.00 0.15 0.00 0.00 42.46 39.92 1g3b s ILE 121 CO 0.42 0.39 1.00 -0.44 -2.11 0.00 0.00 174.94 174.20 1g3b s SER 122 N -1.41 6.77 0.32 4.50 0.01 -1.26 -4.57 113.70 118.07 1g3b s SER 122 Ca 0.16 1.88 -0.17 0.00 1.31 0.00 0.00 55.95 59.13 1g3b s SER 122 Cb -0.11 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.47 1g3b s SER 122 CO 0.07 -0.48 0.77 -0.76 0.41 0.00 0.00 173.24 173.25 1g3b s LEU 123 N -2.97 4.10 0.59 2.44 1.43 -1.26 -1.16 118.68 121.86 1g3b s LEU 123 Ca 0.61 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 54.91 1g3b s LEU 123 Cb -0.16 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 1g3b s LEU 123 CO 0.20 -0.18 1.10 -2.16 0.23 0.00 0.00 176.35 175.54 1g3b s PRO 124 N -2.81 3.17 -0.02 1.29 0.04 -1.26 -4.82 135.00 130.60 1g3b s PRO 124 Ca 0.53 1.42 0.19 0.00 0.04 0.00 0.00 61.00 63.19 1g3b s PRO 124 Cb -0.11 -2.00 -0.27 0.00 0.04 0.00 0.00 34.50 32.16 1g3b s PRO 124 CO 0.18 -0.96 0.54 0.25 0.04 0.00 0.00 177.00 177.04 1g3b n THR 125 N -1.85 0.00 -3.67 1.26 -2.24 -1.26 -4.95 114.28 101.56 1g3b n THR 125 Ca 0.10 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 1g3b n THR 125 Cb 0.52 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 1g3b n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1g3b s SER 127 N -3.80 -0.19 0.52 3.42 1.04 -1.26 -5.16 113.70 108.26 1g3b s SER 127 Ca -0.03 -0.29 -0.19 0.00 0.48 0.00 0.00 55.95 55.92 1g3b s SER 127 Cb 0.13 0.44 -0.07 0.00 0.10 0.00 0.00 66.02 66.62 1g3b s SER 127 CO 0.80 -0.79 1.04 0.00 0.98 0.00 0.00 173.24 175.27 1g3b s ALA 129 N -2.17 3.23 0.33 0.00 0.00 -1.26 -5.08 121.76 116.81 1g3b s ALA 129 Ca 0.65 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1g3b s ALA 129 Cb -0.16 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1g3b s ALA 129 CO 0.26 0.15 0.50 -1.54 0.00 0.00 0.00 175.76 175.13 1g3b s SER 130 N -2.51 6.17 0.48 0.00 1.04 -1.26 -5.04 113.70 112.58 1g3b s SER 130 Ca 0.56 0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.95 1g3b s SER 130 Cb -0.10 -1.75 -0.07 0.00 0.10 0.00 0.00 66.02 64.20 1g3b s SER 130 CO 0.21 -0.32 1.32 0.00 0.98 0.00 0.00 173.24 175.42 1g3b n ALA 132 N -1.70 1.49 0.00 5.32 0.00 -1.26 -2.23 120.51 122.13 1g3b n ALA 132 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1g3b n ALA 132 Cb 0.57 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1g3b n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g3b n GLY 133 N 0.77 2.06 3.73 0.00 0.00 0.12 -4.95 105.19 106.92 1g3b n GLY 133 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1g3b n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g3b s THR 134 N -2.33 2.73 0.01 2.61 2.01 -0.95 -4.67 115.64 115.05 1g3b s THR 134 Ca 0.00 0.55 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 1g3b s THR 134 Cb 0.00 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1g3b s THR 134 CO 0.00 0.06 0.69 -1.58 -0.69 0.00 0.00 174.62 173.10 1g3b s GLN 135 N 0.62 4.42 0.21 4.92 2.00 -1.26 -1.38 119.66 129.19 1g3b s GLN 135 Ca 0.66 0.92 0.04 0.00 -2.00 0.00 0.00 55.36 54.97 1g3b s GLN 135 Cb -0.42 -3.37 -0.05 0.00 0.80 0.00 0.00 33.01 29.97 1g3b s GLN 135 CO 0.35 0.27 -0.03 0.00 -0.50 0.00 0.00 175.29 175.38 1g3b s LEU 137 N -3.26 3.00 -0.05 0.00 2.96 0.82 -0.98 118.68 121.16 1g3b s LEU 137 Ca 0.25 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1g3b s LEU 137 Cb 0.05 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1g3b s LEU 137 CO 0.06 0.07 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.36 1g3b s ILE 138 N 0.94 2.78 0.07 6.68 1.01 0.15 -1.27 121.20 131.56 1g3b s ILE 138 Ca -0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 1g3b s ILE 138 Cb -0.15 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1g3b s ILE 138 CO 0.01 0.58 0.11 -0.94 0.00 0.00 0.00 174.94 174.70 1g3b s SER 139 N -0.58 0.24 0.00 3.58 1.04 -1.23 -0.77 113.70 115.98 1g3b s SER 139 Ca 0.08 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1g3b s SER 139 Cb -0.11 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1g3b s SER 139 CO 0.01 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1g3b n GLY 140 N 0.13 0.72 1.49 7.32 0.00 -0.84 -4.47 105.19 109.54 1g3b n GLY 140 Ca -0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 1g3b n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1g3b n TRP 141 N -0.67 1.73 -1.48 1.61 8.01 -1.26 -2.20 117.44 123.17 1g3b n TRP 141 Ca 0.00 -1.31 -0.30 0.00 -1.31 0.00 0.00 57.50 54.58 1g3b n TRP 141 Cb 0.00 -0.56 0.22 0.00 -2.01 0.00 0.00 31.31 28.95 1g3b n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1g3b s GLY 142 N -1.75 1.68 0.32 6.99 0.00 -1.25 -4.40 107.32 108.91 1g3b s GLY 142 Ca 0.49 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 1g3b s GLY 142 CO 0.08 -0.25 1.34 -2.01 0.00 0.00 0.00 173.10 172.26 1g3b n ASN 143 N -4.32 2.89 -0.79 1.64 5.15 0.06 -2.94 115.26 116.94 1g3b n ASN 143 Ca 0.15 1.19 0.10 0.00 -0.60 0.00 0.00 54.58 55.41 1g3b n ASN 143 Cb 0.59 -1.49 0.10 0.00 -0.53 0.00 0.00 39.78 38.45 1g3b n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1g3b n THR 144 N 0.75 0.08 -4.85 -0.44 -2.24 -0.62 -1.37 114.28 105.59 1g3b n THR 144 Ca 0.06 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 1g3b n THR 144 Cb 0.35 1.32 -0.14 0.00 -2.10 0.00 0.00 70.33 69.76 1g3b n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1g3b s LYS 145 N -1.54 3.08 0.27 -0.78 3.01 -1.26 -4.42 119.74 118.10 1g3b s LYS 145 Ca 0.24 -0.71 0.11 0.00 -1.01 0.00 0.00 55.97 54.60 1g3b s LYS 145 Cb 0.16 -2.52 0.35 0.00 -1.01 0.00 0.00 37.83 34.81 1g3b s LYS 145 CO 0.24 0.34 1.61 1.03 0.51 0.00 0.00 175.35 179.08 1g3b h SER 146 N 6.28 0.00 -3.51 2.83 0.87 -1.93 -3.38 113.55 114.71 1g3b h SER 146 Ca -0.32 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.63 1g3b h SER 146 Cb 1.20 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.75 1g3b h SER 146 CO 0.53 0.61 -0.73 -0.55 -0.53 0.00 0.00 176.83 176.16 1g3b s SER 147 N -6.80 3.79 0.00 6.23 0.15 -1.26 -4.66 113.70 111.15 1g3b s SER 147 Ca -0.01 -2.48 0.00 0.00 0.70 0.00 0.00 55.95 54.16 1g3b s SER 147 Cb 0.12 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1g3b s SER 147 CO 0.76 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1g3b n GLY 148 N 3.75 0.74 3.11 9.45 0.00 -1.26 -5.06 105.19 115.92 1g3b n GLY 148 Ca 0.07 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 1g3b n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g3b s THR 149 N -0.87 1.81 -0.29 2.61 2.01 -1.26 -4.61 115.64 115.05 1g3b s THR 149 Ca 0.00 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1g3b s THR 149 Cb 0.00 -1.63 0.17 0.00 0.01 0.00 0.00 72.50 71.05 1g3b s THR 149 CO 0.00 0.50 0.46 -0.55 -0.69 0.00 0.00 174.62 174.34 1g3b s SER 150 N 0.97 -0.18 -0.11 3.53 0.15 -1.26 -5.01 113.70 111.79 1g3b s SER 150 Ca -0.05 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.32 1g3b s SER 150 Cb -0.15 1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 65.49 1g3b s SER 150 CO -0.03 -0.33 0.41 -0.31 1.20 0.00 0.00 173.24 174.17 1g3b s TYR 151 N 2.63 3.53 0.59 3.44 2.02 -1.26 -1.59 117.35 126.71 1g3b s TYR 151 Ca 0.11 0.81 -0.10 0.00 -0.37 0.00 0.00 57.07 57.52 1g3b s TYR 151 Cb -0.12 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 1g3b s TYR 151 CO -0.27 0.27 0.98 -1.25 -1.57 0.00 0.00 175.55 173.71 1g3b s PRO 152 N 0.28 3.59 -0.07 -1.71 0.04 -1.26 -5.01 135.00 130.86 1g3b s PRO 152 Ca 0.23 0.65 -0.10 0.00 0.04 0.00 0.00 61.00 61.82 1g3b s PRO 152 Cb -0.15 -2.14 -0.29 0.00 0.04 0.00 0.00 34.50 31.96 1g3b s PRO 152 CO 0.09 -0.49 0.59 -0.44 0.04 0.00 0.00 177.00 176.79 1g3b h ASP 153 N -0.20 0.56 -2.05 6.66 3.32 -1.94 -3.47 116.42 119.30 1g3b h ASP 153 Ca -0.45 -0.93 -0.47 0.00 0.02 0.00 0.00 57.03 55.21 1g3b h ASP 153 Cb 1.19 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1g3b h ASP 153 CO 0.62 1.80 -0.44 0.68 -1.72 0.00 0.00 179.24 180.18 1g3b s VAL 154 N -2.57 4.54 0.19 -1.35 -7.23 -1.26 -1.24 120.40 111.48 1g3b s VAL 154 Ca -0.17 -1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 58.54 1g3b s VAL 154 Cb 0.06 -3.55 -0.09 0.00 0.56 0.00 0.00 36.38 33.36 1g3b s VAL 154 CO 0.83 -0.27 1.43 -0.22 -0.31 0.00 0.00 175.10 176.56 1g3b s LEU 155 N -3.99 4.38 0.09 1.32 2.96 -1.19 -4.84 118.68 117.41 1g3b s LEU 155 Ca 0.37 2.52 0.04 0.00 -0.22 0.00 0.00 54.13 56.84 1g3b s LEU 155 Cb -0.08 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1g3b s LEU 155 CO 0.28 -0.68 0.06 -0.54 -1.32 0.00 0.00 176.35 174.14 1g3b s LYS 156 N 0.37 2.76 0.14 1.98 -0.14 -0.94 -2.20 119.74 121.71 1g3b s LYS 156 Ca 0.62 -0.77 0.08 0.00 -1.36 0.00 0.00 55.97 54.55 1g3b s LYS 156 Cb -0.40 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.07 1g3b s LYS 156 CO 0.36 0.55 -0.19 0.00 -0.76 0.00 0.00 175.35 175.31 1g3b s LEU 158 N -2.39 -0.20 -0.21 0.00 2.96 0.05 -0.60 118.68 118.30 1g3b s LEU 158 Ca 0.12 0.92 -0.17 0.00 -0.22 0.00 0.00 54.13 54.78 1g3b s LEU 158 Cb -0.07 1.36 -0.04 0.00 0.50 0.00 0.00 46.19 47.95 1g3b s LEU 158 CO 0.05 -0.20 0.44 -0.54 -1.32 0.00 0.00 176.35 174.79 1g3b s LYS 159 N 1.61 4.17 -0.01 1.98 -0.14 -1.26 -0.67 119.74 125.41 1g3b s LYS 159 Ca -0.08 0.27 -0.05 0.00 -1.36 0.00 0.00 55.97 54.75 1g3b s LYS 159 Cb -0.09 -3.56 0.00 0.00 -1.68 0.00 0.00 37.83 32.51 1g3b s LYS 159 CO -0.13 -0.10 0.10 0.00 -0.76 0.00 0.00 175.35 174.46 1g3b s ALA 160 N 1.49 -0.23 0.20 5.17 0.00 -0.16 -4.95 121.76 123.29 1g3b s ALA 160 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 1g3b s ALA 160 Cb -0.15 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1g3b s ALA 160 CO 0.09 -0.14 0.45 -1.25 0.00 0.00 0.00 175.76 174.91 1g3b s PRO 161 N -0.80 3.63 0.13 0.00 0.04 -1.26 -0.41 135.00 136.32 1g3b s PRO 161 Ca -0.09 -0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.59 1g3b s PRO 161 Cb -0.05 -2.77 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1g3b s PRO 161 CO 0.01 0.37 1.04 0.42 0.04 0.00 0.00 177.00 178.88 1g3b s ILE 162 N -1.82 4.21 0.40 0.56 1.01 -0.48 -1.57 121.20 123.51 1g3b s ILE 162 Ca 0.42 1.82 -0.01 0.00 0.00 0.00 0.00 60.65 62.88 1g3b s ILE 162 Cb -0.11 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1g3b s ILE 162 CO 0.26 0.27 0.63 -0.76 0.00 0.00 0.00 174.94 175.34 1g3b s LEU 163 N 0.01 3.85 0.66 2.97 1.43 -0.02 0.11 118.68 127.69 1g3b s LEU 163 Ca 0.49 0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 1g3b s LEU 163 Cb -0.26 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1g3b s LEU 163 CO 0.32 -0.44 1.18 -0.94 0.23 0.00 0.00 176.35 176.69 1g3b s SER 164 N -4.09 4.81 0.35 2.29 1.04 -1.26 -4.64 113.70 112.20 1g3b s SER 164 Ca 0.43 2.26 0.04 0.00 0.48 0.00 0.00 55.95 59.16 1g3b s SER 164 Cb -0.10 -2.58 0.66 0.00 0.10 0.00 0.00 66.02 64.10 1g3b s SER 164 CO 0.38 -1.84 1.95 -0.78 0.98 0.00 0.00 173.24 173.93 1g3b h ASP 165 N 0.22 0.58 -0.58 7.02 3.58 -1.97 -2.28 116.42 122.99 1g3b h ASP 165 Ca -0.48 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 56.83 1g3b h ASP 165 Cb 1.28 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 1g3b h ASP 165 CO 0.53 0.52 0.06 0.77 -2.88 0.00 0.00 179.24 178.24 1g3b h SER 166 N 0.64 0.98 0.33 2.28 4.64 -1.99 -1.26 113.55 119.17 1g3b h SER 166 Ca 0.16 -0.24 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1g3b h SER 166 Cb 0.11 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1g3b h SER 166 CO -0.02 1.00 -0.61 0.28 -0.87 0.00 0.00 176.83 176.61 1g3b h SER 167 N 0.95 0.31 -0.07 4.97 0.02 -1.85 -2.11 113.55 115.77 1g3b h SER 167 Ca 0.18 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1g3b h SER 167 Cb 0.46 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1g3b h SER 167 CO 0.02 0.84 -0.01 0.00 -1.14 0.00 0.00 176.83 176.53 1g3b h LYS 169 N -0.20 0.00 -0.00 0.00 1.57 -1.25 -1.37 116.57 115.31 1g3b h LYS 169 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1g3b h LYS 169 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1g3b h LYS 169 CO 0.01 0.35 -0.73 0.66 -0.57 0.00 0.00 179.45 179.16 1g3b h SER 170 N 0.00 0.03 0.42 0.86 4.64 -1.31 -2.38 113.55 115.82 1g3b h SER 170 Ca -0.00 -0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 1g3b h SER 170 Cb 0.74 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1g3b h SER 170 CO 0.05 0.75 -0.96 0.00 -0.87 0.00 0.00 176.83 175.79 1g3b h ALA 171 N 1.25 0.36 -2.11 5.18 0.00 -0.91 -3.38 119.26 119.66 1g3b h ALA 171 Ca -0.01 -0.73 -0.58 0.00 0.00 0.00 0.00 54.91 53.59 1g3b h ALA 171 Cb 1.30 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.65 1g3b h ALA 171 CO 0.10 0.85 -0.83 0.66 0.00 0.00 0.00 179.25 180.03 1g3b n TYR 172 N -3.70 1.89 -1.66 0.00 4.01 -0.56 -4.95 117.16 112.19 1g3b n TYR 172 Ca -0.06 -3.89 -0.56 0.00 -0.16 0.00 0.00 57.90 53.23 1g3b n TYR 172 Cb 0.85 -0.46 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 1g3b n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1g3b n PRO 173 N 0.98 1.06 -1.50 -0.72 -0.02 -0.90 -1.92 135.00 131.99 1g3b n PRO 173 Ca 0.26 0.39 -0.17 0.00 -2.02 0.00 0.00 63.50 61.96 1g3b n PRO 173 Cb 0.47 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 1g3b n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g3b n GLY 174 N 3.44 1.69 0.00 -1.23 0.00 -1.26 -4.82 105.19 103.01 1g3b n GLY 174 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1g3b n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3b n GLN 175 N -2.21 5.59 -3.52 1.61 6.02 -0.81 -5.00 117.38 119.07 1g3b n GLN 175 Ca -0.17 -0.08 -0.38 0.00 -0.01 0.00 0.00 57.00 56.36 1g3b n GLN 175 Cb 0.61 -0.56 -0.09 0.00 1.02 0.00 0.00 30.24 31.21 1g3b n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g3b s ILE 176 N -0.82 5.27 0.51 5.09 -1.09 -1.25 -5.04 121.20 123.87 1g3b s ILE 176 Ca 0.00 0.38 0.09 0.00 -2.23 0.00 0.00 60.65 58.89 1g3b s ILE 176 Cb 0.00 -3.60 0.05 0.00 -1.58 0.00 0.00 42.46 37.33 1g3b s ILE 176 CO 0.00 0.25 0.67 0.42 -1.23 0.00 0.00 174.94 175.05 1g3b s THR 177 N 1.55 2.45 -0.62 2.92 -4.23 -1.26 -4.98 115.64 111.47 1g3b s THR 177 Ca 0.11 -1.04 0.17 0.00 -1.18 0.00 0.00 61.69 59.75 1g3b s THR 177 Cb -0.15 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.37 1g3b s THR 177 CO 0.08 0.00 1.53 -1.54 -0.54 0.00 0.00 174.62 174.15 1g3b n SER 178 N -2.04 0.38 -1.79 3.99 3.41 -1.26 -2.28 113.62 114.03 1g3b n SER 178 Ca 0.11 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.41 1g3b n SER 178 Cb 0.61 -0.69 0.38 0.00 -0.26 0.00 0.00 64.21 64.24 1g3b n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1g3b n ASN 179 N -1.96 5.39 -4.15 4.04 3.02 -1.26 -4.92 115.26 115.41 1g3b n ASN 179 Ca 0.01 -2.84 -0.10 0.00 -0.03 0.00 0.00 54.58 51.61 1g3b n ASN 179 Cb 0.13 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 38.53 1g3b n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1g3b s MET 180 N -2.60 0.79 0.01 3.52 -1.94 -0.97 -1.11 119.30 117.01 1g3b s MET 180 Ca 0.51 -1.28 -0.17 0.00 -1.71 0.00 0.00 55.69 53.04 1g3b s MET 180 Cb 0.38 -0.18 0.03 0.00 2.01 0.00 0.00 34.83 37.07 1g3b s MET 180 CO 0.15 -0.02 0.37 -0.59 -0.01 0.00 0.00 175.02 174.92 1g3b s PHE 181 N -3.47 -0.23 0.05 -0.03 -0.12 -0.44 -4.79 117.98 108.95 1g3b s PHE 181 Ca 0.10 0.26 0.00 0.00 -0.05 0.00 0.00 56.93 57.24 1g3b s PHE 181 Cb 0.04 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1g3b s PHE 181 CO -0.05 -0.48 0.19 0.00 -0.05 0.00 0.00 175.22 174.83 1g3b s ALA 183 N -1.47 -0.73 0.00 0.00 0.00 -0.91 -0.84 121.76 117.81 1g3b s ALA 183 Ca 0.33 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1g3b s ALA 183 Cb -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1g3b s ALA 183 CO 0.26 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1g3b n GLY 184 N 2.08 0.66 2.93 0.00 0.00 -0.61 -2.73 105.19 107.52 1g3b n GLY 184 Ca -0.17 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 1g3b n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g3b s TYR 184 N -3.15 1.30 0.21 1.61 1.51 -1.26 -4.41 117.35 113.17 1g3b s TYR 184 Ca 0.00 -0.56 0.35 0.00 -1.01 0.00 0.00 57.07 55.85 1g3b s TYR 184 Cb 0.00 -1.07 1.53 0.00 -0.11 0.00 0.00 41.96 42.31 1g3b s TYR 184 CO 0.00 -0.38 2.05 -0.07 -1.11 0.00 0.00 175.55 176.03 1g3b h LEU 185 N 7.70 0.00 -0.37 -1.29 3.38 -1.94 -2.30 115.31 120.49 1g3b h LEU 185 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1g3b h LEU 185 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1g3b h LEU 185 CO 0.42 0.02 0.00 -0.33 0.09 0.00 0.00 178.44 178.64 1g3b h GLU 186 N 0.00 0.00 0.00 1.13 3.07 -1.95 0.15 114.58 116.98 1g3b h GLU 186 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1g3b h GLU 186 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1g3b h GLU 186 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1g3b n GLY 187 N 0.77 -0.84 1.50 -3.84 0.00 -0.87 -4.47 105.19 97.44 1g3b n GLY 187 Ca 0.04 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1g3b n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g3b n GLY 188 N -0.84 3.06 2.72 -0.02 0.00 -0.27 -4.96 105.19 104.87 1g3b n GLY 188 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1g3b n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3b s LYS 188 N -0.61 0.16 0.02 1.61 1.02 -1.26 -3.60 119.74 117.08 1g3b s LYS 188 Ca 0.00 0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.96 1g3b s LYS 188 Cb 0.00 -0.64 0.10 0.00 -0.52 0.00 0.00 37.83 36.78 1g3b s LYS 188 CO 0.00 -0.30 1.15 0.34 -0.92 0.00 0.00 175.35 175.63 1g3b s ASP 189 N 1.96 -0.12 0.65 2.83 2.15 -0.64 -4.18 116.67 119.32 1g3b s ASP 189 Ca 0.03 -0.19 -0.04 0.00 0.43 0.00 0.00 52.55 52.78 1g3b s ASP 189 Cb -0.12 0.27 0.05 0.00 -0.30 0.00 0.00 42.92 42.82 1g3b s ASP 189 CO -0.04 -0.50 0.93 -0.94 -0.17 0.00 0.00 175.17 174.45 1g3b s SER 190 N -2.84 5.00 0.27 -0.34 1.04 -1.26 -0.13 113.70 115.43 1g3b s SER 190 Ca 0.12 0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.80 1g3b s SER 190 Cb 0.02 -1.04 0.02 0.00 0.10 0.00 0.00 66.02 65.12 1g3b s SER 190 CO -0.02 -1.42 0.44 0.00 0.98 0.00 0.00 173.24 173.21 1g3b n GLN 192 N -0.42 1.70 0.00 0.00 -0.06 -1.26 -0.90 117.38 116.44 1g3b n GLN 192 Ca -0.02 0.61 0.00 0.00 -2.00 0.00 0.00 57.00 55.59 1g3b n GLN 192 Cb 0.44 -2.33 0.00 0.00 -4.06 0.00 0.00 30.24 24.29 1g3b n GLN 192 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1g3b n GLY 193 N 3.04 2.42 0.13 1.69 0.00 -1.26 -0.76 105.19 110.45 1g3b n GLY 193 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1g3b n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1g3b h ASP 194 N 0.46 0.00 -1.25 1.61 3.32 -1.34 -3.34 116.42 115.88 1g3b h ASP 194 Ca 0.00 -0.06 -0.71 0.00 0.02 0.00 0.00 57.03 56.28 1g3b h ASP 194 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1g3b h ASP 194 CO 0.00 0.03 -0.09 -1.20 -1.72 0.00 0.00 179.24 176.26 1g3b n SER 195 N -2.55 -0.09 0.00 6.45 7.64 -1.25 -1.00 113.62 122.82 1g3b n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1g3b n SER 195 Cb 0.49 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1g3b n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g3b n GLY 196 N 1.80 2.23 3.79 0.23 0.00 0.42 -0.40 105.19 113.25 1g3b n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1g3b n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g3b s GLY 197 N -1.94 1.64 0.39 -0.02 0.00 -0.17 -3.38 107.32 103.84 1g3b s GLY 197 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 44.72 43.68 1g3b s GLY 197 CO 0.00 -0.15 0.87 2.56 0.00 0.00 0.00 173.10 176.39 1g3b s PRO 198 N -5.52 4.14 -0.27 2.90 0.04 -1.26 -1.11 135.00 133.92 1g3b s PRO 198 Ca 0.69 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1g3b s PRO 198 Cb -0.10 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.25 1g3b s PRO 198 CO 0.54 0.03 0.06 0.08 0.04 0.00 0.00 177.00 177.74 1g3b s VAL 199 N -2.12 0.92 -0.17 -0.36 1.01 -0.71 -3.56 120.40 115.41 1g3b s VAL 199 Ca 0.59 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1g3b s VAL 199 Cb -0.09 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1g3b s VAL 199 CO 0.15 -0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.06 1g3b s VAL 200 N 1.63 3.75 -0.11 2.92 1.01 -0.40 -1.33 120.40 127.87 1g3b s VAL 200 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1g3b s VAL 200 Cb -0.17 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1g3b s VAL 200 CO -0.17 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.30 1g3b n SER 202 N 4.58 -1.22 0.00 0.00 3.41 -1.26 -1.74 113.62 117.38 1g3b n SER 202 Ca -0.16 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1g3b n SER 202 Cb 0.50 -3.49 0.00 0.00 -0.26 0.00 0.00 64.21 60.96 1g3b n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g3b n GLY 203 N -1.77 0.42 3.28 5.00 0.00 -1.26 -5.01 105.19 105.85 1g3b n GLY 203 Ca -0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1g3b n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3b s LYS 204 N -0.56 1.66 -0.64 1.61 -0.14 -0.71 -4.01 119.74 116.95 1g3b s LYS 204 Ca 0.00 -0.95 -0.28 0.00 -1.36 0.00 0.00 55.97 53.39 1g3b s LYS 204 Cb 0.00 -1.73 0.03 0.00 -1.68 0.00 0.00 37.83 34.44 1g3b s LYS 204 CO 0.00 0.46 1.25 -1.17 -0.76 0.00 0.00 175.35 175.12 1g3b s LEU 209 N -0.97 3.34 -0.05 3.17 2.96 -0.31 -0.82 118.68 125.99 1g3b s LEU 209 Ca 0.09 -0.07 0.21 0.00 -0.22 0.00 0.00 54.13 54.14 1g3b s LEU 209 Cb -0.09 -2.94 -0.33 0.00 0.50 0.00 0.00 46.19 43.33 1g3b s LEU 209 CO 0.01 -1.63 0.42 0.00 -1.32 0.00 0.00 176.35 173.82 1g3b n GLN 210 N 8.80 0.66 -4.00 1.98 1.13 -0.44 -4.10 117.38 121.41 1g3b n GLN 210 Ca 0.07 -0.17 -0.10 0.00 -1.94 0.00 0.00 57.00 54.86 1g3b n GLN 210 Cb 0.49 -1.52 -0.08 0.00 0.11 0.00 0.00 30.24 29.25 1g3b n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1g3b s GLY 211 N -4.65 0.58 -0.07 1.08 0.00 -0.89 -1.66 107.32 101.71 1g3b s GLY 211 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1g3b s GLY 211 CO 0.90 -0.96 -0.16 -0.42 0.00 0.00 0.00 173.10 172.46 1g3b s ILE 212 N -3.98 1.40 -0.02 0.90 1.01 -1.06 -1.74 121.20 117.71 1g3b s ILE 212 Ca 0.18 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1g3b s ILE 212 Cb 0.04 -1.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.18 1g3b s ILE 212 CO -0.00 0.41 2.04 0.52 0.00 0.00 0.00 174.94 177.91 1g3b n VAL 213 N 3.69 0.68 0.00 2.92 0.31 -0.27 -1.65 118.33 124.01 1g3b n VAL 213 Ca -0.22 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1g3b n VAL 213 Cb 0.52 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1g3b n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1g3b n SER 214 N 8.52 0.00 -1.77 4.52 2.88 -1.08 -0.44 113.62 126.24 1g3b n SER 214 Ca 0.22 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.71 1g3b n SER 214 Cb 0.42 -0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1g3b n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1g3b n TRP 215 N -2.49 -1.15 0.00 0.66 4.27 -0.90 -4.89 117.44 112.93 1g3b n TRP 215 Ca 0.00 -0.87 0.00 0.00 -3.89 0.00 0.00 57.50 52.74 1g3b n TRP 215 Cb 0.00 0.29 0.00 0.00 -1.36 0.00 0.00 31.31 30.24 1g3b n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1g3b n GLY 216 N -0.23 1.37 3.47 -1.67 0.00 -1.26 -0.06 105.19 106.81 1g3b n GLY 216 Ca -0.01 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1g3b n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g3b s SER 217 N 0.00 6.25 0.67 1.61 0.15 -1.26 -4.90 113.70 116.22 1g3b s SER 217 Ca 0.00 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1g3b s SER 217 Cb 0.00 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1g3b s SER 217 CO 0.00 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1g3b n GLY 219 N 5.15 0.36 2.81 9.45 0.00 -1.26 -4.67 105.19 117.04 1g3b n GLY 219 Ca -0.05 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 1g3b n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3b n ALA 221 N 4.20 -0.47 -1.98 0.00 0.00 -1.26 -4.61 120.51 116.39 1g3b n ALA 221 Ca -0.28 0.25 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 1g3b n ALA 221 Cb 0.50 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.78 1g3b n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g3b s GLN 221 N -4.42 4.29 0.44 0.00 -1.52 -1.26 -1.12 119.66 116.08 1g3b s GLN 221 Ca 0.00 0.99 -0.24 0.00 -1.95 0.00 0.00 55.36 54.16 1g3b s GLN 221 Cb 0.00 -2.67 -0.08 0.00 -0.22 0.00 0.00 33.01 30.05 1g3b s GLN 221 CO 0.00 0.25 1.25 -1.59 -0.25 0.00 0.00 175.29 174.95 1g3b s LYS 222 N -2.37 3.80 -0.55 2.91 -2.85 -1.26 -2.48 119.74 116.93 1g3b s LYS 222 Ca 0.50 2.00 0.00 0.00 -1.00 0.00 0.00 55.97 57.47 1g3b s LYS 222 Cb -0.15 -2.56 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 1g3b s LYS 222 CO 0.20 -0.58 0.00 0.09 0.10 0.00 0.00 175.35 175.15 1g3b n ASN 223 N -0.24 -5.00 -3.33 0.03 5.03 0.53 -4.91 115.26 107.38 1g3b n ASN 223 Ca 0.06 0.13 -0.26 0.00 0.87 0.00 0.00 54.58 55.38 1g3b n ASN 223 Cb 0.46 -2.96 -0.08 0.00 -1.02 0.00 0.00 39.78 36.17 1g3b n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1g3b n LYS 224 N -1.02 0.87 -1.22 3.52 4.76 -1.04 -4.80 118.16 119.24 1g3b n LYS 224 Ca -0.05 -3.49 -0.29 0.00 -2.87 0.00 0.00 58.31 51.61 1g3b n LYS 224 Cb 0.40 -1.56 0.16 0.00 -1.84 0.00 0.00 35.03 32.19 1g3b n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1g3b s PRO 225 N -1.00 0.76 0.50 1.97 0.04 -1.26 -4.37 135.00 131.63 1g3b s PRO 225 Ca 0.34 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 61.78 1g3b s PRO 225 Cb 0.11 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.80 1g3b s PRO 225 CO -0.13 -2.52 1.04 0.20 0.04 0.00 0.00 177.00 175.63 1g3b s GLY 226 N -3.50 2.46 -0.07 0.56 0.00 -1.11 -4.62 107.32 101.04 1g3b s GLY 226 Ca 0.64 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.96 1g3b s GLY 226 CO 0.57 0.89 -0.12 0.14 0.00 0.00 0.00 173.10 174.58 1g3b s VAL 227 N -2.04 3.26 0.08 1.40 1.01 0.91 -2.13 120.40 122.89 1g3b s VAL 227 Ca 0.67 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1g3b s VAL 227 Cb -0.16 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1g3b s VAL 227 CO 0.22 0.58 -0.14 -0.31 0.00 0.00 0.00 175.10 175.45 1g3b s TYR 228 N -0.49 1.24 0.02 5.22 1.51 0.63 -2.13 117.35 123.34 1g3b s TYR 228 Ca 0.07 -0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 1g3b s TYR 228 Cb -0.12 -0.68 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1g3b s TYR 228 CO 0.02 0.07 1.27 0.99 -1.11 0.00 0.00 175.55 176.79 1g3b s THR 229 N -1.57 3.94 -1.00 -0.71 2.01 -0.66 -1.33 115.64 116.32 1g3b s THR 229 Ca 0.01 1.34 -0.23 0.00 0.31 0.00 0.00 61.69 63.12 1g3b s THR 229 Cb -0.08 -3.86 0.05 0.00 0.01 0.00 0.00 72.50 68.61 1g3b s THR 229 CO 0.02 0.05 1.45 -0.75 -0.69 0.00 0.00 174.62 174.70 1g3b s LYS 230 N 1.72 3.56 0.41 4.92 2.20 -0.27 -2.56 119.74 129.73 1g3b s LYS 230 Ca 0.60 -1.06 0.13 0.00 -0.36 0.00 0.00 55.97 55.27 1g3b s LYS 230 Cb -0.29 -5.29 0.97 0.00 -1.51 0.00 0.00 37.83 31.71 1g3b s LYS 230 CO 0.27 -2.22 1.94 0.28 -0.36 0.00 0.00 175.35 175.26 1g3b h VAL 231 N 6.76 0.87 -0.07 4.02 2.07 -1.62 -2.36 116.25 125.93 1g3b h VAL 231 Ca 0.17 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1g3b h VAL 231 Cb 1.01 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1g3b h VAL 231 CO 1.42 0.09 0.14 0.00 0.02 0.00 0.00 177.57 179.24 1g3b n ASN 233 N -3.41 0.21 -0.33 0.00 3.02 -0.89 -3.81 115.26 110.05 1g3b n ASN 233 Ca -0.01 0.52 0.03 0.00 -0.03 0.00 0.00 54.58 55.09 1g3b n ASN 233 Cb 0.22 -0.58 0.06 0.00 -0.61 0.00 0.00 39.78 38.88 1g3b n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1g3b n TYR 234 N -1.70 0.15 -0.18 3.10 4.01 0.33 -4.75 117.16 118.14 1g3b n TYR 234 Ca 0.06 -0.28 -0.02 0.00 -0.16 0.00 0.00 57.90 57.51 1g3b n TYR 234 Cb 0.36 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.45 1g3b n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1g3b h VAL 235 N 1.24 0.79 -0.67 -0.72 2.07 -1.64 0.24 116.25 117.57 1g3b h VAL 235 Ca 0.00 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1g3b h VAL 235 Cb 0.48 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1g3b h VAL 235 CO 0.00 0.06 0.21 0.28 0.02 0.00 0.00 177.57 178.15 1g3b h SER 236 N 0.36 0.97 -0.55 0.57 0.02 -1.88 -1.78 113.55 111.25 1g3b h SER 236 Ca 0.27 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1g3b h SER 236 Cb 0.31 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1g3b h SER 236 CO -0.28 0.92 0.15 -0.25 -1.14 0.00 0.00 176.83 176.23 1g3b h TRP 237 N 0.97 0.91 -0.01 3.45 7.01 -1.73 -1.23 115.95 125.32 1g3b h TRP 237 Ca 0.22 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 1g3b h TRP 237 Cb 0.29 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1g3b h TRP 237 CO 0.02 0.78 0.01 0.82 -2.79 0.00 0.00 178.44 177.27 1g3b h ILE 238 N 0.77 1.08 -0.53 2.65 2.04 -0.77 -0.98 117.51 121.77 1g3b h ILE 238 Ca 0.17 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1g3b h ILE 238 Cb 0.31 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1g3b h ILE 238 CO -0.00 0.07 0.27 0.11 0.00 0.00 0.00 178.15 178.60 1g3b h LYS 239 N -0.09 0.75 -0.41 2.37 1.57 -1.25 -0.55 116.57 118.97 1g3b h LYS 239 Ca 0.00 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 1g3b h LYS 239 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1g3b h LYS 239 CO -0.00 0.60 -0.12 1.96 -0.57 0.00 0.00 179.45 181.32 1g3b h GLN 240 N 0.71 0.73 -0.25 3.15 4.20 -1.16 -1.20 115.11 121.30 1g3b h GLN 240 Ca 0.18 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1g3b h GLN 240 Cb 0.08 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1g3b h GLN 240 CO -0.03 0.82 -0.31 1.15 -0.67 0.00 0.00 178.83 179.79 1g3b h THR 241 N 0.66 1.31 -0.57 -0.54 2.02 -0.92 -2.84 112.91 112.04 1g3b h THR 241 Ca 0.11 -1.50 -0.07 0.00 0.77 0.00 0.00 66.41 65.72 1g3b h THR 241 Cb 0.58 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1g3b h THR 241 CO 0.04 0.47 0.06 0.40 0.37 0.00 0.00 175.52 176.86 1g3b h ILE 242 N 0.36 1.25 0.00 3.11 2.04 -1.00 -2.81 117.51 120.45 1g3b h ILE 242 Ca 0.03 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.84 1g3b h ILE 242 Cb 0.89 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1g3b h ILE 242 CO 0.07 0.37 -0.22 0.00 0.00 0.00 0.00 178.15 178.37 1g3b h ALA 243 N 1.18 1.35 -0.66 1.87 0.00 -1.16 -2.91 119.26 118.95 1g3b h ALA 243 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1g3b h ALA 243 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1g3b h ALA 243 CO 0.02 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 1g3b n SER 244 N -3.86 3.80 0.00 0.00 3.41 -1.08 -5.10 113.62 110.79 1g3b n SER 244 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1g3b n SER 244 Cb 0.31 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1g3b n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47