#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g44 n THR 3 N -2.28 0.00 -0.85 0.00 -1.04 -1.26 -4.80 114.28 104.05 1g44 n THR 3 Ca 0.02 -1.00 -0.30 0.00 -2.04 0.00 0.00 64.05 60.73 1g44 n THR 3 Cb 0.57 -0.53 0.17 0.00 -1.82 0.00 0.00 70.33 68.72 1g44 n THR 3 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1g44 s ILE 4 N -1.02 2.36 1.19 12.58 -4.36 -1.26 -4.98 121.20 125.71 1g44 s ILE 4 Ca 0.23 0.12 -0.14 0.00 -0.26 0.00 0.00 60.65 60.59 1g44 s ILE 4 Cb -0.02 -2.31 0.27 0.00 1.25 0.00 0.00 42.46 41.66 1g44 s ILE 4 CO 0.15 -0.15 0.83 -2.65 0.24 0.00 0.00 174.94 173.36 1g44 n PRO 5 N -4.22 -2.52 -1.53 0.37 -0.02 -1.26 -5.00 135.00 120.82 1g44 n PRO 5 Ca 0.08 -0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 60.55 1g44 n PRO 5 Cb 0.53 -2.07 0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1g44 n PRO 5 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1g44 s SER 6 N -2.29 5.16 -0.18 2.55 1.04 -1.26 -5.06 113.70 113.67 1g44 s SER 6 Ca 0.67 1.60 -0.11 0.00 0.48 0.00 0.00 55.95 58.59 1g44 s SER 6 Cb -0.23 -2.44 -0.08 0.00 0.10 0.00 0.00 66.02 63.37 1g44 s SER 6 CO 0.66 -1.58 -0.26 -1.14 0.98 0.00 0.00 173.24 171.90 1g44 n ARG 7 N -3.22 0.41 -0.94 4.02 0.63 -1.26 -5.08 116.66 111.23 1g44 n ARG 7 Ca 0.08 0.18 -0.35 0.00 -0.92 0.00 0.00 57.85 56.83 1g44 n ARG 7 Cb 0.54 -1.20 -0.04 0.00 0.45 0.00 0.00 32.46 32.21 1g44 n ARG 7 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1g44 n PRO 8 N -3.96 0.00 -3.30 -0.14 -0.02 -1.26 -4.96 135.00 121.36 1g44 n PRO 8 Ca -0.32 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 60.77 1g44 n PRO 8 Cb 0.68 -0.84 -0.06 0.00 -0.02 0.00 0.00 33.50 33.26 1g44 n PRO 8 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1g44 s ILE 9 N -0.25 4.81 -0.68 4.25 1.01 -1.26 -4.39 121.20 124.69 1g44 s ILE 9 Ca 0.52 1.16 -0.03 0.00 0.00 0.00 0.00 60.65 62.29 1g44 s ILE 9 Cb -0.73 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 37.87 1g44 s ILE 9 CO 0.36 0.54 0.68 0.59 0.00 0.00 0.00 174.94 177.11 1g44 n ASN 10 N 1.90 -7.71 -2.28 3.58 3.02 -1.26 -5.05 115.26 107.46 1g44 n ASN 10 Ca -0.10 0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 1g44 n ASN 10 Cb 0.51 -5.17 -0.02 0.00 -0.61 0.00 0.00 39.78 34.49 1g44 n ASN 10 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1g44 n MET 11 N -1.51 0.41 -2.73 3.52 1.56 -1.26 -4.66 117.12 112.45 1g44 n MET 11 Ca 0.01 -1.81 -0.38 0.00 -0.27 0.00 0.00 57.70 55.25 1g44 n MET 11 Cb 0.50 1.70 -0.06 0.00 2.15 0.00 0.00 33.22 37.51 1g44 n MET 11 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1g44 s LYS 12 N -2.56 4.63 0.24 2.12 -2.85 -1.26 -4.60 119.74 115.45 1g44 s LYS 12 Ca 0.19 1.42 0.09 0.00 -1.00 0.00 0.00 55.97 56.68 1g44 s LYS 12 Cb -0.00 -2.94 -0.04 0.00 -2.06 0.00 0.00 37.83 32.79 1g44 s LYS 12 CO 0.14 0.30 -0.03 -0.06 0.10 0.00 0.00 175.35 175.80 1g44 s PHE 13 N -1.47 2.68 -0.44 1.78 0.08 -0.38 -4.83 117.98 115.41 1g44 s PHE 13 Ca 0.48 -0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.19 1g44 s PHE 13 Cb -0.22 -1.23 0.07 0.00 -0.57 0.00 0.00 43.02 41.07 1g44 s PHE 13 CO 0.28 0.59 0.31 0.15 -0.10 0.00 0.00 175.22 176.45 1g44 s LYS 14 N -3.38 2.82 -0.44 0.44 1.02 -1.26 -0.43 119.74 118.51 1g44 s LYS 14 Ca 0.29 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 54.99 1g44 s LYS 14 Cb -0.07 -3.94 0.17 0.00 -0.52 0.00 0.00 37.83 33.47 1g44 s LYS 14 CO 0.18 -0.94 0.47 1.21 -0.92 0.00 0.00 175.35 175.36 1g44 s ASN 15 N 2.22 0.43 0.00 2.83 2.47 -1.26 -4.98 114.94 116.65 1g44 s ASN 15 Ca 0.03 -2.28 0.00 0.00 0.42 0.00 0.00 52.86 51.03 1g44 s ASN 15 Cb -0.23 0.55 0.00 0.00 -1.45 0.00 0.00 41.25 40.13 1g44 s ASN 15 CO 0.05 -0.15 0.01 -1.54 -3.72 0.00 0.00 177.10 171.74 1g44 n SER 16 N 3.22 0.00 0.00 -4.21 3.41 -1.26 -4.97 113.62 109.81 1g44 n SER 16 Ca 0.22 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1g44 n SER 16 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1g44 n SER 16 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1g44 n GLU 18 N 0.00 0.00 -3.84 4.33 4.71 -1.26 -4.99 120.64 119.59 1g44 n GLU 18 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.87 1g44 n GLU 18 Cb 0.24 0.00 -0.12 0.00 -1.01 0.00 0.00 31.44 30.55 1g44 n GLU 18 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1g44 s THR 19 N 0.00 2.47 0.38 2.62 2.01 -1.26 -5.09 115.64 116.76 1g44 s THR 19 Ca 0.00 -3.87 0.08 0.00 0.31 0.00 0.00 61.69 58.21 1g44 s THR 19 Cb 0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1g44 s THR 19 CO 0.00 -1.00 0.27 -1.81 -0.69 0.00 0.00 174.62 171.39 1g44 s ASP 20 N -1.02 4.91 -0.10 3.53 1.01 -1.26 -5.06 116.67 118.67 1g44 s ASP 20 Ca 0.24 -0.75 -0.13 0.00 0.71 0.00 0.00 52.55 52.63 1g44 s ASP 20 Cb -0.07 -0.69 -0.11 0.00 1.01 0.00 0.00 42.92 43.05 1g44 s ASP 20 CO -0.14 -0.47 0.39 0.00 0.21 0.00 0.00 175.17 175.16 1g44 h ALA 21 N 1.28 -0.05 -3.17 5.23 0.00 -2.05 -3.41 119.26 117.08 1g44 h ALA 21 Ca -0.43 -0.20 -0.70 0.00 0.00 0.00 0.00 54.91 53.58 1g44 h ALA 21 Cb 1.26 0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.75 1g44 h ALA 21 CO 0.61 -0.06 -0.59 -0.80 0.00 0.00 0.00 179.25 178.41 1g44 s ASN 22 N -5.73 5.24 0.00 0.00 0.01 -1.26 -4.94 114.94 108.26 1g44 s ASN 22 Ca -0.08 -1.54 0.00 0.00 -0.71 0.00 0.00 52.86 50.53 1g44 s ASN 22 Cb -0.01 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.82 1g44 s ASN 22 CO 0.30 -0.42 0.00 0.00 -1.51 0.00 0.00 177.10 175.47 1g44 n ALA 23 N 4.71 0.78 -1.68 0.60 0.00 -1.26 -5.05 120.51 118.60 1g44 n ALA 23 Ca -0.09 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.85 1g44 n ALA 23 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 1g44 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g44 n ASN 24 N 0.00 3.07 0.00 0.00 3.02 -1.26 -4.89 115.26 115.19 1g44 n ASN 24 Ca 0.00 1.02 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1g44 n ASN 24 Cb 0.00 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.85 1g44 n ASN 24 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1g44 n TYR 25 N 5.66 0.00 -4.28 3.10 4.01 -1.26 -4.23 117.16 120.16 1g44 n TYR 25 Ca 0.22 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.80 1g44 n TYR 25 Cb 0.25 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.18 1g44 n TYR 25 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1g44 s ASN 26 N 1.00 2.09 -0.75 7.72 6.03 -1.26 -0.43 114.94 129.35 1g44 s ASN 26 Ca 0.00 -0.99 -0.06 0.00 -1.03 0.00 0.00 52.86 50.78 1g44 s ASN 26 Cb 0.00 -0.06 0.01 0.00 -3.03 0.00 0.00 41.25 38.17 1g44 s ASN 26 CO 0.00 -0.25 0.63 -0.38 -2.03 0.00 0.00 177.10 175.07 1g44 n ILE 27 N -0.16 -4.92 0.00 0.54 5.41 -1.26 -4.85 119.36 114.12 1g44 n ILE 27 Ca -0.10 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1g44 n ILE 27 Cb 0.60 -3.89 0.00 0.00 -0.71 0.00 0.00 39.64 35.64 1g44 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g44 n GLY 28 N -1.43 -0.02 2.88 7.39 0.00 -1.26 -5.16 105.19 107.59 1g44 n GLY 28 Ca -0.22 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1g44 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g44 s ASP 29 N 0.00 0.51 -0.22 1.61 1.01 -1.26 -4.90 116.67 113.42 1g44 s ASP 29 Ca 0.00 0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 1g44 s ASP 29 Cb 0.00 0.98 0.07 0.00 1.01 0.00 0.00 42.92 44.97 1g44 s ASP 29 CO 0.00 -0.32 0.03 -0.89 0.21 0.00 0.00 175.17 174.20 1g44 s THR 30 N 2.50 0.73 -0.13 -1.27 2.01 -1.26 -3.66 115.64 114.57 1g44 s THR 30 Ca 0.11 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 1g44 s THR 30 Cb -0.15 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 1g44 s THR 30 CO -0.18 -0.27 -0.10 -0.63 -0.69 0.00 0.00 174.62 172.75 1g44 s ILE 31 N 1.75 3.33 0.02 1.82 1.01 0.10 -4.97 121.20 124.26 1g44 s ILE 31 Ca -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1g44 s ILE 31 Cb -0.17 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1g44 s ILE 31 CO -0.11 0.52 0.25 -1.61 0.00 0.00 0.00 174.94 173.99 1g44 s GLU 32 N 0.30 3.53 0.10 2.79 2.02 -1.26 -0.72 118.70 125.46 1g44 s GLU 32 Ca -0.08 -0.18 0.07 0.00 0.02 0.00 0.00 54.97 54.80 1g44 s GLU 32 Cb -0.15 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1g44 s GLU 32 CO 0.05 0.64 -0.10 0.71 0.02 0.00 0.00 175.26 176.57 1g44 s TYR 33 N -1.36 2.73 -0.12 1.61 2.02 -1.26 -4.45 117.35 116.53 1g44 s TYR 33 Ca 0.29 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1g44 s TYR 33 Cb -0.13 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.02 1g44 s TYR 33 CO 0.19 0.42 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.94 1g44 s LEU 34 N -2.20 1.65 0.69 -1.29 1.43 0.43 -4.92 118.68 114.48 1g44 s LEU 34 Ca 0.21 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1g44 s LEU 34 Cb -0.11 -1.07 0.05 0.00 0.03 0.00 0.00 46.19 45.08 1g44 s LEU 34 CO 0.14 -0.02 1.02 0.00 0.23 0.00 0.00 176.35 177.71 1g44 s LEU 36 N -5.24 2.59 0.00 0.00 2.01 -1.26 -4.90 118.68 111.87 1g44 s LEU 36 Ca 0.59 1.28 0.00 0.00 0.01 0.00 0.00 54.13 56.00 1g44 s LEU 36 Cb -0.11 -3.89 0.00 0.00 0.01 0.00 0.00 46.19 42.21 1g44 s LEU 36 CO 0.46 -1.96 0.07 -2.65 1.01 0.00 0.00 176.35 173.28 1g44 n PRO 37 N -3.42 0.00 -3.62 1.29 -0.02 -1.26 -1.92 135.00 126.04 1g44 n PRO 37 Ca 0.07 0.07 -0.35 0.00 -2.02 0.00 0.00 63.50 61.27 1g44 n PRO 37 Cb 0.56 -0.11 -0.07 0.00 -0.02 0.00 0.00 33.50 33.87 1g44 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g44 n GLY 38 N -0.82 4.21 2.89 -1.23 0.00 -1.26 -5.00 105.19 103.98 1g44 n GLY 38 Ca 0.00 -2.61 -0.12 0.00 0.00 0.00 0.00 46.02 43.29 1g44 n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g44 s TYR 39 N -1.54 0.03 0.39 1.61 2.02 -0.81 -4.94 117.35 114.11 1g44 s TYR 39 Ca 0.28 -0.06 0.08 0.00 -0.37 0.00 0.00 57.07 57.00 1g44 s TYR 39 Cb -0.05 -0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.44 1g44 s TYR 39 CO -0.11 -0.02 0.17 1.03 -1.57 0.00 0.00 175.55 175.04 1g44 s ARG 40 N -0.18 2.25 -0.05 -0.62 1.81 0.43 -4.75 118.95 117.84 1g44 s ARG 40 Ca -0.02 -1.76 -0.05 0.00 -1.72 0.00 0.00 55.73 52.17 1g44 s ARG 40 Cb -0.01 -2.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.41 1g44 s ARG 40 CO -0.00 -0.06 0.19 0.15 -0.68 0.00 0.00 175.30 174.90 1g44 s LYS 41 N -3.89 3.48 0.00 3.54 1.02 -1.26 -0.43 119.74 122.20 1g44 s LYS 41 Ca 0.40 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.21 1g44 s LYS 41 Cb 0.02 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1g44 s LYS 41 CO 0.23 0.71 0.00 1.04 -0.92 0.00 0.00 175.35 176.40 1g44 n GLN 42 N 1.38 0.52 0.00 1.68 1.13 -0.55 -1.94 117.38 119.60 1g44 n GLN 42 Ca -0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 1g44 n GLN 42 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.88 1g44 n GLN 42 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1g44 n LYS 43 N -0.48 0.24 -2.04 -1.09 5.02 -1.26 -4.46 118.16 114.09 1g44 n LYS 43 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1g44 n LYS 43 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1g44 n LYS 43 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1g44 n MET 44 N -0.73 -0.38 0.00 1.97 2.81 -1.26 -4.84 117.12 114.69 1g44 n MET 44 Ca 0.00 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 1g44 n MET 44 Cb 0.00 -0.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 1g44 n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1g44 n GLY 45 N 0.63 1.81 0.10 3.03 0.00 -1.05 -4.53 105.19 105.17 1g44 n GLY 45 Ca -0.01 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1g44 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g44 h PRO 46 N 0.00 0.17 0.00 1.61 0.13 -1.66 -3.45 132.00 128.80 1g44 h PRO 46 Ca 0.00 -0.14 -0.46 0.00 -0.87 0.00 0.00 66.00 64.53 1g44 h PRO 46 Cb 0.00 0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.17 1g44 h PRO 46 CO 0.00 0.81 -0.11 0.44 -0.23 0.00 0.00 178.00 178.91 1g44 n ILE 47 N -4.58 0.00 -1.38 -3.56 -5.35 -1.26 -4.86 119.36 98.37 1g44 n ILE 47 Ca -0.09 -1.80 -0.20 0.00 -0.27 0.00 0.00 62.75 60.39 1g44 n ILE 47 Cb 0.43 -0.43 0.15 0.00 -1.74 0.00 0.00 39.64 38.05 1g44 n ILE 47 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1g44 n TYR 48 N -2.01 -3.87 -2.13 4.28 4.01 -1.26 -4.95 117.16 111.22 1g44 n TYR 48 Ca 0.10 -0.75 -0.42 0.00 -0.16 0.00 0.00 57.90 56.67 1g44 n TYR 48 Cb 0.55 -0.72 -0.03 0.00 -0.31 0.00 0.00 39.34 38.83 1g44 n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1g44 s ALA 49 N -3.67 3.61 0.08 -0.72 0.00 0.10 -4.86 121.76 116.30 1g44 s ALA 49 Ca 0.50 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.54 1g44 s ALA 49 Cb -0.02 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1g44 s ALA 49 CO 0.36 -0.91 -0.20 0.15 0.00 0.00 0.00 175.76 175.16 1g44 s LYS 50 N 2.23 1.18 -0.16 0.00 1.02 -1.25 -0.72 119.74 122.04 1g44 s LYS 50 Ca 0.67 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1g44 s LYS 50 Cb -0.35 -1.36 -0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1g44 s LYS 50 CO 0.29 0.33 -0.15 0.00 -0.92 0.00 0.00 175.35 174.90 1g44 s THR 52 N 0.83 0.89 -1.19 0.00 2.01 -1.26 -4.86 115.64 112.05 1g44 s THR 52 Ca -0.05 -2.01 -0.18 0.00 0.31 0.00 0.00 61.69 59.76 1g44 s THR 52 Cb -0.15 -2.28 0.10 0.00 0.01 0.00 0.00 72.50 70.18 1g44 s THR 52 CO -0.00 -0.36 1.54 -0.83 -0.69 0.00 0.00 174.62 174.28 1g44 s GLY 53 N -3.26 1.80 0.01 4.40 0.00 -1.26 -4.68 107.32 104.33 1g44 s GLY 53 Ca 0.27 -2.90 0.00 0.00 0.00 0.00 0.00 44.72 42.09 1g44 s GLY 53 CO 0.07 2.47 0.00 0.61 0.00 0.00 0.00 173.10 176.25 1g44 n GLY 55 N 5.34 0.00 3.72 0.20 0.00 -1.26 -5.10 105.19 108.09 1g44 n GLY 55 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1g44 n GLY 55 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1g44 s TRP 56 N -0.02 3.60 -0.81 1.61 0.52 -1.26 -4.92 118.94 117.66 1g44 s TRP 56 Ca 0.00 1.58 -0.02 0.00 0.02 0.00 0.00 56.10 57.68 1g44 s TRP 56 Cb 0.00 -3.22 0.20 0.00 -1.15 0.00 0.00 33.47 29.30 1g44 s TRP 56 CO 0.00 -0.45 0.68 0.99 0.02 0.00 0.00 176.95 178.18 1g44 s THR 57 N 0.72 4.10 0.27 2.01 2.01 0.10 -4.99 115.64 119.86 1g44 s THR 57 Ca 0.53 -3.67 -0.02 0.00 0.31 0.00 0.00 61.69 58.84 1g44 s THR 57 Cb -0.25 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.73 1g44 s THR 57 CO 0.30 -1.03 0.37 0.49 -0.69 0.00 0.00 174.62 174.06 1g44 n PHE 59 N 2.59 -3.46 -3.64 4.92 3.72 -1.26 -3.90 117.46 116.44 1g44 n PHE 59 Ca 0.18 -0.54 -0.08 0.00 -0.05 0.00 0.00 57.45 56.96 1g44 n PHE 59 Cb 0.37 -0.28 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 1g44 n PHE 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1g44 s ASN 60 N -2.46 -0.82 -0.24 4.37 4.22 -1.26 -4.81 114.94 113.93 1g44 s ASN 60 Ca 0.23 1.39 -0.27 0.00 -2.14 0.00 0.00 52.86 52.08 1g44 s ASN 60 Cb -0.01 1.36 0.12 0.00 1.28 0.00 0.00 41.25 44.00 1g44 s ASN 60 CO 0.16 -0.23 0.99 -1.10 -2.04 0.00 0.00 177.10 174.88 1g44 s GLN 61 N 1.21 0.57 -0.06 3.55 -0.21 -1.26 -5.07 119.66 118.39 1g44 s GLN 61 Ca -0.07 0.49 0.02 0.00 0.02 0.00 0.00 55.36 55.83 1g44 s GLN 61 Cb -0.05 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.25 1g44 s GLN 61 CO -0.13 -0.10 -0.09 0.00 -2.12 0.00 0.00 175.29 172.84 1g44 n ILE 63 N 3.89 0.00 -3.63 0.00 -5.35 0.42 -4.57 119.36 110.13 1g44 n ILE 63 Ca -0.24 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 61.99 1g44 n ILE 63 Cb 0.51 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.24 1g44 n ILE 63 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1g44 s LYS 64 N 1.12 0.07 -0.28 6.28 2.20 -1.26 -0.43 119.74 127.44 1g44 s LYS 64 Ca 0.00 -0.02 -0.19 0.00 -0.36 0.00 0.00 55.97 55.39 1g44 s LYS 64 Cb 0.00 -1.64 0.11 0.00 -1.51 0.00 0.00 37.83 34.80 1g44 s LYS 64 CO 0.00 -0.61 0.89 1.03 -0.36 0.00 0.00 175.35 176.29 1g44 s ARG 65 N 2.13 0.55 0.41 4.03 0.52 -1.26 -5.02 118.95 120.31 1g44 s ARG 65 Ca 0.02 0.83 0.08 0.00 -0.52 0.00 0.00 55.73 56.14 1g44 s ARG 65 Cb -0.15 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.46 1g44 s ARG 65 CO -0.08 -0.10 0.32 1.03 0.02 0.00 0.00 175.30 176.49 1g44 s ARG 66 N 1.03 2.47 0.13 3.54 3.00 -1.26 -3.17 118.95 124.69 1g44 s ARG 66 Ca -0.05 -1.58 -0.20 0.00 0.00 0.00 0.00 55.73 53.89 1g44 s ARG 66 Cb -0.04 -2.29 -0.07 0.00 0.00 0.00 0.00 34.95 32.54 1g44 s ARG 66 CO -0.12 -0.14 0.64 0.00 0.00 0.00 0.00 175.30 175.68 1g44 s PRO 68 N -1.40 -1.40 0.47 0.00 0.04 -1.26 -4.78 135.00 126.67 1g44 s PRO 68 Ca 0.34 -0.24 -0.24 0.00 0.04 0.00 0.00 61.00 60.90 1g44 s PRO 68 Cb -0.19 -1.59 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 1g44 s PRO 68 CO 0.21 -3.80 1.38 -1.54 0.04 0.00 0.00 177.00 173.29 1g44 s SER 69 N -4.11 5.81 0.16 6.66 1.04 -1.26 -4.88 113.70 117.12 1g44 s SER 69 Ca 0.73 2.82 -0.31 0.00 0.48 0.00 0.00 55.95 59.66 1g44 s SER 69 Cb -0.07 -2.64 -0.09 0.00 0.10 0.00 0.00 66.02 63.32 1g44 s SER 69 CO 0.55 -1.21 1.43 -2.16 0.98 0.00 0.00 173.24 172.83 1g44 s PRO 70 N -2.54 4.29 0.44 4.02 0.04 -1.26 -4.93 135.00 135.06 1g44 s PRO 70 Ca 0.63 2.18 -0.23 0.00 0.04 0.00 0.00 61.00 63.62 1g44 s PRO 70 Cb -0.41 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 30.83 1g44 s PRO 70 CO 0.52 -0.45 0.90 2.89 0.04 0.00 0.00 177.00 180.90 1g44 n ARG 71 N 3.52 1.13 -2.63 4.56 0.00 -1.26 -4.95 116.66 117.03 1g44 n ARG 71 Ca 0.11 0.41 -0.25 0.00 -0.00 0.00 0.00 57.85 58.12 1g44 n ARG 71 Cb 0.41 -1.94 -0.01 0.00 -0.00 0.00 0.00 32.46 30.92 1g44 n ARG 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1g44 n ASP 72 N 0.51 4.17 -4.74 2.89 9.92 -1.26 -4.95 116.55 123.09 1g44 n ASP 72 Ca 0.10 -3.58 -0.36 0.00 -0.53 0.00 0.00 54.79 50.42 1g44 n ASP 72 Cb 0.40 -0.50 0.06 0.00 -0.64 0.00 0.00 41.12 40.44 1g44 n ASP 72 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1g44 s ILE 73 N -4.93 2.29 -1.33 0.53 1.10 -1.26 -5.04 121.20 112.56 1g44 s ILE 73 Ca 0.46 0.18 -0.14 0.00 -0.51 0.00 0.00 60.65 60.63 1g44 s ILE 73 Cb 0.38 -3.05 -0.02 0.00 0.15 0.00 0.00 42.46 39.92 1g44 s ILE 73 CO -0.15 -0.04 2.28 0.47 -2.11 0.00 0.00 174.94 175.39 1g44 n ASP 74 N -1.84 4.43 0.00 4.50 8.00 -1.26 -4.91 116.55 125.47 1g44 n ASP 74 Ca 0.15 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.91 1g44 n ASP 74 Cb 0.49 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1g44 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g44 n GLY 76 N 4.08 2.07 2.97 0.44 0.00 -1.26 -4.92 105.19 108.57 1g44 n GLY 76 Ca 0.55 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 1g44 n GLY 76 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g44 s GLN 77 N -3.74 0.94 -0.15 1.61 -0.21 -0.38 -4.90 119.66 112.84 1g44 s GLN 77 Ca 0.00 -0.25 -0.08 0.00 0.02 0.00 0.00 55.36 55.05 1g44 s GLN 77 Cb 0.00 -0.88 -0.04 0.00 1.00 0.00 0.00 33.01 33.09 1g44 s GLN 77 CO 0.00 0.06 0.13 -0.48 -2.12 0.00 0.00 175.29 172.88 1g44 s LEU 78 N 0.39 4.29 -0.74 2.90 -0.00 -1.26 -0.43 118.68 123.83 1g44 s LEU 78 Ca -0.06 0.37 0.03 0.00 -0.00 0.00 0.00 54.13 54.48 1g44 s LEU 78 Cb -0.10 -2.07 0.28 0.00 -0.00 0.00 0.00 46.19 44.30 1g44 s LEU 78 CO 0.01 0.33 0.99 0.47 -0.00 0.00 0.00 176.35 178.14 1g44 n ASP 79 N 2.54 4.62 0.00 1.48 8.00 -1.25 -4.81 116.55 127.13 1g44 n ASP 79 Ca -0.19 -3.49 0.00 0.00 0.71 0.00 0.00 54.79 51.82 1g44 n ASP 79 Cb 0.54 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1g44 n ASP 79 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1g44 n ILE 80 N 0.72 0.00 0.00 0.53 2.08 -1.26 -5.00 119.36 116.43 1g44 n ILE 80 Ca 0.30 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.61 1g44 n ILE 80 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.27 1g44 n ILE 80 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1g44 n GLY 81 N 0.00 1.77 3.47 7.39 0.00 -1.26 -5.15 105.19 111.41 1g44 n GLY 81 Ca 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1g44 n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g44 s GLY 82 N 0.00 1.52 0.18 -0.02 0.00 -1.26 -4.80 107.32 102.94 1g44 s GLY 82 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 1g44 s GLY 82 CO 0.00 -0.79 0.07 0.54 0.00 0.00 0.00 173.10 172.92 1g44 s VAL 83 N -0.74 0.25 0.00 1.40 0.11 -1.26 -5.09 120.40 115.07 1g44 s VAL 83 Ca 0.12 -1.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.20 1g44 s VAL 83 Cb -0.11 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1g44 s VAL 83 CO 0.01 -0.26 0.00 0.47 -3.33 0.00 0.00 175.10 171.98 1g44 n ASP 84 N -0.23 0.00 0.00 3.54 8.00 -1.26 -4.15 116.55 122.45 1g44 n ASP 84 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1g44 n ASP 84 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1g44 n ASP 84 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1g44 n PHE 85 N -0.27 0.00 -3.87 1.24 -0.00 -1.26 -0.43 117.46 112.87 1g44 n PHE 85 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 1g44 n PHE 85 Cb 0.00 0.09 -0.14 0.00 -0.00 0.00 0.00 39.48 39.43 1g44 n PHE 85 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1g44 s GLY 86 N 0.00 2.25 -0.30 7.13 0.00 -1.26 -4.70 107.32 110.44 1g44 s GLY 86 Ca 0.00 -3.11 -0.27 0.00 0.00 0.00 0.00 44.72 41.34 1g44 s GLY 86 CO 0.00 1.18 1.43 -1.35 0.00 0.00 0.00 173.10 174.36 1g44 s SER 87 N -0.18 -0.02 -0.23 1.64 1.04 -1.26 -5.08 113.70 109.60 1g44 s SER 87 Ca 0.18 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.58 1g44 s SER 87 Cb -0.24 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 1g44 s SER 87 CO -0.01 -0.01 0.02 -0.94 0.98 0.00 0.00 173.24 173.28 1g44 s SER 88 N -0.47 4.84 -0.19 7.02 1.04 -1.26 -4.57 113.70 120.11 1g44 s SER 88 Ca 0.09 -0.25 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 1g44 s SER 88 Cb -0.03 -1.85 -0.05 0.00 0.10 0.00 0.00 66.02 64.19 1g44 s SER 88 CO -0.13 0.00 0.27 0.27 0.98 0.00 0.00 173.24 174.64 1g44 s ILE 89 N 1.38 5.31 -0.05 -1.02 -0.00 0.09 -4.91 121.20 122.00 1g44 s ILE 89 Ca 0.05 0.48 -0.14 0.00 -0.00 0.00 0.00 60.65 61.04 1g44 s ILE 89 Cb -0.15 -3.61 -0.05 0.00 -0.00 0.00 0.00 42.46 38.65 1g44 s ILE 89 CO 0.01 0.36 0.35 -0.89 -0.00 0.00 0.00 174.94 174.77 1g44 s THR 90 N 0.73 5.15 -0.17 8.37 2.01 -1.26 -0.72 115.64 129.75 1g44 s THR 90 Ca 0.15 0.71 -0.12 0.00 0.31 0.00 0.00 61.69 62.74 1g44 s THR 90 Cb -0.13 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1g44 s THR 90 CO 0.04 0.55 0.21 -0.31 -0.69 0.00 0.00 174.62 174.42 1g44 s TYR 91 N -0.79 3.46 -0.17 4.92 1.51 -1.26 -3.95 117.35 121.07 1g44 s TYR 91 Ca 0.22 0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 56.72 1g44 s TYR 91 Cb -0.15 -2.22 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1g44 s TYR 91 CO 0.10 0.32 -0.00 -1.54 -1.11 0.00 0.00 175.55 173.33 1g44 s SER 92 N 0.22 5.05 0.29 2.29 1.04 0.43 -4.88 113.70 118.13 1g44 s SER 92 Ca 0.13 -0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.57 1g44 s SER 92 Cb -0.12 -1.84 -0.06 0.00 0.10 0.00 0.00 66.02 64.10 1g44 s SER 92 CO 0.02 0.15 -0.12 0.00 0.98 0.00 0.00 173.24 174.26 1g44 s ASN 94 N -3.49 6.54 -0.54 0.00 -0.87 -1.26 -4.98 114.94 110.34 1g44 s ASN 94 Ca 0.29 0.63 -0.42 0.00 -1.57 0.00 0.00 52.86 51.79 1g44 s ASN 94 Cb 0.00 -2.12 -0.19 0.00 -0.02 0.00 0.00 41.25 38.92 1g44 s ASN 94 CO 0.13 0.29 2.19 -1.54 -2.57 0.00 0.00 177.10 175.61 1g44 n SER 95 N 1.41 0.76 0.00 -1.22 3.41 -1.26 -3.88 113.62 112.84 1g44 n SER 95 Ca -0.13 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1g44 n SER 95 Cb 0.53 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1g44 n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g44 n GLY 96 N 7.37 -1.03 3.47 5.00 0.00 -1.26 -4.07 105.19 114.68 1g44 n GLY 96 Ca 0.55 0.38 -0.44 0.00 0.00 0.00 0.00 46.02 46.51 1g44 n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1g44 n TYR 97 N 0.00 -0.04 -4.69 1.61 4.02 -1.25 -4.95 117.16 111.85 1g44 n TYR 97 Ca 0.00 0.72 -0.33 0.00 -0.01 0.00 0.00 57.90 58.28 1g44 n TYR 97 Cb 0.00 -2.05 -0.12 0.00 -0.02 0.00 0.00 39.34 37.15 1g44 n TYR 97 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1g44 s HIS 98 N -1.25 2.83 0.05 -0.72 3.76 0.43 -4.72 115.29 115.67 1g44 s HIS 98 Ca 0.62 -0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 55.17 1g44 s HIS 98 Cb -0.71 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.27 1g44 s HIS 98 CO 0.58 0.29 1.19 -0.51 -0.85 0.00 0.00 174.74 175.44 1g44 s LEU 99 N -0.90 4.36 -0.60 0.89 1.43 -1.26 -0.43 118.68 122.17 1g44 s LEU 99 Ca 0.13 1.99 -0.13 0.00 -1.03 0.00 0.00 54.13 55.08 1g44 s LEU 99 Cb -0.11 -3.58 0.15 0.00 0.03 0.00 0.00 46.19 42.69 1g44 s LEU 99 CO 0.02 -0.48 0.53 -0.63 0.23 0.00 0.00 176.35 176.03 1g44 s ILE 100 N 1.18 5.01 0.00 -0.59 1.01 -0.55 -4.90 121.20 122.37 1g44 s ILE 100 Ca 0.58 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 59.33 1g44 s ILE 100 Cb -0.29 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 37.98 1g44 s ILE 100 CO 0.28 -0.89 0.00 0.61 0.00 0.00 0.00 174.94 174.94 1g44 n GLY 101 N 4.74 1.21 3.75 6.18 0.00 -1.26 -4.15 105.19 115.66 1g44 n GLY 101 Ca -0.04 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 1g44 n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g44 s GLU 102 N -1.35 3.25 -0.83 1.61 -6.30 -1.26 -4.93 118.70 108.89 1g44 s GLU 102 Ca 0.00 2.11 -0.12 0.00 -2.50 0.00 0.00 54.97 54.46 1g44 s GLU 102 Cb 0.00 -2.27 0.22 0.00 0.00 0.00 0.00 34.13 32.08 1g44 s GLU 102 CO 0.00 -1.06 0.76 0.45 0.02 0.00 0.00 175.26 175.43 1g44 s SER 103 N -1.08 6.61 0.00 -1.70 0.15 -1.26 -4.73 113.70 111.69 1g44 s SER 103 Ca 0.70 -2.82 0.00 0.00 0.70 0.00 0.00 55.95 54.54 1g44 s SER 103 Cb -0.37 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1g44 s SER 103 CO 0.44 -0.51 0.00 0.29 1.20 0.00 0.00 173.24 174.66 1g44 n LYS 104 N 3.76 0.00 -4.96 5.44 5.02 -1.26 -4.96 118.16 121.20 1g44 n LYS 104 Ca 0.14 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.11 1g44 n LYS 104 Cb 0.45 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.32 1g44 n LYS 104 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1g44 s SER 105 N 0.00 3.78 0.16 4.39 0.01 0.10 -4.90 113.70 117.24 1g44 s SER 105 Ca 0.00 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.02 1g44 s SER 105 Cb 0.00 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 1g44 s SER 105 CO 0.00 0.29 -0.14 -0.31 0.41 0.00 0.00 173.24 173.49 1g44 s TYR 106 N -0.38 1.53 -0.02 2.43 1.51 -1.26 -0.73 117.35 120.44 1g44 s TYR 106 Ca 0.04 -0.59 -0.25 0.00 -1.01 0.00 0.00 57.07 55.26 1g44 s TYR 106 Cb -0.12 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1g44 s TYR 106 CO 0.02 0.23 0.77 0.00 -1.11 0.00 0.00 175.55 175.46 1g44 n GLU 108 N 3.45 1.98 -3.15 0.00 -0.58 -0.91 -4.80 120.64 116.64 1g44 n GLU 108 Ca -0.01 0.72 -0.39 0.00 -0.42 0.00 0.00 57.16 57.06 1g44 n GLU 108 Cb 0.51 -2.51 -0.06 0.00 -0.57 0.00 0.00 31.44 28.81 1g44 n GLU 108 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1g44 s LEU 109 N 2.69 4.21 0.00 -4.62 0.05 -1.26 -4.43 118.68 115.32 1g44 s LEU 109 Ca 0.88 0.91 0.00 0.00 0.05 0.00 0.00 54.13 55.97 1g44 s LEU 109 Cb -0.75 -2.89 0.00 0.00 -2.05 0.00 0.00 46.19 40.50 1g44 s LEU 109 CO 0.48 -0.17 0.00 0.61 -0.55 0.00 0.00 176.35 176.72 1g44 n GLY 110 N 3.52 0.00 0.04 -3.48 0.00 -1.26 -4.99 105.19 99.02 1g44 n GLY 110 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1g44 n GLY 110 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1g44 h THR 112 N 0.00 0.00 0.00 2.61 2.02 -1.78 -1.69 112.91 114.07 1g44 h THR 112 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1g44 h THR 112 Cb 0.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1g44 h THR 112 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1g44 n GLY 113 N 1.78 0.00 0.00 2.16 0.00 -0.82 -4.73 105.19 103.58 1g44 n GLY 113 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g44 n GLY 113 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1g44 n SER 114 N 0.00 0.00 0.00 1.61 7.64 -1.19 -4.37 113.62 117.31 1g44 n SER 114 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1g44 n SER 114 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1g44 n SER 114 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1g44 n MET 115 N -0.64 0.00 -2.57 1.43 0.00 -1.26 -4.80 117.12 109.29 1g44 n MET 115 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.39 1g44 n MET 115 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1g44 n MET 115 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1g44 s VAL 116 N -1.83 4.64 0.95 1.12 1.01 -1.26 -4.72 120.40 120.31 1g44 s VAL 116 Ca 0.00 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 1g44 s VAL 116 Cb 0.00 -3.73 0.16 0.00 0.00 0.00 0.00 36.38 32.81 1g44 s VAL 116 CO 0.00 -0.63 1.09 0.26 0.00 0.00 0.00 175.10 175.82 1g44 s TRP 117 N -2.54 2.16 0.00 5.22 0.52 -1.26 -2.14 118.94 120.90 1g44 s TRP 117 Ca 0.56 1.18 0.00 0.00 0.02 0.00 0.00 56.10 57.85 1g44 s TRP 117 Cb -0.10 -3.20 0.00 0.00 -1.15 0.00 0.00 33.47 29.02 1g44 s TRP 117 CO 0.32 -2.68 0.00 -1.71 0.02 0.00 0.00 176.95 172.90 1g44 n ASN 118 N -4.06 0.00 -4.66 2.95 2.85 0.10 -4.54 115.26 107.89 1g44 n ASN 118 Ca 0.06 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.11 1g44 n ASN 118 Cb 0.56 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.55 1g44 n ASN 118 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1g44 s PRO 119 N 0.13 4.18 0.00 1.20 0.04 -1.26 -4.72 135.00 134.56 1g44 s PRO 119 Ca 0.00 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1g44 s PRO 119 Cb 0.00 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1g44 s PRO 119 CO 0.00 -0.85 0.00 -1.91 0.04 0.00 0.00 177.00 174.28 1g44 n GLU 120 N 7.05 2.14 -0.06 4.56 0.00 -1.26 -4.89 120.64 128.19 1g44 n GLU 120 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.20 1g44 n GLU 120 Cb 0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 31.44 31.51 1g44 n GLU 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g44 h ALA 121 N 0.00 0.50 -2.71 4.31 0.00 -1.94 -3.45 119.26 115.97 1g44 h ALA 121 Ca 0.00 -0.52 -0.52 0.00 0.00 0.00 0.00 54.91 53.87 1g44 h ALA 121 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1g44 h ALA 121 CO 0.00 0.68 0.22 -1.25 0.00 0.00 0.00 179.25 178.90 1g44 s PRO 122 N -4.08 4.62 0.40 0.00 0.04 -1.26 -5.08 135.00 129.64 1g44 s PRO 122 Ca -0.10 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.24 1g44 s PRO 122 Cb 0.10 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 1g44 s PRO 122 CO 0.88 0.50 0.16 0.42 0.04 0.00 0.00 177.00 179.00 1g44 s ILE 123 N -0.93 2.38 -0.48 0.56 1.09 -1.26 -4.80 121.20 117.75 1g44 s ILE 123 Ca 0.38 -1.73 -0.21 0.00 -1.10 0.00 0.00 60.65 57.99 1g44 s ILE 123 Cb -0.23 -2.98 0.04 0.00 -1.06 0.00 0.00 42.46 38.23 1g44 s ILE 123 CO 0.27 -0.03 0.70 0.00 -0.10 0.00 0.00 174.94 175.78 1g44 s GLU 125 N 2.99 1.03 -0.07 0.00 2.12 0.42 -4.68 118.70 120.51 1g44 s GLU 125 Ca 0.22 -0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.37 1g44 s GLU 125 Cb -0.15 0.48 0.01 0.00 0.26 0.00 0.00 34.13 34.73 1g44 s GLU 125 CO 0.17 -0.40 0.11 0.28 -0.54 0.00 0.00 175.26 174.88 1g44 n VAL 127 N 0.23 -2.13 -3.57 3.70 0.31 -1.26 -0.43 118.33 115.18 1g44 n VAL 127 Ca -0.15 0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 64.45 1g44 n VAL 127 Cb 0.61 -2.83 -0.04 0.00 -0.91 0.00 0.00 33.84 30.67 1g44 n VAL 127 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1g44 s LYS 128 N -1.15 1.12 0.00 5.55 0.00 -1.26 -3.92 119.74 120.08 1g44 s LYS 128 Ca 0.06 -0.57 0.07 0.00 0.00 0.00 0.00 55.97 55.53 1g44 s LYS 128 Cb -0.01 0.50 -0.02 0.00 0.00 0.00 0.00 37.83 38.31 1g44 s LYS 128 CO 0.14 -0.45 -0.21 0.00 0.00 0.00 0.00 175.35 174.84 1g44 n GLN 130 N 2.36 0.99 -2.50 0.00 6.02 -1.26 -4.16 117.38 118.83 1g44 n GLN 130 Ca -0.16 -2.22 -0.43 0.00 -0.01 0.00 0.00 57.00 54.18 1g44 n GLN 130 Cb 0.53 0.28 -0.02 0.00 1.02 0.00 0.00 30.24 32.04 1g44 n GLN 130 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1g44 s SER 131 N -3.04 7.04 -0.10 1.08 0.15 -1.26 -4.49 113.70 113.09 1g44 s SER 131 Ca 0.18 1.69 -0.41 0.00 0.70 0.00 0.00 55.95 58.11 1g44 s SER 131 Cb -0.01 -2.55 -0.19 0.00 -1.71 0.00 0.00 66.02 61.56 1g44 s SER 131 CO 0.11 -0.64 1.29 -2.65 1.20 0.00 0.00 173.24 172.55 1g44 n PRO 132 N 5.77 0.36 -2.16 5.44 -0.02 -1.26 -4.93 135.00 138.21 1g44 n PRO 132 Ca 0.12 0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 61.34 1g44 n PRO 132 Cb 0.46 -1.68 -0.01 0.00 -0.02 0.00 0.00 33.50 32.25 1g44 n PRO 132 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1g44 s PRO 133 N 0.98 4.06 0.15 0.52 0.04 -1.26 -4.94 135.00 134.55 1g44 s PRO 133 Ca 0.93 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.70 1g44 s PRO 133 Cb -1.22 -2.77 -0.08 0.00 0.04 0.00 0.00 34.50 30.46 1g44 s PRO 133 CO 0.60 -0.38 1.29 -1.54 0.04 0.00 0.00 177.00 177.02 1g44 s SER 134 N -0.86 6.94 0.84 6.66 1.04 -1.26 -4.97 113.70 122.08 1g44 s SER 134 Ca 0.56 2.29 -0.05 0.00 0.48 0.00 0.00 55.95 59.23 1g44 s SER 134 Cb -0.35 -2.60 0.10 0.00 0.10 0.00 0.00 66.02 63.27 1g44 s SER 134 CO 0.45 -0.52 0.64 2.30 0.98 0.00 0.00 173.24 177.09 1g44 n ILE 135 N 3.15 0.00 0.00 -1.02 -5.35 -1.26 -5.03 119.36 109.85 1g44 n ILE 135 Ca 0.08 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 1g44 n ILE 135 Cb 0.43 -1.51 0.00 0.00 -1.74 0.00 0.00 39.64 36.83 1g44 n ILE 135 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1g44 n SER 136 N -3.26 0.00 -3.41 7.28 7.64 -1.26 -4.02 113.62 116.59 1g44 n SER 136 Ca 0.09 0.84 -0.26 0.00 1.01 0.00 0.00 58.87 60.54 1g44 n SER 136 Cb 0.31 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 1g44 n SER 136 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1g44 n ASN 137 N -1.93 2.40 -3.50 6.43 4.13 -1.26 -5.06 115.26 116.48 1g44 n ASN 137 Ca 0.00 -3.14 -0.13 0.00 1.68 0.00 0.00 54.58 52.99 1g44 n ASN 137 Cb 0.00 -0.66 -0.04 0.00 -1.54 0.00 0.00 39.78 37.54 1g44 n ASN 137 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1g44 s GLY 138 N -1.85 -0.52 0.37 7.41 0.00 -1.26 -4.27 107.32 107.20 1g44 s GLY 138 Ca 0.36 0.51 0.08 0.00 0.00 0.00 0.00 44.72 45.68 1g44 s GLY 138 CO -0.07 0.20 0.07 0.50 0.00 0.00 0.00 173.10 173.80 1g44 s ARG 139 N -3.21 2.13 -0.13 2.90 3.00 -0.38 -4.05 118.95 119.21 1g44 s ARG 139 Ca -0.01 -1.80 0.03 0.00 0.00 0.00 0.00 55.73 53.94 1g44 s ARG 139 Cb -0.00 -1.93 0.01 0.00 0.00 0.00 0.00 34.95 33.03 1g44 s ARG 139 CO -0.08 0.04 -0.22 -3.38 0.00 0.00 0.00 175.30 171.66 1g44 s HIS 140 N -2.56 2.66 -0.09 -0.53 -3.43 -1.26 -0.43 115.29 109.65 1g44 s HIS 140 Ca 0.37 -1.25 0.03 0.00 -0.80 0.00 0.00 55.06 53.41 1g44 s HIS 140 Cb 0.02 -1.80 0.01 0.00 -1.43 0.00 0.00 32.58 29.38 1g44 s HIS 140 CO 0.20 -0.56 -0.19 -0.80 -2.00 0.00 0.00 174.74 171.39 1g44 s ASN 141 N 0.71 2.55 0.17 7.38 0.01 -1.24 -4.91 114.94 119.61 1g44 s ASN 141 Ca -0.09 -0.45 -0.16 0.00 -0.71 0.00 0.00 52.86 51.44 1g44 s ASN 141 Cb -0.16 -1.17 0.03 0.00 0.41 0.00 0.00 41.25 40.36 1g44 s ASN 141 CO 0.01 0.10 0.47 -0.83 -1.51 0.00 0.00 177.10 175.34 1g44 s GLY 142 N 0.49 -0.11 0.01 0.66 0.00 -1.26 -4.43 107.32 102.68 1g44 s GLY 142 Ca -0.17 -0.21 -0.26 0.00 0.00 0.00 0.00 44.72 44.09 1g44 s GLY 142 CO 0.06 -0.31 1.08 -0.97 0.00 0.00 0.00 173.10 172.97 1g44 h TYR 143 N 2.27 -0.87 -1.70 1.90 0.05 -1.99 -3.46 116.97 113.17 1g44 h TYR 143 Ca -0.31 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.45 1g44 h TYR 143 Cb 1.26 0.29 0.00 0.00 1.01 0.00 0.00 36.73 39.29 1g44 h TYR 143 CO 0.34 -0.54 0.00 -0.85 -1.05 0.00 0.00 178.16 176.06 1g44 n GLU 144 N -5.36 3.65 0.00 4.88 0.00 -1.26 -5.15 120.64 117.40 1g44 n GLU 144 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 1g44 n GLU 144 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.81 1g44 n GLU 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1g44 n ASP 145 N 0.00 0.00 -4.69 -1.84 8.00 -1.26 -4.98 116.55 111.78 1g44 n ASP 145 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1g44 n ASP 145 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1g44 n ASP 145 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1g44 s PHE 146 N 2.58 2.10 -0.86 1.24 0.08 -1.26 -4.82 117.98 117.04 1g44 s PHE 146 Ca 0.00 -0.00 -0.04 0.00 0.12 0.00 0.00 56.93 57.01 1g44 s PHE 146 Cb 0.00 -4.14 0.21 0.00 -0.57 0.00 0.00 43.02 38.52 1g44 s PHE 146 CO 0.00 -4.73 0.75 0.71 -0.10 0.00 0.00 175.22 171.85 1g44 s TYR 147 N 2.93 3.83 0.00 0.36 1.51 -1.26 -5.00 117.35 119.73 1g44 s TYR 147 Ca 0.80 -2.86 0.00 0.00 -1.01 0.00 0.00 57.07 54.00 1g44 s TYR 147 Cb -0.44 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.07 1g44 s TYR 147 CO 0.36 -0.80 0.00 0.25 -1.11 0.00 0.00 175.55 174.25 1g44 n THR 148 N 2.70 0.00 0.00 -0.71 -2.24 -1.26 -4.59 114.28 108.18 1g44 n THR 148 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1g44 n THR 148 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1g44 n THR 148 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1g44 n ASP 149 N 1.99 0.00 -4.64 3.42 2.03 -1.26 -0.44 116.55 117.64 1g44 n ASP 149 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1g44 n ASP 149 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1g44 n ASP 149 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1g44 s GLY 150 N 0.00 1.13 0.20 0.27 0.00 -1.18 -4.72 107.32 103.02 1g44 s GLY 150 Ca 0.00 1.10 -0.13 0.00 0.00 0.00 0.00 44.72 45.69 1g44 s GLY 150 CO 0.00 3.56 0.44 -1.35 0.00 0.00 0.00 173.10 175.75 1g44 s SER 151 N 5.71 -0.12 -0.20 1.64 1.04 -1.26 -5.04 113.70 115.48 1g44 s SER 151 Ca 0.92 -0.74 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 1g44 s SER 151 Cb -0.39 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 1g44 s SER 151 CO 0.39 -1.04 0.20 -0.69 0.98 0.00 0.00 173.24 173.08 1g44 s VAL 152 N -3.95 5.35 -0.10 5.02 1.01 -1.26 -4.18 120.40 122.29 1g44 s VAL 152 Ca 0.16 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 1g44 s VAL 152 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1g44 s VAL 152 CO 0.02 0.38 -0.04 -0.69 0.00 0.00 0.00 175.10 174.77 1g44 s VAL 153 N 0.70 3.95 -0.04 2.92 1.01 0.10 -4.86 120.40 124.18 1g44 s VAL 153 Ca 0.11 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1g44 s VAL 153 Cb -0.13 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1g44 s VAL 153 CO 0.02 0.56 -0.20 -0.89 0.00 0.00 0.00 175.10 174.59 1g44 s THR 154 N -0.41 2.56 0.21 3.92 2.01 -1.26 -0.72 115.64 121.94 1g44 s THR 154 Ca 0.07 -0.92 0.11 0.00 0.31 0.00 0.00 61.69 61.26 1g44 s THR 154 Cb -0.12 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1g44 s THR 154 CO 0.02 0.58 -0.23 -0.31 -0.69 0.00 0.00 174.62 174.00 1g44 s TYR 155 N -0.65 2.26 0.32 4.92 1.51 -1.26 -3.69 117.35 120.76 1g44 s TYR 155 Ca 0.10 -0.36 0.10 0.00 -1.01 0.00 0.00 57.07 55.90 1g44 s TYR 155 Cb -0.10 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.60 1g44 s TYR 155 CO -0.00 0.54 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.73 1g44 s SER 156 N -2.87 3.72 0.28 2.29 0.01 0.43 -4.86 113.70 112.71 1g44 s SER 156 Ca 0.23 -1.13 0.04 0.00 1.31 0.00 0.00 55.95 56.39 1g44 s SER 156 Cb -0.07 -0.35 -0.06 0.00 0.21 0.00 0.00 66.02 65.75 1g44 s SER 156 CO 0.11 -0.13 0.03 0.00 0.41 0.00 0.00 173.24 173.66 1g44 s ASN 158 N -3.40 7.06 -0.91 0.00 0.01 -1.26 -4.84 114.94 111.61 1g44 s ASN 158 Ca 0.33 1.34 -0.19 0.00 -0.71 0.00 0.00 52.86 53.63 1g44 s ASN 158 Cb 0.07 -2.39 -0.24 0.00 0.41 0.00 0.00 41.25 39.10 1g44 s ASN 158 CO 0.13 0.14 2.36 -1.20 -1.51 0.00 0.00 177.10 177.02 1g44 n SER 159 N 1.15 -0.01 0.00 -1.22 7.64 -1.26 -2.78 113.62 117.14 1g44 n SER 159 Ca -0.06 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1g44 n SER 159 Cb 0.51 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1g44 n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g44 n GLY 160 N 6.05 0.68 3.30 0.23 0.00 -1.26 -5.15 105.19 109.04 1g44 n GLY 160 Ca 0.60 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 1g44 n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g44 s TYR 161 N -0.50 -0.21 0.09 1.61 1.51 -1.12 -4.82 117.35 113.92 1g44 s TYR 161 Ca 0.00 0.13 0.03 0.00 -1.01 0.00 0.00 57.07 56.23 1g44 s TYR 161 Cb 0.00 0.18 -0.04 0.00 -0.11 0.00 0.00 41.96 41.99 1g44 s TYR 161 CO 0.00 -0.55 -0.10 -1.12 -1.11 0.00 0.00 175.55 172.67 1g44 s SER 162 N -2.03 1.38 -0.08 2.29 0.01 0.43 -4.86 113.70 110.83 1g44 s SER 162 Ca -0.05 -0.81 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 1g44 s SER 162 Cb -0.01 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1g44 s SER 162 CO -0.03 -0.27 0.27 -0.76 0.41 0.00 0.00 173.24 172.86 1g44 s LEU 163 N -2.43 4.40 -0.21 2.44 2.01 -1.26 -0.43 118.68 123.20 1g44 s LEU 163 Ca 0.05 0.67 -0.02 0.00 0.01 0.00 0.00 54.13 54.83 1g44 s LEU 163 Cb -0.03 -2.32 -0.00 0.00 0.01 0.00 0.00 46.19 43.85 1g44 s LEU 163 CO -0.00 0.32 -0.09 -0.63 1.01 0.00 0.00 176.35 176.96 1g44 s ILE 164 N -0.79 3.01 0.00 -0.59 -1.09 -0.55 -4.03 121.20 117.16 1g44 s ILE 164 Ca 0.18 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1g44 s ILE 164 Cb -0.14 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1g44 s ILE 164 CO 0.08 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 1g44 n GLY 165 N 4.74 1.09 0.00 6.18 0.00 -1.26 -2.78 105.19 113.16 1g44 n GLY 165 Ca -0.19 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1g44 n GLY 165 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g44 n ASN 166 N -0.37 0.00 -2.69 1.61 5.15 -1.26 -4.88 115.26 112.83 1g44 n ASN 166 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 1g44 n ASN 166 Cb 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.37 1g44 n ASN 166 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1g44 n SER 167 N -0.14 -1.73 0.00 1.20 3.41 -1.26 -4.93 113.62 110.17 1g44 n SER 167 Ca 0.00 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1g44 n SER 167 Cb 0.00 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1g44 n SER 167 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g44 n GLY 168 N -0.95 4.38 3.74 5.00 0.00 -1.26 -4.96 105.19 111.14 1g44 n GLY 168 Ca -0.08 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1g44 n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g44 s VAL 169 N -2.00 5.33 -0.07 1.61 1.01 0.10 -4.82 120.40 121.57 1g44 s VAL 169 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1g44 s VAL 169 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1g44 s VAL 169 CO 0.00 0.48 -0.13 -0.22 0.00 0.00 0.00 175.10 175.23 1g44 s LEU 170 N 0.11 2.80 -0.03 3.92 2.96 -1.26 -0.72 118.68 126.45 1g44 s LEU 170 Ca 0.09 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1g44 s LEU 170 Cb -0.11 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.00 1g44 s LEU 170 CO -0.01 0.31 -0.08 0.00 -1.32 0.00 0.00 176.35 175.26 1g44 n SER 172 N 3.53 0.19 0.00 0.00 2.88 -1.25 -3.13 113.62 115.85 1g44 n SER 172 Ca -0.20 -3.08 0.00 0.00 -1.33 0.00 0.00 58.87 54.25 1g44 n SER 172 Cb 0.53 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1g44 n SER 172 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g44 n GLY 173 N 0.22 0.63 0.00 0.46 0.00 -1.26 -4.91 105.19 100.32 1g44 n GLY 173 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1g44 n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g44 n GLY 174 N 0.00 0.60 3.64 -0.02 0.00 -0.53 -3.99 105.19 104.90 1g44 n GLY 174 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 1g44 n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g44 s GLU 175 N -0.87 0.32 -0.22 1.61 2.02 -1.26 -5.08 118.70 115.22 1g44 s GLU 175 Ca 0.00 0.48 -0.08 0.00 0.02 0.00 0.00 54.97 55.38 1g44 s GLU 175 Cb 0.00 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 1g44 s GLU 175 CO 0.00 -0.05 0.10 -1.58 0.02 0.00 0.00 175.26 173.74 1g44 s TRP 176 N 0.83 3.23 -0.54 1.61 0.52 -1.26 -3.75 118.94 119.57 1g44 s TRP 176 Ca -0.04 0.00 0.06 0.00 0.02 0.00 0.00 56.10 56.15 1g44 s TRP 176 Cb -0.04 -2.19 0.21 0.00 -1.15 0.00 0.00 33.47 30.30 1g44 s TRP 176 CO -0.12 -0.01 0.53 -1.13 0.02 0.00 0.00 176.95 176.24 1g44 n SER 177 N 4.17 1.69 0.00 2.95 3.41 0.10 -4.84 113.62 121.10 1g44 n SER 177 Ca -0.16 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1g44 n SER 177 Cb 0.52 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1g44 n SER 177 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1g44 n ASP 178 N 1.72 0.00 -4.65 4.04 2.03 -1.26 -4.42 116.55 114.00 1g44 n ASP 178 Ca 0.25 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.13 1g44 n ASP 178 Cb 0.44 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.82 1g44 n ASP 178 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1g44 s PRO 179 N 0.00 4.19 -0.10 -0.67 0.04 -1.26 -4.67 135.00 132.53 1g44 s PRO 179 Ca 0.00 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 1g44 s PRO 179 Cb 0.00 -3.71 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 1g44 s PRO 179 CO 0.00 -0.74 0.85 -1.25 0.04 0.00 0.00 177.00 175.90 1g44 s PRO 180 N 3.44 4.41 -0.04 0.56 0.04 -1.26 -4.64 135.00 137.51 1g44 s PRO 180 Ca 0.48 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.69 1g44 s PRO 180 Cb -0.16 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 1g44 s PRO 180 CO 0.11 -0.16 -0.20 0.95 0.04 0.00 0.00 177.00 177.74 1g44 s THR 181 N 1.54 1.64 -0.43 1.26 -4.23 -1.12 -4.88 115.64 109.42 1g44 s THR 181 Ca 0.42 -0.85 -0.14 0.00 -1.18 0.00 0.00 61.69 59.94 1g44 s THR 181 Cb -0.18 -1.39 0.05 0.00 1.34 0.00 0.00 72.50 72.32 1g44 s THR 181 CO 0.18 0.47 0.33 0.00 -0.54 0.00 0.00 174.62 175.05 1g44 s GLN 183 N 1.62 1.61 -0.62 0.00 -1.52 0.43 -4.82 119.66 116.35 1g44 s GLN 183 Ca 0.04 -1.80 -0.14 0.00 -1.95 0.00 0.00 55.36 51.51 1g44 s GLN 183 Cb -0.22 -1.36 0.16 0.00 -0.22 0.00 0.00 33.01 31.37 1g44 s GLN 183 CO 0.07 0.12 0.56 0.42 -0.25 0.00 0.00 175.29 176.21 1g44 s ILE 184 N -2.85 5.16 -0.28 1.08 1.09 -1.26 -0.43 121.20 123.71 1g44 s ILE 184 Ca 0.29 -1.88 -0.15 0.00 -1.10 0.00 0.00 60.65 57.82 1g44 s ILE 184 Cb 0.02 -4.28 0.09 0.00 -1.06 0.00 0.00 42.46 37.23 1g44 s ILE 184 CO 0.13 -0.91 0.68 0.54 -0.10 0.00 0.00 174.94 175.28 1g44 s VAL 185 N 1.08 -0.18 -0.08 2.92 0.11 -1.26 -4.67 120.40 118.32 1g44 s VAL 185 Ca 0.08 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.16 1g44 s VAL 185 Cb -0.23 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.60 1g44 s VAL 185 CO -0.01 0.00 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.06 1g44 s LYS 186 N 1.87 2.85 -0.03 1.54 3.01 -1.26 -4.66 119.74 123.06 1g44 s LYS 186 Ca -0.09 -0.73 -0.29 0.00 -1.01 0.00 0.00 55.97 53.84 1g44 s LYS 186 Cb -0.06 -2.43 -0.03 0.00 -1.01 0.00 0.00 37.83 34.30 1g44 s LYS 186 CO -0.20 0.42 0.96 0.00 0.51 0.00 0.00 175.35 177.04 1g44 s PRO 188 N 1.24 2.90 -0.08 0.00 0.04 -1.26 -1.75 135.00 136.09 1g44 s PRO 188 Ca 0.50 -0.18 -0.37 0.00 0.04 0.00 0.00 61.00 60.99 1g44 s PRO 188 Cb -0.20 -2.35 -0.15 0.00 0.04 0.00 0.00 34.50 31.84 1g44 s PRO 188 CO 0.25 -0.62 1.64 0.72 0.04 0.00 0.00 177.00 179.02 1g44 n HIS 189 N -2.46 1.99 -1.77 0.56 8.25 -1.26 -4.88 115.22 115.64 1g44 n HIS 189 Ca 0.04 0.42 -0.41 0.00 -0.26 0.00 0.00 57.72 57.51 1g44 n HIS 189 Cb 0.58 -2.48 -0.02 0.00 1.12 0.00 0.00 29.99 29.20 1g44 n HIS 189 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1g44 s PRO 190 N 2.47 4.12 -0.38 -0.41 0.04 -1.26 -4.97 135.00 134.60 1g44 s PRO 190 Ca 0.91 2.58 -0.17 0.00 0.04 0.00 0.00 61.00 64.36 1g44 s PRO 190 Cb -0.91 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 30.61 1g44 s PRO 190 CO 0.54 -0.64 0.47 0.95 0.04 0.00 0.00 177.00 178.36 1g44 s THR 191 N 0.01 5.05 -0.08 1.26 -4.23 -1.26 -5.04 115.64 111.35 1g44 s THR 191 Ca 0.63 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 61.09 1g44 s THR 191 Cb -0.48 -3.98 0.02 0.00 1.34 0.00 0.00 72.50 69.40 1g44 s THR 191 CO 0.48 -0.30 0.25 -0.51 -0.54 0.00 0.00 174.62 174.00 1g44 s ILE 192 N 2.28 0.01 -0.08 2.99 2.07 -1.26 -4.66 121.20 122.56 1g44 s ILE 192 Ca 0.16 -0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.25 1g44 s ILE 192 Cb -0.16 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 1g44 s ILE 192 CO 0.14 -0.06 -0.08 0.28 -1.91 0.00 0.00 174.94 173.31 1g44 h SER 193 N 5.46 0.00 -4.19 4.50 0.02 -1.94 -3.44 113.55 113.96 1g44 h SER 193 Ca -0.27 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.05 1g44 h SER 193 Cb 1.19 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.32 1g44 h SER 193 CO 0.36 0.41 -0.65 0.20 -1.14 0.00 0.00 176.83 176.00 1g44 s ASN 194 N -4.73 4.19 0.00 3.07 0.01 -1.26 -5.00 114.94 111.22 1g44 s ASN 194 Ca -0.07 -2.95 0.00 0.00 -0.71 0.00 0.00 52.86 49.13 1g44 s ASN 194 Cb 0.01 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.15 1g44 s ASN 194 CO 0.10 -0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 1g44 n GLY 195 N 3.18 2.24 2.98 0.66 0.00 -1.26 -3.85 105.19 109.13 1g44 n GLY 195 Ca 0.06 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1g44 n GLY 195 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1g44 s TYR 196 N -1.58 0.67 -0.20 1.61 -0.85 -1.26 -4.90 117.35 110.84 1g44 s TYR 196 Ca 0.00 -0.14 -0.12 0.00 -0.52 0.00 0.00 57.07 56.30 1g44 s TYR 196 Cb 0.00 -0.46 -0.05 0.00 0.38 0.00 0.00 41.96 41.83 1g44 s TYR 196 CO 0.00 -0.04 0.21 -0.48 -1.52 0.00 0.00 175.55 173.72 1g44 s LEU 197 N -0.02 4.19 -0.41 -3.49 -0.00 -1.26 -4.55 118.68 113.14 1g44 s LEU 197 Ca 0.01 0.31 0.02 0.00 -0.00 0.00 0.00 54.13 54.46 1g44 s LEU 197 Cb -0.05 -2.21 0.14 0.00 -0.00 0.00 0.00 46.19 44.07 1g44 s LEU 197 CO -0.00 0.10 0.25 -0.55 -0.00 0.00 0.00 176.35 176.15 1g44 s SER 198 N 0.63 3.12 -0.30 1.48 0.15 -1.24 -4.86 113.70 112.67 1g44 s SER 198 Ca 0.11 -2.55 -0.07 0.00 0.70 0.00 0.00 55.95 54.15 1g44 s SER 198 Cb -0.12 -0.71 0.19 0.00 -1.71 0.00 0.00 66.02 63.66 1g44 s SER 198 CO 0.02 -0.26 0.93 -0.55 1.20 0.00 0.00 173.24 174.58 1g44 s SER 199 N 0.55 -0.71 -0.80 5.45 0.15 -1.26 -4.93 113.70 112.14 1g44 s SER 199 Ca 0.20 0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.87 1g44 s SER 199 Cb -0.19 1.38 -0.01 0.00 -1.71 0.00 0.00 66.02 65.49 1g44 s SER 199 CO -0.03 -0.12 0.71 0.61 1.20 0.00 0.00 173.24 175.61 1g44 n GLY 200 N 5.03 -1.23 3.86 9.45 0.00 -1.26 -4.83 105.19 116.20 1g44 n GLY 200 Ca 0.08 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.28 1g44 n GLY 200 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1g44 s PHE 201 N -3.06 3.40 -0.07 1.61 5.36 -1.26 -5.09 117.98 118.87 1g44 s PHE 201 Ca 0.07 1.11 -0.09 0.00 -0.96 0.00 0.00 56.93 57.06 1g44 s PHE 201 Cb -0.01 -2.46 -0.04 0.00 -0.34 0.00 0.00 43.02 40.17 1g44 s PHE 201 CO 0.78 0.10 -0.19 0.54 -1.46 0.00 0.00 175.22 174.99 1g44 n ARG 203 N -0.46 0.29 -4.73 10.12 1.74 -1.26 -5.18 116.66 117.17 1g44 n ARG 203 Ca 0.03 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.90 1g44 n ARG 203 Cb 0.53 -1.00 -0.17 0.00 -1.02 0.00 0.00 32.46 30.81 1g44 n ARG 203 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1g44 s SER 204 N -6.03 3.13 0.36 0.55 0.15 -1.26 -4.54 113.70 106.07 1g44 s SER 204 Ca -0.16 -0.60 0.05 0.00 0.70 0.00 0.00 55.95 55.95 1g44 s SER 204 Cb 0.03 -1.45 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 1g44 s SER 204 CO 0.23 0.09 0.52 -0.31 1.20 0.00 0.00 173.24 174.97 1g44 s TYR 205 N 0.76 3.11 0.00 3.44 2.02 -0.71 -5.01 117.35 120.96 1g44 s TYR 205 Ca -0.08 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1g44 s TYR 205 Cb -0.16 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1g44 s TYR 205 CO -0.01 -0.11 0.00 -1.13 -1.57 0.00 0.00 175.55 172.74 1g44 n SER 206 N -1.74 0.00 -3.68 2.29 3.41 -1.26 -2.06 113.62 110.58 1g44 n SER 206 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 1g44 n SER 206 Cb 0.58 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.81 1g44 n SER 206 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1g44 s TYR 207 N 0.52 -0.14 0.91 7.33 6.14 -1.26 -0.43 117.35 130.41 1g44 s TYR 207 Ca 0.00 0.68 -0.11 0.00 0.64 0.00 0.00 57.07 58.28 1g44 s TYR 207 Cb 0.00 -2.99 0.14 0.00 0.42 0.00 0.00 41.96 39.53 1g44 s TYR 207 CO 0.00 -4.68 1.10 0.54 0.64 0.00 0.00 175.55 173.15 1g44 s ASN 208 N -3.11 3.19 0.00 4.32 2.20 -1.26 -4.59 114.94 115.69 1g44 s ASN 208 Ca 0.69 1.82 0.00 0.00 -0.94 0.00 0.00 52.86 54.43 1g44 s ASN 208 Cb -0.15 -2.42 0.00 0.00 -2.00 0.00 0.00 41.25 36.68 1g44 s ASN 208 CO 0.59 -2.87 0.00 0.47 -2.94 0.00 0.00 177.10 172.35 1g44 n ASP 209 N -4.06 0.00 0.00 3.54 10.43 -1.26 -4.87 116.55 120.33 1g44 n ASP 209 Ca 0.09 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.45 1g44 n ASP 209 Cb 0.53 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.49 1g44 n ASP 209 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1g44 n ASN 210 N 0.00 0.00 -4.59 -2.24 2.85 0.10 -4.66 115.26 106.71 1g44 n ASN 210 Ca 0.00 0.00 -0.51 0.00 -0.11 0.00 0.00 54.58 53.96 1g44 n ASN 210 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1g44 n ASN 210 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1g44 n VAL 211 N 0.00 0.27 -3.80 3.44 0.24 -1.18 -0.73 118.33 116.57 1g44 n VAL 211 Ca 0.00 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.34 61.89 1g44 n VAL 211 Cb 0.00 -0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 31.45 1g44 n VAL 211 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1g44 s ASP 212 N 0.36 6.45 0.00 -1.34 1.11 -1.26 -1.36 116.67 120.63 1g44 s ASP 212 Ca 0.81 0.49 0.00 0.00 0.18 0.00 0.00 52.55 54.02 1g44 s ASP 212 Cb -0.91 -2.06 0.00 0.00 1.07 0.00 0.00 42.92 41.02 1g44 s ASP 212 CO 0.48 0.24 0.00 0.49 1.18 0.00 0.00 175.17 177.56 1g44 n PHE 213 N 0.96 -0.48 -3.88 4.23 3.72 -1.26 -3.66 117.46 117.10 1g44 n PHE 213 Ca -0.10 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.20 1g44 n PHE 213 Cb 0.53 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.00 1g44 n PHE 213 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g44 n LYS 216 N -0.16 1.81 -1.53 0.00 4.81 -1.26 -4.96 118.16 116.87 1g44 n LYS 216 Ca -0.11 -1.25 -0.51 0.00 -0.87 0.00 0.00 58.31 55.57 1g44 n LYS 216 Cb 0.63 -1.31 -0.06 0.00 0.02 0.00 0.00 35.03 34.31 1g44 n LYS 216 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g44 n GLY 218 N 1.09 0.74 3.05 3.14 0.00 -1.26 -5.11 105.19 106.84 1g44 n GLY 218 Ca 0.13 0.91 -0.22 0.00 0.00 0.00 0.00 46.02 46.85 1g44 n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g44 s LEU 221 N 6.36 1.88 -0.60 0.99 2.01 -1.26 -5.11 118.68 122.94 1g44 s LEU 221 Ca 1.05 -0.23 0.06 0.00 0.01 0.00 0.00 54.13 55.02 1g44 s LEU 221 Cb -0.82 -0.65 0.23 0.00 0.01 0.00 0.00 46.19 44.96 1g44 s LEU 221 CO 0.51 0.11 0.65 -0.24 1.01 0.00 0.00 176.35 178.39 1g44 n SER 222 N 3.12 2.91 -4.76 2.29 2.88 -0.55 -4.91 113.62 114.60 1g44 n SER 222 Ca -0.17 -3.25 -0.37 0.00 -1.33 0.00 0.00 58.87 53.75 1g44 n SER 222 Cb 0.54 -0.68 0.02 0.00 -0.75 0.00 0.00 64.21 63.35 1g44 n SER 222 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1g44 s SER 224 N -2.01 5.57 -0.76 -3.46 0.15 -1.26 -3.64 113.70 108.28 1g44 s SER 224 Ca 0.36 2.54 -0.06 0.00 0.70 0.00 0.00 55.95 59.49 1g44 s SER 224 Cb 0.12 -2.62 0.20 0.00 -1.71 0.00 0.00 66.02 62.00 1g44 s SER 224 CO -0.06 -1.35 0.63 -0.44 1.20 0.00 0.00 173.24 173.22 1g44 s SER 225 N -1.21 5.92 0.00 5.45 0.01 -1.26 -4.85 113.70 117.76 1g44 s SER 225 Ca 0.70 -3.01 0.00 0.00 1.31 0.00 0.00 55.95 54.94 1g44 s SER 225 Cb -0.34 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1g44 s SER 225 CO 0.40 -0.39 0.00 -1.54 0.41 0.00 0.00 173.24 172.13 1g44 n SER 226 N 3.36 0.00 -3.84 2.44 3.41 -1.26 -4.90 113.62 112.83 1g44 n SER 226 Ca 0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.47 1g44 n SER 226 Cb 0.40 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.19 1g44 n SER 226 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1g44 s SER 227 N 0.00 2.51 0.27 4.04 0.01 0.09 -4.71 113.70 115.91 1g44 s SER 227 Ca 0.00 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 56.82 1g44 s SER 227 Cb 0.00 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1g44 s SER 227 CO 0.00 -0.20 0.10 -0.89 0.41 0.00 0.00 173.24 172.66 1g44 s THR 228 N 1.75 3.82 0.07 1.44 2.01 -1.21 -0.72 115.64 122.81 1g44 s THR 228 Ca 0.02 -1.68 -0.05 0.00 0.31 0.00 0.00 61.69 60.29 1g44 s THR 228 Cb -0.15 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 1g44 s THR 228 CO -0.07 -0.35 0.31 0.00 -0.69 0.00 0.00 174.62 173.82 1g44 s SER 230 N -2.14 1.86 0.32 0.00 0.01 -0.95 -4.70 113.70 108.09 1g44 s SER 230 Ca 0.34 -1.04 -0.27 0.00 1.31 0.00 0.00 55.95 56.30 1g44 s SER 230 Cb -0.13 -0.02 -0.09 0.00 0.21 0.00 0.00 66.02 65.99 1g44 s SER 230 CO 0.22 -0.34 1.01 -2.16 0.41 0.00 0.00 173.24 172.38 1g44 s PRO 231 N -3.75 4.53 0.00 12.44 0.04 -1.26 -4.19 135.00 142.80 1g44 s PRO 231 Ca 0.19 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1g44 s PRO 231 Cb 0.03 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1g44 s PRO 231 CO 0.02 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.66 1g44 n GLY 232 N 0.82 1.22 2.71 0.56 0.00 -1.26 -4.51 105.19 104.73 1g44 n GLY 232 Ca 0.01 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 1g44 n GLY 232 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g44 n ASN 233 N 0.07 -2.09 -3.75 1.61 5.15 -1.26 -4.83 115.26 110.16 1g44 n ASN 233 Ca 0.00 -2.78 -0.12 0.00 -0.60 0.00 0.00 54.58 51.08 1g44 n ASN 233 Cb 0.00 1.47 -0.08 0.00 -0.53 0.00 0.00 39.78 40.64 1g44 n ASN 233 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1g44 s THR 234 N 0.34 0.07 -0.04 -0.44 -4.23 -1.26 -5.13 115.64 104.96 1g44 s THR 234 Ca 0.26 -0.59 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 1g44 s THR 234 Cb 0.25 -0.85 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 1g44 s THR 234 CO -0.15 -0.33 -0.19 0.26 -0.54 0.00 0.00 174.62 173.67 1g44 s TRP 235 N -2.17 2.56 -0.05 3.99 0.52 -1.26 -2.25 118.94 120.28 1g44 s TRP 235 Ca -0.08 -0.30 -0.01 0.00 0.02 0.00 0.00 56.10 55.74 1g44 s TRP 235 Cb -0.02 -1.59 0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1g44 s TRP 235 CO -0.01 0.08 0.02 0.15 0.02 0.00 0.00 176.95 177.20 1g44 s LYS 236 N -0.63 0.32 0.38 4.98 1.02 0.10 -2.21 119.74 123.70 1g44 s LYS 236 Ca 0.10 0.16 -0.25 0.00 0.02 0.00 0.00 55.97 56.00 1g44 s LYS 236 Cb -0.11 -0.66 -0.09 0.00 -0.52 0.00 0.00 37.83 36.45 1g44 s LYS 236 CO 0.00 -0.24 1.03 -1.25 -0.92 0.00 0.00 175.35 173.97 1g44 s PRO 237 N 1.62 4.29 0.16 -1.68 0.04 -1.26 -3.28 135.00 134.89 1g44 s PRO 237 Ca -0.01 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 1g44 s PRO 237 Cb -0.13 -2.63 -0.15 0.00 0.04 0.00 0.00 34.50 31.63 1g44 s PRO 237 CO -0.03 -0.02 0.52 -1.91 0.04 0.00 0.00 177.00 175.59 1g44 n GLU 238 N 0.13 0.00 -1.51 4.56 4.07 -0.94 -4.71 120.64 122.24 1g44 n GLU 238 Ca 0.04 0.00 -0.58 0.00 -0.06 0.00 0.00 57.16 56.56 1g44 n GLU 238 Cb 0.50 -0.94 -0.09 0.00 -0.06 0.00 0.00 31.44 30.85 1g44 n GLU 238 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1g44 n LEU 239 N 1.72 1.62 -4.88 4.31 7.99 -1.26 -4.93 117.00 121.57 1g44 n LEU 239 Ca 0.16 0.80 -0.30 0.00 -0.01 0.00 0.00 56.01 56.67 1g44 n LEU 239 Cb 0.20 -1.05 0.01 0.00 -0.11 0.00 0.00 43.42 42.47 1g44 n LEU 239 CO 0.50 -0.68 0.65 -2.16 -1.51 0.00 0.00 177.39 174.19 1g44 s PRO 240 N 4.90 3.51 0.07 3.23 0.04 -1.26 -5.00 135.00 140.50 1g44 s PRO 240 Ca 1.09 0.58 0.09 0.00 0.04 0.00 0.00 61.00 62.80 1g44 s PRO 240 Cb -1.22 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1g44 s PRO 240 CO 0.64 -0.52 -0.22 0.21 0.04 0.00 0.00 177.00 177.15 1g44 s LYS 241 N -5.08 1.82 -0.22 4.56 2.20 -1.24 -4.76 119.74 117.01 1g44 s LYS 241 Ca 0.53 -1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 1g44 s LYS 241 Cb -0.11 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.12 1g44 s LYS 241 CO 0.51 0.50 0.05 0.00 -0.36 0.00 0.00 175.35 176.06