#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afb h ILE 74 N 0.00 0.10 -0.19 0.00 1.08 -2.05 0.26 117.51 116.70 1afb h ILE 74 Ca 0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.35 1afb h ILE 74 Cb 0.00 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.84 1afb h ILE 74 CO 0.00 0.00 -0.40 -0.33 -0.69 0.00 0.00 178.15 176.73 1afb h GLU 75 N -0.02 0.44 -0.44 2.37 5.08 -2.05 -0.99 114.58 118.97 1afb h GLU 75 Ca 0.38 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1afb h GLU 75 Cb 0.62 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1afb h GLU 75 CO -0.90 0.77 -0.29 0.28 -1.00 0.00 0.00 179.01 177.87 1afb h VAL 76 N 0.36 1.27 -0.44 3.13 2.07 -1.40 -0.85 116.25 120.40 1afb h VAL 76 Ca 0.03 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1afb h VAL 76 Cb 0.86 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1afb h VAL 76 CO 0.07 0.50 0.15 0.11 0.02 0.00 0.00 177.57 178.42 1afb h LYS 77 N 0.82 0.67 -0.65 1.57 1.57 -0.25 -1.58 116.57 118.72 1afb h LYS 77 Ca 0.09 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1afb h LYS 77 Cb 0.88 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1afb h LYS 77 CO 0.08 0.64 0.18 1.25 -0.57 0.00 0.00 179.45 181.03 1afb h LEU 78 N 0.57 0.96 -0.82 2.94 5.85 -1.07 -1.52 115.31 122.21 1afb h LEU 78 Ca 0.14 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1afb h LEU 78 Cb 0.24 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1afb h LEU 78 CO -0.01 0.91 -0.10 0.00 -0.34 0.00 0.00 178.44 178.91 1afb h ALA 79 N 1.21 1.00 -0.37 1.25 0.00 -0.88 -2.35 119.26 119.12 1afb h ALA 79 Ca 0.21 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1afb h ALA 79 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1afb h ALA 79 CO -0.00 0.60 0.02 -0.97 0.00 0.00 0.00 179.25 178.89 1afb h ASN 80 N 0.71 0.63 -0.91 0.00 -1.24 -0.88 -2.86 115.58 111.04 1afb h ASN 80 Ca 0.12 -0.29 0.13 0.00 0.71 0.00 0.00 56.30 56.97 1afb h ASN 80 Cb 0.57 -0.17 -0.07 0.00 0.73 0.00 0.00 38.32 39.38 1afb h ASN 80 CO 0.04 0.77 0.58 0.24 -1.29 0.00 0.00 177.43 177.77 1afb h MET 81 N 0.47 0.74 -0.23 6.67 2.86 -0.98 0.21 114.93 124.67 1afb h MET 81 Ca 0.11 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1afb h MET 81 Cb 0.44 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1afb h MET 81 CO 0.02 0.49 0.11 0.93 1.06 0.00 0.00 176.91 179.51 1afb h GLU 82 N 0.76 0.33 -0.75 1.72 5.08 -1.22 0.98 114.58 121.48 1afb h GLU 82 Ca 0.45 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1afb h GLU 82 Cb 0.65 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1afb h GLU 82 CO -0.21 0.34 0.35 0.00 -1.00 0.00 0.00 179.01 178.48 1afb h ALA 83 N 0.97 1.20 -0.04 3.43 0.00 -0.88 0.12 119.26 124.06 1afb h ALA 83 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1afb h ALA 83 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1afb h ALA 83 CO -0.01 0.60 0.02 0.93 0.00 0.00 0.00 179.25 180.79 1afb h GLU 84 N 1.06 0.06 -0.04 0.00 4.39 -0.28 -0.22 114.58 119.56 1afb h GLU 84 Ca 0.26 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1afb h GLU 84 Cb 0.13 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1afb h GLU 84 CO -0.03 0.16 0.03 0.82 -1.16 0.00 0.00 179.01 178.82 1afb h ILE 85 N -0.05 1.02 -0.84 3.13 2.04 -0.53 -1.30 117.51 120.99 1afb h ILE 85 Ca 0.01 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1afb h ILE 85 Cb 0.12 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1afb h ILE 85 CO -0.00 0.02 0.53 0.78 0.00 0.00 0.00 178.15 179.48 1afb h ASN 86 N 0.04 0.86 -0.64 1.72 2.35 -0.68 -0.92 115.58 118.31 1afb h ASN 86 Ca 0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1afb h ASN 86 Cb 0.01 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1afb h ASN 86 CO -0.00 0.58 0.13 0.74 -1.65 0.00 0.00 177.43 177.23 1afb h THR 87 N 1.01 1.26 -0.35 2.81 2.02 -0.85 -2.34 112.91 116.47 1afb h THR 87 Ca 0.35 -0.99 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 1afb h THR 87 Cb 0.07 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1afb h THR 87 CO -0.14 0.37 -0.19 -0.07 0.37 0.00 0.00 175.52 175.87 1afb h LEU 88 N 1.01 0.65 -0.22 2.58 3.38 -0.48 -0.96 115.31 121.26 1afb h LEU 88 Ca 0.20 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1afb h LEU 88 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1afb h LEU 88 CO 0.01 0.84 0.12 0.11 0.09 0.00 0.00 178.44 179.61 1afb h LYS 89 N 0.58 0.25 -0.63 1.13 1.57 -0.93 -0.03 116.57 118.51 1afb h LYS 89 Ca 0.09 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1afb h LYS 89 Cb 0.65 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1afb h LYS 89 CO 0.05 0.17 0.22 0.77 -0.57 0.00 0.00 179.45 180.09 1afb h SER 90 N 0.26 0.89 -0.51 0.86 0.02 -1.13 -0.86 113.55 113.08 1afb h SER 90 Ca 0.09 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1afb h SER 90 Cb -0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1afb h SER 90 CO -0.04 0.84 0.04 0.11 -1.14 0.00 0.00 176.83 176.63 1afb h LYS 91 N 0.89 0.87 -0.44 3.45 1.57 -0.90 -1.25 116.57 120.77 1afb h LYS 91 Ca 0.21 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1afb h LYS 91 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1afb h LYS 91 CO -0.01 0.89 -0.12 1.25 -0.57 0.00 0.00 179.45 180.88 1afb h LEU 92 N 0.74 0.79 -0.75 2.94 5.85 -0.85 -0.51 115.31 123.52 1afb h LEU 92 Ca 0.15 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1afb h LEU 92 Cb 0.47 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1afb h LEU 92 CO 0.02 0.93 0.37 -0.33 -0.34 0.00 0.00 178.44 179.08 1afb h GLU 93 N 0.72 1.07 -0.69 1.25 5.08 -0.88 -0.16 114.58 120.97 1afb h GLU 93 Ca 0.12 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1afb h GLU 93 Cb 0.61 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1afb h GLU 93 CO 0.04 0.83 0.14 1.25 -1.00 0.00 0.00 179.01 180.27 1afb h LEU 94 N 1.04 1.06 -0.52 1.33 5.85 -0.91 -0.97 115.31 122.19 1afb h LEU 94 Ca 0.26 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1afb h LEU 94 Cb 0.10 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1afb h LEU 94 CO -0.03 1.03 0.29 0.74 -0.34 0.00 0.00 178.44 180.13 1afb h THR 95 N 1.05 1.17 -0.59 1.05 2.02 -0.49 -1.23 112.91 115.89 1afb h THR 95 Ca 0.21 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1afb h THR 95 Cb 0.41 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1afb h THR 95 CO 0.01 0.18 0.24 0.78 0.37 0.00 0.00 175.52 177.09 1afb h ASN 96 N 0.69 0.81 -0.16 4.18 -0.26 -0.66 -0.36 115.58 119.83 1afb h ASN 96 Ca 0.18 -0.17 0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1afb h ASN 96 Cb 0.03 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.06 1afb h ASN 96 CO -0.03 0.76 0.05 0.11 -1.06 0.00 0.00 177.43 177.25 1afb h LYS 97 N 0.81 0.12 -0.81 0.81 1.57 -0.94 0.06 116.57 118.20 1afb h LYS 97 Ca 0.20 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1afb h LYS 97 Cb 0.20 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1afb h LYS 97 CO -0.02 0.08 0.38 1.25 -0.57 0.00 0.00 179.45 180.57 1afb h LEU 98 N 0.12 1.06 -0.51 2.94 5.85 -1.07 -0.75 115.31 122.95 1afb h LEU 98 Ca 0.07 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1afb h LEU 98 Cb 0.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1afb h LEU 98 CO -0.07 0.91 0.14 -0.74 -0.34 0.00 0.00 178.44 178.34 1afb h HIS 99 N 1.15 0.84 -0.78 1.25 2.76 -0.71 0.33 115.15 119.98 1afb h HIS 99 Ca 0.28 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1afb h HIS 99 Cb 0.13 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 1afb h HIS 99 CO 0.01 0.73 0.49 0.00 -1.30 0.00 0.00 177.93 177.86 1afb h ALA 100 N 1.01 1.00 -0.47 5.26 0.00 -0.59 -0.46 119.26 125.02 1afb h ALA 100 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1afb h ALA 100 Cb 0.30 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1afb h ALA 100 CO -0.00 0.45 0.25 0.35 0.00 0.00 0.00 179.25 180.29 1afb h PHE 101 N 1.07 0.65 0.00 0.00 3.57 -0.84 -0.42 116.94 120.97 1afb h PHE 101 Ca 0.28 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 1afb h PHE 101 Cb -0.06 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1afb h PHE 101 CO -0.01 0.50 -0.30 0.77 -2.23 0.00 0.00 178.31 177.04 1afb h SER 102 N 0.61 0.00 -0.14 0.41 0.02 -0.54 -1.62 113.55 112.30 1afb h SER 102 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1afb h SER 102 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1afb h SER 102 CO -0.02 0.30 0.00 0.23 -1.14 0.00 0.00 176.83 176.20 1afb n MET 103 N -3.97 1.45 -1.01 3.45 2.81 -0.22 -4.89 117.12 114.74 1afb n MET 103 Ca -0.02 -0.54 -0.01 0.00 -1.81 0.00 0.00 57.70 55.32 1afb n MET 103 Cb 0.37 -1.26 -0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1afb n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1afb n GLY 104 N 0.56 0.42 3.69 3.03 0.00 -0.61 -4.92 105.19 107.37 1afb n GLY 104 Ca 0.05 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1afb n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1afb s LYS 105 N -1.95 4.26 0.20 1.61 2.20 -0.23 -4.99 119.74 120.85 1afb s LYS 105 Ca 0.00 2.10 -0.14 0.00 -0.36 0.00 0.00 55.97 57.57 1afb s LYS 105 Cb 0.00 -3.50 -0.07 0.00 -1.51 0.00 0.00 37.83 32.74 1afb s LYS 105 CO 0.00 -0.59 0.60 0.15 -0.36 0.00 0.00 175.35 175.14 1afb s LYS 106 N 2.16 3.97 -0.04 4.03 -0.14 -1.26 -4.65 119.74 123.81 1afb s LYS 106 Ca 0.67 0.51 -0.38 0.00 -1.36 0.00 0.00 55.97 55.40 1afb s LYS 106 Cb -0.35 -2.78 -0.17 0.00 -1.68 0.00 0.00 37.83 32.85 1afb s LYS 106 CO 0.29 0.38 1.43 0.43 -0.76 0.00 0.00 175.35 177.12 1afb n SER 107 N 0.37 1.69 -1.42 2.83 7.64 -1.26 -1.22 113.62 122.24 1afb n SER 107 Ca -0.02 1.11 -0.17 0.00 1.01 0.00 0.00 58.87 60.80 1afb n SER 107 Cb 0.52 -1.14 -0.07 0.00 -1.01 0.00 0.00 64.21 62.50 1afb n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1afb n GLY 108 N 2.92 1.62 3.31 0.23 0.00 -1.26 -4.97 105.19 107.05 1afb n GLY 108 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1afb n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afb s LYS 109 N -3.43 1.29 0.78 1.61 1.02 -0.36 -4.81 119.74 115.84 1afb s LYS 109 Ca 0.00 -1.17 -0.11 0.00 0.02 0.00 0.00 55.97 54.71 1afb s LYS 109 Cb 0.00 -1.59 0.06 0.00 -0.52 0.00 0.00 37.83 35.78 1afb s LYS 109 CO 0.00 0.38 1.09 -1.59 -0.92 0.00 0.00 175.35 174.31 1afb s LYS 110 N -1.78 2.20 0.08 1.68 -2.85 -1.26 -4.25 119.74 113.56 1afb s LYS 110 Ca 0.09 1.16 0.02 0.00 -1.00 0.00 0.00 55.97 56.24 1afb s LYS 110 Cb -0.10 -1.89 -0.04 0.00 -2.06 0.00 0.00 37.83 33.75 1afb s LYS 110 CO 0.04 -1.68 -0.07 -0.59 0.10 0.00 0.00 175.35 173.15 1afb s PHE 111 N -2.90 0.81 -0.05 1.78 -0.71 -0.66 -4.75 117.98 111.50 1afb s PHE 111 Ca 0.61 -0.76 0.04 0.00 -1.04 0.00 0.00 56.93 55.78 1afb s PHE 111 Cb -0.17 -0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 41.14 1afb s PHE 111 CO 0.56 -0.13 -0.16 -0.06 -1.34 0.00 0.00 175.22 174.09 1afb s PHE 112 N -2.79 2.64 0.03 3.49 0.08 -1.26 -0.91 117.98 119.27 1afb s PHE 112 Ca 0.04 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1afb s PHE 112 Cb -0.00 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 1afb s PHE 112 CO -0.03 0.14 -0.08 0.08 -0.10 0.00 0.00 175.22 175.23 1afb s VAL 113 N -0.68 0.54 0.03 -0.44 1.01 -0.25 -4.98 120.40 115.63 1afb s VAL 113 Ca 0.10 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1afb s VAL 113 Cb -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1afb s VAL 113 CO 0.00 -0.29 0.18 0.28 0.00 0.00 0.00 175.10 175.27 1afb s THR 114 N -1.16 0.11 -2.32 3.92 -1.32 -1.26 -0.75 115.64 112.85 1afb s THR 114 Ca -0.08 -0.88 0.19 0.00 -1.21 0.00 0.00 61.69 59.71 1afb s THR 114 Cb -0.09 -0.83 0.17 0.00 -1.51 0.00 0.00 72.50 70.24 1afb s THR 114 CO 0.00 -0.48 1.11 -0.46 -2.21 0.00 0.00 174.62 172.58 1afb n ASN 115 N 0.82 2.62 -0.73 8.08 6.94 -1.26 -4.97 115.26 126.76 1afb n ASN 115 Ca -0.19 -1.80 -0.09 0.00 -0.02 0.00 0.00 54.58 52.48 1afb n ASN 115 Cb 0.58 -0.02 -0.03 0.00 -2.36 0.00 0.00 39.78 37.95 1afb n ASN 115 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1afb n HIS 116 N 1.07 -0.09 -3.49 -2.53 8.25 -1.26 -5.02 115.22 112.14 1afb n HIS 116 Ca 0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.20 1afb n HIS 116 Cb 0.47 -1.84 -0.06 0.00 1.12 0.00 0.00 29.99 29.68 1afb n HIS 116 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1afb s GLU 117 N -3.11 4.02 -0.14 -0.41 2.12 -1.26 -4.92 118.70 115.00 1afb s GLU 117 Ca 0.00 0.34 -0.10 0.00 0.36 0.00 0.00 54.97 55.57 1afb s GLU 117 Cb 0.00 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 1afb s GLU 117 CO 0.00 0.53 0.19 1.03 -0.54 0.00 0.00 175.26 176.47 1afb s ARG 118 N -0.54 3.87 0.21 4.30 0.52 -1.26 -1.23 118.95 124.83 1afb s ARG 118 Ca 0.23 -0.07 -0.23 0.00 -0.52 0.00 0.00 55.73 55.14 1afb s ARG 118 Cb -0.16 -3.31 0.05 0.00 0.52 0.00 0.00 34.95 32.05 1afb s ARG 118 CO 0.11 0.52 0.72 0.00 0.02 0.00 0.00 175.30 176.66 1afb s MET 119 N -0.32 1.51 0.68 3.54 0.23 -0.40 -4.73 119.30 119.82 1afb s MET 119 Ca 0.14 -0.75 -0.15 0.00 -1.03 0.00 0.00 55.69 53.90 1afb s MET 119 Cb -0.12 0.57 0.01 0.00 -1.53 0.00 0.00 34.83 33.76 1afb s MET 119 CO 0.03 -0.68 1.14 -2.14 -2.03 0.00 0.00 175.02 171.33 1afb s PRO 120 N -3.75 2.59 0.27 3.16 0.02 -1.24 -1.53 135.00 134.51 1afb s PRO 120 Ca 0.08 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1afb s PRO 120 Cb -0.04 -1.91 0.63 0.00 0.02 0.00 0.00 34.50 33.19 1afb s PRO 120 CO -0.01 -1.43 1.68 0.35 -0.33 0.00 0.00 177.00 177.25 1afb h PHE 121 N -0.10 0.42 -0.97 6.54 3.57 -1.51 0.21 116.94 125.10 1afb h PHE 121 Ca -0.47 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.17 1afb h PHE 121 Cb 1.26 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 1afb h PHE 121 CO 0.52 -0.11 0.62 0.66 -2.23 0.00 0.00 178.31 177.78 1afb h SER 122 N 0.30 0.92 -0.41 0.41 4.64 -1.92 -0.50 113.55 116.99 1afb h SER 122 Ca 0.51 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.72 1afb h SER 122 Cb 0.95 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1afb h SER 122 CO -0.56 0.53 -0.29 0.11 -0.87 0.00 0.00 176.83 175.75 1afb h LYS 123 N 1.01 0.92 -0.24 4.77 1.79 -1.32 -1.98 116.57 121.52 1afb h LYS 123 Ca 0.46 -0.44 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1afb h LYS 123 Cb 0.38 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1afb h LYS 123 CO -0.21 1.10 0.12 0.28 -1.08 0.00 0.00 179.45 179.66 1afb h VAL 124 N 0.74 1.13 -0.45 0.50 2.07 -0.95 0.24 116.25 119.54 1afb h VAL 124 Ca 0.08 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1afb h VAL 124 Cb 0.87 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1afb h VAL 124 CO 0.08 0.13 0.22 0.11 0.02 0.00 0.00 177.57 178.13 1afb h LYS 125 N 0.27 0.43 -0.56 1.57 1.57 -1.04 0.89 116.57 119.70 1afb h LYS 125 Ca 0.08 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1afb h LYS 125 Cb 0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1afb h LYS 125 CO -0.01 0.28 0.05 0.00 -0.57 0.00 0.00 179.45 179.20 1afb h ALA 126 N 1.24 0.75 -0.03 3.86 0.00 -1.17 -1.15 119.26 122.77 1afb h ALA 126 Ca 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1afb h ALA 126 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1afb h ALA 126 CO -0.14 0.54 0.01 1.25 0.00 0.00 0.00 179.25 180.91 1afb h LEU 127 N 0.85 0.04 -1.06 0.00 5.85 -0.57 -0.89 115.31 119.53 1afb h LEU 127 Ca 0.17 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1afb h LEU 127 Cb 0.48 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1afb h LEU 127 CO 0.02 0.21 0.24 0.00 -0.34 0.00 0.00 178.44 178.57 1afb h SER 129 N 0.90 0.47 0.32 0.00 0.02 -0.91 0.07 113.55 114.42 1afb h SER 129 Ca 0.21 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1afb h SER 129 Cb 0.18 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1afb h SER 129 CO -0.02 0.33 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.88 1afb h GLU 130 N 0.58 0.00 -0.25 3.45 4.81 -0.72 -0.66 114.58 121.80 1afb h GLU 130 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1afb h GLU 130 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1afb h GLU 130 CO -0.10 0.04 0.00 1.28 -0.73 0.00 0.00 179.01 179.49 1afb n LEU 131 N -3.34 2.90 -1.96 1.64 4.77 -0.46 -4.93 117.00 115.62 1afb n LEU 131 Ca -0.02 -1.17 -0.15 0.00 -0.03 0.00 0.00 56.01 54.64 1afb n LEU 131 Cb 0.17 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1afb n LEU 131 CO 0.25 0.59 -0.09 0.54 -1.33 0.00 0.00 177.39 177.35 1afb n ARG 132 N 1.16 -2.41 -1.07 3.23 5.12 -0.25 -5.01 116.66 117.43 1afb n ARG 132 Ca 0.18 0.68 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 1afb n ARG 132 Cb 0.54 -4.99 0.00 0.00 -1.16 0.00 0.00 32.46 26.85 1afb n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1afb n GLY 133 N -1.17 5.62 3.13 -0.13 0.00 -0.11 -4.96 105.19 107.56 1afb n GLY 133 Ca -0.12 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 1afb n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1afb s THR 134 N -0.38 0.26 0.15 2.61 -4.23 -0.76 -3.87 115.64 109.42 1afb s THR 134 Ca 0.00 -1.87 -0.31 0.00 -1.18 0.00 0.00 61.69 58.33 1afb s THR 134 Cb 0.00 -1.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.00 1afb s THR 134 CO 0.00 -0.78 1.52 -0.69 -0.54 0.00 0.00 174.62 174.13 1afb s VAL 135 N -3.91 2.82 -0.10 2.29 1.01 -1.26 0.07 120.40 121.32 1afb s VAL 135 Ca 0.14 0.58 -0.40 0.00 0.00 0.00 0.00 61.98 62.30 1afb s VAL 135 Cb 0.07 -3.37 -0.18 0.00 0.00 0.00 0.00 36.38 32.90 1afb s VAL 135 CO -0.05 0.04 1.35 0.00 0.00 0.00 0.00 175.10 176.44 1afb n ALA 136 N 3.99 -1.90 -3.92 5.51 0.00 -0.24 -3.80 120.51 120.15 1afb n ALA 136 Ca 0.13 0.52 -0.28 0.00 0.00 0.00 0.00 53.44 53.82 1afb n ALA 136 Cb 0.40 -1.96 -0.17 0.00 0.00 0.00 0.00 19.45 17.72 1afb n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1afb s ILE 137 N 1.18 1.16 -0.13 0.00 1.01 -1.26 -1.15 121.20 122.02 1afb s ILE 137 Ca 0.92 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.93 1afb s ILE 137 Cb -1.18 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 1afb s ILE 137 CO 0.59 0.39 0.86 -2.84 0.00 0.00 0.00 174.94 173.94 1afb s PRO 138 N 1.62 4.36 0.00 2.79 0.02 -1.26 -4.92 135.00 137.61 1afb s PRO 138 Ca 0.04 1.11 0.16 0.00 0.02 0.00 0.00 61.00 62.33 1afb s PRO 138 Cb -0.13 -3.54 -0.17 0.00 0.02 0.00 0.00 34.50 30.68 1afb s PRO 138 CO -0.08 -0.26 0.70 0.54 -0.33 0.00 0.00 177.00 177.57 1afb n ARG 139 N 4.90 1.64 -3.84 5.54 5.12 -1.26 -4.80 116.66 123.96 1afb n ARG 139 Ca 0.05 -0.04 -0.08 0.00 -1.93 0.00 0.00 57.85 55.85 1afb n ARG 139 Cb 0.49 -1.27 -0.01 0.00 -1.16 0.00 0.00 32.46 30.52 1afb n ARG 139 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1afb s ASN 140 N -2.51 -0.18 0.43 0.55 2.20 -1.26 -4.59 114.94 109.58 1afb s ASN 140 Ca 0.07 -0.78 0.09 0.00 -0.94 0.00 0.00 52.86 51.29 1afb s ASN 140 Cb 0.12 0.77 0.93 0.00 -2.00 0.00 0.00 41.25 41.07 1afb s ASN 140 CO 0.65 -1.46 2.07 0.00 -2.94 0.00 0.00 177.10 175.42 1afb h ALA 141 N 2.00 1.77 0.04 3.54 0.00 -1.97 -1.19 119.26 123.45 1afb h ALA 141 Ca -0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1afb h ALA 141 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1afb h ALA 141 CO 0.29 0.20 -0.02 1.49 0.00 0.00 0.00 179.25 181.21 1afb h GLU 142 N 0.47 -0.05 -0.44 0.00 4.81 -1.99 -0.18 114.58 117.20 1afb h GLU 142 Ca 0.14 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1afb h GLU 142 Cb -0.01 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1afb h GLU 142 CO -0.03 0.15 -0.07 0.93 -0.73 0.00 0.00 179.01 179.25 1afb h GLU 143 N -0.24 0.76 -0.70 1.92 5.08 -1.91 -0.45 114.58 119.04 1afb h GLU 143 Ca -0.01 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1afb h GLU 143 Cb 0.22 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1afb h GLU 143 CO 0.01 0.82 0.37 -0.97 -1.00 0.00 0.00 179.01 178.24 1afb h ASN 144 N 0.70 0.88 -0.59 1.42 -1.24 -1.06 -0.08 115.58 115.62 1afb h ASN 144 Ca 0.13 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 1afb h ASN 144 Cb 0.54 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 1afb h ASN 144 CO 0.03 0.73 0.15 0.50 -1.29 0.00 0.00 177.43 177.55 1afb h LYS 145 N 0.96 0.94 -0.42 6.67 1.63 -0.55 -2.17 116.57 123.64 1afb h LYS 145 Ca 0.24 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1afb h LYS 145 Cb 0.06 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1afb h LYS 145 CO -0.04 0.87 0.22 0.00 -3.45 0.00 0.00 179.45 177.05 1afb h ALA 146 N 1.03 0.53 -0.48 5.00 0.00 -0.44 -1.50 119.26 123.40 1afb h ALA 146 Ca 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1afb h ALA 146 Cb 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1afb h ALA 146 CO 0.00 0.06 0.22 0.82 0.00 0.00 0.00 179.25 180.35 1afb h ILE 147 N 0.54 1.20 -0.01 0.00 2.04 -0.88 -0.29 117.51 120.10 1afb h ILE 147 Ca 0.15 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 1afb h ILE 147 Cb 0.06 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1afb h ILE 147 CO -0.02 0.22 -0.34 0.06 0.00 0.00 0.00 178.15 178.07 1afb h GLN 148 N 0.64 0.02 -0.39 2.37 3.07 -1.27 0.20 115.11 119.74 1afb h GLN 148 Ca 0.16 -0.01 -0.11 0.00 0.09 0.00 0.00 58.65 58.79 1afb h GLN 148 Cb 0.14 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 1afb h GLN 148 CO -0.02 0.36 -0.19 0.93 0.09 0.00 0.00 178.83 180.00 1afb h GLU 149 N 0.02 0.82 -0.15 0.06 4.39 -0.68 -1.50 114.58 117.55 1afb h GLU 149 Ca -0.00 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.24 1afb h GLU 149 Cb 0.61 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1afb h GLU 149 CO 0.04 0.99 -0.29 0.28 -1.16 0.00 0.00 179.01 178.87 1afb h VAL 150 N 0.63 1.36 -0.28 3.13 2.07 -0.55 -3.35 116.25 119.26 1afb h VAL 150 Ca 0.09 -1.55 -0.13 0.00 0.82 0.00 0.00 66.70 65.93 1afb h VAL 150 Cb 0.74 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1afb h VAL 150 CO 0.06 0.46 -0.34 0.00 0.02 0.00 0.00 177.57 177.77 1afb h ALA 151 N 0.56 0.42 0.00 1.67 0.00 -0.63 -3.46 119.26 117.81 1afb h ALA 151 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1afb h ALA 151 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1afb h ALA 151 CO 0.06 0.48 0.00 1.63 0.00 0.00 0.00 179.25 181.42 1afb n LYS 152 N -4.22 0.00 -3.46 0.00 4.76 -0.57 -4.82 118.16 109.85 1afb n LYS 152 Ca -0.04 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.28 1afb n LYS 152 Cb 0.50 -2.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.23 1afb n LYS 152 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1afb n THR 153 N -1.59 0.00 -1.89 -0.18 5.66 -1.26 -4.89 114.28 110.13 1afb n THR 153 Ca 0.00 -1.48 -0.42 0.00 -3.05 0.00 0.00 64.05 59.10 1afb n THR 153 Cb 0.00 0.85 -0.03 0.00 -1.55 0.00 0.00 70.33 69.60 1afb n THR 153 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1afb s SER 154 N -2.66 6.56 0.05 1.09 1.04 -1.26 -4.65 113.70 113.87 1afb s SER 154 Ca 0.24 2.58 0.04 0.00 0.48 0.00 0.00 55.95 59.29 1afb s SER 154 Cb -0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 1afb s SER 154 CO 0.17 -0.89 -0.12 0.00 0.98 0.00 0.00 173.24 173.39 1afb s ALA 155 N 2.12 0.98 0.46 5.32 0.00 -0.93 -1.64 121.76 128.06 1afb s ALA 155 Ca 0.74 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 1afb s ALA 155 Cb -0.42 -0.08 -0.08 0.00 0.00 0.00 0.00 23.12 22.53 1afb s ALA 155 CO 0.32 0.13 1.09 -0.06 0.00 0.00 0.00 175.76 177.25 1afb s PHE 156 N -1.12 3.00 0.21 0.00 0.08 -1.06 -0.76 117.98 118.32 1afb s PHE 156 Ca -0.03 1.58 0.09 0.00 0.12 0.00 0.00 56.93 58.69 1afb s PHE 156 Cb -0.09 -3.21 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 1afb s PHE 156 CO 0.01 -1.07 -0.05 -0.51 -0.10 0.00 0.00 175.22 173.50 1afb s LEU 157 N -3.12 3.11 -1.30 -0.37 1.43 0.41 -4.57 118.68 114.27 1afb s LEU 157 Ca 0.64 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1afb s LEU 157 Cb -0.23 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 1afb s LEU 157 CO 0.28 0.07 3.01 0.61 0.23 0.00 0.00 176.35 180.54 1afb n GLY 158 N -0.32 4.16 2.96 -3.19 0.00 -0.30 -4.55 105.19 103.95 1afb n GLY 158 Ca -0.09 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 1afb n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1afb s ILE 159 N 1.48 -0.04 0.10 -0.61 1.01 -1.26 -0.46 121.20 121.43 1afb s ILE 159 Ca 0.67 0.13 -0.14 0.00 0.00 0.00 0.00 60.65 61.32 1afb s ILE 159 Cb 0.21 -0.24 0.02 0.00 0.01 0.00 0.00 42.46 42.46 1afb s ILE 159 CO -0.06 0.05 0.32 0.42 0.00 0.00 0.00 174.94 175.68 1afb s THR 160 N 0.89 0.09 -0.32 2.92 -4.23 -0.46 -3.33 115.64 111.21 1afb s THR 160 Ca -0.07 -0.77 0.07 0.00 -1.18 0.00 0.00 61.69 59.74 1afb s THR 160 Cb -0.09 -1.18 0.47 0.00 1.34 0.00 0.00 72.50 73.04 1afb s THR 160 CO -0.05 -0.43 1.39 -0.90 -0.54 0.00 0.00 174.62 174.10 1afb n ASP 161 N -0.04 3.69 0.14 3.99 5.75 -0.42 -0.63 116.55 129.03 1afb n ASP 161 Ca -0.16 -3.80 0.00 0.00 -0.01 0.00 0.00 54.79 50.82 1afb n ASP 161 Cb 0.63 -0.56 0.29 0.00 -1.03 0.00 0.00 41.12 40.44 1afb n ASP 161 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1afb h GLU 162 N 1.50 0.12 -0.07 0.11 5.08 -1.85 -3.11 114.58 116.35 1afb h GLU 162 Ca 0.28 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.35 1afb h GLU 162 Cb 1.42 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.68 1afb h GLU 162 CO 0.57 0.50 -0.88 0.28 -1.00 0.00 0.00 179.01 178.49 1afb h VAL 163 N 0.10 1.29 -2.43 3.13 2.07 -1.88 -3.43 116.25 115.10 1afb h VAL 163 Ca 0.01 -2.10 -0.33 0.00 0.82 0.00 0.00 66.70 65.10 1afb h VAL 163 Cb 0.75 2.22 -0.35 0.00 -1.52 0.00 0.00 31.29 32.39 1afb h VAL 163 CO 0.06 0.65 -0.64 -0.89 0.02 0.00 0.00 177.57 176.77 1afb s THR 164 N -3.50 -0.33 -0.10 2.57 2.01 -1.20 -5.11 115.64 109.97 1afb s THR 164 Ca -0.10 -0.26 -0.40 0.00 0.31 0.00 0.00 61.69 61.24 1afb s THR 164 Cb 0.07 -0.78 -0.18 0.00 0.01 0.00 0.00 72.50 71.62 1afb s THR 164 CO 0.90 -0.31 1.39 1.21 -0.69 0.00 0.00 174.62 177.12 1afb n GLU 165 N 5.31 0.69 0.00 4.92 4.07 -1.18 -0.71 120.64 133.74 1afb n GLU 165 Ca -0.05 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 1afb n GLU 165 Cb 0.48 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 1afb n GLU 165 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1afb n GLY 166 N 2.81 3.21 3.20 8.31 0.00 -1.26 -5.00 105.19 116.46 1afb n GLY 166 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1afb n GLY 166 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1afb s GLN 167 N -0.49 2.51 0.19 1.61 0.74 0.11 -5.07 119.66 119.25 1afb s GLN 167 Ca 0.00 -1.88 -0.30 0.00 0.05 0.00 0.00 55.36 53.23 1afb s GLN 167 Cb 0.00 -3.91 -0.08 0.00 1.10 0.00 0.00 33.01 30.12 1afb s GLN 167 CO 0.00 -1.19 1.15 -0.06 -0.55 0.00 0.00 175.29 174.64 1afb s PHE 168 N 1.14 3.51 0.11 1.67 0.40 -1.26 -4.37 117.98 119.18 1afb s PHE 168 Ca 0.08 1.52 0.02 0.00 -0.60 0.00 0.00 56.93 57.95 1afb s PHE 168 Cb -0.24 -3.35 -0.04 0.00 0.51 0.00 0.00 43.02 39.89 1afb s PHE 168 CO -0.02 -0.89 -0.08 -1.64 0.70 0.00 0.00 175.22 173.30 1afb s MET 169 N -0.36 0.89 0.29 0.44 -1.94 0.20 -3.83 119.30 114.98 1afb s MET 169 Ca 0.51 -1.35 -0.29 0.00 -1.71 0.00 0.00 55.69 52.85 1afb s MET 169 Cb -0.31 -0.32 -0.09 0.00 2.01 0.00 0.00 34.83 36.12 1afb s MET 169 CO 0.36 0.01 1.05 0.71 -0.01 0.00 0.00 175.02 177.14 1afb s TYR 170 N -3.49 3.65 0.57 -0.03 2.02 0.06 -1.35 117.35 118.78 1afb s TYR 170 Ca 0.13 1.75 0.30 0.00 -0.37 0.00 0.00 57.07 58.87 1afb s TYR 170 Cb 0.04 -3.18 1.78 0.00 -0.40 0.00 0.00 41.96 40.21 1afb s TYR 170 CO -0.03 -0.28 2.23 -0.39 -1.57 0.00 0.00 175.55 175.52 1afb h VAL 171 N 2.99 0.53 -0.06 0.71 -1.51 -1.11 0.40 116.25 118.21 1afb h VAL 171 Ca -0.46 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1afb h VAL 171 Cb 1.21 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1afb h VAL 171 CO 0.67 0.02 0.00 0.35 -1.23 0.00 0.00 177.57 177.37 1afb n THR 172 N -3.81 0.07 0.00 7.19 -2.24 -1.26 -5.00 114.28 109.22 1afb n THR 172 Ca -0.03 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1afb n THR 172 Cb 0.10 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1afb n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1afb n GLY 173 N 0.98 1.69 0.00 3.38 0.00 0.14 -5.15 105.19 106.24 1afb n GLY 173 Ca 0.17 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1afb n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1afb n GLY 174 N 1.67 -0.09 3.85 -0.02 0.00 -1.26 -4.32 105.19 105.03 1afb n GLY 174 Ca 0.00 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 1afb n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1afb s ARG 175 N -3.13 3.91 0.34 1.61 3.00 -1.26 -0.76 118.95 122.66 1afb s ARG 175 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 55.73 56.25 1afb s ARG 175 Cb 0.00 -2.23 -0.12 0.00 0.00 0.00 0.00 34.95 32.59 1afb s ARG 175 CO 0.00 -0.16 1.21 1.28 0.00 0.00 0.00 175.30 177.63 1afb n LEU 176 N -1.38 3.13 -0.02 2.53 4.77 -1.25 -4.84 117.00 119.94 1afb n LEU 176 Ca 0.05 1.18 0.02 0.00 -0.03 0.00 0.00 56.01 57.23 1afb n LEU 176 Cb 0.54 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.18 1afb n LEU 176 CO 0.46 -0.76 0.04 0.35 -1.33 0.00 0.00 177.39 176.15 1afb n THR 177 N 0.22 0.00 -3.72 -5.08 -2.24 -1.26 -4.99 114.28 97.20 1afb n THR 177 Ca 0.06 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1afb n THR 177 Cb 0.36 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 1afb n THR 177 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1afb s TYR 178 N -1.14 -0.46 0.07 4.78 5.04 -1.26 -5.03 117.35 119.35 1afb s TYR 178 Ca 0.02 1.09 -0.08 0.00 -2.44 0.00 0.00 57.07 55.65 1afb s TYR 178 Cb 0.02 0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.49 1afb s TYR 178 CO 0.11 -0.25 0.16 -1.54 -1.34 0.00 0.00 175.55 172.70 1afb s SER 179 N 0.07 0.14 -0.33 4.32 1.04 -1.26 -4.97 113.70 112.72 1afb s SER 179 Ca -0.01 -0.62 0.16 0.00 0.48 0.00 0.00 55.95 55.96 1afb s SER 179 Cb -0.03 0.31 0.45 0.00 0.10 0.00 0.00 66.02 66.85 1afb s SER 179 CO 0.01 -0.67 1.18 -3.20 0.98 0.00 0.00 173.24 171.54 1afb n ASN 180 N 0.16 0.25 -4.75 7.02 5.15 -1.26 -5.06 115.26 116.77 1afb n ASN 180 Ca -0.16 -2.40 -0.41 0.00 -0.60 0.00 0.00 54.58 51.00 1afb n ASN 180 Cb 0.61 0.03 -0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1afb n ASN 180 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1afb n TRP 181 N -0.56 2.76 -1.83 1.20 7.02 -1.26 0.01 117.44 124.78 1afb n TRP 181 Ca 0.01 0.48 -0.32 0.00 -1.02 0.00 0.00 57.50 56.65 1afb n TRP 181 Cb 0.83 -2.49 0.03 0.00 -2.42 0.00 0.00 31.31 27.26 1afb n TRP 181 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1afb s LYS 182 N -2.06 3.04 0.24 -0.99 2.20 0.69 -4.65 119.74 118.21 1afb s LYS 182 Ca 0.54 1.21 -0.31 0.00 -0.36 0.00 0.00 55.97 57.05 1afb s LYS 182 Cb -0.50 -1.99 -0.13 0.00 -1.51 0.00 0.00 37.83 33.70 1afb s LYS 182 CO 0.63 -1.04 1.55 1.17 -0.36 0.00 0.00 175.35 177.30 1afb n LYS 183 N -2.42 2.40 -1.13 4.03 4.81 -1.26 -1.72 118.16 122.88 1afb n LYS 183 Ca 0.09 0.86 -0.04 0.00 -0.87 0.00 0.00 58.31 58.35 1afb n LYS 183 Cb 0.53 -2.61 -0.02 0.00 0.02 0.00 0.00 35.03 32.95 1afb n LYS 183 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1afb n ASP 184 N 2.65 -3.70 -4.22 3.14 8.00 -1.26 -5.03 116.55 116.13 1afb n ASP 184 Ca 0.12 0.11 -0.22 0.00 0.71 0.00 0.00 54.79 55.51 1afb n ASP 184 Cb 0.33 -1.59 -0.13 0.00 -0.02 0.00 0.00 41.12 39.72 1afb n ASP 184 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1afb s GLN 185 N -2.05 1.02 0.48 -1.24 -1.52 -0.70 -4.29 119.66 111.37 1afb s GLN 185 Ca 0.00 -1.00 -0.20 0.00 -1.95 0.00 0.00 55.36 52.21 1afb s GLN 185 Cb 0.00 -1.14 -0.09 0.00 -0.22 0.00 0.00 33.01 31.56 1afb s GLN 185 CO 0.00 0.27 1.02 -1.25 -0.25 0.00 0.00 175.29 175.08 1afb s PRO 186 N -1.65 3.86 0.00 2.91 0.04 -1.26 -4.53 135.00 134.37 1afb s PRO 186 Ca 0.03 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1afb s PRO 186 Cb -0.10 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1afb s PRO 186 CO 0.03 -0.37 0.39 -0.40 0.04 0.00 0.00 177.00 176.68 1afb n ASP 187 N -1.02 0.72 -4.23 6.66 5.75 -1.26 -5.03 116.55 118.13 1afb n ASP 187 Ca 0.09 -1.09 -0.30 0.00 -0.01 0.00 0.00 54.79 53.47 1afb n ASP 187 Cb 0.53 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 1afb n ASP 187 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1afb n ASP 188 N -0.05 0.29 -4.76 -1.12 2.03 -1.26 -4.86 116.55 106.83 1afb n ASP 188 Ca 0.00 -1.19 -0.39 0.00 0.52 0.00 0.00 54.79 53.73 1afb n ASP 188 Cb 0.13 -2.04 0.01 0.00 -0.72 0.00 0.00 41.12 38.50 1afb n ASP 188 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1afb s TRP 189 N -4.16 2.66 -0.04 -0.67 -0.00 -1.26 -4.21 118.94 111.26 1afb s TRP 189 Ca 0.08 1.42 0.10 0.00 -0.00 0.00 0.00 56.10 57.70 1afb s TRP 189 Cb -0.04 -3.65 -0.15 0.00 -0.00 0.00 0.00 33.47 29.62 1afb s TRP 189 CO 0.97 -2.23 0.17 0.98 -0.00 0.00 0.00 176.95 176.84 1afb n TYR 190 N -0.37 0.00 0.00 5.86 4.19 -1.26 -3.57 117.16 122.01 1afb n TYR 190 Ca 0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.27 1afb n TYR 190 Cb 0.45 -0.33 0.00 0.00 0.49 0.00 0.00 39.34 39.95 1afb n TYR 190 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1afb n GLY 191 N 2.05 -0.10 0.00 2.98 0.00 -1.26 -2.70 105.19 106.17 1afb n GLY 191 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1afb n GLY 191 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1afb n HIS 192 N -1.01 0.00 -0.37 1.61 1.44 -1.26 -4.91 115.22 110.71 1afb n HIS 192 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1afb n HIS 192 Cb 0.03 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 29.88 1afb n HIS 192 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1afb n GLY 193 N 0.82 0.81 0.00 -1.39 0.00 -1.10 -4.77 105.19 99.57 1afb n GLY 193 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1afb n GLY 193 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1afb n LEU 194 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.00 117.00 116.50 1afb n LEU 194 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1afb n LEU 194 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1afb n LEU 194 CO 0.00 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1afb n GLY 195 N 0.99 -1.31 0.40 -0.72 0.00 -1.26 -5.03 105.19 98.26 1afb n GLY 195 Ca 0.15 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.87 1afb n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1afb n GLY 196 N -0.17 -1.57 0.00 -0.02 0.00 -1.26 -4.96 105.19 97.21 1afb n GLY 196 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1afb n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1afb n GLY 197 N -2.11 0.70 2.68 -0.02 0.00 -1.26 -4.47 105.19 100.71 1afb n GLY 197 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1afb n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1afb s GLU 198 N 1.87 0.38 0.00 1.61 2.02 -1.23 -4.35 118.70 118.99 1afb s GLU 198 Ca 0.00 -0.26 0.10 0.00 0.02 0.00 0.00 54.97 54.83 1afb s GLU 198 Cb 0.00 -1.97 -0.00 0.00 0.10 0.00 0.00 34.13 32.26 1afb s GLU 198 CO 0.00 -0.65 0.63 -0.25 0.02 0.00 0.00 175.26 175.01 1afb n ASP 199 N 5.16 1.22 -4.83 -0.19 9.92 -1.16 -4.51 116.55 122.15 1afb n ASP 199 Ca -0.08 -1.11 -0.22 0.00 -0.53 0.00 0.00 54.79 52.85 1afb n ASP 199 Cb 0.48 0.46 -0.04 0.00 -0.64 0.00 0.00 41.12 41.38 1afb n ASP 199 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1afb s VAL 201 N -2.46 1.07 0.03 0.00 1.01 -1.21 -0.46 120.40 118.38 1afb s VAL 201 Ca 0.44 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.96 1afb s VAL 201 Cb -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1afb s VAL 201 CO 0.26 0.31 -0.22 0.42 0.00 0.00 0.00 175.10 175.88 1afb s THR 202 N -0.03 1.77 -0.20 3.92 -4.23 -0.04 -0.44 115.64 116.39 1afb s THR 202 Ca -0.00 -1.18 -0.18 0.00 -1.18 0.00 0.00 61.69 59.15 1afb s THR 202 Cb -0.08 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 1afb s THR 202 CO 0.01 0.29 0.48 -0.51 -0.54 0.00 0.00 174.62 174.34 1afb s ILE 203 N -0.74 5.14 0.69 2.99 2.07 0.06 -1.57 121.20 129.83 1afb s ILE 203 Ca 0.08 0.87 -0.04 0.00 -1.41 0.00 0.00 60.65 60.15 1afb s ILE 203 Cb -0.09 -3.80 0.08 0.00 0.13 0.00 0.00 42.46 38.78 1afb s ILE 203 CO 0.01 0.21 0.98 0.68 -1.91 0.00 0.00 174.94 174.91 1afb s VAL 204 N 1.49 2.31 0.31 4.00 -7.23 0.52 -2.19 120.40 119.61 1afb s VAL 204 Ca 0.22 -0.43 0.08 0.00 -1.81 0.00 0.00 61.98 60.05 1afb s VAL 204 Cb -0.15 -2.88 0.38 0.00 0.56 0.00 0.00 36.38 34.28 1afb s VAL 204 CO 0.09 0.00 1.49 0.47 -0.31 0.00 0.00 175.10 176.84 1afb n ASP 205 N -2.83 0.04 -1.32 4.85 8.00 -1.26 -0.50 116.55 123.53 1afb n ASP 205 Ca 0.10 1.60 0.04 0.00 0.71 0.00 0.00 54.79 57.24 1afb n ASP 205 Cb 0.60 -0.65 0.24 0.00 -0.02 0.00 0.00 41.12 41.29 1afb n ASP 205 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1afb n ASN 206 N -5.31 3.80 0.00 -2.24 0.23 -1.26 -4.92 115.26 105.55 1afb n ASN 206 Ca 0.27 -2.54 0.00 0.00 -0.53 0.00 0.00 54.58 51.78 1afb n ASN 206 Cb 0.90 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1afb n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1afb n GLY 207 N 0.39 2.67 3.81 4.83 0.00 0.34 -5.03 105.19 112.21 1afb n GLY 207 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1afb n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1afb s LEU 208 N 0.00 2.80 0.06 0.99 1.43 -1.26 -4.68 118.68 118.01 1afb s LEU 208 Ca 0.00 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1afb s LEU 208 Cb 0.00 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 1afb s LEU 208 CO 0.00 -1.75 0.00 0.26 0.23 0.00 0.00 176.35 175.09 1afb s TRP 209 N -3.13 3.03 -0.02 0.29 0.52 0.10 -0.36 118.94 119.37 1afb s TRP 209 Ca 0.60 0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.71 1afb s TRP 209 Cb -0.14 -1.59 0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1afb s TRP 209 CO 0.54 0.47 0.06 1.21 0.02 0.00 0.00 176.95 179.26 1afb s ASN 210 N -2.05 -0.05 0.09 2.95 2.47 -0.61 -0.22 114.94 117.52 1afb s ASN 210 Ca 0.24 0.12 -0.24 0.00 0.42 0.00 0.00 52.86 53.40 1afb s ASN 210 Cb -0.12 0.11 -0.07 0.00 -1.45 0.00 0.00 41.25 39.73 1afb s ASN 210 CO 0.16 -0.04 0.75 1.51 -3.72 0.00 0.00 177.10 175.76 1afb s ASP 211 N 0.19 7.26 0.13 -4.21 -4.77 -1.26 -0.86 116.67 113.16 1afb s ASP 211 Ca -0.01 1.50 -0.01 0.00 -3.30 0.00 0.00 52.55 50.73 1afb s ASP 211 Cb -0.02 -2.47 -0.04 0.00 -1.09 0.00 0.00 42.92 39.30 1afb s ASP 211 CO -0.01 0.12 0.05 -0.51 0.70 0.00 0.00 175.17 175.52 1afb s ILE 212 N -0.60 0.15 0.34 2.11 1.10 0.39 -4.85 121.20 119.84 1afb s ILE 212 Ca 0.36 -1.91 -0.29 0.00 -0.51 0.00 0.00 60.65 58.30 1afb s ILE 212 Cb -0.21 -2.04 -0.11 0.00 0.15 0.00 0.00 42.46 40.25 1afb s ILE 212 CO 0.24 -0.48 1.43 -0.55 -2.11 0.00 0.00 174.94 173.46 1afb s SER 213 N -3.05 6.52 0.39 4.50 0.15 -1.26 -1.63 113.70 119.30 1afb s SER 213 Ca 0.24 2.89 0.28 0.00 0.70 0.00 0.00 55.95 60.06 1afb s SER 213 Cb 0.07 -2.66 1.17 0.00 -1.71 0.00 0.00 66.02 62.90 1afb s SER 213 CO 0.02 -0.75 1.84 0.00 1.20 0.00 0.00 173.24 175.55 1afb h GLN 215 N 0.00 0.00 -7.19 0.00 4.20 -1.96 -2.15 115.11 108.01 1afb h GLN 215 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1afb h GLN 215 Cb 0.41 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.29 1afb h GLN 215 CO 0.00 0.00 0.38 0.00 -0.67 0.00 0.00 178.83 178.54 1afb s ALA 216 N -3.26 2.46 -0.30 3.87 0.00 -0.70 -4.65 121.76 119.17 1afb s ALA 216 Ca 0.06 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 1afb s ALA 216 Cb 0.06 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1afb s ALA 216 CO 0.65 -1.29 0.17 -1.12 0.00 0.00 0.00 175.76 174.17 1afb s SER 217 N -2.48 5.71 0.19 0.00 0.01 -1.26 -3.73 113.70 112.15 1afb s SER 217 Ca 0.68 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.63 1afb s SER 217 Cb -0.21 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 1afb s SER 217 CO 0.41 -0.14 0.02 -1.00 0.41 0.00 0.00 173.24 172.93 1afb s HIS 218 N 1.67 1.30 0.24 2.43 3.76 -0.59 -4.53 115.29 119.58 1afb s HIS 218 Ca 0.06 -1.04 -0.31 0.00 -0.15 0.00 0.00 55.06 53.62 1afb s HIS 218 Cb -0.17 -0.74 -0.13 0.00 1.11 0.00 0.00 32.58 32.65 1afb s HIS 218 CO 0.08 -0.22 1.39 2.41 -0.85 0.00 0.00 174.74 177.55 1afb n THR 219 N -0.30 0.98 -3.01 1.30 -1.04 -0.65 -1.27 114.28 110.29 1afb n THR 219 Ca -0.05 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 1afb n THR 219 Cb 0.64 -1.45 -0.06 0.00 -1.82 0.00 0.00 70.33 67.64 1afb n THR 219 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afb s ALA 220 N -0.10 3.50 -0.17 2.41 0.00 -0.37 -2.58 121.76 124.45 1afb s ALA 220 Ca 0.68 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1afb s ALA 220 Cb -0.66 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.25 1afb s ALA 220 CO 0.50 -1.25 -0.08 0.08 0.00 0.00 0.00 175.76 175.01 1afb s VAL 221 N 2.88 1.35 0.07 0.00 1.01 -1.26 -4.07 120.40 120.39 1afb s VAL 221 Ca 0.29 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1afb s VAL 221 Cb -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1afb s VAL 221 CO 0.14 0.19 0.24 0.00 0.00 0.00 0.00 175.10 175.67 1afb s GLU 223 N -2.56 2.17 0.01 0.00 2.12 0.11 -1.10 118.70 119.45 1afb s GLU 223 Ca 0.36 -0.90 0.06 0.00 0.36 0.00 0.00 54.97 54.84 1afb s GLU 223 Cb -0.13 -2.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 1afb s GLU 223 CO 0.28 0.57 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.33 1afb s PHE 224 N -0.78 1.55 0.81 5.30 0.08 -0.09 -1.82 117.98 123.03 1afb s PHE 224 Ca 0.12 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.71 1afb s PHE 224 Cb -0.10 -0.97 -0.01 0.00 -0.57 0.00 0.00 43.02 41.36 1afb s PHE 224 CO 0.02 0.01 0.46 -2.30 -0.10 0.00 0.00 175.22 173.31 1afb n PRO 225 N 2.37 0.08 0.00 0.24 -0.02 -1.26 -1.65 135.00 134.75 1afb n PRO 225 Ca -0.16 0.07 0.08 0.00 -2.02 0.00 0.00 63.50 61.48 1afb n PRO 225 Cb 0.54 -1.83 0.49 0.00 -0.02 0.00 0.00 33.50 32.68 1afb n PRO 225 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48