#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dge s THR 72 N 0.00 2.84 0.23 -0.39 -4.23 -1.26 -4.89 115.64 107.94 2dge s THR 72 Ca 0.00 0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 2dge s THR 72 Cb 0.00 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.87 2dge s THR 72 CO 0.00 -0.36 1.89 -0.07 -0.54 0.00 0.00 174.62 175.54 2dge h LEU 73 N -0.98 0.94 -0.64 4.79 3.38 -2.05 -1.28 115.31 119.47 2dge h LEU 73 Ca -0.46 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2dge h LEU 73 Cb 1.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2dge h LEU 73 CO 0.63 0.66 0.20 0.44 0.09 0.00 0.00 178.44 180.45 2dge h ASP 74 N 1.10 0.94 -0.46 -0.43 3.45 -1.99 -0.31 116.42 118.72 2dge h ASP 74 Ca 0.32 -0.21 -0.06 0.00 0.43 0.00 0.00 57.03 57.51 2dge h ASP 74 Cb -0.06 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 2dge h ASP 74 CO -0.09 0.90 0.05 0.40 -1.57 0.00 0.00 179.24 178.93 2dge h ILE 75 N 0.93 1.25 -0.40 0.35 2.04 -1.87 0.28 117.51 120.10 2dge h ILE 75 Ca 0.21 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2dge h ILE 75 Cb 0.30 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2dge h ILE 75 CO -0.01 0.33 0.24 1.56 0.00 0.00 0.00 178.15 180.28 2dge h GLN 76 N 0.63 0.47 -0.43 2.37 4.20 -0.87 0.32 115.11 121.81 2dge h GLN 76 Ca 0.14 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 2dge h GLN 76 Cb 0.42 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2dge h GLN 76 CO 0.01 0.31 -0.14 -0.09 -0.67 0.00 0.00 178.83 178.26 2dge h ARG 77 N 0.49 0.84 -0.67 1.46 9.65 -0.96 -1.77 114.38 123.42 2dge h ARG 77 Ca 0.15 -0.34 0.05 0.00 -1.10 0.00 0.00 59.98 58.74 2dge h ARG 77 Cb -0.01 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.48 2dge h ARG 77 CO -0.06 0.97 0.39 0.78 2.80 0.00 0.00 179.97 184.85 2dge h GLY 78 N 0.67 0.98 1.00 2.80 0.00 -0.65 -0.84 103.07 107.03 2dge h GLY 78 Ca 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2dge h GLY 78 CO 0.05 0.20 0.17 0.00 0.00 0.00 0.00 176.54 176.96 2dge h ALA 79 N 1.32 0.76 -0.52 3.60 0.00 -0.72 -0.20 119.26 123.50 2dge h ALA 79 Ca 0.29 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2dge h ALA 79 Cb 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2dge h ALA 79 CO -0.15 0.43 0.31 1.15 0.00 0.00 0.00 179.25 180.99 2dge h THR 80 N 0.81 1.04 -0.50 0.00 2.02 -0.90 -0.49 112.91 114.90 2dge h THR 80 Ca 0.18 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 2dge h THR 80 Cb 0.30 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2dge h THR 80 CO -0.00 0.11 0.07 -0.07 0.37 0.00 0.00 175.52 175.99 2dge h LEU 81 N 0.61 0.81 -0.49 2.58 3.38 -0.94 -2.91 115.31 118.35 2dge h LEU 81 Ca 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2dge h LEU 81 Cb 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2dge h LEU 81 CO -0.10 0.87 0.23 0.15 0.09 0.00 0.00 178.44 179.68 2dge h PHE 82 N 0.71 0.71 0.00 1.13 3.57 -0.81 -0.19 116.94 122.06 2dge h PHE 82 Ca 0.15 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2dge h PHE 82 Cb 0.42 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2dge h PHE 82 CO 0.03 0.57 0.00 -0.91 -2.23 0.00 0.00 178.31 175.77 2dge h ASN 83 N 0.65 0.00 0.00 0.41 -0.26 -1.04 0.13 115.58 115.46 2dge h ASN 83 Ca 0.17 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.69 2dge h ASN 83 Cb 0.13 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 2dge h ASN 83 CO -0.02 0.00 -1.24 0.54 -1.06 0.00 0.00 177.43 175.65 2dge n ARG 84 N -2.71 0.55 -0.01 0.81 1.74 -0.99 -4.62 116.66 111.44 2dge n ARG 84 Ca 0.00 0.56 0.10 0.00 -0.77 0.00 0.00 57.85 57.75 2dge n ARG 84 Cb 0.21 -1.73 -0.15 0.00 -1.02 0.00 0.00 32.46 29.76 2dge n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dge n ALA 85 N -3.47 3.09 0.00 7.54 0.00 -0.12 -4.69 120.51 122.85 2dge n ALA 85 Ca -0.31 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2dge n ALA 85 Cb 0.65 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2dge n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dge h ILE 87 N 0.00 0.75 -0.83 0.00 2.10 -1.50 -0.42 117.51 117.60 2dge h ILE 87 Ca 0.00 -0.48 0.07 0.00 1.08 0.00 0.00 64.86 65.53 2dge h ILE 87 Cb 0.21 1.29 -0.06 0.00 -1.09 0.00 0.00 36.82 37.16 2dge h ILE 87 CO 0.00 0.12 0.50 1.23 -1.08 0.00 0.00 178.15 178.92 2dge h GLY 88 N 0.62 1.26 0.00 8.18 0.00 -1.87 -1.80 103.07 109.46 2dge h GLY 88 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2dge h GLY 88 CO 0.02 0.21 -1.45 0.00 0.00 0.00 0.00 176.54 175.32 2dge n HIS 90 N -1.86 0.21 -1.62 0.00 8.25 -0.20 -1.39 115.22 118.62 2dge n HIS 90 Ca -0.01 -1.21 -0.49 0.00 -0.26 0.00 0.00 57.72 55.74 2dge n HIS 90 Cb 0.35 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 2dge n HIS 90 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2dge n ASP 91 N -0.50 2.09 -2.38 0.41 -0.08 -0.68 -1.03 116.55 114.38 2dge n ASP 91 Ca 0.15 1.12 -0.13 0.00 -1.51 0.00 0.00 54.79 54.42 2dge n ASP 91 Cb 0.88 -1.29 -0.01 0.00 2.34 0.00 0.00 41.12 43.04 2dge n ASP 91 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2dge n THR 92 N 2.45 -0.60 -0.90 5.18 -2.24 -1.26 -1.76 114.28 115.15 2dge n THR 92 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2dge n THR 92 Cb 0.24 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 2dge n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dge n GLY 93 N -0.80 0.69 0.00 3.38 0.00 -0.20 -4.93 105.19 103.33 2dge n GLY 93 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2dge n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dge n GLY 94 N -2.58 -0.94 2.82 -0.02 0.00 -0.72 -0.06 105.19 103.69 2dge n GLY 94 Ca 0.00 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 2dge n GLY 94 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dge s ASN 95 N -1.01 0.93 0.29 1.61 3.84 -1.25 -4.09 114.94 115.26 2dge s ASN 95 Ca 0.00 -0.03 0.26 0.00 0.21 0.00 0.00 52.86 53.30 2dge s ASN 95 Cb 0.00 0.66 0.92 0.00 -0.55 0.00 0.00 41.25 42.27 2dge s ASN 95 CO 0.00 -0.31 1.76 -0.29 -2.79 0.00 0.00 177.10 175.47 2dge h ILE 96 N 6.26 0.00 0.00 -5.21 2.10 -1.56 -3.32 117.51 115.78 2dge h ILE 96 Ca -0.18 -0.41 -0.31 0.00 1.08 0.00 0.00 64.86 65.03 2dge h ILE 96 Cb 1.15 1.30 -0.05 0.00 -1.09 0.00 0.00 36.82 38.13 2dge h ILE 96 CO 0.27 0.00 -2.09 -0.38 -1.08 0.00 0.00 178.15 174.87 2dge n ILE 97 N -2.42 1.08 -3.98 2.19 5.41 -1.26 -4.97 119.36 115.41 2dge n ILE 97 Ca 0.03 -0.33 -0.33 0.00 1.00 0.00 0.00 62.75 63.12 2dge n ILE 97 Cb 0.33 -1.52 -0.14 0.00 -0.71 0.00 0.00 39.64 37.60 2dge n ILE 97 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2dge s GLN 98 N -2.37 1.93 0.39 0.38 2.00 -1.25 -5.10 119.66 115.64 2dge s GLN 98 Ca -0.27 -1.62 -0.26 0.00 -2.00 0.00 0.00 55.36 51.21 2dge s GLN 98 Cb 0.09 -3.18 -0.11 0.00 0.80 0.00 0.00 33.01 30.62 2dge s GLN 98 CO 0.38 -0.81 1.27 -2.30 -0.50 0.00 0.00 175.29 173.33 2dge n PRO 99 N 4.42 1.98 -0.97 1.67 -0.02 -1.26 -2.36 135.00 138.45 2dge n PRO 99 Ca -0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2dge n PRO 99 Cb 0.42 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2dge n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dge n GLY 100 N 0.81 0.81 2.41 -1.23 0.00 -1.26 -4.90 105.19 101.84 2dge n GLY 100 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 2dge n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dge n ALA 101 N 0.92 4.24 -1.44 4.61 0.00 -1.00 -4.75 120.51 123.10 2dge n ALA 101 Ca 0.00 -3.59 -0.30 0.00 0.00 0.00 0.00 53.44 49.56 2dge n ALA 101 Cb 0.00 -0.59 0.21 0.00 0.00 0.00 0.00 19.45 19.07 2dge n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dge s THR 102 N -4.43 1.79 -0.81 0.00 -4.23 -1.26 -4.69 115.64 102.00 2dge s THR 102 Ca 0.41 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.02 2dge s THR 102 Cb 0.39 -2.70 0.48 0.00 1.34 0.00 0.00 72.50 72.02 2dge s THR 102 CO -0.03 0.00 1.28 0.18 -0.54 0.00 0.00 174.62 175.50 2dge n LEU 103 N -4.30 3.62 -4.84 4.79 4.77 0.92 -4.20 117.00 117.77 2dge n LEU 103 Ca 0.13 -1.83 -0.33 0.00 -0.03 0.00 0.00 56.01 53.95 2dge n LEU 103 Cb 0.59 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2dge n LEU 103 CO 0.47 0.50 0.54 -0.36 -1.33 0.00 0.00 177.39 177.21 2dge s PHE 104 N -1.95 3.35 0.19 -1.77 0.08 -1.25 -4.43 117.98 112.20 2dge s PHE 104 Ca 0.33 1.41 -0.17 0.00 0.12 0.00 0.00 56.93 58.62 2dge s PHE 104 Cb 0.24 -2.70 0.17 0.00 -0.57 0.00 0.00 43.02 40.16 2dge s PHE 104 CO 0.12 -0.04 1.63 1.15 -0.10 0.00 0.00 175.22 177.98 2dge h THR 105 N 1.85 0.37 -0.87 0.64 2.02 -1.91 -0.82 112.91 114.18 2dge h THR 105 Ca -0.48 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2dge h THR 105 Cb 1.18 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2dge h THR 105 CO 0.63 0.00 0.46 0.11 0.37 0.00 0.00 175.52 177.09 2dge h LYS 106 N -0.07 1.23 -0.34 6.66 1.79 -1.96 -0.73 116.57 123.15 2dge h LYS 106 Ca 0.25 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.51 2dge h LYS 106 Cb 0.45 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2dge h LYS 106 CO -0.58 0.91 -0.01 -0.44 -1.08 0.00 0.00 179.45 178.24 2dge h ASP 107 N 1.22 0.61 -0.56 0.86 3.45 -1.69 -1.22 116.42 119.10 2dge h ASP 107 Ca 0.31 -0.32 0.04 0.00 0.43 0.00 0.00 57.03 57.48 2dge h ASP 107 Cb 0.05 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.62 2dge h ASP 107 CO -0.05 0.78 0.32 -0.07 -1.57 0.00 0.00 179.24 178.65 2dge h LEU 108 N 0.42 0.49 -0.19 1.55 3.38 -0.83 -1.59 115.31 118.55 2dge h LEU 108 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2dge h LEU 108 Cb 0.47 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2dge h LEU 108 CO 0.02 0.34 0.09 -0.33 0.09 0.00 0.00 178.44 178.65 2dge h GLU 109 N 0.62 0.28 -0.38 1.13 5.08 -1.05 0.81 114.58 121.06 2dge h GLU 109 Ca 0.23 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 2dge h GLU 109 Cb 0.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2dge h GLU 109 CO -0.13 0.32 0.26 -0.09 -1.00 0.00 0.00 179.01 178.37 2dge h ARG 110 N 0.17 0.32 -0.02 2.33 2.43 -0.96 -1.93 114.38 116.73 2dge h ARG 110 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2dge h ARG 110 Cb 0.14 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2dge h ARG 110 CO -0.01 0.21 -0.00 0.09 -1.51 0.00 0.00 179.97 178.75 2dge n ASN 111 N -4.48 2.04 -0.72 -3.80 4.13 -0.62 -4.94 115.26 106.86 2dge n ASN 111 Ca 0.04 -1.67 -0.08 0.00 1.68 0.00 0.00 54.58 54.55 2dge n ASN 111 Cb 0.21 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.43 2dge n ASN 111 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dge n GLY 112 N 1.24 0.62 2.62 7.41 0.00 -0.72 -4.93 105.19 111.44 2dge n GLY 112 Ca 0.17 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 2dge n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dge n VAL 113 N -3.25 2.90 -0.02 1.61 0.31 0.23 -4.80 118.33 115.32 2dge n VAL 113 Ca -0.08 -4.58 -0.16 0.00 -0.01 0.00 0.00 64.34 59.50 2dge n VAL 113 Cb 0.38 -1.25 -0.11 0.00 -0.91 0.00 0.00 33.84 31.95 2dge n VAL 113 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2dge h ASP 114 N 2.70 0.36 -3.79 4.52 3.04 -1.86 -3.42 116.42 117.97 2dge h ASP 114 Ca 0.42 -0.76 -0.50 0.00 -3.24 0.00 0.00 57.03 52.96 2dge h ASP 114 Cb 0.60 -0.11 0.03 0.00 -1.04 0.00 0.00 39.33 38.81 2dge h ASP 114 CO 1.10 1.07 0.19 0.42 -2.04 0.00 0.00 179.24 179.98 2dge s THR 115 N -3.21 4.81 0.37 1.15 -4.23 -1.26 -4.94 115.64 108.34 2dge s THR 115 Ca -0.15 0.52 0.07 0.00 -1.18 0.00 0.00 61.69 60.95 2dge s THR 115 Cb 0.02 -3.82 0.18 0.00 1.34 0.00 0.00 72.50 70.23 2dge s THR 115 CO 0.78 -0.79 1.93 -0.08 -0.54 0.00 0.00 174.62 175.91 2dge h GLU 116 N 0.48 0.41 -0.68 3.99 4.81 -1.92 -1.40 114.58 120.27 2dge h GLU 116 Ca -0.46 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 2dge h GLU 116 Cb 1.20 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2dge h GLU 116 CO 0.62 0.43 0.21 0.93 -0.73 0.00 0.00 179.01 180.48 2dge h GLU 117 N 0.40 1.04 -0.18 1.92 3.07 -1.96 -1.57 114.58 117.30 2dge h GLU 117 Ca 0.09 -0.21 -0.17 0.00 -0.50 0.00 0.00 59.36 58.56 2dge h GLU 117 Cb 0.26 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2dge h GLU 117 CO 0.01 0.89 -0.60 0.93 -1.40 0.00 0.00 179.01 178.84 2dge h GLU 118 N 1.01 0.61 -0.52 2.33 4.39 -1.77 -1.68 114.58 118.95 2dge h GLU 118 Ca 0.22 -0.41 0.02 0.00 0.34 0.00 0.00 59.36 59.53 2dge h GLU 118 Cb 0.29 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2dge h GLU 118 CO -0.01 1.03 0.32 0.82 -1.16 0.00 0.00 179.01 180.01 2dge h ILE 119 N 0.46 1.08 -0.46 3.13 2.04 -1.06 -0.05 117.51 122.64 2dge h ILE 119 Ca -0.00 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2dge h ILE 119 Cb 1.16 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2dge h ILE 119 CO 0.12 0.12 0.25 0.22 0.00 0.00 0.00 178.15 178.86 2dge h TYR 120 N 0.65 0.47 -0.21 1.37 3.20 -1.17 -1.07 116.97 120.20 2dge h TYR 120 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2dge h TYR 120 Cb -0.01 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2dge h TYR 120 CO -0.06 0.25 0.13 -0.09 -1.64 0.00 0.00 178.16 176.76 2dge h ARG 121 N 0.50 0.28 -0.37 1.82 2.43 -0.65 0.38 114.38 118.78 2dge h ARG 121 Ca 0.19 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2dge h ARG 121 Cb 0.06 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2dge h ARG 121 CO -0.11 0.21 0.18 0.28 -1.51 0.00 0.00 179.97 179.02 2dge h VAL 122 N 0.27 1.17 -0.44 0.20 2.07 -0.89 -0.07 116.25 118.56 2dge h VAL 122 Ca 0.08 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2dge h VAL 122 Cb -0.01 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2dge h VAL 122 CO -0.02 0.18 0.15 0.74 0.02 0.00 0.00 177.57 178.64 2dge h THR 123 N 0.47 1.18 0.02 2.57 2.02 -0.98 0.18 112.91 118.35 2dge h THR 123 Ca 0.13 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 2dge h THR 123 Cb 0.12 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2dge h THR 123 CO -0.02 0.22 -0.01 0.22 0.37 0.00 0.00 175.52 176.31 2dge h TYR 124 N 0.63 -0.02 0.00 3.16 3.20 -0.46 0.34 116.97 123.81 2dge h TYR 124 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2dge h TYR 124 Cb 0.17 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2dge h TYR 124 CO 0.01 0.71 -1.75 1.19 -1.64 0.00 0.00 178.16 176.68 2dge n PHE 125 N -4.73 0.06 0.00 -3.82 3.01 -0.08 -1.09 117.46 110.81 2dge n PHE 125 Ca -0.09 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2dge n PHE 125 Cb 0.36 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 2dge n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dge n GLY 126 N 1.30 -1.20 3.15 1.37 0.00 0.62 -4.27 105.19 106.16 2dge n GLY 126 Ca -0.02 -1.61 0.04 0.00 0.00 0.00 0.00 46.02 44.43 2dge n GLY 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dge s LYS 127 N -1.53 0.46 6.40 1.61 2.20 -0.09 -4.78 119.74 124.00 2dge s LYS 127 Ca 0.00 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 2dge s LYS 127 Cb 0.00 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 2dge s LYS 127 CO 0.00 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 2dge n GLY 128 N 5.40 3.87 0.00 5.54 0.00 -1.26 -0.99 105.19 117.75 2dge n GLY 128 Ca 0.01 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.33 2dge n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dge n ARG 129 N 14.00 0.83 -2.81 1.61 5.12 -1.26 -4.60 116.66 129.55 2dge n ARG 129 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 2dge n ARG 129 Cb 0.00 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.76 2dge n ARG 129 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 2dge s MET 130 N -2.11 3.71 0.49 5.56 1.75 -0.16 -5.03 119.30 123.51 2dge s MET 130 Ca 0.41 0.40 -0.21 0.00 -1.25 0.00 0.00 55.69 55.04 2dge s MET 130 Cb 0.20 -3.85 -0.07 0.00 2.84 0.00 0.00 34.83 33.95 2dge s MET 130 CO 0.36 -1.06 1.12 -1.25 -0.65 0.00 0.00 175.02 173.53 2dge s PRO 131 N 3.60 3.65 0.18 4.11 0.04 -1.26 -0.91 135.00 144.41 2dge s PRO 131 Ca 0.38 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 2dge s PRO 131 Cb -0.11 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 2dge s PRO 131 CO 0.22 -0.60 0.54 0.20 0.04 0.00 0.00 177.00 177.40 2dge s GLY 132 N -1.66 2.36 0.00 0.56 0.00 0.02 -4.37 107.32 104.24 2dge s GLY 132 Ca 0.67 -0.22 0.06 0.00 0.00 0.00 0.00 44.72 45.23 2dge s GLY 132 CO 0.28 -0.02 0.30 0.69 0.00 0.00 0.00 173.10 174.36 2dge n PHE 133 N 0.35 0.00 -2.08 1.90 3.01 0.11 -0.99 117.46 119.75 2dge n PHE 133 Ca -0.03 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.10 2dge n PHE 133 Cb 0.52 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.00 2dge n PHE 133 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2dge s GLY 134 N -1.45 2.26 0.45 1.37 0.00 -0.25 -0.44 107.32 109.26 2dge s GLY 134 Ca 0.03 0.52 0.15 0.00 0.00 0.00 0.00 44.72 45.41 2dge s GLY 134 CO 0.23 0.85 2.01 -2.09 0.00 0.00 0.00 173.10 174.09 2dge h GLU 135 N 0.61 0.32 -0.50 2.90 4.57 -1.88 -1.94 114.58 118.66 2dge h GLU 135 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2dge h GLU 135 Cb 1.23 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2dge h GLU 135 CO 0.57 0.21 0.00 1.63 -1.18 0.00 0.00 179.01 180.24 2dge n LYS 136 N -4.46 3.59 -1.75 1.92 5.02 -1.26 -4.97 118.16 116.25 2dge n LYS 136 Ca 0.08 -2.79 -0.42 0.00 -2.02 0.00 0.00 58.31 53.16 2dge n LYS 136 Cb 0.35 -1.84 -0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2dge n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dge s THR 138 N -1.01 0.00 0.94 0.00 2.01 -1.26 -4.71 115.64 111.61 2dge s THR 138 Ca 0.55 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 2dge s THR 138 Cb -0.51 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.20 2dge s THR 138 CO 0.62 0.00 1.29 -2.16 -0.69 0.00 0.00 174.62 173.68 2dge s PRO 139 N -0.15 0.63 0.30 4.92 0.04 -1.26 -4.88 135.00 134.61 2dge s PRO 139 Ca -0.03 -0.61 0.05 0.00 0.04 0.00 0.00 61.00 60.45 2dge s PRO 139 Cb -0.03 -1.92 0.72 0.00 0.04 0.00 0.00 34.50 33.32 2dge s PRO 139 CO 0.04 -2.37 1.77 0.00 0.04 0.00 0.00 177.00 176.48 2dge h ARG 140 N -1.54 0.70 0.00 4.56 2.47 -1.95 0.15 114.38 118.77 2dge h ARG 140 Ca -0.43 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2dge h ARG 140 Cb 1.23 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2dge h ARG 140 CO 0.35 0.46 0.00 0.41 0.56 0.00 0.00 179.97 181.75 2dge n GLY 141 N -1.33 -1.12 0.31 0.04 0.00 -1.26 -1.34 105.19 100.49 2dge n GLY 141 Ca 0.23 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.51 2dge n GLY 141 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dge n GLN 142 N -2.25 1.01 -4.42 1.61 -0.06 0.04 -4.98 117.38 108.33 2dge n GLN 142 Ca 0.01 -0.62 -0.25 0.00 -2.00 0.00 0.00 57.00 54.13 2dge n GLN 142 Cb 0.15 -1.49 -0.11 0.00 -4.06 0.00 0.00 30.24 24.73 2dge n GLN 142 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dge n THR 144 N 0.02 2.33 0.80 0.00 5.66 -0.16 -4.75 114.28 118.18 2dge n THR 144 Ca -0.11 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.52 2dge n THR 144 Cb 0.57 -1.22 0.41 0.00 -1.55 0.00 0.00 70.33 68.54 2dge n THR 144 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2dge n PHE 145 N -0.26 0.40 -1.84 1.09 0.99 -1.26 -4.84 117.46 111.73 2dge n PHE 145 Ca 0.09 0.11 -0.19 0.00 -0.00 0.00 0.00 57.45 57.46 2dge n PHE 145 Cb 0.38 -0.63 0.13 0.00 -1.00 0.00 0.00 39.48 38.36 2dge n PHE 145 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2dge n GLY 146 N 1.41 -0.87 3.74 1.37 0.00 -1.26 -5.02 105.19 104.55 2dge n GLY 146 Ca 0.06 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 2dge n GLY 146 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dge n PRO 147 N -2.75 2.18 -2.16 1.61 -0.02 -1.26 -4.96 135.00 127.64 2dge n PRO 147 Ca 0.11 0.78 -0.39 0.00 -2.02 0.00 0.00 63.50 61.98 2dge n PRO 147 Cb 0.39 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.33 2dge n PRO 147 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2dge s ARG 148 N -2.29 3.91 0.31 -0.52 1.81 -1.26 -5.02 118.95 115.89 2dge s ARG 148 Ca 0.60 1.98 -0.11 0.00 -1.72 0.00 0.00 55.73 56.48 2dge s ARG 148 Cb -0.48 -2.63 -0.07 0.00 -0.45 0.00 0.00 34.95 31.32 2dge s ARG 148 CO 0.59 -0.49 0.66 -0.51 -0.68 0.00 0.00 175.30 174.87 2dge s LEU 149 N -2.63 4.03 0.65 2.53 1.43 0.41 -4.93 118.68 120.17 2dge s LEU 149 Ca 0.59 1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 54.59 2dge s LEU 149 Cb -0.34 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.01 2dge s LEU 149 CO 0.43 -0.21 1.08 -1.10 0.23 0.00 0.00 176.35 176.77 2dge s GLN 150 N -3.25 3.01 0.22 1.70 -0.21 -1.26 -4.05 119.66 115.83 2dge s GLN 150 Ca 0.50 1.21 -0.08 0.00 0.02 0.00 0.00 55.36 57.01 2dge s GLN 150 Cb -0.11 -1.99 0.34 0.00 1.00 0.00 0.00 33.01 32.26 2dge s GLN 150 CO 0.24 -1.06 1.73 -0.44 -2.12 0.00 0.00 175.29 173.64 2dge h ASP 151 N -0.02 0.20 -0.23 5.90 5.19 -1.97 -1.11 116.42 124.38 2dge h ASP 151 Ca -0.46 0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 55.99 2dge h ASP 151 Cb 1.23 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 2dge h ASP 151 CO 0.56 0.10 -0.01 -0.08 -3.12 0.00 0.00 179.24 176.69 2dge h GLU 152 N 0.39 0.54 -0.57 3.56 4.81 -1.99 -0.81 114.58 120.52 2dge h GLU 152 Ca 0.35 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 2dge h GLU 152 Cb 0.48 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2dge h GLU 152 CO -0.36 0.58 -0.07 0.93 -0.73 0.00 0.00 179.01 179.36 2dge h GLU 153 N 0.52 1.05 -0.15 1.92 5.08 -1.61 -1.20 114.58 120.19 2dge h GLU 153 Ca 0.11 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 57.98 2dge h GLU 153 Cb 0.35 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2dge h GLU 153 CO 0.01 1.06 -0.46 0.82 -1.00 0.00 0.00 179.01 179.44 2dge h ILE 154 N 0.94 1.32 -0.22 3.13 2.04 -0.82 -0.39 117.51 123.50 2dge h ILE 154 Ca 0.15 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.36 2dge h ILE 154 Cb 0.63 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 2dge h ILE 154 CO 0.04 0.50 0.15 0.50 0.00 0.00 0.00 178.15 179.35 2dge h LYS 155 N 0.31 0.30 -0.31 2.37 3.11 -0.93 -0.25 116.57 121.17 2dge h LYS 155 Ca 0.02 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 2dge h LYS 155 Cb 0.93 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.08 2dge h LYS 155 CO 0.08 0.20 -0.12 -0.07 -2.81 0.00 0.00 179.45 176.72 2dge h LEU 156 N 0.30 0.50 -0.46 5.20 3.38 -0.88 -1.38 115.31 121.98 2dge h LEU 156 Ca 0.08 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2dge h LEU 156 Cb -0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2dge h LEU 156 CO -0.02 0.66 -0.29 -0.07 0.09 0.00 0.00 178.44 178.81 2dge h LEU 157 N 0.48 1.00 -0.73 1.67 3.38 -0.80 0.28 115.31 120.58 2dge h LEU 157 Ca 0.09 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 2dge h LEU 157 Cb 0.50 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2dge h LEU 157 CO 0.03 1.21 -0.24 0.00 0.09 0.00 0.00 178.44 179.53 2dge h ALA 158 N 0.85 0.91 -0.53 1.53 0.00 -0.72 -1.31 119.26 119.99 2dge h ALA 158 Ca 0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2dge h ALA 158 Cb 0.88 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2dge h ALA 158 CO 0.08 0.62 0.18 1.49 0.00 0.00 0.00 179.25 181.62 2dge h GLU 159 N 0.61 0.81 -0.30 0.00 4.81 -1.08 -0.75 114.58 118.67 2dge h GLU 159 Ca 0.08 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2dge h GLU 159 Cb 0.74 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2dge h GLU 159 CO 0.06 0.73 0.12 0.35 -0.73 0.00 0.00 179.01 179.53 2dge h PHE 160 N 0.72 0.47 -0.50 0.92 3.57 -0.66 -0.95 116.94 120.51 2dge h PHE 160 Ca 0.17 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 2dge h PHE 160 Cb 0.24 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2dge h PHE 160 CO 0.01 0.46 -0.07 0.28 -2.23 0.00 0.00 178.31 176.77 2dge h VAL 161 N 0.34 1.27 -0.45 1.41 2.07 -1.17 0.13 116.25 119.85 2dge h VAL 161 Ca 0.10 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2dge h VAL 161 Cb 0.19 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2dge h VAL 161 CO -0.01 0.41 0.25 0.50 0.02 0.00 0.00 177.57 178.75 2dge h LYS 162 N 0.78 0.62 -0.05 1.57 1.63 -1.04 0.54 116.57 120.62 2dge h LYS 162 Ca 0.13 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2dge h LYS 162 Cb 0.61 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2dge h LYS 162 CO 0.04 0.49 0.03 0.35 -3.45 0.00 0.00 179.45 176.91 2dge h PHE 163 N 0.59 0.08 -0.76 1.91 -0.00 -0.94 -1.11 116.94 116.70 2dge h PHE 163 Ca 0.16 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.08 2dge h PHE 163 Cb 0.05 -0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 35.94 2dge h PHE 163 CO -0.02 0.16 0.31 1.96 -0.00 0.00 0.00 178.31 180.72 2dge h GLN 164 N -0.03 1.12 -0.50 1.11 1.08 -0.59 -1.23 115.11 116.07 2dge h GLN 164 Ca 0.02 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 2dge h GLN 164 Cb 0.11 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2dge h GLN 164 CO -0.00 0.90 0.17 0.00 -0.95 0.00 0.00 178.83 178.95 2dge h ALA 165 N 1.24 0.65 -0.41 3.87 0.00 -0.73 0.10 119.26 123.98 2dge h ALA 165 Ca 0.26 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2dge h ALA 165 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2dge h ALA 165 CO -0.02 0.29 0.27 -0.44 0.00 0.00 0.00 179.25 179.35 2dge h ASP 166 N 0.67 0.43 1.26 0.00 3.45 -0.76 -2.10 116.42 119.37 2dge h ASP 166 Ca 0.16 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.61 2dge h ASP 166 Cb 0.24 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 2dge h ASP 166 CO -0.01 0.30 -0.34 1.56 -1.57 0.00 0.00 179.24 179.18 2dge h GLN 167 N 0.50 0.00 -1.02 3.56 1.08 -0.61 -3.48 115.11 115.14 2dge h GLN 167 Ca 0.16 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.25 2dge h GLN 167 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2dge h GLN 167 CO -0.04 0.00 -0.14 0.41 -0.95 0.00 0.00 178.83 178.11 2dge n GLY 168 N 1.28 0.23 3.62 3.46 0.00 0.14 -4.41 105.19 109.51 2dge n GLY 168 Ca 0.04 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 2dge n GLY 168 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dge n TRP 169 N -3.85 -2.08 1.65 1.61 7.02 -0.01 -5.02 117.44 116.75 2dge n TRP 169 Ca -0.05 0.61 0.13 0.00 -1.02 0.00 0.00 57.50 57.17 2dge n TRP 169 Cb 0.54 -3.38 0.78 0.00 -2.42 0.00 0.00 31.31 26.83 2dge n TRP 169 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32