#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgw s ASN 47 N 0.00 2.57 0.00 6.41 3.84 -1.26 -5.02 114.94 121.48 1dgw s ASN 47 Ca 0.00 -0.46 0.28 0.00 0.21 0.00 0.00 52.86 52.90 1dgw s ASN 47 Cb 0.00 -1.14 1.45 0.00 -0.55 0.00 0.00 41.25 41.02 1dgw s ASN 47 CO 0.00 -0.02 1.98 -0.81 -2.79 0.00 0.00 177.10 175.46 1dgw n PRO 48 N 4.50 0.45 0.00 0.43 -0.04 -1.26 -3.52 135.00 135.55 1dgw n PRO 48 Ca -0.18 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1dgw n PRO 48 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1dgw n PRO 48 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1dgw n TYR 49 N -1.26 0.00 -3.72 0.54 4.01 -1.26 -4.92 117.16 110.55 1dgw n TYR 49 Ca 0.14 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.51 1dgw n TYR 49 Cb 0.21 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 1dgw n TYR 49 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1dgw s LEU 50 N -2.23 4.39 -0.27 7.72 2.96 -1.23 -5.07 118.68 124.95 1dgw s LEU 50 Ca 0.13 0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 1dgw s LEU 50 Cb 0.14 -2.26 0.09 0.00 0.50 0.00 0.00 46.19 44.66 1dgw s LEU 50 CO 0.48 0.33 0.10 -0.36 -1.32 0.00 0.00 176.35 175.59 1dgw s PHE 51 N -0.78 0.75 0.83 5.38 0.40 -1.26 -5.01 117.98 118.29 1dgw s PHE 51 Ca 0.17 -1.02 -0.11 0.00 -0.60 0.00 0.00 56.93 55.37 1dgw s PHE 51 Cb -0.13 -1.10 0.09 0.00 0.51 0.00 0.00 43.02 42.39 1dgw s PHE 51 CO 0.06 -0.77 1.09 1.03 0.70 0.00 0.00 175.22 177.34 1dgw s ARG 52 N 1.95 1.78 0.55 0.44 1.81 -1.26 -4.89 118.95 119.33 1dgw s ARG 52 Ca 0.07 1.03 0.37 0.00 -1.72 0.00 0.00 55.73 55.48 1dgw s ARG 52 Cb -0.16 -1.85 2.00 0.00 -0.45 0.00 0.00 34.95 34.48 1dgw s ARG 52 CO -0.26 -1.94 2.13 0.66 -0.68 0.00 0.00 175.30 175.21 1dgw h SER 53 N -1.34 0.00 -0.20 0.23 4.64 -2.00 -1.08 113.55 113.81 1dgw h SER 53 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1dgw h SER 53 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1dgw h SER 53 CO 0.52 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.02 1dgw n ASN 54 N -2.79 2.41 -0.67 4.97 6.94 -1.26 -3.00 115.26 121.85 1dgw n ASN 54 Ca -0.02 -2.27 0.06 0.00 -0.02 0.00 0.00 54.58 52.33 1dgw n ASN 54 Cb 0.06 -0.51 0.17 0.00 -2.36 0.00 0.00 39.78 37.14 1dgw n ASN 54 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1dgw n LYS 55 N 0.21 2.89 -3.71 -3.83 5.02 -0.41 -4.92 118.16 113.41 1dgw n LYS 55 Ca 0.09 -2.19 -0.36 0.00 -2.02 0.00 0.00 58.31 53.83 1dgw n LYS 55 Cb 0.52 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 1dgw n LYS 55 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1dgw s PHE 56 N -1.34 3.33 0.23 2.13 0.40 -1.16 -2.35 117.98 119.22 1dgw s PHE 56 Ca 0.26 0.22 -0.13 0.00 -0.60 0.00 0.00 56.93 56.68 1dgw s PHE 56 Cb 0.16 -2.22 -0.08 0.00 0.51 0.00 0.00 43.02 41.39 1dgw s PHE 56 CO 0.14 0.12 0.61 -0.51 0.70 0.00 0.00 175.22 176.29 1dgw s LEU 57 N 0.83 4.20 -0.34 -0.37 1.43 0.13 -4.79 118.68 119.77 1dgw s LEU 57 Ca 0.07 1.10 -0.24 0.00 -1.03 0.00 0.00 54.13 54.03 1dgw s LEU 57 Cb -0.13 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.42 1dgw s LEU 57 CO 0.02 -0.06 0.84 -0.89 0.23 0.00 0.00 176.35 176.50 1dgw s THR 58 N -1.75 4.71 -0.12 5.49 2.01 -1.26 -0.92 115.64 123.80 1dgw s THR 58 Ca 0.46 1.13 -0.21 0.00 0.31 0.00 0.00 61.69 63.39 1dgw s THR 58 Cb -0.12 -4.23 -0.18 0.00 0.01 0.00 0.00 72.50 67.98 1dgw s THR 58 CO 0.20 -0.39 0.60 -0.07 -0.69 0.00 0.00 174.62 174.26 1dgw h LEU 59 N 9.73 -0.02 -7.36 4.42 3.38 -1.51 -3.48 115.31 120.46 1dgw h LEU 59 Ca -0.24 -0.67 -0.11 0.00 0.09 0.00 0.00 57.88 56.95 1dgw h LEU 59 Cb 1.09 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 1dgw h LEU 59 CO 0.93 0.80 -0.17 0.12 0.09 0.00 0.00 178.44 180.20 1dgw s PHE 60 N -2.22 -0.34 -0.31 1.13 2.19 -1.21 -5.02 117.98 112.20 1dgw s PHE 60 Ca -0.13 0.64 0.05 0.00 0.33 0.00 0.00 56.93 57.82 1dgw s PHE 60 Cb -0.02 0.17 0.19 0.00 -1.31 0.00 0.00 43.02 42.05 1dgw s PHE 60 CO 0.49 -0.39 0.55 -1.59 1.83 0.00 0.00 175.22 176.11 1dgw s LYS 61 N -0.92 0.57 0.53 10.12 -2.85 -1.26 -1.25 119.74 124.68 1dgw s LYS 61 Ca -0.10 0.28 0.06 0.00 -1.00 0.00 0.00 55.97 55.21 1dgw s LYS 61 Cb -0.04 0.07 0.06 0.00 -2.06 0.00 0.00 37.83 35.86 1dgw s LYS 61 CO 0.04 -1.07 0.50 0.27 0.10 0.00 0.00 175.35 175.19 1dgw n ASN 62 N 5.21 2.48 -0.44 0.03 6.94 -0.80 -4.96 115.26 123.73 1dgw n ASN 62 Ca 0.05 -2.70 0.00 0.00 -0.02 0.00 0.00 54.58 51.91 1dgw n ASN 62 Cb 0.53 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1dgw n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dgw n GLN 63 N -1.87 0.60 0.00 -3.83 10.64 -1.26 -2.17 117.38 119.49 1dgw n GLN 63 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1dgw n GLN 63 Cb 0.59 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.71 1dgw n GLN 63 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1dgw n HIS 64 N 0.12 0.00 -3.20 2.61 8.25 -1.26 -5.01 115.22 116.72 1dgw n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1dgw n HIS 64 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1dgw n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dgw n GLY 65 N 2.26 -0.86 3.47 -1.41 0.00 -0.92 -1.21 105.19 106.52 1dgw n GLY 65 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 1dgw n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dgw s SER 66 N -4.00 -0.54 -0.14 1.61 1.04 0.64 -1.90 113.70 110.42 1dgw s SER 66 Ca 0.00 0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 1dgw s SER 66 Cb 0.00 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.68 1dgw s SER 66 CO 0.00 -0.76 -0.04 -0.22 0.98 0.00 0.00 173.24 173.19 1dgw s LEU 67 N -2.17 1.31 0.06 2.42 2.96 -0.38 -0.03 118.68 122.85 1dgw s LEU 67 Ca -0.02 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.44 1dgw s LEU 67 Cb -0.01 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 1dgw s LEU 67 CO -0.05 -0.18 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.62 1dgw s ARG 68 N 1.72 2.45 -0.11 1.98 0.52 0.00 -1.19 118.95 124.32 1dgw s ARG 68 Ca 0.02 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1dgw s ARG 68 Cb -0.14 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 32.87 1dgw s ARG 68 CO -0.07 0.56 -0.14 -1.17 0.02 0.00 0.00 175.30 174.49 1dgw s LEU 69 N -1.96 1.66 0.24 2.53 2.96 -0.09 -0.18 118.68 123.84 1dgw s LEU 69 Ca 0.22 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 1dgw s LEU 69 Cb -0.11 -1.06 -0.09 0.00 0.50 0.00 0.00 46.19 45.42 1dgw s LEU 69 CO 0.13 -0.01 1.10 -0.22 -1.32 0.00 0.00 176.35 176.03 1dgw s LEU 70 N 1.11 4.53 1.00 -0.68 2.96 0.17 0.22 118.68 128.00 1dgw s LEU 70 Ca -0.04 2.20 -0.11 0.00 -0.22 0.00 0.00 54.13 55.96 1dgw s LEU 70 Cb -0.14 -3.62 0.19 0.00 0.50 0.00 0.00 46.19 43.12 1dgw s LEU 70 CO -0.03 -0.17 1.10 0.00 -1.32 0.00 0.00 176.35 175.93 1dgw s GLN 71 N -1.04 0.33 0.14 1.98 -2.07 -0.99 -4.53 119.66 113.48 1dgw s GLN 71 Ca 0.46 1.28 -0.31 0.00 -1.82 0.00 0.00 55.36 54.97 1dgw s GLN 71 Cb -0.31 -1.67 -0.10 0.00 -1.09 0.00 0.00 33.01 29.84 1dgw s GLN 71 CO 0.39 -3.01 1.71 1.03 -1.32 0.00 0.00 175.29 174.08 1dgw s ARG 72 N -4.59 4.17 0.41 9.60 0.52 -1.26 -4.87 118.95 122.93 1dgw s ARG 72 Ca 0.67 2.48 0.17 0.00 -0.52 0.00 0.00 55.73 58.53 1dgw s ARG 72 Cb -0.23 -3.40 1.07 0.00 0.52 0.00 0.00 34.95 32.90 1dgw s ARG 72 CO 0.60 -0.75 1.85 0.74 0.02 0.00 0.00 175.30 177.77 1dgw h PHE 73 N 7.79 0.57 -0.37 -0.53 0.04 -1.82 0.62 116.94 123.24 1dgw h PHE 73 Ca -0.44 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.34 1dgw h PHE 73 Cb 1.21 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1dgw h PHE 73 CO 0.73 0.15 0.01 0.27 -0.60 0.00 0.00 178.31 178.87 1dgw n ASN 74 N -4.52 3.95 0.04 2.17 6.94 -1.26 -4.57 115.26 118.01 1dgw n ASN 74 Ca 0.19 -2.59 -0.01 0.00 -0.02 0.00 0.00 54.58 52.15 1dgw n ASN 74 Cb 0.69 -0.62 -0.01 0.00 -2.36 0.00 0.00 39.78 37.48 1dgw n ASN 74 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1dgw h GLU 75 N 2.44 -0.09 -0.01 -3.83 4.57 -1.24 -3.37 114.58 113.05 1dgw h GLU 75 Ca 0.01 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1dgw h GLU 75 Cb 1.45 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 1dgw h GLU 75 CO 0.32 -0.06 -0.26 -0.25 -1.18 0.00 0.00 179.01 177.58 1dgw n ASP 76 N -2.30 1.46 -3.89 1.04 9.92 -1.26 -4.94 116.55 116.57 1dgw n ASP 76 Ca -0.01 -1.20 -0.11 0.00 -0.53 0.00 0.00 54.79 52.94 1dgw n ASP 76 Cb 0.04 0.19 -0.12 0.00 -0.64 0.00 0.00 41.12 40.59 1dgw n ASP 76 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1dgw s THR 77 N -2.39 0.05 -2.05 -3.53 -1.32 -1.26 -5.02 115.64 100.12 1dgw s THR 77 Ca 0.25 -0.44 0.30 0.00 -1.21 0.00 0.00 61.69 60.59 1dgw s THR 77 Cb 0.19 -0.23 0.64 0.00 -1.51 0.00 0.00 72.50 71.59 1dgw s THR 77 CO 0.49 -0.24 1.94 -1.84 -2.21 0.00 0.00 174.62 172.77 1dgw n GLU 78 N 2.23 1.12 0.00 7.08 0.00 -1.26 -3.84 120.64 125.97 1dgw n GLU 78 Ca -0.18 -0.40 0.15 0.00 0.00 0.00 0.00 57.16 56.72 1dgw n GLU 78 Cb 0.57 -1.49 0.68 0.00 0.00 0.00 0.00 31.44 31.20 1dgw n GLU 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1dgw n LYS 79 N -0.59 0.83 -1.52 3.44 5.02 -1.26 -3.79 118.16 120.29 1dgw n LYS 79 Ca 0.19 -0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1dgw n LYS 79 Cb 0.25 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1dgw n LYS 79 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1dgw n LEU 80 N -0.87 3.70 0.29 -0.35 4.77 -1.25 -4.76 117.00 118.52 1dgw n LEU 80 Ca 0.17 -4.19 0.16 0.00 -0.03 0.00 0.00 56.01 52.12 1dgw n LEU 80 Cb 0.25 -0.34 0.87 0.00 -2.33 0.00 0.00 43.42 41.87 1dgw n LEU 80 CO 0.22 1.70 1.05 -0.08 -1.33 0.00 0.00 177.39 178.95 1dgw h GLU 81 N 1.71 0.00 0.00 3.23 4.57 -1.83 -0.74 114.58 121.52 1dgw h GLU 81 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1dgw h GLU 81 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1dgw h GLU 81 CO 0.41 0.06 0.00 0.27 -1.18 0.00 0.00 179.01 178.56 1dgw n ASN 82 N -3.46 0.00 -0.49 1.04 6.94 -1.26 -2.92 115.26 115.11 1dgw n ASN 82 Ca -0.02 -0.41 0.05 0.00 -0.02 0.00 0.00 54.58 54.18 1dgw n ASN 82 Cb 0.18 -0.19 0.13 0.00 -2.36 0.00 0.00 39.78 37.55 1dgw n ASN 82 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1dgw n LEU 83 N -1.19 2.81 0.27 -4.53 4.77 -0.29 -4.71 117.00 114.13 1dgw n LEU 83 Ca 0.17 -2.21 0.12 0.00 -0.03 0.00 0.00 56.01 54.06 1dgw n LEU 83 Cb 0.19 -0.23 0.75 0.00 -2.33 0.00 0.00 43.42 41.79 1dgw n LEU 83 CO 0.21 0.67 1.01 0.08 -1.33 0.00 0.00 177.39 178.02 1dgw h ARG 84 N 1.39 0.00 -0.01 3.23 0.11 -1.57 -2.61 114.38 114.92 1dgw h ARG 84 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dgw h ARG 84 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 1dgw h ARG 84 CO 0.03 0.09 -0.04 -0.25 0.10 0.00 0.00 179.97 179.91 1dgw n ASP 85 N -3.84 1.42 -4.71 0.08 8.00 -1.26 -3.15 116.55 113.09 1dgw n ASP 85 Ca -0.02 -1.41 -0.34 0.00 0.71 0.00 0.00 54.79 53.73 1dgw n ASP 85 Cb 0.19 0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.22 1dgw n ASP 85 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1dgw s TYR 86 N -2.07 3.19 0.02 1.24 2.02 -0.98 -1.66 117.35 119.10 1dgw s TYR 86 Ca 0.36 0.18 0.03 0.00 -0.37 0.00 0.00 57.07 57.27 1dgw s TYR 86 Cb 0.21 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 1dgw s TYR 86 CO 0.36 0.50 -0.08 1.03 -1.57 0.00 0.00 175.55 175.79 1dgw s ARG 87 N -1.27 0.60 -0.10 -0.62 1.81 -0.35 -4.63 118.95 114.40 1dgw s ARG 87 Ca 0.17 -0.48 0.01 0.00 -1.72 0.00 0.00 55.73 53.72 1dgw s ARG 87 Cb -0.12 -0.53 -0.02 0.00 -0.45 0.00 0.00 34.95 33.84 1dgw s ARG 87 CO 0.07 0.13 -0.14 0.08 -0.68 0.00 0.00 175.30 174.76 1dgw s VAL 88 N -0.63 3.02 0.17 3.52 1.01 -1.26 0.12 120.40 126.35 1dgw s VAL 88 Ca -0.01 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1dgw s VAL 88 Cb -0.06 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1dgw s VAL 88 CO 0.00 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.78 1dgw s LEU 89 N -0.07 2.53 -0.11 3.92 1.02 -0.42 0.43 118.68 125.98 1dgw s LEU 89 Ca -0.03 -1.02 -0.02 0.00 0.02 0.00 0.00 54.13 53.08 1dgw s LEU 89 Cb -0.14 -0.47 0.04 0.00 0.02 0.00 0.00 46.19 45.64 1dgw s LEU 89 CO 0.04 -0.28 0.00 -0.70 0.02 0.00 0.00 176.35 175.44 1dgw s GLU 90 N -3.71 0.72 -0.28 1.70 2.12 0.75 -1.82 118.70 118.18 1dgw s GLU 90 Ca 0.19 -0.10 -0.12 0.00 0.36 0.00 0.00 54.97 55.31 1dgw s GLU 90 Cb 0.01 -1.39 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 1dgw s GLU 90 CO 0.03 -0.40 0.23 -0.47 -0.54 0.00 0.00 175.26 174.11 1dgw s TYR 91 N 1.91 3.23 -0.13 5.30 5.04 0.84 -0.82 117.35 132.71 1dgw s TYR 91 Ca 0.03 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 1dgw s TYR 91 Cb -0.14 -2.43 0.01 0.00 0.35 0.00 0.00 41.96 39.76 1dgw s TYR 91 CO -0.06 -0.19 -0.19 0.00 -1.34 0.00 0.00 175.55 173.77 1dgw s SER 93 N 0.98 0.23 0.61 0.00 1.04 -0.48 0.23 113.70 116.32 1dgw s SER 93 Ca -0.05 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.74 1dgw s SER 93 Cb -0.15 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.31 1dgw s SER 93 CO -0.04 -0.60 0.84 -0.54 0.98 0.00 0.00 173.24 173.88 1dgw s LYS 94 N -3.33 2.17 0.49 4.02 1.02 -0.35 0.03 119.74 123.79 1dgw s LYS 94 Ca 0.01 -1.15 -0.21 0.00 0.02 0.00 0.00 55.97 54.64 1dgw s LYS 94 Cb 0.03 -2.49 -0.10 0.00 -0.52 0.00 0.00 37.83 34.76 1dgw s LYS 94 CO -0.08 -0.99 0.73 -2.30 -0.92 0.00 0.00 175.35 171.79 1dgw n PRO 95 N -2.47 0.82 -3.91 -1.68 -0.02 -1.26 -3.53 135.00 122.96 1dgw n PRO 95 Ca 0.12 0.30 -0.26 0.00 -2.02 0.00 0.00 63.50 61.65 1dgw n PRO 95 Cb 0.60 -1.82 -0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1dgw n PRO 95 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dgw n ASN 96 N 0.51 -1.45 -4.31 2.55 5.03 0.86 -4.85 115.26 113.61 1dgw n ASN 96 Ca 0.11 -0.92 -0.21 0.00 0.87 0.00 0.00 54.58 54.43 1dgw n ASN 96 Cb 0.43 -3.41 -0.11 0.00 -1.02 0.00 0.00 39.78 35.66 1dgw n ASN 96 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1dgw s THR 97 N -3.72 1.71 -0.03 3.41 -4.23 -1.11 0.17 115.64 111.84 1dgw s THR 97 Ca 0.17 -1.86 -0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1dgw s THR 97 Cb -0.09 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.01 1dgw s THR 97 CO 0.86 -0.33 0.02 -0.22 -0.54 0.00 0.00 174.62 174.42 1dgw s LEU 98 N -2.60 0.86 -0.04 4.79 0.20 -0.33 -0.32 118.68 121.24 1dgw s LEU 98 Ca 0.14 0.01 -0.30 0.00 0.69 0.00 0.00 54.13 54.67 1dgw s LEU 98 Cb -0.06 -0.19 -0.04 0.00 -0.43 0.00 0.00 46.19 45.48 1dgw s LEU 98 CO 0.06 -0.15 1.31 -0.22 -0.29 0.00 0.00 176.35 177.06 1dgw s LEU 99 N 1.38 4.29 1.17 -0.68 2.96 0.10 -2.53 118.68 125.37 1dgw s LEU 99 Ca -0.05 1.95 -0.13 0.00 -0.22 0.00 0.00 54.13 55.69 1dgw s LEU 99 Cb -0.13 -3.56 0.29 0.00 0.50 0.00 0.00 46.19 43.29 1dgw s LEU 99 CO -0.03 -0.67 1.03 -0.76 -1.32 0.00 0.00 176.35 174.60 1dgw s LEU 100 N 2.47 0.87 0.03 -0.68 1.43 0.11 -3.01 118.68 119.91 1dgw s LEU 100 Ca 0.60 1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 1dgw s LEU 100 Cb -0.28 -3.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 1dgw s LEU 100 CO 0.24 -4.28 1.64 -2.84 0.23 0.00 0.00 176.35 171.33 1dgw s PRO 101 N -4.42 4.20 0.06 1.29 0.02 -1.26 -4.59 135.00 130.30 1dgw s PRO 101 Ca 0.69 2.26 -0.26 0.00 0.02 0.00 0.00 61.00 63.70 1dgw s PRO 101 Cb -0.26 -3.73 0.09 0.00 0.02 0.00 0.00 34.50 30.62 1dgw s PRO 101 CO 0.65 -0.76 0.76 -3.38 -0.33 0.00 0.00 177.00 173.94 1dgw s HIS 102 N 3.08 -0.45 0.18 6.54 -3.43 -1.19 -1.90 115.29 118.12 1dgw s HIS 102 Ca 0.73 0.33 0.09 0.00 -0.80 0.00 0.00 55.06 55.41 1dgw s HIS 102 Cb -0.37 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.27 1dgw s HIS 102 CO 0.31 -0.67 -0.18 -3.38 -2.00 0.00 0.00 174.74 168.82 1dgw s HIS 103 N -3.22 1.87 0.34 0.38 -3.43 -0.91 -1.29 115.29 109.04 1dgw s HIS 103 Ca 0.02 -0.47 0.09 0.00 -0.80 0.00 0.00 55.06 53.90 1dgw s HIS 103 Cb -0.01 -0.91 -0.05 0.00 -1.43 0.00 0.00 32.58 30.17 1dgw s HIS 103 CO -0.09 0.37 0.02 0.45 -2.00 0.00 0.00 174.74 173.49 1dgw s SER 104 N -2.83 4.19 0.00 7.38 0.15 -1.26 -0.72 113.70 120.61 1dgw s SER 104 Ca 0.18 -1.00 0.20 0.00 0.70 0.00 0.00 55.95 56.04 1dgw s SER 104 Cb -0.05 -0.53 0.67 0.00 -1.71 0.00 0.00 66.02 64.39 1dgw s SER 104 CO 0.07 -0.25 1.50 -0.90 1.20 0.00 0.00 173.24 174.86 1dgw n ASP 105 N -0.97 1.95 -4.47 5.45 5.75 -1.05 -1.23 116.55 121.98 1dgw n ASP 105 Ca -0.04 -1.77 -0.23 0.00 -0.01 0.00 0.00 54.79 52.74 1dgw n ASP 105 Cb 0.62 -0.14 -0.11 0.00 -1.03 0.00 0.00 41.12 40.47 1dgw n ASP 105 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1dgw s SER 106 N -1.52 2.76 0.28 -1.12 0.01 -1.26 -4.65 113.70 108.21 1dgw s SER 106 Ca 0.33 -1.31 -0.17 0.00 1.31 0.00 0.00 55.95 56.10 1dgw s SER 106 Cb 0.18 -0.17 -0.09 0.00 0.21 0.00 0.00 66.02 66.15 1dgw s SER 106 CO 0.26 -0.49 0.73 -1.81 0.41 0.00 0.00 173.24 172.34 1dgw s ASP 107 N -3.51 6.90 -0.11 2.44 1.01 -0.99 -3.40 116.67 119.01 1dgw s ASP 107 Ca 0.34 1.34 0.00 0.00 0.71 0.00 0.00 52.55 54.95 1dgw s ASP 107 Cb 0.07 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.63 1dgw s ASP 107 CO 0.15 -0.10 -0.10 -0.76 0.21 0.00 0.00 175.17 174.57 1dgw s LEU 108 N -2.53 1.36 -0.42 1.23 1.43 -0.43 -1.69 118.68 117.63 1dgw s LEU 108 Ca 0.49 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 1dgw s LEU 108 Cb -0.13 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.23 1dgw s LEU 108 CO 0.19 -0.07 0.72 -0.22 0.23 0.00 0.00 176.35 177.20 1dgw s LEU 109 N 1.42 4.31 -0.11 1.79 2.96 0.67 0.15 118.68 129.87 1dgw s LEU 109 Ca 0.00 -0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.69 1dgw s LEU 109 Cb -0.13 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 1dgw s LEU 109 CO -0.06 -0.80 0.33 -0.69 -1.32 0.00 0.00 176.35 173.81 1dgw s VAL 110 N 3.04 5.24 -0.09 1.68 1.01 0.42 0.69 120.40 132.38 1dgw s VAL 110 Ca 0.27 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 1dgw s VAL 110 Cb -0.13 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1dgw s VAL 110 CO 0.20 0.45 -0.01 -0.76 0.00 0.00 0.00 175.10 174.97 1dgw s LEU 111 N -0.02 0.77 -0.83 3.92 1.43 0.54 -0.98 118.68 123.50 1dgw s LEU 111 Ca 0.19 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 52.88 1dgw s LEU 111 Cb -0.14 -0.54 0.07 0.00 0.03 0.00 0.00 46.19 45.61 1dgw s LEU 111 CO 0.07 -0.19 1.19 -0.69 0.23 0.00 0.00 176.35 176.97 1dgw s VAL 112 N 1.90 4.18 0.21 -1.59 1.01 -1.09 0.18 120.40 125.20 1dgw s VAL 112 Ca 0.05 -0.57 0.16 0.00 0.00 0.00 0.00 61.98 61.62 1dgw s VAL 112 Cb -0.13 -4.85 0.09 0.00 0.00 0.00 0.00 36.38 31.49 1dgw s VAL 112 CO -0.06 -1.68 1.71 -0.07 0.00 0.00 0.00 175.10 175.00 1dgw h LEU 113 N 11.86 0.00 -7.00 3.92 3.38 -1.58 -1.89 115.31 124.00 1dgw h LEU 113 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1dgw h LEU 113 Cb 1.04 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.58 1dgw h LEU 113 CO 1.25 0.44 0.08 -0.70 0.09 0.00 0.00 178.44 179.59 1dgw s GLU 114 N -3.64 0.78 0.45 1.13 2.12 -0.92 -4.85 118.70 113.78 1dgw s GLU 114 Ca -0.00 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.42 1dgw s GLU 114 Cb 0.12 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1dgw s GLU 114 CO 0.71 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 1dgw n GLY 115 N 3.40 -1.80 3.25 -1.50 0.00 -1.26 -1.45 105.19 105.83 1dgw n GLY 115 Ca -0.17 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 1dgw n GLY 115 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dgw s GLN 116 N 0.00 1.07 0.09 1.61 0.74 -1.26 -1.83 119.66 120.07 1dgw s GLN 116 Ca 0.00 -1.46 -0.18 0.00 0.05 0.00 0.00 55.36 53.77 1dgw s GLN 116 Cb 0.00 -0.62 0.04 0.00 1.10 0.00 0.00 33.01 33.53 1dgw s GLN 116 CO 0.00 0.07 0.43 0.00 -0.55 0.00 0.00 175.29 175.24 1dgw s ALA 117 N -3.33 -1.06 -0.43 1.58 0.00 0.25 -4.57 121.76 114.20 1dgw s ALA 117 Ca 0.17 0.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1dgw s ALA 117 Cb 0.03 0.54 0.11 0.00 0.00 0.00 0.00 23.12 23.80 1dgw s ALA 117 CO 0.01 -0.57 0.25 0.42 0.00 0.00 0.00 175.76 175.88 1dgw s ILE 118 N -3.15 3.60 -0.23 0.00 -1.09 0.10 0.17 121.20 120.60 1dgw s ILE 118 Ca -0.01 -1.97 -0.16 0.00 -2.23 0.00 0.00 60.65 56.27 1dgw s ILE 118 Cb 0.00 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1dgw s ILE 118 CO -0.07 -0.72 0.43 -0.22 -1.23 0.00 0.00 174.94 173.12 1dgw s LEU 119 N 1.21 4.10 -0.23 2.97 2.96 0.26 -0.29 118.68 129.66 1dgw s LEU 119 Ca 0.07 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 1dgw s LEU 119 Cb -0.24 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 43.93 1dgw s LEU 119 CO -0.03 -0.16 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.04 1dgw s VAL 120 N 1.77 2.62 -0.21 1.68 1.01 -0.34 -0.61 120.40 126.33 1dgw s VAL 120 Ca 0.19 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1dgw s VAL 120 Cb -0.15 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1dgw s VAL 120 CO 0.09 0.30 0.23 -0.76 0.00 0.00 0.00 175.10 174.96 1dgw s LEU 121 N 1.31 4.17 -0.26 3.92 1.43 0.09 -2.19 118.68 127.14 1dgw s LEU 121 Ca 0.01 0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1dgw s LEU 121 Cb -0.16 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1dgw s LEU 121 CO -0.07 0.06 0.16 -0.69 0.23 0.00 0.00 176.35 176.04 1dgw s VAL 122 N 0.87 5.20 0.31 -1.59 1.01 -0.14 0.32 120.40 126.37 1dgw s VAL 122 Ca 0.12 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1dgw s VAL 122 Cb -0.13 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1dgw s VAL 122 CO 0.04 0.31 0.36 0.20 0.00 0.00 0.00 175.10 176.00 1dgw s ASN 123 N 1.41 5.73 0.21 3.32 0.01 0.17 -3.93 114.94 121.87 1dgw s ASN 123 Ca 0.07 -0.26 0.24 0.00 -0.71 0.00 0.00 52.86 52.20 1dgw s ASN 123 Cb -0.15 -1.26 0.91 0.00 0.41 0.00 0.00 41.25 41.17 1dgw s ASN 123 CO 0.07 -0.30 1.73 -0.81 -1.51 0.00 0.00 177.10 176.28 1dgw n PRO 124 N -1.46 0.20 -2.53 -0.60 -0.04 -1.26 -3.28 135.00 126.02 1dgw n PRO 124 Ca -0.03 0.33 -0.16 0.00 -0.04 0.00 0.00 63.50 63.59 1dgw n PRO 124 Cb 0.58 -1.81 0.02 0.00 -0.04 0.00 0.00 33.50 32.26 1dgw n PRO 124 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1dgw n ASP 125 N -2.17 3.12 0.00 3.54 4.64 -1.26 -5.09 116.55 119.34 1dgw n ASP 125 Ca 0.04 -3.13 0.00 0.00 -1.38 0.00 0.00 54.79 50.32 1dgw n ASP 125 Cb 0.30 -0.47 0.00 0.00 -1.04 0.00 0.00 41.12 39.90 1dgw n ASP 125 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1dgw n GLY 126 N -0.37 2.04 3.11 0.27 0.00 -1.21 -5.12 105.19 103.91 1dgw n GLY 126 Ca 0.24 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 1dgw n GLY 126 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dgw s ARG 127 N -1.53 0.72 -0.20 1.61 1.70 -1.26 0.44 118.95 120.43 1dgw s ARG 127 Ca 0.00 -0.75 -0.01 0.00 -0.47 0.00 0.00 55.73 54.49 1dgw s ARG 127 Cb 0.00 -0.64 0.01 0.00 -0.57 0.00 0.00 34.95 33.75 1dgw s ARG 127 CO 0.00 0.15 -0.13 -0.51 -1.08 0.00 0.00 175.30 173.73 1dgw s ASP 128 N -1.35 3.67 -0.13 -2.89 -0.00 0.15 -4.94 116.67 111.19 1dgw s ASP 128 Ca -0.03 -0.53 -0.11 0.00 -0.00 0.00 0.00 52.55 51.88 1dgw s ASP 128 Cb -0.09 -1.60 -0.05 0.00 -0.00 0.00 0.00 42.92 41.19 1dgw s ASP 128 CO 0.01 -0.00 0.23 0.28 -0.00 0.00 0.00 175.17 175.69 1dgw s THR 129 N 1.35 5.34 -0.05 -1.27 -1.32 -1.26 -0.74 115.64 117.69 1dgw s THR 129 Ca 0.05 0.42 0.02 0.00 -1.21 0.00 0.00 61.69 60.96 1dgw s THR 129 Cb -0.14 -3.54 0.02 0.00 -1.51 0.00 0.00 72.50 67.33 1dgw s THR 129 CO -0.08 0.50 -0.08 -0.31 -2.21 0.00 0.00 174.62 172.44 1dgw s TYR 130 N -0.29 1.06 -0.69 9.09 2.02 0.22 -5.02 117.35 123.75 1dgw s TYR 130 Ca 0.16 -0.35 -0.19 0.00 -0.37 0.00 0.00 57.07 56.31 1dgw s TYR 130 Cb -0.13 -0.84 0.11 0.00 -0.40 0.00 0.00 41.96 40.70 1dgw s TYR 130 CO 0.04 -0.23 0.84 0.21 -1.57 0.00 0.00 175.55 174.84 1dgw s LYS 131 N 0.80 3.22 0.01 -0.62 2.20 -1.26 -0.58 119.74 123.50 1dgw s LYS 131 Ca -0.13 -1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 53.74 1dgw s LYS 131 Cb -0.15 -4.40 -0.04 0.00 -1.51 0.00 0.00 37.83 31.73 1dgw s LYS 131 CO 0.02 -1.61 1.09 -0.51 -0.36 0.00 0.00 175.35 173.98 1dgw s LEU 132 N 2.68 4.35 0.12 5.43 1.43 0.44 -4.89 118.68 128.24 1dgw s LEU 132 Ca 0.18 1.80 0.10 0.00 -1.03 0.00 0.00 54.13 55.18 1dgw s LEU 132 Cb -0.18 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1dgw s LEU 132 CO 0.02 -0.40 -0.23 -0.62 0.23 0.00 0.00 176.35 175.36 1dgw s ASP 133 N 1.10 3.57 -0.25 2.29 2.15 -1.26 0.85 116.67 125.12 1dgw s ASP 133 Ca 0.55 -0.66 -0.41 0.00 0.43 0.00 0.00 52.55 52.46 1dgw s ASP 133 Cb -0.24 -0.37 -0.17 0.00 -0.30 0.00 0.00 42.92 41.84 1dgw s ASP 133 CO 0.27 0.18 1.60 1.67 -0.17 0.00 0.00 175.17 178.72 1dgw n GLN 134 N 0.89 0.83 0.00 4.34 -0.06 -0.76 -0.98 117.38 121.64 1dgw n GLN 134 Ca -0.17 0.30 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 1dgw n GLN 134 Cb 0.53 -1.93 0.00 0.00 -4.06 0.00 0.00 30.24 24.78 1dgw n GLN 134 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1dgw n GLY 135 N 3.69 0.41 3.86 1.69 0.00 -0.71 -5.06 105.19 109.07 1dgw n GLY 135 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1dgw n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dgw s ASP 136 N -2.77 6.69 0.17 1.61 -0.00 -0.15 -4.95 116.67 117.28 1dgw s ASP 136 Ca 0.00 0.87 0.10 0.00 -0.00 0.00 0.00 52.55 53.52 1dgw s ASP 136 Cb 0.00 -2.21 -0.04 0.00 -0.00 0.00 0.00 42.92 40.67 1dgw s ASP 136 CO 0.00 0.16 -0.21 0.00 -0.00 0.00 0.00 175.17 175.12 1dgw s ALA 137 N -1.41 2.24 -0.24 5.23 0.00 -1.26 -2.67 121.76 123.65 1dgw s ALA 137 Ca 0.34 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.58 1dgw s ALA 137 Cb -0.14 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.79 1dgw s ALA 137 CO 0.18 0.34 0.62 -1.50 0.00 0.00 0.00 175.76 175.40 1dgw s ILE 138 N -1.80 -0.00 -0.04 0.00 1.10 -0.16 -4.96 121.20 115.33 1dgw s ILE 138 Ca 0.17 0.01 -0.18 0.00 -0.51 0.00 0.00 60.65 60.15 1dgw s ILE 138 Cb -0.07 -0.88 -0.05 0.00 0.15 0.00 0.00 42.46 41.61 1dgw s ILE 138 CO 0.08 0.01 0.50 -0.75 -2.11 0.00 0.00 174.94 172.66 1dgw s LYS 139 N 0.92 4.22 -0.32 3.50 2.20 -1.26 0.16 119.74 129.16 1dgw s LYS 139 Ca -0.05 0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 56.06 1dgw s LYS 139 Cb -0.05 -3.34 0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1dgw s LYS 139 CO -0.08 0.38 0.05 0.42 -0.36 0.00 0.00 175.35 175.77 1dgw s ILE 140 N -0.14 3.32 0.05 5.43 1.01 0.40 -4.93 121.20 126.33 1dgw s ILE 140 Ca 0.27 -1.33 -0.37 0.00 0.00 0.00 0.00 60.65 59.22 1dgw s ILE 140 Cb -0.17 -2.92 -0.16 0.00 0.01 0.00 0.00 42.46 39.22 1dgw s ILE 140 CO 0.13 -0.17 1.44 0.00 0.00 0.00 0.00 174.94 176.34 1dgw n GLN 141 N 4.70 1.32 -1.61 2.79 1.13 -1.26 -1.31 117.38 123.14 1dgw n GLN 141 Ca -0.12 0.48 -0.48 0.00 -1.94 0.00 0.00 57.00 54.93 1dgw n GLN 141 Cb 0.44 -2.15 -0.04 0.00 0.11 0.00 0.00 30.24 28.59 1dgw n GLN 141 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dgw n ALA 142 N 3.13 -0.18 -0.29 -1.58 0.00 -1.22 -1.56 120.51 118.81 1dgw n ALA 142 Ca 0.19 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1dgw n ALA 142 Cb 0.20 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1dgw n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dgw n GLY 143 N 2.28 0.87 3.68 0.00 0.00 -0.37 -4.95 105.19 106.70 1dgw n GLY 143 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1dgw n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dgw s THR 144 N -2.71 5.00 0.33 2.61 2.01 -0.60 -4.89 115.64 117.39 1dgw s THR 144 Ca 0.00 1.32 -0.27 0.00 0.31 0.00 0.00 61.69 63.05 1dgw s THR 144 Cb 0.00 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 1dgw s THR 144 CO 0.00 0.13 1.07 -2.16 -0.69 0.00 0.00 174.62 172.97 1dgw s PRO 145 N 1.71 4.43 0.08 4.92 0.04 -1.25 -4.52 135.00 140.40 1dgw s PRO 145 Ca 0.32 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 1dgw s PRO 145 Cb -0.16 -2.90 0.04 0.00 0.04 0.00 0.00 34.50 31.52 1dgw s PRO 145 CO 0.12 0.06 0.47 -0.59 0.04 0.00 0.00 177.00 177.10 1dgw s PHE 146 N -1.38 -0.34 0.02 0.56 -0.71 -0.41 -0.97 117.98 114.75 1dgw s PHE 146 Ca 0.50 0.25 0.04 0.00 -1.04 0.00 0.00 56.93 56.68 1dgw s PHE 146 Cb -0.27 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 41.83 1dgw s PHE 146 CO 0.35 -0.66 -0.12 1.52 -1.34 0.00 0.00 175.22 174.97 1dgw s TYR 147 N -2.91 1.08 -0.10 3.49 1.13 -0.93 -3.16 117.35 115.95 1dgw s TYR 147 Ca -0.03 -0.29 0.01 0.00 -1.41 0.00 0.00 57.07 55.35 1dgw s TYR 147 Cb -0.00 -0.66 -0.02 0.00 -1.10 0.00 0.00 41.96 40.18 1dgw s TYR 147 CO -0.05 0.00 -0.11 -1.17 -2.51 0.00 0.00 175.55 171.71 1dgw s LEU 148 N -0.79 2.88 -0.04 -3.49 2.96 -1.16 -1.20 118.68 117.83 1dgw s LEU 148 Ca 0.02 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1dgw s LEU 148 Cb -0.06 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1dgw s LEU 148 CO 0.00 0.25 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.43 1dgw s ILE 149 N -0.17 1.84 -0.52 6.68 1.01 0.60 0.02 121.20 130.67 1dgw s ILE 149 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 1dgw s ILE 149 Cb -0.13 -1.55 0.13 0.00 0.01 0.00 0.00 42.46 40.92 1dgw s ILE 149 CO 0.03 0.52 0.38 0.21 0.00 0.00 0.00 174.94 176.08 1dgw s ASN 150 N -0.27 5.68 0.21 3.58 2.47 0.56 0.02 114.94 127.20 1dgw s ASN 150 Ca 0.01 -2.13 0.09 0.00 0.42 0.00 0.00 52.86 51.25 1dgw s ASN 150 Cb -0.11 -1.99 0.14 0.00 -1.45 0.00 0.00 41.25 37.84 1dgw s ASN 150 CO 0.02 -0.62 1.48 1.55 -3.72 0.00 0.00 177.10 175.81 1dgw h PRO 151 N 8.15 0.00 -6.89 0.43 0.13 -1.85 0.25 132.00 132.22 1dgw h PRO 151 Ca -0.15 -0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.46 1dgw h PRO 151 Cb 1.05 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.25 1dgw h PRO 151 CO 0.81 0.77 0.62 0.34 -0.23 0.00 0.00 178.00 180.31 1dgw s ASP 152 N -6.80 6.68 0.01 1.44 2.15 -1.26 -4.52 116.67 114.38 1dgw s ASP 152 Ca -0.00 2.65 0.24 0.00 0.43 0.00 0.00 52.55 55.87 1dgw s ASP 152 Cb 0.12 -2.64 0.32 0.00 -0.30 0.00 0.00 42.92 40.41 1dgw s ASP 152 CO 0.79 -0.59 1.28 0.59 -0.17 0.00 0.00 175.17 177.06 1dgw n ASN 153 N 0.64 0.61 0.00 -0.34 4.13 -1.26 -3.10 115.26 115.93 1dgw n ASN 153 Ca 0.01 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 55.93 1dgw n ASN 153 Cb 0.42 0.43 0.00 0.00 -1.54 0.00 0.00 39.78 39.09 1dgw n ASN 153 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1dgw n ASN 154 N -1.60 0.00 -4.84 6.41 3.02 -1.26 -4.83 115.26 112.15 1dgw n ASN 154 Ca 0.05 0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.28 1dgw n ASN 154 Cb 0.35 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1dgw n ASN 154 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1dgw s GLN 155 N -0.07 4.05 0.93 3.52 -1.52 -1.26 -4.78 119.66 120.52 1dgw s GLN 155 Ca 0.00 0.76 -0.15 0.00 -1.95 0.00 0.00 55.36 54.02 1dgw s GLN 155 Cb 0.00 -2.37 0.23 0.00 -0.22 0.00 0.00 33.01 30.65 1dgw s GLN 155 CO 0.00 0.11 0.73 0.09 -0.25 0.00 0.00 175.29 175.97 1dgw n ASN 156 N -0.45 -2.33 -3.87 5.90 3.02 -1.26 -4.38 115.26 111.89 1dgw n ASN 156 Ca 0.04 -0.86 -0.22 0.00 -0.03 0.00 0.00 54.58 53.50 1dgw n ASN 156 Cb 0.53 -0.71 -0.17 0.00 -0.61 0.00 0.00 39.78 38.83 1dgw n ASN 156 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1dgw s LEU 157 N 0.00 1.12 -0.10 3.41 2.96 0.10 -4.34 118.68 121.83 1dgw s LEU 157 Ca 0.49 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1dgw s LEU 157 Cb -0.06 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.08 1dgw s LEU 157 CO 0.39 -0.10 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.98 1dgw s ARG 158 N 1.33 2.78 0.02 1.98 0.52 -0.53 -1.38 118.95 123.67 1dgw s ARG 158 Ca -0.04 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1dgw s ARG 158 Cb -0.14 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 1dgw s ARG 158 CO -0.03 0.10 -0.11 0.42 0.02 0.00 0.00 175.30 175.70 1dgw s ILE 159 N 0.54 0.85 -0.16 1.52 1.01 0.64 -1.41 121.20 124.18 1dgw s ILE 159 Ca -0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1dgw s ILE 159 Cb -0.17 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 1dgw s ILE 159 CO 0.05 0.04 -0.09 -0.22 0.00 0.00 0.00 174.94 174.72 1dgw s LEU 160 N -0.79 2.86 -0.22 2.97 2.96 0.47 -0.11 118.68 126.82 1dgw s LEU 160 Ca 0.01 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1dgw s LEU 160 Cb -0.06 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1dgw s LEU 160 CO 0.00 0.11 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.53 1dgw s LYS 161 N 0.68 3.15 -0.25 1.98 1.02 -0.75 0.20 119.74 125.77 1dgw s LYS 161 Ca -0.05 -0.77 -0.13 0.00 0.02 0.00 0.00 55.97 55.04 1dgw s LYS 161 Cb -0.15 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1dgw s LYS 161 CO 0.02 -0.26 0.29 0.12 -0.92 0.00 0.00 175.35 174.60 1dgw s PHE 162 N 1.40 3.29 -0.17 3.18 5.36 0.22 -1.30 117.98 129.96 1dgw s PHE 162 Ca 0.04 0.36 -0.10 0.00 -0.96 0.00 0.00 56.93 56.27 1dgw s PHE 162 Cb -0.15 -2.44 -0.05 0.00 -0.34 0.00 0.00 43.02 40.04 1dgw s PHE 162 CO -0.05 -0.08 0.17 0.00 -1.46 0.00 0.00 175.22 173.80 1dgw s ALA 163 N 1.54 3.70 -0.36 11.12 0.00 0.33 -0.23 121.76 137.86 1dgw s ALA 163 Ca 0.13 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1dgw s ALA 163 Cb -0.15 -2.19 0.09 0.00 0.00 0.00 0.00 23.12 20.88 1dgw s ALA 163 CO 0.08 0.24 0.10 0.42 0.00 0.00 0.00 175.76 176.60 1dgw s ILE 164 N 0.09 2.87 0.36 0.00 1.09 -0.68 -1.21 121.20 123.72 1dgw s ILE 164 Ca 0.11 -1.97 -0.07 0.00 -1.10 0.00 0.00 60.65 57.62 1dgw s ILE 164 Cb -0.12 -2.92 -0.05 0.00 -1.06 0.00 0.00 42.46 38.30 1dgw s ILE 164 CO 0.01 -0.50 0.67 0.42 -0.10 0.00 0.00 174.94 175.44 1dgw s THR 165 N 1.09 4.91 0.00 2.92 -4.23 -0.66 -2.35 115.64 117.32 1dgw s THR 165 Ca 0.05 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1dgw s THR 165 Cb -0.21 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1dgw s THR 165 CO -0.05 -0.48 0.00 2.22 -0.54 0.00 0.00 174.62 175.77 1dgw n PHE 166 N -1.29 0.00 -0.02 3.99 1.16 -1.26 -4.78 117.46 115.25 1dgw n PHE 166 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.46 1dgw n PHE 166 Cb 0.54 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.33 1dgw n PHE 166 CO 0.00 0.00 0.00 -0.09 -1.87 0.00 0.00 176.76 174.80 1dgw h ARG 167 N 0.00 0.12 -2.64 3.97 2.43 -1.93 -3.38 114.38 112.95 1dgw h ARG 167 Ca 0.00 -0.05 -0.59 0.00 -0.81 0.00 0.00 59.98 58.53 1dgw h ARG 167 Cb 0.00 -0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.15 1dgw h ARG 167 CO 0.00 0.50 -0.84 0.50 -1.51 0.00 0.00 179.97 178.62 1dgw s ARG 168 N -4.57 0.74 -0.21 0.20 3.52 -1.26 -5.11 118.95 112.26 1dgw s ARG 168 Ca -0.15 -1.55 -0.34 0.00 -0.13 0.00 0.00 55.73 53.56 1dgw s ARG 168 Cb 0.03 -1.53 -0.15 0.00 -1.56 0.00 0.00 34.95 31.74 1dgw s ARG 168 CO 0.70 -1.22 1.04 -0.35 -0.81 0.00 0.00 175.30 174.66 1dgw n PRO 169 N 3.81 0.00 -0.29 5.12 -0.04 -1.26 -1.22 135.00 141.12 1dgw n PRO 169 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1dgw n PRO 169 Cb 0.38 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1dgw n PRO 169 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dgw n GLY 170 N 2.19 1.96 3.49 0.55 0.00 -1.19 -4.91 105.19 107.28 1dgw n GLY 170 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1dgw n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dgw s THR 171 N -3.13 3.19 -0.05 2.61 2.01 -0.36 -4.93 115.64 114.98 1dgw s THR 171 Ca 0.00 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1dgw s THR 171 Cb 0.00 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.25 1dgw s THR 171 CO 0.00 0.59 -0.11 0.54 -0.69 0.00 0.00 174.62 174.94 1dgw s VAL 172 N -0.65 1.03 0.13 3.82 0.11 -1.26 -4.72 120.40 118.86 1dgw s VAL 172 Ca 0.10 -0.44 0.08 0.00 -2.93 0.00 0.00 61.98 58.79 1dgw s VAL 172 Cb -0.11 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1dgw s VAL 172 CO 0.01 0.33 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.31 1dgw s GLU 173 N 0.56 1.17 -0.08 1.54 0.41 -1.26 -5.03 118.70 116.02 1dgw s GLU 173 Ca -0.12 -1.28 0.02 0.00 -0.41 0.00 0.00 54.97 53.19 1dgw s GLU 173 Cb -0.14 -1.29 0.01 0.00 -1.78 0.00 0.00 34.13 30.93 1dgw s GLU 173 CO 0.03 0.28 -0.15 -0.51 -0.49 0.00 0.00 175.26 174.42 1dgw s ASP 174 N -2.33 2.12 -0.42 -0.19 -0.00 -1.26 -2.52 116.67 112.08 1dgw s ASP 174 Ca 0.11 -0.37 -0.09 0.00 -0.00 0.00 0.00 52.55 52.20 1dgw s ASP 174 Cb -0.07 -0.97 0.08 0.00 -0.00 0.00 0.00 42.92 41.95 1dgw s ASP 174 CO 0.05 0.05 0.27 -0.36 -0.00 0.00 0.00 175.17 175.18 1dgw s PHE 175 N 0.67 3.34 -0.17 4.23 0.40 0.10 -4.97 117.98 121.58 1dgw s PHE 175 Ca -0.14 -1.52 -0.21 0.00 -0.60 0.00 0.00 56.93 54.46 1dgw s PHE 175 Cb -0.16 -3.00 -0.03 0.00 0.51 0.00 0.00 43.02 40.34 1dgw s PHE 175 CO 0.04 -0.85 0.61 -0.06 0.70 0.00 0.00 175.22 175.66 1dgw s PHE 176 N 1.43 3.41 -0.74 0.36 0.40 -1.26 -2.14 117.98 119.44 1dgw s PHE 176 Ca 0.03 0.95 0.20 0.00 -0.60 0.00 0.00 56.93 57.51 1dgw s PHE 176 Cb -0.23 -2.76 0.84 0.00 0.51 0.00 0.00 43.02 41.37 1dgw s PHE 176 CO 0.02 -0.10 1.63 -0.11 0.70 0.00 0.00 175.22 177.36 1dgw n LEU 177 N 4.73 0.37 -4.96 -0.37 7.94 -0.80 -3.71 117.00 120.19 1dgw n LEU 177 Ca -0.02 0.58 -0.22 0.00 -1.11 0.00 0.00 56.01 55.24 1dgw n LEU 177 Cb 0.50 -0.52 -0.00 0.00 0.53 0.00 0.00 43.42 43.93 1dgw n LEU 177 CO 0.44 -0.37 0.15 -0.44 -1.11 0.00 0.00 177.39 176.06 1dgw s SER 178 N -3.68 6.02 -0.07 1.96 0.01 -1.26 -4.50 113.70 112.17 1dgw s SER 178 Ca 0.06 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1dgw s SER 178 Cb 0.10 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 1dgw s SER 178 CO 0.36 -0.46 -0.14 -0.44 0.41 0.00 0.00 173.24 172.97 1dgw s SER 179 N -4.14 4.04 0.00 2.44 0.01 -1.26 -1.89 113.70 112.90 1dgw s SER 179 Ca 0.44 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1dgw s SER 179 Cb -0.10 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1dgw s SER 179 CO 0.34 0.29 0.00 0.35 0.41 0.00 0.00 173.24 174.64 1dgw n THR 180 N 2.67 0.00 0.07 1.44 -2.24 0.31 -3.85 114.28 112.67 1dgw n THR 180 Ca -0.17 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1dgw n THR 180 Cb 0.52 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1dgw n THR 180 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1dgw h LYS 181 N 0.00 0.00 0.70 -0.78 3.64 -1.83 -3.33 116.57 114.97 1dgw h LYS 181 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1dgw h LYS 181 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1dgw h LYS 181 CO 0.00 0.35 -0.34 -0.09 -2.27 0.00 0.00 179.45 177.10 1dgw h ARG 182 N 0.00 -0.91 -2.08 1.90 2.43 -1.97 -3.47 114.38 110.28 1dgw h ARG 182 Ca -0.10 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1dgw h ARG 182 Cb 1.49 0.21 -0.18 0.00 -0.42 0.00 0.00 29.97 31.07 1dgw h ARG 182 CO 0.05 -0.61 0.31 -1.17 -1.51 0.00 0.00 179.97 177.04 1dgw s LEU 183 N -9.40 -0.55 0.02 3.80 2.96 -1.25 -5.18 118.68 109.08 1dgw s LEU 183 Ca -0.14 0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 54.05 1dgw s LEU 183 Cb 0.01 2.34 -0.06 0.00 0.50 0.00 0.00 46.19 48.98 1dgw s LEU 183 CO 0.41 -0.60 0.54 -2.16 -1.32 0.00 0.00 176.35 173.22 1dgw s PRO 184 N -1.76 4.20 -0.04 0.98 0.04 -1.26 -0.53 135.00 136.62 1dgw s PRO 184 Ca -0.05 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 61.51 1dgw s PRO 184 Cb -0.00 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 1dgw s PRO 184 CO 0.03 0.52 0.36 0.45 0.04 0.00 0.00 177.00 178.39 1dgw n SER 185 N 2.23 0.10 0.27 6.66 2.88 -0.79 -4.70 113.62 120.27 1dgw n SER 185 Ca -0.10 0.34 0.17 0.00 -1.33 0.00 0.00 58.87 57.96 1dgw n SER 185 Cb 0.51 -0.26 0.93 0.00 -0.75 0.00 0.00 64.21 64.63 1dgw n SER 185 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1dgw h TYR 186 N 1.05 0.00 0.00 0.66 -0.00 -1.81 0.30 116.97 117.16 1dgw h TYR 186 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.57 1dgw h TYR 186 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.14 1dgw h TYR 186 CO 0.17 0.00 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.17 1dgw h LEU 187 N 0.00 0.00 -0.54 0.10 3.38 -1.87 -2.44 115.31 113.94 1dgw h LEU 187 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dgw h LEU 187 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1dgw h LEU 187 CO 0.00 0.10 0.00 0.77 0.09 0.00 0.00 178.44 179.40 1dgw h SER 188 N 0.00 0.00 1.52 -0.43 4.64 -0.68 -2.97 113.55 115.63 1dgw h SER 188 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1dgw h SER 188 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1dgw h SER 188 CO 0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.89 1dgw h ALA 189 N 2.29 0.97 -2.70 5.18 0.00 -1.59 -3.45 119.26 119.97 1dgw h ALA 189 Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 1dgw h ALA 189 Cb 0.53 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.36 1dgw h ALA 189 CO 0.00 0.10 0.75 -0.06 0.00 0.00 0.00 179.25 180.04 1dgw s PHE 190 N -3.38 3.08 0.63 0.00 0.08 -1.12 -4.95 117.98 112.32 1dgw s PHE 190 Ca 0.04 1.01 -0.17 0.00 0.12 0.00 0.00 56.93 57.93 1dgw s PHE 190 Cb 0.07 -3.78 -0.05 0.00 -0.57 0.00 0.00 43.02 38.69 1dgw s PHE 190 CO 0.64 -2.59 0.75 -1.13 -0.10 0.00 0.00 175.22 172.79 1dgw n SER 191 N 2.70 -0.17 -0.23 1.36 3.41 -1.26 -4.63 113.62 114.80 1dgw n SER 191 Ca 0.08 0.73 -0.12 0.00 -0.26 0.00 0.00 58.87 59.30 1dgw n SER 191 Cb 0.41 -1.30 -0.09 0.00 -0.26 0.00 0.00 64.21 62.97 1dgw n SER 191 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1dgw h LYS 192 N 0.15 -0.22 -0.40 4.33 3.64 -1.95 -0.89 116.57 121.24 1dgw h LYS 192 Ca -0.47 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1dgw h LYS 192 Cb 1.37 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.20 1dgw h LYS 192 CO 0.48 -0.14 0.17 -0.91 -2.27 0.00 0.00 179.45 176.77 1dgw h ASN 193 N -0.23 0.22 -0.65 4.20 2.35 -2.00 -2.53 115.58 116.95 1dgw h ASN 193 Ca 0.10 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.95 1dgw h ASN 193 Cb 0.48 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.79 1dgw h ASN 193 CO -0.67 0.17 0.33 -0.26 -1.65 0.00 0.00 177.43 175.35 1dgw h PHE 194 N 0.35 0.61 0.00 1.19 -1.00 -1.70 -1.42 116.94 114.97 1dgw h PHE 194 Ca 0.18 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.91 1dgw h PHE 194 Cb 0.12 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 1dgw h PHE 194 CO -0.12 0.26 -0.34 -0.07 -1.61 0.00 0.00 178.31 176.43 1dgw h LEU 195 N 0.61 0.00 -0.26 1.54 3.38 -0.87 -2.06 115.31 117.64 1dgw h LEU 195 Ca 0.30 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.07 1dgw h LEU 195 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1dgw h LEU 195 CO -0.21 0.34 -0.70 -0.33 0.09 0.00 0.00 178.44 177.62 1dgw h GLU 196 N 0.00 0.73 -0.10 1.13 5.08 -0.88 -2.65 114.58 117.90 1dgw h GLU 196 Ca -0.00 -0.56 -0.22 0.00 -1.00 0.00 0.00 59.36 57.59 1dgw h GLU 196 Cb 0.62 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1dgw h GLU 196 CO 0.04 1.17 -0.80 0.00 -1.00 0.00 0.00 179.01 178.42 1dgw h ALA 197 N 0.68 0.39 0.80 3.43 0.00 -1.28 0.18 119.26 123.46 1dgw h ALA 197 Ca -0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1dgw h ALA 197 Cb 1.31 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1dgw h ALA 197 CO 0.14 0.72 -0.38 0.77 0.00 0.00 0.00 179.25 180.50 1dgw h SER 198 N 0.41 -0.91 0.08 0.00 0.02 -1.40 -3.17 113.55 108.58 1dgw h SER 198 Ca -0.06 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1dgw h SER 198 Cb 1.42 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.19 1dgw h SER 198 CO 0.15 -0.63 -0.03 -1.22 -1.14 0.00 0.00 176.83 173.97 1dgw n TYR 199 N -5.01 0.00 -3.87 3.45 4.01 -1.00 -4.96 117.16 109.78 1dgw n TYR 199 Ca -0.13 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.27 1dgw n TYR 199 Cb 0.42 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.42 1dgw n TYR 199 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1dgw n ASP 200 N -0.57 -3.43 -3.75 7.72 -0.08 0.60 -4.98 116.55 112.06 1dgw n ASP 200 Ca 0.20 -1.09 -0.10 0.00 -1.51 0.00 0.00 54.79 52.29 1dgw n ASP 200 Cb 0.24 -2.82 -0.05 0.00 2.34 0.00 0.00 41.12 40.83 1dgw n ASP 200 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1dgw s SER 201 N -3.76 -0.16 0.50 1.67 0.01 -1.04 -5.04 113.70 105.87 1dgw s SER 201 Ca 0.33 -0.51 -0.23 0.00 1.31 0.00 0.00 55.95 56.85 1dgw s SER 201 Cb -0.14 0.49 -0.06 0.00 0.21 0.00 0.00 66.02 66.52 1dgw s SER 201 CO 0.90 -0.92 1.34 -2.84 0.41 0.00 0.00 173.24 172.13 1dgw s PRO 202 N -3.87 3.42 0.10 12.44 0.02 -1.26 -4.61 135.00 141.24 1dgw s PRO 202 Ca 0.08 2.21 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 1dgw s PRO 202 Cb 0.01 -2.41 -0.12 0.00 0.02 0.00 0.00 34.50 32.01 1dgw s PRO 202 CO -0.06 -0.96 1.63 -0.92 -0.33 0.00 0.00 177.00 176.36 1dgw h TYR 203 N 1.84 -0.76 -0.61 6.54 3.20 -1.95 -1.72 116.97 123.50 1dgw h TYR 203 Ca -0.51 0.01 0.18 0.00 3.14 0.00 0.00 58.73 61.55 1dgw h TYR 203 Cb 1.28 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.82 1dgw h TYR 203 CO 0.48 -0.41 0.49 0.38 -1.64 0.00 0.00 178.16 177.47 1dgw h ASP 204 N -0.59 0.00 0.21 -2.11 3.04 -1.97 0.18 116.42 115.18 1dgw h ASP 204 Ca -0.01 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.60 1dgw h ASP 204 Cb 0.55 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.83 1dgw h ASP 204 CO -0.07 0.00 -0.72 -0.33 -2.04 0.00 0.00 179.24 176.08 1dgw h GLU 205 N 0.00 0.44 0.04 4.15 5.08 -1.69 0.92 114.58 123.51 1dgw h GLU 205 Ca 0.29 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1dgw h GLU 205 Cb 1.27 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1dgw h GLU 205 CO -0.00 0.99 -0.02 0.82 -1.00 0.00 0.00 179.01 179.80 1dgw h ILE 206 N 0.31 1.37 -0.02 3.13 2.04 -0.30 0.23 117.51 124.25 1dgw h ILE 206 Ca -0.03 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.42 1dgw h ILE 206 Cb 1.29 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1dgw h ILE 206 CO 0.13 0.35 0.20 -0.08 0.00 0.00 0.00 178.15 178.75 1dgw h GLU 207 N -0.69 0.00 0.07 2.37 4.81 -1.01 0.66 114.58 120.80 1dgw h GLU 207 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 1dgw h GLU 207 Cb 0.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1dgw h GLU 207 CO 0.01 0.00 -0.98 0.37 -0.73 0.00 0.00 179.01 177.68 1dgw h GLN 208 N 0.00 0.15 0.09 1.92 4.15 -0.25 -2.56 115.11 118.61 1dgw h GLN 208 Ca 0.01 -0.25 -0.30 0.00 0.77 0.00 0.00 58.65 58.88 1dgw h GLN 208 Cb 0.41 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1dgw h GLN 208 CO -0.00 1.12 -1.59 1.15 -1.93 0.00 0.00 178.83 177.58 1dgw h THR 209 N -0.61 0.85 0.00 2.39 2.02 0.97 -3.43 112.91 115.10 1dgw h THR 209 Ca -0.22 -2.33 -0.18 0.00 0.77 0.00 0.00 66.41 64.45 1dgw h THR 209 Cb 1.48 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 70.39 1dgw h THR 209 CO 0.01 0.68 -1.50 0.18 0.37 0.00 0.00 175.52 175.25 1dgw n LEU 210 N -3.89 1.93 0.18 2.58 4.77 0.22 -4.82 117.00 117.96 1dgw n LEU 210 Ca -0.29 0.37 0.02 0.00 -0.03 0.00 0.00 56.01 56.08 1dgw n LEU 210 Cb 0.90 -0.80 0.32 0.00 -2.33 0.00 0.00 43.42 41.52 1dgw n LEU 210 CO 0.36 0.04 0.68 -0.07 -1.33 0.00 0.00 177.39 177.07 1dgw h LEU 211 N -1.00 0.00-10.16 2.23 3.38 -1.62 -3.45 115.31 104.70 1dgw h LEU 211 Ca -0.27 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.20 1dgw h LEU 211 Cb 1.18 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.01 1dgw h LEU 211 CO -0.16 0.42 0.39 -1.58 0.09 0.00 0.00 178.44 177.60 1dgw s GLN 212 N -4.03 3.19 0.05 1.13 2.00 -0.96 -4.73 119.66 116.30 1dgw s GLN 212 Ca -0.02 1.40 -0.31 0.00 -2.00 0.00 0.00 55.36 54.43 1dgw s GLN 212 Cb 0.14 -2.00 -0.06 0.00 0.80 0.00 0.00 33.01 31.89 1dgw s GLN 212 CO 0.73 -0.94 1.28 -2.00 -0.50 0.00 0.00 175.29 173.85 1dgw s GLU 213 N -3.78 4.37 0.00 1.67 2.12 -1.26 -4.72 118.70 117.09 1dgw s GLU 213 Ca 0.68 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.87 1dgw s GLU 213 Cb -0.20 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1dgw s GLU 213 CO 0.34 -0.38 0.00 -1.91 -0.54 0.00 0.00 175.26 172.77 1dgw n GLU 214 N 4.38 0.00 -1.20 4.30 4.07 -1.25 -5.06 120.64 125.88 1dgw n GLU 214 Ca 0.11 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.91 1dgw n GLU 214 Cb 0.45 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 32.03 1dgw n GLU 214 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1dgw s GLN 215 N 0.20 -0.35 0.04 5.31 2.00 -1.26 -4.99 119.66 120.61 1dgw s GLN 215 Ca 0.00 0.14 0.22 0.00 -2.00 0.00 0.00 55.36 53.72 1dgw s GLN 215 Cb 0.00 -1.68 -0.17 0.00 0.80 0.00 0.00 33.01 31.96 1dgw s GLN 215 CO 0.00 -3.17 0.77 0.39 -0.50 0.00 0.00 175.29 172.78 1dgw n GLU 216 N -4.42 0.51 -4.35 1.67 1.02 -1.26 -4.67 120.64 109.14 1dgw n GLU 216 Ca 0.10 -0.07 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 1dgw n GLU 216 Cb 0.59 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 30.31 1dgw n GLU 216 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1dgw s GLY 217 N -4.16 2.13 0.00 0.62 0.00 -1.26 -3.67 107.32 100.98 1dgw s GLY 217 Ca -0.02 -1.74 0.29 0.00 0.00 0.00 0.00 44.72 43.24 1dgw s GLY 217 CO 0.85 -1.60 1.87 3.33 0.00 0.00 0.00 173.10 177.56 1dgw n VAL 218 N -0.61 0.00 -4.04 1.40 0.24 -1.26 -4.62 118.33 109.43 1dgw n VAL 218 Ca 0.01 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.34 61.97 1dgw n VAL 218 Cb 0.65 -0.36 -0.15 0.00 -1.47 0.00 0.00 33.84 32.51 1dgw n VAL 218 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1dgw s ILE 219 N -2.88 2.53 0.29 1.34 1.01 -1.26 0.10 121.20 122.33 1dgw s ILE 219 Ca 0.17 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 60.09 1dgw s ILE 219 Cb 0.19 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1dgw s ILE 219 CO 0.54 0.45 -0.17 0.68 0.00 0.00 0.00 174.94 176.43 1dgw s VAL 220 N 1.34 2.36 0.25 2.92 -7.23 -1.05 -4.89 120.40 114.10 1dgw s VAL 220 Ca 0.04 -2.35 -0.27 0.00 -1.81 0.00 0.00 61.98 57.59 1dgw s VAL 220 Cb -0.14 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 1dgw s VAL 220 CO -0.09 -0.38 0.90 -1.59 -0.31 0.00 0.00 175.10 173.63 1dgw s LYS 221 N -3.54 4.68 -0.12 4.82 0.00 -1.26 -1.19 119.74 123.13 1dgw s LYS 221 Ca 0.30 1.34 -0.29 0.00 0.00 0.00 0.00 55.97 57.32 1dgw s LYS 221 Cb -0.03 -3.09 -0.01 0.00 0.00 0.00 0.00 37.83 34.70 1dgw s LYS 221 CO 0.15 0.44 0.99 -1.64 0.00 0.00 0.00 175.35 175.28 1dgw s MET 222 N -1.52 4.40 0.00 1.78 -1.94 0.46 -4.88 119.30 117.60 1dgw s MET 222 Ca 0.43 1.34 0.11 0.00 -1.71 0.00 0.00 55.69 55.86 1dgw s MET 222 Cb -0.22 -3.55 0.64 0.00 2.01 0.00 0.00 34.83 33.71 1dgw s MET 222 CO 0.28 -0.33 1.08 -0.35 -0.01 0.00 0.00 175.02 175.69