#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwl h ALA 2 N 0.00 0.99 -0.52 2.12 0.00 -1.99 -0.89 119.26 118.97 1iwl h ALA 2 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1iwl h ALA 2 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1iwl h ALA 2 CO 0.00 0.58 0.15 0.00 0.00 0.00 0.00 179.25 179.99 1iwl h ALA 3 N 1.17 0.68 -0.25 0.00 0.00 -1.95 -0.25 119.26 118.67 1iwl h ALA 3 Ca 0.26 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1iwl h ALA 3 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1iwl h ALA 3 CO -0.03 0.35 -0.48 0.66 0.00 0.00 0.00 179.25 179.75 1iwl h SER 4 N 0.71 0.73 -0.16 0.00 4.64 -1.97 -2.09 113.55 115.42 1iwl h SER 4 Ca 0.17 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1iwl h SER 4 Cb 0.29 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1iwl h SER 4 CO -0.00 1.09 0.07 -0.78 -0.87 0.00 0.00 176.83 176.34 1iwl h ASP 5 N 0.53 0.21 -0.16 4.97 3.58 -0.96 -1.11 116.42 123.49 1iwl h ASP 5 Ca 0.03 -0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.37 1iwl h ASP 5 Cb 1.04 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.01 1iwl h ASP 5 CO 0.10 0.29 -0.01 0.25 -2.88 0.00 0.00 179.24 176.99 1iwl h LEU 6 N 0.11 -0.09 -0.75 2.28 5.85 -1.00 -1.64 115.31 120.08 1iwl h LEU 6 Ca 0.05 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1iwl h LEU 6 Cb 0.14 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1iwl h LEU 6 CO -0.01 -0.02 0.49 0.50 -0.34 0.00 0.00 178.44 179.06 1iwl h LYS 7 N 0.04 0.95 -0.77 1.25 3.64 -1.21 -1.16 116.57 119.30 1iwl h LYS 7 Ca 0.07 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1iwl h LYS 7 Cb 0.10 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 1iwl h LYS 7 CO -0.14 0.63 0.51 0.66 -2.27 0.00 0.00 179.45 178.84 1iwl h SER 8 N 0.98 0.88 -0.76 4.20 4.64 -0.80 -1.75 113.55 120.93 1iwl h SER 8 Ca 0.29 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1iwl h SER 8 Cb -0.06 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.78 1iwl h SER 8 CO -0.08 0.64 0.38 0.03 -0.87 0.00 0.00 176.83 176.93 1iwl h ARG 9 N 1.04 1.08 0.00 4.77 3.08 -0.63 -1.10 114.38 122.63 1iwl h ARG 9 Ca 0.28 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1iwl h ARG 9 Cb -0.12 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.73 1iwl h ARG 9 CO -0.06 0.83 0.00 1.28 -1.07 0.00 0.00 179.97 180.95 1iwl n LEU 10 N -4.41 0.00 -0.07 3.04 4.77 -0.50 -2.70 117.00 117.14 1iwl n LEU 10 Ca 0.07 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1iwl n LEU 10 Cb 0.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1iwl n LEU 10 CO 0.39 0.00 0.11 0.47 -1.33 0.00 0.00 177.39 177.03 1iwl n ASP 11 N -0.97 0.64 -0.25 -1.43 8.00 -0.70 -4.74 116.55 117.09 1iwl n ASP 11 Ca 0.20 -0.82 0.05 0.00 0.71 0.00 0.00 54.79 54.93 1iwl n ASP 11 Cb 0.09 0.64 0.18 0.00 -0.02 0.00 0.00 41.12 42.01 1iwl n ASP 11 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1iwl h LYS 12 N 0.34 0.37 -4.74 -1.24 1.63 -1.02 -3.37 116.57 108.54 1iwl h LYS 12 Ca 0.00 -0.02 -0.68 0.00 -0.85 0.00 0.00 60.65 59.10 1iwl h LYS 12 Cb 0.14 -0.08 -0.24 0.00 -0.60 0.00 0.00 32.23 31.45 1iwl h LYS 12 CO 0.00 0.24 -0.56 0.08 -3.45 0.00 0.00 179.45 175.76 1iwl s VAL 13 N -6.03 4.43 0.19 2.00 1.01 -1.26 -4.99 120.40 115.76 1iwl s VAL 13 Ca -0.13 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1iwl s VAL 13 Cb 0.20 -3.31 0.12 0.00 0.00 0.00 0.00 36.38 33.39 1iwl s VAL 13 CO 0.76 0.00 1.81 0.77 0.00 0.00 0.00 175.10 178.44 1iwl h SER 14 N 8.34 0.87 -3.63 3.32 4.64 -1.96 -3.44 113.55 121.70 1iwl h SER 14 Ca -0.30 -0.10 -0.35 0.00 -0.47 0.00 0.00 61.79 60.57 1iwl h SER 14 Cb 1.13 -0.22 -0.32 0.00 -0.31 0.00 0.00 62.40 62.68 1iwl h SER 14 CO 0.62 0.72 -0.75 -0.44 -0.87 0.00 0.00 176.83 176.11 1iwl s SER 15 N -6.02 0.56 0.18 4.97 0.01 -1.26 -0.26 113.70 111.89 1iwl s SER 15 Ca -0.13 -0.07 -0.24 0.00 1.31 0.00 0.00 55.95 56.82 1iwl s SER 15 Cb 0.14 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.21 1iwl s SER 15 CO 0.79 -0.03 0.85 0.72 0.41 0.00 0.00 173.24 175.98 1iwl s PHE 16 N 0.57 -0.19 -0.12 2.43 -0.12 -0.73 -1.07 117.98 118.75 1iwl s PHE 16 Ca -0.06 -0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1iwl s PHE 16 Cb -0.09 0.65 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 1iwl s PHE 16 CO -0.01 -0.95 -0.04 -1.58 -0.05 0.00 0.00 175.22 172.60 1iwl s HIS 17 N -3.52 1.23 -0.10 3.49 5.65 -0.09 -1.04 115.29 120.92 1iwl s HIS 17 Ca 0.11 -0.65 0.04 0.00 0.25 0.00 0.00 55.06 54.80 1iwl s HIS 17 Cb -0.03 -1.10 0.00 0.00 -1.18 0.00 0.00 32.58 30.27 1iwl s HIS 17 CO 0.02 -0.49 -0.23 0.00 -0.65 0.00 0.00 174.74 173.39 1iwl s ALA 18 N 1.79 2.12 -0.10 1.58 0.00 0.48 -0.28 121.76 127.34 1iwl s ALA 18 Ca 0.03 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1iwl s ALA 18 Cb -0.13 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1iwl s ALA 18 CO -0.07 0.28 -0.03 0.45 0.00 0.00 0.00 175.76 176.39 1iwl s SER 19 N 0.35 4.91 0.05 0.00 0.15 -0.11 -0.66 113.70 118.39 1iwl s SER 19 Ca -0.19 0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1iwl s SER 19 Cb -0.18 -1.47 -0.02 0.00 -1.71 0.00 0.00 66.02 62.64 1iwl s SER 19 CO 0.09 0.31 -0.12 -0.36 1.20 0.00 0.00 173.24 174.35 1iwl s PHE 20 N -0.47 1.05 -0.03 3.44 0.40 0.21 -0.18 117.98 122.41 1iwl s PHE 20 Ca 0.08 -0.42 -0.23 0.00 -0.60 0.00 0.00 56.93 55.75 1iwl s PHE 20 Cb -0.12 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 1iwl s PHE 20 CO 0.02 0.01 0.69 0.95 0.70 0.00 0.00 175.22 177.60 1iwl s THR 21 N -1.12 4.94 -0.01 0.64 -4.23 -0.07 -0.47 115.64 115.33 1iwl s THR 21 Ca -0.03 1.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.95 1iwl s THR 21 Cb -0.09 -4.04 -0.03 0.00 1.34 0.00 0.00 72.50 69.68 1iwl s THR 21 CO 0.01 0.31 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.80 1iwl s GLN 22 N 0.39 2.70 -0.05 3.99 0.74 0.16 -1.58 119.66 126.01 1iwl s GLN 22 Ca 0.36 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 55.15 1iwl s GLN 22 Cb -0.18 -2.61 0.02 0.00 1.10 0.00 0.00 33.01 31.34 1iwl s GLN 22 CO 0.19 0.62 -0.06 0.15 -0.55 0.00 0.00 175.29 175.65 1iwl s LYS 23 N -1.41 0.99 0.01 1.67 1.02 -0.18 0.17 119.74 122.01 1iwl s LYS 23 Ca 0.18 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.04 1iwl s LYS 23 Cb -0.11 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.21 1iwl s LYS 23 CO 0.08 -0.09 -0.07 0.08 -0.92 0.00 0.00 175.35 174.43 1iwl s VAL 24 N 0.98 0.55 -0.03 3.17 1.01 0.49 -0.48 120.40 126.08 1iwl s VAL 24 Ca -0.10 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1iwl s VAL 24 Cb -0.14 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1iwl s VAL 24 CO -0.00 -0.04 0.08 0.42 0.00 0.00 0.00 175.10 175.56 1iwl s THR 25 N -0.59 -0.00 -0.51 3.92 -4.23 0.30 -0.39 115.64 114.14 1iwl s THR 25 Ca -0.02 0.01 0.25 0.00 -1.18 0.00 0.00 61.69 60.76 1iwl s THR 25 Cb -0.05 -0.13 0.32 0.00 1.34 0.00 0.00 72.50 73.98 1iwl s THR 25 CO 0.00 0.01 1.71 -2.24 -0.54 0.00 0.00 174.62 173.56 1iwl h ASP 26 N 6.10 0.00 -3.60 3.99 3.04 -1.87 0.61 116.42 124.69 1iwl h ASP 26 Ca -0.26 0.00 -0.68 0.00 -3.24 0.00 0.00 57.03 52.85 1iwl h ASP 26 Cb 1.20 0.00 -0.29 0.00 -1.04 0.00 0.00 39.33 39.20 1iwl h ASP 26 CO 0.46 0.00 -0.67 -0.69 -2.04 0.00 0.00 179.24 176.29 1iwl s VAL 32 N -3.21 3.44 -0.25 4.15 1.01 -1.26 -4.08 120.40 120.19 1iwl s VAL 32 Ca 0.08 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 1iwl s VAL 32 Cb 0.08 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1iwl s VAL 32 CO 0.61 0.07 0.49 -1.10 0.00 0.00 0.00 175.10 175.17 1iwl s GLN 33 N 1.40 4.08 -0.03 2.72 -1.52 0.48 -4.90 119.66 121.89 1iwl s GLN 33 Ca 0.00 0.28 -0.15 0.00 -1.95 0.00 0.00 55.36 53.55 1iwl s GLN 33 Cb -0.18 -3.63 -0.05 0.00 -0.22 0.00 0.00 33.01 28.93 1iwl s GLN 33 CO -0.00 -0.29 0.40 -1.21 -0.25 0.00 0.00 175.29 173.93 1iwl s GLU 34 N 2.12 3.97 0.00 2.91 2.02 -1.26 -0.38 118.70 128.08 1iwl s GLU 34 Ca 0.20 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.56 1iwl s GLU 34 Cb -0.16 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1iwl s GLU 34 CO 0.09 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.38 1iwl n GLY 35 N 2.12 4.18 3.08 -1.39 0.00 0.13 -4.90 105.19 108.40 1iwl n GLY 35 Ca -0.13 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 1iwl n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iwl s GLN 36 N 0.42 1.09 -0.04 1.61 -0.21 -1.26 -0.66 119.66 120.60 1iwl s GLN 36 Ca 0.00 -0.45 0.04 0.00 0.02 0.00 0.00 55.36 54.97 1iwl s GLN 36 Cb 0.00 -1.04 -0.00 0.00 1.00 0.00 0.00 33.01 32.97 1iwl s GLN 36 CO 0.00 0.26 -0.16 0.20 -2.12 0.00 0.00 175.29 173.47 1iwl s GLY 37 N -0.22 0.87 -0.05 3.09 0.00 0.38 -1.86 107.32 109.53 1iwl s GLY 37 Ca 0.03 -0.63 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1iwl s GLY 37 CO -0.00 -0.29 -0.06 0.99 0.00 0.00 0.00 173.10 173.74 1iwl s ASP 38 N 0.11 1.22 -0.09 1.64 1.11 0.93 0.67 116.67 122.27 1iwl s ASP 38 Ca -0.05 -0.17 0.03 0.00 0.18 0.00 0.00 52.55 52.54 1iwl s ASP 38 Cb -0.12 -0.55 0.01 0.00 1.07 0.00 0.00 42.92 43.34 1iwl s ASP 38 CO 0.02 -0.05 -0.16 -0.22 1.18 0.00 0.00 175.17 175.94 1iwl s LEU 39 N 0.97 1.78 -0.11 1.23 2.96 0.16 -1.10 118.68 124.59 1iwl s LEU 39 Ca -0.10 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1iwl s LEU 39 Cb -0.14 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 1iwl s LEU 39 CO 0.00 0.06 -0.19 0.26 -1.32 0.00 0.00 176.35 175.16 1iwl s TRP 40 N 0.68 2.67 0.03 5.38 0.51 0.02 -0.39 118.94 127.84 1iwl s TRP 40 Ca -0.13 -0.80 0.03 0.00 -2.12 0.00 0.00 56.10 53.08 1iwl s TRP 40 Cb -0.16 -1.76 -0.02 0.00 -0.81 0.00 0.00 33.47 30.72 1iwl s TRP 40 CO 0.03 -0.28 -0.09 0.08 -0.51 0.00 0.00 176.95 176.19 1iwl s VAL 41 N 0.25 0.67 -0.32 4.03 1.01 -0.21 -0.80 120.40 125.03 1iwl s VAL 41 Ca -0.13 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1iwl s VAL 41 Cb -0.16 -0.66 0.13 0.00 0.00 0.00 0.00 36.38 35.69 1iwl s VAL 41 CO 0.07 -0.15 0.23 -0.75 0.00 0.00 0.00 175.10 174.50 1iwl s LYS 42 N -1.10 0.38 0.59 2.72 2.36 -0.26 -1.77 119.74 122.67 1iwl s LYS 42 Ca -0.04 -0.69 -0.20 0.00 -2.55 0.00 0.00 55.97 52.50 1iwl s LYS 42 Cb -0.07 -1.00 -0.03 0.00 -1.05 0.00 0.00 37.83 35.67 1iwl s LYS 42 CO 0.01 -1.10 1.30 0.54 1.55 0.00 0.00 175.35 177.65 1iwl n ARG 43 N 4.80 1.40 0.00 4.03 5.12 0.65 -1.71 116.66 130.96 1iwl n ARG 43 Ca 0.02 0.53 0.11 0.00 -1.93 0.00 0.00 57.85 56.58 1iwl n ARG 43 Cb 0.42 -2.53 -0.10 0.00 -1.16 0.00 0.00 32.46 29.09 1iwl n ARG 43 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1iwl n PRO 44 N -1.37 0.31 -0.04 5.56 -0.04 -1.26 -4.81 135.00 133.35 1iwl n PRO 44 Ca 0.13 -0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1iwl n PRO 44 Cb 0.46 -1.53 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1iwl n PRO 44 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1iwl n ASN 45 N -1.90 1.96 -4.57 3.54 5.03 -1.24 -4.93 115.26 113.16 1iwl n ASN 45 Ca 0.01 -1.70 -0.34 0.00 0.87 0.00 0.00 54.58 53.41 1iwl n ASN 45 Cb 0.44 -0.05 -0.11 0.00 -1.02 0.00 0.00 39.78 39.04 1iwl n ASN 45 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1iwl s LEU 46 N -0.76 3.34 0.09 3.41 1.43 -0.69 -3.71 118.68 121.79 1iwl s LEU 46 Ca 0.07 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 52.88 1iwl s LEU 46 Cb 0.04 -1.78 0.08 0.00 0.03 0.00 0.00 46.19 44.56 1iwl s LEU 46 CO 0.05 0.27 0.77 0.72 0.23 0.00 0.00 176.35 178.39 1iwl s PHE 47 N -0.23 -0.40 -0.09 0.29 -0.12 -1.22 -1.10 117.98 115.11 1iwl s PHE 47 Ca 0.04 0.20 -0.03 0.00 -0.05 0.00 0.00 56.93 57.09 1iwl s PHE 47 Cb -0.13 0.56 0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1iwl s PHE 47 CO 0.02 -0.72 0.17 1.21 -0.05 0.00 0.00 175.22 175.85 1iwl s ASN 48 N -2.65 0.62 -0.06 1.98 3.84 0.02 -0.99 114.94 117.71 1iwl s ASN 48 Ca 0.04 0.36 0.06 0.00 0.21 0.00 0.00 52.86 53.53 1iwl s ASN 48 Cb -0.01 0.31 -0.01 0.00 -0.55 0.00 0.00 41.25 40.99 1iwl s ASN 48 CO -0.09 -0.23 -0.24 0.86 -2.79 0.00 0.00 177.10 174.61 1iwl s TRP 49 N 2.19 2.32 -0.03 0.43 -0.11 0.73 -0.80 118.94 123.68 1iwl s TRP 49 Ca 0.02 -0.71 0.01 0.00 1.22 0.00 0.00 56.10 56.63 1iwl s TRP 49 Cb -0.12 -1.53 0.02 0.00 -1.50 0.00 0.00 33.47 30.35 1iwl s TRP 49 CO -0.06 -0.23 -0.00 -1.58 -4.62 0.00 0.00 176.95 170.46 1iwl s HIS 50 N -0.08 0.33 0.05 5.86 2.46 -0.26 -0.42 115.29 123.24 1iwl s HIS 50 Ca -0.05 -0.01 -0.03 0.00 0.47 0.00 0.00 55.06 55.44 1iwl s HIS 50 Cb -0.14 -0.40 -0.03 0.00 -0.13 0.00 0.00 32.58 31.89 1iwl s HIS 50 CO 0.04 -0.12 0.03 0.00 -2.47 0.00 0.00 174.74 172.22 1iwl s MET 51 N 0.91 0.61 -0.02 2.88 0.23 -0.76 -0.05 119.30 123.11 1iwl s MET 51 Ca -0.09 -1.04 0.17 0.00 -1.03 0.00 0.00 55.69 53.70 1iwl s MET 51 Cb -0.13 0.22 -0.26 0.00 -1.53 0.00 0.00 34.83 33.14 1iwl s MET 51 CO -0.01 -0.14 0.41 0.25 -2.03 0.00 0.00 175.02 173.51 1iwl n THR 52 N 0.34 0.00 -4.40 3.16 -2.24 -0.78 -1.11 114.28 109.26 1iwl n THR 52 Ca -0.16 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 60.96 1iwl n THR 52 Cb 0.60 0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.90 1iwl n THR 52 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1iwl s GLN 53 N -3.14 1.69 0.09 -0.78 -1.52 -1.26 -2.77 119.66 111.97 1iwl s GLN 53 Ca -0.05 -1.21 0.23 0.00 -1.95 0.00 0.00 55.36 52.38 1iwl s GLN 53 Cb 0.11 -2.05 0.93 0.00 -0.22 0.00 0.00 33.01 31.79 1iwl s GLN 53 CO 0.72 0.48 1.73 -0.35 -0.25 0.00 0.00 175.29 177.62 1iwl n PRO 54 N 0.97 0.09 -3.81 2.91 -0.04 -1.26 -4.87 135.00 128.99 1iwl n PRO 54 Ca -0.16 0.19 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1iwl n PRO 54 Cb 0.53 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 1iwl n PRO 54 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1iwl s ASP 55 N -3.57 -0.13 0.12 3.54 1.01 -1.20 -5.12 116.67 111.33 1iwl s ASP 55 Ca 0.10 0.11 -0.31 0.00 0.71 0.00 0.00 52.55 53.16 1iwl s ASP 55 Cb 0.13 0.34 -0.10 0.00 1.01 0.00 0.00 42.92 44.30 1iwl s ASP 55 CO 0.45 -0.30 1.72 -0.70 0.21 0.00 0.00 175.17 176.55 1iwl s GLU 56 N -0.87 4.16 0.02 8.23 2.12 -1.12 -4.53 118.70 126.72 1iwl s GLU 56 Ca -0.10 2.48 0.02 0.00 0.36 0.00 0.00 54.97 57.74 1iwl s GLU 56 Cb -0.05 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1iwl s GLU 56 CO 0.02 -0.76 -0.06 -1.12 -0.54 0.00 0.00 175.26 172.79 1iwl s SER 57 N 2.18 0.69 -0.03 -1.70 0.01 -0.26 -4.22 113.70 110.36 1iwl s SER 57 Ca 0.76 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.70 1iwl s SER 57 Cb -0.44 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1iwl s SER 57 CO 0.34 -0.10 -0.11 -0.63 0.41 0.00 0.00 173.24 173.14 1iwl s ILE 58 N -0.86 0.99 -0.09 1.44 1.01 0.38 -1.82 121.20 122.25 1iwl s ILE 58 Ca -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1iwl s ILE 58 Cb -0.07 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.55 1iwl s ILE 58 CO 0.00 0.30 -0.12 -0.76 0.00 0.00 0.00 174.94 174.37 1iwl s LEU 59 N 0.22 1.54 -0.06 2.97 1.43 0.44 -0.20 118.68 125.02 1iwl s LEU 59 Ca -0.05 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1iwl s LEU 59 Cb -0.10 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.26 1iwl s LEU 59 CO 0.01 -0.01 -0.04 -0.69 0.23 0.00 0.00 176.35 175.86 1iwl s VAL 60 N 1.00 0.58 -0.21 -1.59 1.01 -0.09 -0.19 120.40 120.90 1iwl s VAL 60 Ca -0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 1iwl s VAL 60 Cb -0.15 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1iwl s VAL 60 CO -0.00 0.26 0.04 -0.55 0.00 0.00 0.00 175.10 174.84 1iwl s SER 61 N 1.37 5.08 0.00 3.32 0.15 -0.16 0.17 113.70 123.63 1iwl s SER 61 Ca -0.04 -0.15 0.18 0.00 0.70 0.00 0.00 55.95 56.64 1iwl s SER 61 Cb -0.13 -1.88 0.50 0.00 -1.71 0.00 0.00 66.02 62.79 1iwl s SER 61 CO -0.03 0.05 1.42 -0.90 1.20 0.00 0.00 173.24 174.98 1iwl n ASP 62 N 4.35 2.84 0.00 5.45 5.68 -0.54 -3.37 116.55 130.95 1iwl n ASP 62 Ca -0.17 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 1iwl n ASP 62 Cb 0.52 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1iwl n ASP 62 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iwl n GLY 63 N 1.36 1.77 0.00 6.12 0.00 -1.24 -4.77 105.19 108.43 1iwl n GLY 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1iwl n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iwl n LYS 64 N -0.21 0.59 -4.52 1.61 4.76 -1.26 -4.95 118.16 114.18 1iwl n LYS 64 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1iwl n LYS 64 Cb 0.00 -0.60 -0.11 0.00 -1.84 0.00 0.00 35.03 32.47 1iwl n LYS 64 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1iwl s THR 65 N -1.20 3.81 -0.22 -0.18 2.01 -1.26 -0.85 115.64 117.75 1iwl s THR 65 Ca 0.00 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 1iwl s THR 65 Cb 0.00 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1iwl s THR 65 CO 0.00 0.56 0.03 -0.22 -0.69 0.00 0.00 174.62 174.29 1iwl s LEU 66 N -0.34 3.34 -0.16 4.42 2.96 0.46 -1.47 118.68 127.89 1iwl s LEU 66 Ca 0.05 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1iwl s LEU 66 Cb -0.12 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1iwl s LEU 66 CO 0.02 0.03 0.02 0.26 -1.32 0.00 0.00 176.35 175.37 1iwl s TRP 67 N 1.18 3.17 -0.23 5.38 0.52 0.13 -1.10 118.94 127.99 1iwl s TRP 67 Ca 0.04 -0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.10 1iwl s TRP 67 Cb -0.14 -2.01 0.02 0.00 -1.15 0.00 0.00 33.47 30.19 1iwl s TRP 67 CO 0.02 0.12 -0.08 0.12 0.02 0.00 0.00 176.95 177.15 1iwl s PHE 68 N 0.24 3.01 -0.10 -1.98 2.19 0.32 -0.92 117.98 120.74 1iwl s PHE 68 Ca 0.01 -1.51 0.02 0.00 0.33 0.00 0.00 56.93 55.79 1iwl s PHE 68 Cb -0.13 -2.04 0.01 0.00 -1.31 0.00 0.00 43.02 39.55 1iwl s PHE 68 CO 0.01 -0.72 -0.17 -0.47 1.83 0.00 0.00 175.22 175.70 1iwl s TYR 69 N 1.33 2.09 -0.53 10.12 6.04 0.72 -0.44 117.35 136.67 1iwl s TYR 69 Ca 0.01 -0.94 -0.02 0.00 0.04 0.00 0.00 57.07 56.17 1iwl s TYR 69 Cb -0.16 -1.47 0.14 0.00 -1.04 0.00 0.00 41.96 39.43 1iwl s TYR 69 CO -0.06 -0.45 0.33 -0.80 -1.54 0.00 0.00 175.55 173.03 1iwl s ASN 70 N 0.78 5.13 0.27 4.32 -0.87 -0.91 -0.47 114.94 123.18 1iwl s ASN 70 Ca -0.10 -2.58 -0.04 0.00 -1.57 0.00 0.00 52.86 48.56 1iwl s ASN 70 Cb -0.16 -1.81 0.54 0.00 -0.02 0.00 0.00 41.25 39.80 1iwl s ASN 70 CO 0.01 -0.41 1.62 1.55 -2.57 0.00 0.00 177.10 177.31 1iwl h PRO 71 N 7.32 0.09 0.00 -0.60 0.13 -1.82 -0.84 132.00 136.28 1iwl h PRO 71 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1iwl h PRO 71 Cb 0.98 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1iwl h PRO 71 CO 0.70 0.06 0.00 1.19 -0.23 0.00 0.00 178.00 179.72 1iwl n PHE 72 N -5.37 0.00 -0.35 1.56 3.01 -1.26 -1.44 117.46 113.61 1iwl n PHE 72 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1iwl n PHE 72 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1iwl n PHE 72 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1iwl n VAL 73 N -0.71 0.00 -4.00 -4.37 0.31 -0.34 -5.01 118.33 104.22 1iwl n VAL 73 Ca 0.04 -0.29 -0.32 0.00 -0.01 0.00 0.00 64.34 63.76 1iwl n VAL 73 Cb 0.02 1.35 0.01 0.00 -0.91 0.00 0.00 33.84 34.31 1iwl n VAL 73 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iwl n GLU 74 N -0.09 -4.86 -4.16 5.55 1.02 -0.52 -4.92 120.64 112.65 1iwl n GLU 74 Ca 0.00 0.53 -0.15 0.00 -0.02 0.00 0.00 57.16 57.52 1iwl n GLU 74 Cb 0.09 -5.37 -0.13 0.00 -0.02 0.00 0.00 31.44 26.01 1iwl n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iwl s GLN 75 N -6.70 0.58 -0.01 3.49 -0.21 -1.24 -1.36 119.66 114.21 1iwl s GLN 75 Ca 0.67 -0.56 -0.05 0.00 0.02 0.00 0.00 55.36 55.44 1iwl s GLN 75 Cb -0.35 -0.47 -0.00 0.00 1.00 0.00 0.00 33.01 33.19 1iwl s GLN 75 CO 0.86 0.11 0.10 0.00 -2.12 0.00 0.00 175.29 174.24 1iwl s ALA 76 N -0.84 -0.23 -0.04 6.09 0.00 -0.33 -2.14 121.76 124.26 1iwl s ALA 76 Ca -0.03 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 51.88 1iwl s ALA 76 Cb -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1iwl s ALA 76 CO 0.00 -0.16 -0.22 0.99 0.00 0.00 0.00 175.76 176.38 1iwl s THR 77 N -1.03 1.78 -0.15 0.00 2.01 0.41 -0.62 115.64 118.05 1iwl s THR 77 Ca -0.11 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 1iwl s THR 77 Cb -0.06 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1iwl s THR 77 CO 0.01 0.50 -0.07 0.00 -0.69 0.00 0.00 174.62 174.37 1iwl s ALA 78 N -0.17 2.86 0.18 7.40 0.00 0.06 -0.52 121.76 131.57 1iwl s ALA 78 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1iwl s ALA 78 Cb -0.12 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1iwl s ALA 78 CO 0.02 0.23 0.05 0.95 0.00 0.00 0.00 175.76 177.01 1iwl s THR 79 N 0.36 0.39 0.08 0.00 -4.23 -0.26 0.18 115.64 112.15 1iwl s THR 79 Ca -0.07 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.18 1iwl s THR 79 Cb -0.15 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 1iwl s THR 79 CO 0.04 -0.31 1.07 0.26 -0.54 0.00 0.00 174.62 175.14 1iwl s TRP 80 N -3.86 3.60 0.27 3.99 0.23 -1.26 -0.40 118.94 121.50 1iwl s TRP 80 Ca 0.29 1.57 -0.02 0.00 -2.03 0.00 0.00 56.10 55.91 1iwl s TRP 80 Cb 0.07 -3.24 0.42 0.00 0.03 0.00 0.00 33.47 30.75 1iwl s TRP 80 CO 0.06 -0.50 1.87 1.25 0.96 0.00 0.00 176.95 180.60 1iwl h LEU 81 N 6.22 1.01 -2.55 2.99 5.85 -1.29 -1.48 115.31 126.06 1iwl h LEU 81 Ca -0.42 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1iwl h LEU 81 Cb 1.21 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1iwl h LEU 81 CO 0.76 0.63 -0.02 0.07 -0.34 0.00 0.00 178.44 179.55 1iwl h LYS 82 N 1.14 0.00 -0.01 1.25 2.10 -1.92 -1.57 116.57 117.57 1iwl h LYS 82 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1iwl h LYS 82 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1iwl h LYS 82 CO -0.19 0.02 -0.20 -0.25 -2.00 0.00 0.00 179.45 176.83 1iwl n ASP 83 N -3.52 0.85 -4.78 7.07 10.43 -0.56 -4.92 116.55 121.13 1iwl n ASP 83 Ca -0.03 -0.80 -0.32 0.00 2.57 0.00 0.00 54.79 56.21 1iwl n ASP 83 Cb 0.11 0.06 0.07 0.00 1.84 0.00 0.00 41.12 43.19 1iwl n ASP 83 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iwl s ALA 84 N -2.48 2.42 0.27 2.24 0.00 -0.59 -5.03 121.76 118.59 1iwl s ALA 84 Ca 0.26 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1iwl s ALA 84 Cb 0.20 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 1iwl s ALA 84 CO 0.50 -1.47 0.02 0.95 0.00 0.00 0.00 175.76 175.77 1iwl s THR 85 N -2.71 1.10 -1.36 0.00 -4.23 -1.26 -5.04 115.64 102.14 1iwl s THR 85 Ca 0.63 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 1iwl s THR 85 Cb -0.18 -2.55 0.11 0.00 1.34 0.00 0.00 72.50 71.22 1iwl s THR 85 CO 0.50 -0.17 2.16 0.61 -0.54 0.00 0.00 174.62 177.18 1iwl n GLY 86 N -0.53 4.74 0.13 3.99 0.00 -1.26 -4.62 105.19 107.63 1iwl n GLY 86 Ca -0.04 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.20 1iwl n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iwl n ASN 87 N 3.88 0.59 -4.00 1.61 6.94 -1.26 -4.78 115.26 118.24 1iwl n ASN 87 Ca 0.51 -0.53 -0.08 0.00 -0.02 0.00 0.00 54.58 54.46 1iwl n ASN 87 Cb 0.33 -0.01 -0.09 0.00 -2.36 0.00 0.00 39.78 37.66 1iwl n ASN 87 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1iwl s THR 88 N -2.60 0.17 0.20 5.53 -4.23 -1.26 -4.55 115.64 108.90 1iwl s THR 88 Ca 0.24 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 59.10 1iwl s THR 88 Cb 0.19 -1.53 0.13 0.00 1.34 0.00 0.00 72.50 72.64 1iwl s THR 88 CO 0.52 -0.76 1.78 1.55 -0.54 0.00 0.00 174.62 177.16 1iwl h PRO 89 N 2.93 1.08 -0.03 3.99 0.13 -1.90 -2.06 132.00 136.14 1iwl h PRO 89 Ca -0.34 -0.18 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 1iwl h PRO 89 Cb 1.17 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1iwl h PRO 89 CO 0.60 0.87 -0.36 0.27 -0.23 0.00 0.00 178.00 179.16 1iwl h PHE 90 N 1.05 0.06 -0.12 1.56 -5.15 -1.97 -2.50 116.94 109.86 1iwl h PHE 90 Ca 0.25 -0.01 -0.16 0.00 -0.20 0.00 0.00 57.97 57.85 1iwl h PHE 90 Cb 0.17 -0.02 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 1iwl h PHE 90 CO 0.01 0.41 -0.59 1.98 -2.00 0.00 0.00 178.31 178.13 1iwl h MET 91 N 0.05 0.40 -0.60 6.09 4.05 -1.83 0.12 114.93 123.21 1iwl h MET 91 Ca 0.00 -0.27 -0.04 0.00 -0.28 0.00 0.00 59.70 59.11 1iwl h MET 91 Cb 0.66 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.47 1iwl h MET 91 CO 0.05 0.87 0.22 -0.07 0.23 0.00 0.00 176.91 178.21 1iwl h LEU 92 N 0.30 0.85 -0.24 3.39 3.38 -1.07 0.36 115.31 122.29 1iwl h LEU 92 Ca -0.00 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1iwl h LEU 92 Cb 1.12 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1iwl h LEU 92 CO 0.10 0.81 -0.40 0.40 0.09 0.00 0.00 178.44 179.44 1iwl h ILE 93 N 0.85 1.31 -0.43 1.22 2.04 -1.29 -0.28 117.51 120.92 1iwl h ILE 93 Ca 0.20 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 1iwl h ILE 93 Cb 0.24 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1iwl h ILE 93 CO -0.01 0.51 0.26 0.00 0.00 0.00 0.00 178.15 178.91 1iwl h ALA 94 N 0.64 0.55 -0.05 1.87 0.00 -0.60 -3.18 119.26 118.49 1iwl h ALA 94 Ca 0.02 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1iwl h ALA 94 Cb 1.00 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1iwl h ALA 94 CO 0.09 0.04 -0.74 0.00 0.00 0.00 0.00 179.25 178.64 1iwl h ARG 95 N 0.57 0.58 -6.98 0.00 3.08 -0.94 -3.48 114.38 107.21 1iwl h ARG 95 Ca 0.15 -0.57 -0.61 0.00 0.07 0.00 0.00 59.98 59.03 1iwl h ARG 95 Cb -0.01 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1iwl h ARG 95 CO -0.03 1.18 -1.02 -1.71 -1.07 0.00 0.00 179.97 177.33 1iwl n ASN 96 N -4.07 -3.98 -4.63 7.04 5.15 -0.12 -4.94 115.26 109.71 1iwl n ASN 96 Ca -0.10 -1.32 -0.35 0.00 -0.60 0.00 0.00 54.58 52.22 1iwl n ASN 96 Cb 0.73 -1.58 -0.10 0.00 -0.53 0.00 0.00 39.78 38.31 1iwl n ASN 96 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1iwl s GLN 97 N -7.52 3.51 0.32 1.20 -1.52 -1.26 -4.99 119.66 109.40 1iwl s GLN 97 Ca 0.49 -0.40 0.03 0.00 -1.95 0.00 0.00 55.36 53.53 1iwl s GLN 97 Cb -0.27 -2.98 0.61 0.00 -0.22 0.00 0.00 33.01 30.15 1iwl s GLN 97 CO 0.98 0.45 1.91 0.77 -0.25 0.00 0.00 175.29 179.14 1iwl h SER 98 N 6.05 0.83 0.19 5.90 0.02 -1.96 0.38 113.55 124.96 1iwl h SER 98 Ca -0.41 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1iwl h SER 98 Cb 1.19 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1iwl h SER 98 CO 0.62 0.51 -0.10 0.77 -1.14 0.00 0.00 176.83 177.49 1iwl h SER 99 N 0.93 0.00 0.04 3.07 4.64 -1.99 -1.46 113.55 118.78 1iwl h SER 99 Ca 0.39 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1iwl h SER 99 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1iwl h SER 99 CO -0.16 0.10 -0.02 0.44 -0.87 0.00 0.00 176.83 176.32 1iwl h ASP 100 N 0.00 -0.05 -0.59 4.97 3.45 -1.35 -3.34 116.42 119.52 1iwl h ASP 100 Ca -0.00 -0.62 0.05 0.00 0.43 0.00 0.00 57.03 56.88 1iwl h ASP 100 Cb 0.22 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 1iwl h ASP 100 CO 0.01 0.70 0.39 -0.50 -1.57 0.00 0.00 179.24 178.27 1iwl h TRP 101 N -0.90 0.62 0.00 4.55 -0.00 -1.20 -1.29 115.95 117.72 1iwl h TRP 101 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1iwl h TRP 101 Cb 0.67 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.62 1iwl h TRP 101 CO 0.17 0.35 0.00 0.37 -0.00 0.00 0.00 178.44 179.32 1iwl h GLN 102 N 0.63 0.00 -0.33 0.49 5.75 -1.38 -1.62 115.11 118.65 1iwl h GLN 102 Ca 0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1iwl h GLN 102 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1iwl h GLN 102 CO -0.07 0.00 0.00 1.04 -2.65 0.00 0.00 178.83 177.15 1iwl n GLN 103 N -2.57 1.83 -4.25 1.69 6.02 -0.49 -4.87 117.38 114.74 1iwl n GLN 103 Ca -0.01 -1.29 -0.21 0.00 -0.01 0.00 0.00 57.00 55.48 1iwl n GLN 103 Cb 0.11 -1.31 -0.12 0.00 1.02 0.00 0.00 30.24 29.94 1iwl n GLN 103 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1iwl s TYR 104 N -1.56 1.49 -0.37 1.08 2.02 -0.61 -1.80 117.35 117.60 1iwl s TYR 104 Ca 0.26 -0.43 -0.23 0.00 -0.37 0.00 0.00 57.07 56.31 1iwl s TYR 104 Cb 0.14 -0.83 0.01 0.00 -0.40 0.00 0.00 41.96 40.88 1iwl s TYR 104 CO 0.19 0.12 0.75 -0.80 -1.57 0.00 0.00 175.55 174.24 1iwl s ASN 105 N -1.75 6.51 -0.05 2.29 0.02 0.14 -4.84 114.94 117.26 1iwl s ASN 105 Ca 0.02 0.27 -0.02 0.00 -1.02 0.00 0.00 52.86 52.12 1iwl s ASN 105 Cb -0.10 -2.38 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 1iwl s ASN 105 CO 0.03 -0.71 0.07 -0.63 0.02 0.00 0.00 177.10 175.87 1iwl s ILE 106 N 3.03 4.76 -0.07 0.60 1.01 -1.26 -1.79 121.20 127.46 1iwl s ILE 106 Ca 0.30 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1iwl s ILE 106 Cb -0.13 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.26 1iwl s ILE 106 CO 0.17 0.49 -0.07 -0.54 0.00 0.00 0.00 174.94 174.98 1iwl s LYS 107 N -1.32 1.25 0.10 2.79 1.02 -0.33 -4.99 119.74 118.25 1iwl s LYS 107 Ca 0.18 -0.21 0.10 0.00 0.02 0.00 0.00 55.97 56.06 1iwl s LYS 107 Cb -0.12 -1.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.93 1iwl s LYS 107 CO 0.08 -0.13 -0.25 -1.14 -0.92 0.00 0.00 175.35 173.00 1iwl s GLN 108 N 1.18 1.40 -0.34 1.68 0.74 -1.26 -1.09 119.66 121.97 1iwl s GLN 108 Ca -0.06 -1.21 0.03 0.00 0.05 0.00 0.00 55.36 54.17 1iwl s GLN 108 Cb -0.14 -1.74 0.16 0.00 1.10 0.00 0.00 33.01 32.39 1iwl s GLN 108 CO -0.02 0.42 0.40 1.21 -0.55 0.00 0.00 175.29 176.75 1iwl s ASN 109 N -1.77 0.74 1.57 6.67 2.47 -0.33 -5.02 114.94 119.26 1iwl s ASN 109 Ca 0.11 -0.99 0.00 0.00 0.42 0.00 0.00 52.86 52.40 1iwl s ASN 109 Cb -0.10 0.86 0.00 0.00 -1.45 0.00 0.00 41.25 40.56 1iwl s ASN 109 CO 0.04 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.73 1iwl n GLY 110 N 4.79 2.82 0.10 1.21 0.00 -1.26 -2.14 105.19 110.71 1iwl n GLY 110 Ca 0.06 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1iwl n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iwl n ASP 111 N 7.43 0.44 -4.76 1.61 8.00 -1.26 -4.85 116.55 123.16 1iwl n ASP 111 Ca 0.00 -0.46 -0.37 0.00 0.71 0.00 0.00 54.79 54.67 1iwl n ASP 111 Cb 0.00 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 40.95 1iwl n ASP 111 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1iwl s ASP 112 N -2.56 6.54 -0.01 -2.24 1.01 -0.91 -1.60 116.67 116.91 1iwl s ASP 112 Ca 0.26 0.64 0.04 0.00 0.71 0.00 0.00 52.55 54.20 1iwl s ASP 112 Cb 0.20 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 1iwl s ASP 112 CO 0.50 0.14 -0.12 -0.36 0.21 0.00 0.00 175.17 175.54 1iwl s PHE 113 N 0.12 1.08 -0.08 4.23 0.40 -0.28 -1.19 117.98 122.25 1iwl s PHE 113 Ca 0.19 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1iwl s PHE 113 Cb -0.14 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.72 1iwl s PHE 113 CO 0.07 -0.02 -0.08 0.08 0.70 0.00 0.00 175.22 175.97 1iwl s VAL 114 N -0.28 0.88 -0.00 -0.44 1.01 -0.25 -1.59 120.40 119.74 1iwl s VAL 114 Ca 0.04 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1iwl s VAL 114 Cb -0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1iwl s VAL 114 CO -0.00 0.32 -0.22 -0.76 0.00 0.00 0.00 175.10 174.43 1iwl s LEU 115 N 1.24 2.08 -0.02 3.92 1.02 0.13 -1.19 118.68 125.86 1iwl s LEU 115 Ca -0.05 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.68 1iwl s LEU 115 Cb -0.14 -1.12 0.00 0.00 0.02 0.00 0.00 46.19 44.95 1iwl s LEU 115 CO -0.02 0.25 -0.06 0.42 0.02 0.00 0.00 176.35 176.96 1iwl s THR 116 N -0.60 0.49 0.32 5.49 -4.23 -0.74 -1.33 115.64 115.05 1iwl s THR 116 Ca 0.09 -0.22 -0.29 0.00 -1.18 0.00 0.00 61.69 60.09 1iwl s THR 116 Cb -0.09 -0.45 -0.12 0.00 1.34 0.00 0.00 72.50 73.18 1iwl s THR 116 CO -0.00 0.16 1.49 -0.81 -0.54 0.00 0.00 174.62 174.92 1iwl n PRO 117 N 3.27 2.50 0.18 3.99 -0.04 -1.26 0.26 135.00 143.90 1iwl n PRO 117 Ca -0.17 0.88 0.05 0.00 -0.04 0.00 0.00 63.50 64.23 1iwl n PRO 117 Cb 0.56 -2.60 0.30 0.00 -0.04 0.00 0.00 33.50 31.71 1iwl n PRO 117 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1iwl h LYS 118 N 3.84 0.00 -4.95 0.54 1.57 -1.68 -3.44 116.57 112.45 1iwl h LYS 118 Ca -0.48 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.01 1iwl h LYS 118 Cb 1.25 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 1iwl h LYS 118 CO 0.72 0.38 -0.71 0.00 -0.57 0.00 0.00 179.45 179.27 1iwl s ALA 119 N -3.51 1.27 1.00 3.86 0.00 -1.26 -5.06 121.76 118.05 1iwl s ALA 119 Ca 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1iwl s ALA 119 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1iwl s ALA 119 CO 0.69 -0.12 0.00 0.43 0.00 0.00 0.00 175.76 176.76 1iwl n SER 120 N 0.00 -0.27 -3.59 0.00 7.64 -1.26 -4.52 113.62 111.62 1iwl n SER 120 Ca -0.12 -0.12 -0.20 0.00 1.01 0.00 0.00 58.87 59.44 1iwl n SER 120 Cb 0.60 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.85 1iwl n SER 120 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1iwl n ASN 121 N -0.77 -1.68 -3.90 6.43 5.15 -1.26 -5.00 115.26 114.24 1iwl n ASN 121 Ca 0.00 -0.75 -0.14 0.00 -0.60 0.00 0.00 54.58 53.09 1iwl n ASN 121 Cb 0.00 -4.46 -0.14 0.00 -0.53 0.00 0.00 39.78 34.64 1iwl n ASN 121 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1iwl s GLY 122 N -4.32 0.12 0.24 8.20 0.00 -1.26 -5.01 107.32 105.29 1iwl s GLY 122 Ca 0.02 -0.07 0.25 0.00 0.00 0.00 0.00 44.72 44.92 1iwl s GLY 122 CO 0.78 -0.01 1.75 -2.01 0.00 0.00 0.00 173.10 173.61 1iwl n ASN 123 N 3.13 0.76 -4.22 1.64 4.05 -1.26 -4.42 115.26 114.94 1iwl n ASN 123 Ca -0.14 0.62 -0.35 0.00 0.45 0.00 0.00 54.58 55.17 1iwl n ASN 123 Cb 0.58 -0.81 -0.14 0.00 1.23 0.00 0.00 39.78 40.65 1iwl n ASN 123 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1iwl s LEU 124 N -4.54 3.46 0.23 1.20 2.96 -1.26 0.71 118.68 121.43 1iwl s LEU 124 Ca 0.07 -0.93 0.19 0.00 -0.22 0.00 0.00 54.13 53.25 1iwl s LEU 124 Cb 0.11 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 45.12 1iwl s LEU 124 CO 0.50 -0.17 1.17 0.11 -1.32 0.00 0.00 176.35 176.64 1iwl h LYS 125 N 8.05 0.00 -1.99 1.98 1.57 -0.66 -3.39 116.57 122.12 1iwl h LYS 125 Ca -0.30 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1iwl h LYS 125 Cb 1.10 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.22 1iwl h LYS 125 CO 0.57 0.18 0.28 -1.14 -0.57 0.00 0.00 179.45 178.77 1iwl s GLN 126 N -3.13 0.97 -0.10 3.15 0.74 -0.99 -4.32 119.66 115.98 1iwl s GLN 126 Ca 0.01 0.16 -0.07 0.00 0.05 0.00 0.00 55.36 55.51 1iwl s GLN 126 Cb 0.08 0.46 0.04 0.00 1.10 0.00 0.00 33.01 34.68 1iwl s GLN 126 CO 0.76 -0.32 0.26 0.12 -0.55 0.00 0.00 175.29 175.56 1iwl s PHE 127 N -1.43 -0.32 0.09 1.67 2.19 -0.44 -1.35 117.98 118.39 1iwl s PHE 127 Ca -0.08 0.75 0.03 0.00 0.33 0.00 0.00 56.93 57.97 1iwl s PHE 127 Cb -0.00 0.08 -0.03 0.00 -1.31 0.00 0.00 43.02 41.75 1iwl s PHE 127 CO 0.06 -0.19 -0.10 0.95 1.83 0.00 0.00 175.22 177.77 1iwl s THR 128 N 0.72 0.86 -0.18 0.12 -4.23 -0.32 0.18 115.64 112.79 1iwl s THR 128 Ca -0.05 -1.54 -0.24 0.00 -1.18 0.00 0.00 61.69 58.68 1iwl s THR 128 Cb -0.06 -1.24 0.06 0.00 1.34 0.00 0.00 72.50 72.60 1iwl s THR 128 CO -0.04 -0.53 0.64 -0.51 -0.54 0.00 0.00 174.62 173.63 1iwl s ILE 129 N -2.28 0.00 -0.25 2.99 2.07 -0.62 -0.76 121.20 122.35 1iwl s ILE 129 Ca 0.03 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1iwl s ILE 129 Cb -0.04 -0.91 0.05 0.00 0.13 0.00 0.00 42.46 41.69 1iwl s ILE 129 CO -0.00 -0.01 -0.10 0.21 -1.91 0.00 0.00 174.94 173.13 1iwl s ASN 130 N -0.12 4.33 -0.05 4.50 3.84 0.41 -1.13 114.94 126.71 1iwl s ASN 130 Ca -0.03 -1.20 -0.02 0.00 0.21 0.00 0.00 52.86 51.81 1iwl s ASN 130 Cb -0.03 -1.58 0.04 0.00 -0.55 0.00 0.00 41.25 39.12 1iwl s ASN 130 CO 0.03 -0.17 0.10 0.54 -2.79 0.00 0.00 177.10 174.81 1iwl s VAL 131 N 1.18 -0.10 0.89 -5.21 0.11 -0.63 -0.96 120.40 115.68 1iwl s VAL 131 Ca -0.05 0.27 -0.14 0.00 -2.93 0.00 0.00 61.98 59.13 1iwl s VAL 131 Cb -0.19 -0.18 0.14 0.00 -1.53 0.00 0.00 36.38 34.62 1iwl s VAL 131 CO -0.05 0.11 1.25 -0.83 -3.33 0.00 0.00 175.10 172.25 1iwl s GLY 132 N 1.53 1.69 0.20 6.54 0.00 -1.03 -4.64 107.32 111.60 1iwl s GLY 132 Ca -0.04 -0.93 0.21 0.00 0.00 0.00 0.00 44.72 43.96 1iwl s GLY 132 CO -0.04 -0.30 1.65 0.54 0.00 0.00 0.00 173.10 174.95 1iwl n ARG 133 N -3.55 0.15 0.00 2.90 1.74 -1.26 -1.60 116.66 115.04 1iwl n ARG 133 Ca 0.12 0.40 0.15 0.00 -0.77 0.00 0.00 57.85 57.74 1iwl n ARG 133 Cb 0.60 -1.79 0.76 0.00 -1.02 0.00 0.00 32.46 31.01 1iwl n ARG 133 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1iwl n ASP 134 N -2.07 0.54 0.00 0.55 3.85 -1.26 -4.90 116.55 113.26 1iwl n ASP 134 Ca 0.02 -1.06 0.00 0.00 -0.71 0.00 0.00 54.79 53.05 1iwl n ASP 134 Cb 0.20 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1iwl n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iwl n GLY 135 N 1.11 0.79 3.67 6.12 0.00 -0.63 -4.70 105.19 111.54 1iwl n GLY 135 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1iwl n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iwl s THR 136 N -2.97 4.73 -0.58 2.61 2.01 -1.26 -4.84 115.64 115.34 1iwl s THR 136 Ca 0.00 1.98 -0.22 0.00 0.31 0.00 0.00 61.69 63.76 1iwl s THR 136 Cb 0.00 -4.29 0.06 0.00 0.01 0.00 0.00 72.50 68.29 1iwl s THR 136 CO 0.00 -0.12 0.83 -0.63 -0.69 0.00 0.00 174.62 174.01 1iwl s ILE 137 N 2.84 4.56 0.11 1.82 1.01 -1.26 -2.46 121.20 127.82 1iwl s ILE 137 Ca 0.44 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.73 1iwl s ILE 137 Cb -0.16 -4.51 -0.21 0.00 0.01 0.00 0.00 42.46 37.59 1iwl s ILE 137 CO 0.09 -1.13 1.25 0.45 0.00 0.00 0.00 174.94 175.60 1iwl h HIS 138 N 9.28 0.64 -2.21 3.97 3.86 -1.43 -3.40 115.15 125.86 1iwl h HIS 138 Ca -0.28 -0.37 0.13 0.00 -1.16 0.00 0.00 60.37 58.69 1iwl h HIS 138 Cb 1.08 -0.06 -0.15 0.00 1.06 0.00 0.00 27.41 29.34 1iwl h HIS 138 CO 0.87 1.21 0.52 1.14 0.86 0.00 0.00 177.93 182.54 1iwl s GLN 139 N -3.14 0.82 0.03 2.45 -2.07 -1.16 -0.81 119.66 115.79 1iwl s GLN 139 Ca -0.06 -0.33 -0.28 0.00 -1.82 0.00 0.00 55.36 52.88 1iwl s GLN 139 Cb 0.08 0.36 0.07 0.00 -1.09 0.00 0.00 33.01 32.44 1iwl s GLN 139 CO 0.88 -0.36 0.68 -0.59 -1.32 0.00 0.00 175.29 174.57 1iwl s PHE 140 N -3.07 -0.58 0.29 9.60 -0.71 -0.86 -0.45 117.98 122.20 1iwl s PHE 140 Ca 0.06 0.72 -0.10 0.00 -1.04 0.00 0.00 56.93 56.57 1iwl s PHE 140 Cb -0.01 0.48 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 1iwl s PHE 140 CO -0.07 -0.69 0.51 -1.54 -1.34 0.00 0.00 175.22 172.09 1iwl s SER 141 N -1.91 0.19 0.04 1.98 1.04 0.06 -0.23 113.70 114.87 1iwl s SER 141 Ca -0.05 -1.10 -0.27 0.00 0.48 0.00 0.00 55.95 55.01 1iwl s SER 141 Cb -0.00 0.64 0.09 0.00 0.10 0.00 0.00 66.02 66.84 1iwl s SER 141 CO -0.01 -1.25 0.74 0.00 0.98 0.00 0.00 173.24 173.70 1iwl s ALA 142 N -3.56 -1.73 -0.10 5.32 0.00 -0.24 -1.17 121.76 120.28 1iwl s ALA 142 Ca 0.24 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1iwl s ALA 142 Cb -0.01 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.55 1iwl s ALA 142 CO 0.12 -0.63 -0.13 0.08 0.00 0.00 0.00 175.76 175.20 1iwl s VAL 143 N -2.84 1.34 0.24 0.00 1.01 -0.46 -1.47 120.40 118.22 1iwl s VAL 143 Ca -0.00 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1iwl s VAL 143 Cb -0.01 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1iwl s VAL 143 CO -0.06 0.41 0.32 -1.61 0.00 0.00 0.00 175.10 174.16 1iwl s GLU 144 N 1.03 3.32 0.37 2.72 2.02 0.11 0.03 118.70 128.29 1iwl s GLU 144 Ca -0.07 -0.83 0.20 0.00 0.02 0.00 0.00 54.97 54.30 1iwl s GLU 144 Cb -0.15 -2.81 1.26 0.00 0.10 0.00 0.00 34.13 32.53 1iwl s GLU 144 CO -0.01 0.42 1.62 -0.56 0.02 0.00 0.00 175.26 176.75 1iwl h GLN 145 N 1.26 0.14 -0.81 1.61 3.07 0.07 1.24 115.11 121.70 1iwl h GLN 145 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.22 1iwl h GLN 145 Cb 1.23 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1iwl h GLN 145 CO 0.61 0.09 0.00 -0.40 0.09 0.00 0.00 178.83 179.22 1iwl n ASP 146 N -5.06 1.01 0.00 0.06 5.75 -1.26 -4.81 116.55 112.23 1iwl n ASP 146 Ca 0.35 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1iwl n ASP 146 Cb 1.19 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1iwl n ASP 146 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1iwl n ASP 147 N -0.05 -4.75 -4.72 -1.12 -0.08 0.43 -4.96 116.55 101.29 1iwl n ASP 147 Ca 0.01 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.87 1iwl n ASP 147 Cb 0.24 -2.35 -0.03 0.00 2.34 0.00 0.00 41.12 41.32 1iwl n ASP 147 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1iwl s GLN 148 N -1.23 4.45 0.06 -0.67 0.74 -1.19 -4.73 119.66 117.08 1iwl s GLN 148 Ca 0.00 1.82 0.07 0.00 0.05 0.00 0.00 55.36 57.30 1iwl s GLN 148 Cb 0.00 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 1iwl s GLN 148 CO 0.00 -0.20 -0.16 1.03 -0.55 0.00 0.00 175.29 175.41 1iwl s ARG 149 N 0.60 2.08 -0.03 1.67 0.52 0.21 0.04 118.95 124.04 1iwl s ARG 149 Ca 0.57 -0.99 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 1iwl s ARG 149 Cb -0.31 -2.22 0.02 0.00 0.52 0.00 0.00 34.95 32.95 1iwl s ARG 149 CO 0.32 0.53 0.24 -1.54 0.02 0.00 0.00 175.30 174.87 1iwl s SER 150 N -1.63 -0.14 0.03 0.23 1.04 -0.54 -0.53 113.70 112.16 1iwl s SER 150 Ca 0.16 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1iwl s SER 150 Cb -0.11 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1iwl s SER 150 CO 0.07 -0.34 -0.01 -0.94 0.98 0.00 0.00 173.24 173.00 1iwl s SER 151 N -1.01 0.29 -0.02 7.02 1.04 0.36 -1.07 113.70 120.30 1iwl s SER 151 Ca -0.11 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.71 1iwl s SER 151 Cb -0.05 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1iwl s SER 151 CO 0.02 -0.40 -0.02 -0.31 0.98 0.00 0.00 173.24 173.51 1iwl s TYR 152 N -2.20 0.42 -0.12 5.02 1.51 0.68 -1.01 117.35 121.66 1iwl s TYR 152 Ca -0.09 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 1iwl s TYR 152 Cb -0.04 -0.41 -0.00 0.00 -0.11 0.00 0.00 41.96 41.40 1iwl s TYR 152 CO -0.04 -0.10 -0.21 -1.14 -1.11 0.00 0.00 175.55 172.95 1iwl s GLN 153 N 0.65 3.11 0.27 -0.62 2.00 -0.61 -2.03 119.66 122.41 1iwl s GLN 153 Ca -0.07 -0.84 -0.31 0.00 -2.00 0.00 0.00 55.36 52.15 1iwl s GLN 153 Cb -0.10 -2.40 -0.12 0.00 0.80 0.00 0.00 33.01 31.19 1iwl s GLN 153 CO -0.01 0.14 1.63 -1.17 -0.50 0.00 0.00 175.29 175.39 1iwl s LEU 154 N 0.46 4.35 -0.27 3.68 2.96 0.01 -0.89 118.68 128.98 1iwl s LEU 154 Ca -0.15 2.93 -0.14 0.00 -0.22 0.00 0.00 54.13 56.56 1iwl s LEU 154 Cb -0.17 -3.62 -0.13 0.00 0.50 0.00 0.00 46.19 42.77 1iwl s LEU 154 CO 0.06 -0.94 -0.31 0.29 -1.32 0.00 0.00 176.35 174.14 1iwl n LYS 155 N 2.71 0.59 -3.60 1.98 5.02 0.75 -4.85 118.16 120.77 1iwl n LYS 155 Ca 0.10 0.28 -0.13 0.00 -2.02 0.00 0.00 58.31 56.55 1iwl n LYS 155 Cb 0.37 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 1iwl n LYS 155 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1iwl s SER 156 N -7.41 -0.56 -0.13 4.39 1.04 -1.17 -5.02 113.70 104.84 1iwl s SER 156 Ca -0.38 0.88 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 1iwl s SER 156 Cb 0.14 0.83 0.02 0.00 0.10 0.00 0.00 66.02 67.11 1iwl s SER 156 CO 0.50 -0.32 -0.11 -1.58 0.98 0.00 0.00 173.24 172.71 1iwl s GLN 157 N -0.35 1.90 -0.29 4.02 0.74 -1.26 -0.94 119.66 123.49 1iwl s GLN 157 Ca -0.02 -0.40 -0.07 0.00 0.05 0.00 0.00 55.36 54.92 1iwl s GLN 157 Cb -0.03 -1.83 0.01 0.00 1.10 0.00 0.00 33.01 32.25 1iwl s GLN 157 CO 0.01 -0.25 0.07 -0.65 -0.55 0.00 0.00 175.29 173.92 1iwl s GLN 158 N 1.59 3.15 -0.04 1.67 1.11 0.62 -4.97 119.66 122.80 1iwl s GLN 158 Ca 0.05 -0.81 -0.21 0.00 0.01 0.00 0.00 55.36 54.39 1iwl s GLN 158 Cb -0.13 -3.34 -0.05 0.00 -1.01 0.00 0.00 33.01 28.48 1iwl s GLN 158 CO -0.09 -0.41 0.62 -0.80 0.01 0.00 0.00 175.29 174.62 1iwl s ASN 159 N 1.51 6.95 0.00 5.90 0.01 -1.26 -0.91 114.94 127.14 1iwl s ASN 159 Ca 0.03 1.14 0.00 0.00 -0.71 0.00 0.00 52.86 53.32 1iwl s ASN 159 Cb -0.17 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1iwl s ASN 159 CO 0.02 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 1iwl n GLY 160 N 2.77 2.81 3.52 0.66 0.00 -0.23 -4.98 105.19 109.74 1iwl n GLY 160 Ca -0.05 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1iwl n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwl n ALA 161 N -1.40 -0.84 -2.38 4.61 0.00 -1.26 -3.77 120.51 115.47 1iwl n ALA 161 Ca 0.00 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1iwl n ALA 161 Cb 0.00 -1.90 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 1iwl n ALA 161 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iwl s VAL 162 N -1.32 1.90 0.27 0.00 1.01 -1.26 -4.97 120.40 116.03 1iwl s VAL 162 Ca 0.63 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1iwl s VAL 162 Cb -0.62 -1.60 -0.11 0.00 0.00 0.00 0.00 36.38 34.05 1iwl s VAL 162 CO 0.58 0.43 1.59 -0.62 0.00 0.00 0.00 175.10 177.07 1iwl s ASP 163 N -0.84 6.42 0.50 3.32 2.15 -1.26 -4.89 116.67 122.08 1iwl s ASP 163 Ca 0.09 2.89 0.22 0.00 0.43 0.00 0.00 52.55 56.18 1iwl s ASP 163 Cb -0.09 -2.63 1.29 0.00 -0.30 0.00 0.00 42.92 41.19 1iwl s ASP 163 CO 0.00 -0.89 2.00 0.00 -0.17 0.00 0.00 175.17 176.12 1iwl h ALA 164 N 5.17 2.34 0.00 3.66 0.00 -1.99 -1.15 119.26 127.28 1iwl h ALA 164 Ca -0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1iwl h ALA 164 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1iwl h ALA 164 CO 0.81 -0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 1iwl h ALA 165 N 1.75 1.05 0.00 0.00 0.00 -1.94 -0.47 119.26 119.64 1iwl h ALA 165 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1iwl h ALA 165 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1iwl h ALA 165 CO -0.02 0.01 0.00 -0.22 0.00 0.00 0.00 179.25 179.01 1iwl h LYS 166 N 0.00 0.00 -0.60 0.00 1.63 -1.58 -3.04 116.57 112.99 1iwl h LYS 166 Ca -0.00 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 1iwl h LYS 166 Cb 0.10 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 31.53 1iwl h LYS 166 CO 0.00 0.00 0.14 1.19 -3.45 0.00 0.00 179.45 177.33 1iwl n PHE 167 N -2.76 1.88 -4.01 1.91 0.99 -0.18 -4.64 117.46 110.65 1iwl n PHE 167 Ca 0.02 -1.82 -0.10 0.00 -0.00 0.00 0.00 57.45 55.55 1iwl n PHE 167 Cb 0.30 -0.68 -0.11 0.00 -1.00 0.00 0.00 39.48 37.99 1iwl n PHE 167 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1iwl s THR 168 N -3.45 0.25 0.04 4.37 -4.23 -1.15 -3.82 115.64 107.65 1iwl s THR 168 Ca 0.50 -0.94 0.08 0.00 -1.18 0.00 0.00 61.69 60.15 1iwl s THR 168 Cb 0.44 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.87 1iwl s THR 168 CO 0.03 -0.45 -0.22 0.12 -0.54 0.00 0.00 174.62 173.56 1iwl s PHE 169 N -1.40 2.44 -0.30 3.99 5.36 -1.26 -4.99 117.98 121.82 1iwl s PHE 169 Ca -0.14 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 1iwl s PHE 169 Cb -0.10 -1.43 0.19 0.00 -0.34 0.00 0.00 43.02 41.35 1iwl s PHE 169 CO -0.01 0.19 0.60 0.99 -1.46 0.00 0.00 175.22 175.54 1iwl s THR 170 N -0.87 -0.99 0.96 0.12 2.01 -1.26 -5.16 115.64 110.45 1iwl s THR 170 Ca 0.13 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 1iwl s THR 170 Cb -0.10 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.58 1iwl s THR 170 CO 0.04 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.90 1iwl s PRO 171 N 2.85 0.75 0.00 4.92 0.04 -1.26 -5.00 135.00 137.30 1iwl s PRO 171 Ca 0.17 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1iwl s PRO 171 Cb -0.13 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1iwl s PRO 171 CO -0.23 -2.66 0.31 -0.35 0.04 0.00 0.00 177.00 174.11 1iwl n PRO 172 N -4.20 0.00 -3.55 0.56 -0.04 -1.26 -5.01 135.00 121.50 1iwl n PRO 172 Ca 0.07 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 1iwl n PRO 172 Cb 0.54 -0.82 -0.05 0.00 -0.04 0.00 0.00 33.50 33.13 1iwl n PRO 172 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1iwl s GLN 173 N -0.65 0.78 0.00 0.54 1.03 -1.26 -4.91 119.66 115.20 1iwl s GLN 173 Ca 0.00 0.20 0.00 0.00 0.04 0.00 0.00 55.36 55.60 1iwl s GLN 173 Cb 0.00 0.37 0.00 0.00 0.03 0.00 0.00 33.01 33.41 1iwl s GLN 173 CO 0.00 -0.24 0.00 0.41 -2.54 0.00 0.00 175.29 172.92 1iwl n GLY 174 N 0.82 0.73 3.73 2.60 0.00 -1.26 -4.99 105.19 106.81 1iwl n GLY 174 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1iwl n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwl s VAL 175 N -2.99 5.12 -0.08 1.61 1.01 -1.26 -4.86 120.40 118.95 1iwl s VAL 175 Ca 0.00 1.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.95 1iwl s VAL 175 Cb 0.00 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1iwl s VAL 175 CO 0.00 0.32 0.33 -0.89 0.00 0.00 0.00 175.10 174.86 1iwl s THR 176 N 0.56 5.21 -0.22 3.92 2.01 -0.46 -4.96 115.64 121.70 1iwl s THR 176 Ca 0.29 0.65 -0.05 0.00 0.31 0.00 0.00 61.69 62.90 1iwl s THR 176 Cb -0.16 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1iwl s THR 176 CO 0.13 0.51 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.88 1iwl s VAL 177 N -0.49 3.82 -0.42 3.82 1.01 -1.26 -1.19 120.40 125.68 1iwl s VAL 177 Ca 0.20 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1iwl s VAL 177 Cb -0.15 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1iwl s VAL 177 CO 0.09 0.41 0.31 -0.62 0.00 0.00 0.00 175.10 175.28 1iwl s ASP 178 N 1.27 5.99 -0.51 3.32 2.15 0.21 -4.99 116.67 124.10 1iwl s ASP 178 Ca 0.04 -1.13 -0.22 0.00 0.43 0.00 0.00 52.55 51.66 1iwl s ASP 178 Cb -0.15 -2.12 0.04 0.00 -0.30 0.00 0.00 42.92 40.40 1iwl s ASP 178 CO 0.01 -0.51 0.81 -0.62 -0.17 0.00 0.00 175.17 174.68 1iwl s ASP 179 N 2.00 6.32 -0.15 -0.34 -1.08 -1.26 -0.76 116.67 121.41 1iwl s ASP 179 Ca 0.04 -0.44 0.17 0.00 -0.52 0.00 0.00 52.55 51.80 1iwl s ASP 179 Cb -0.21 -2.38 0.77 0.00 -1.46 0.00 0.00 42.92 39.63 1iwl s ASP 179 CO 0.07 -1.04 1.68 0.00 0.52 0.00 0.00 175.17 176.40 1iwl n GLN 180 N 6.89 4.13 -2.82 4.34 6.02 0.13 -4.89 117.38 131.17 1iwl n GLN 180 Ca -0.00 -2.99 -0.43 0.00 -0.01 0.00 0.00 57.00 53.57 1iwl n GLN 180 Cb 0.47 -2.02 -0.04 0.00 1.02 0.00 0.00 30.24 29.67 1iwl n GLN 180 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1iwl s ARG 181 N -2.12 3.38 0.00 -1.09 0.52 -1.23 -4.70 118.95 113.70 1iwl s ARG 181 Ca 0.53 -0.15 0.27 0.00 -0.52 0.00 0.00 55.73 55.86 1iwl s ARG 181 Cb 0.36 -4.03 1.62 0.00 0.52 0.00 0.00 34.95 33.42 1iwl s ARG 181 CO 0.23 -1.44 1.96 1.17 0.02 0.00 0.00 175.30 177.24