#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igq n VAL 5 N 0.00 1.87 -2.93 2.03 0.31 -1.26 -2.98 118.33 115.36 3igq n VAL 5 Ca 0.00 -1.53 -0.25 0.00 -0.01 0.00 0.00 64.34 62.55 3igq n VAL 5 Cb 0.00 0.01 0.01 0.00 -0.91 0.00 0.00 33.84 32.95 3igq n VAL 5 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3igq s SER 6 N -1.52 6.01 0.50 4.52 1.04 -1.26 -4.66 113.70 118.33 3igq s SER 6 Ca 0.37 0.52 -0.23 0.00 0.48 0.00 0.00 55.95 57.10 3igq s SER 6 Cb 0.27 -1.84 -0.07 0.00 0.10 0.00 0.00 66.02 64.48 3igq s SER 6 CO 0.12 -0.62 1.25 -2.65 0.98 0.00 0.00 173.24 172.33 3igq n PRO 7 N -2.11 1.67 -1.92 4.02 -0.02 -1.26 -4.65 135.00 130.73 3igq n PRO 7 Ca 0.00 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 3igq n PRO 7 Cb 0.57 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3igq n PRO 7 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3igq s PRO 8 N -2.55 3.79 0.51 0.52 0.04 -1.26 -4.98 135.00 131.06 3igq s PRO 8 Ca 0.67 2.28 -0.18 0.00 0.04 0.00 0.00 61.00 63.81 3igq s PRO 8 Cb -0.46 -2.68 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 3igq s PRO 8 CO 0.53 -0.69 1.00 -1.25 0.04 0.00 0.00 177.00 176.64 3igq s PRO 9 N -2.39 3.84 0.69 0.56 0.04 -1.26 -4.89 135.00 131.59 3igq s PRO 9 Ca 0.60 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 3igq s PRO 9 Cb -0.41 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.03 3igq s PRO 9 CO 0.52 -0.37 1.06 -1.25 0.04 0.00 0.00 177.00 177.01 3igq s PRO 10 N -3.71 2.88 0.07 0.56 0.04 -1.26 -4.83 135.00 128.74 3igq s PRO 10 Ca 0.62 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 3igq s PRO 10 Cb -0.12 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 3igq s PRO 10 CO 0.26 -1.14 1.55 0.82 0.04 0.00 0.00 177.00 178.53 3igq h ILE 11 N -0.61 1.20 0.00 0.56 2.04 -1.96 -3.47 117.51 115.28 3igq h ILE 11 Ca -0.44 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 64.78 3igq h ILE 11 Cb 1.22 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3igq h ILE 11 CO 0.56 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.90 3igq n ALA 12 N -2.26 0.94 -2.08 1.87 0.00 -1.26 -5.00 120.51 112.72 3igq n ALA 12 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3igq n ALA 12 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3igq n ALA 12 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3igq n ASP 13 N 0.00 0.13 -4.75 0.00 2.03 -1.26 -5.10 116.55 107.60 3igq n ASP 13 Ca 0.00 -1.86 -0.41 0.00 0.52 0.00 0.00 54.79 53.05 3igq n ASP 13 Cb 0.00 -0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.19 3igq n ASP 13 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3igq s GLU 14 N 0.00 4.59 0.97 -0.67 1.03 -1.26 -5.03 118.70 118.34 3igq s GLU 14 Ca 0.06 1.83 -0.13 0.00 0.03 0.00 0.00 54.97 56.76 3igq s GLU 14 Cb 0.06 -3.20 0.17 0.00 -0.80 0.00 0.00 34.13 30.37 3igq s GLU 14 CO -0.03 0.12 1.12 -1.25 -1.33 0.00 0.00 175.26 173.90 3igq s PRO 15 N -1.16 0.62 -0.51 -4.83 0.04 -1.26 -4.82 135.00 123.09 3igq s PRO 15 Ca 0.47 0.31 -0.22 0.00 0.04 0.00 0.00 61.00 61.60 3igq s PRO 15 Cb -0.32 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.48 3igq s PRO 15 CO 0.40 -2.55 0.77 -1.17 0.04 0.00 0.00 177.00 174.49 3igq s LEU 16 N -6.28 4.47 -0.06 -3.56 2.96 0.15 -4.95 118.68 111.42 3igq s LEU 16 Ca 0.65 -0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 53.75 3igq s LEU 16 Cb -0.16 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 3igq s LEU 16 CO 0.55 -1.01 1.03 -0.89 -1.32 0.00 0.00 176.35 174.71 3igq s THR 17 N 3.26 4.71 -0.29 3.68 2.01 -1.26 -0.15 115.64 127.60 3igq s THR 17 Ca 0.24 1.97 -0.05 0.00 0.31 0.00 0.00 61.69 64.16 3igq s THR 17 Cb -0.15 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.12 3igq s THR 17 CO 0.17 0.05 0.04 -0.69 -0.69 0.00 0.00 174.62 173.50 3igq s VAL 18 N 1.72 3.54 -0.03 3.82 1.01 0.12 -4.47 120.40 126.11 3igq s VAL 18 Ca 0.51 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 3igq s VAL 18 Cb -0.20 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3igq s VAL 18 CO 0.22 0.05 0.81 0.20 0.00 0.00 0.00 175.10 176.38 3igq s ASN 19 N 1.41 7.16 0.24 3.32 0.01 0.15 -0.10 114.94 127.14 3igq s ASN 19 Ca 0.00 1.40 0.10 0.00 -0.71 0.00 0.00 52.86 53.66 3igq s ASN 19 Cb -0.18 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 38.96 3igq s ASN 19 CO 0.00 -0.15 -0.19 0.42 -1.51 0.00 0.00 177.10 175.67 3igq s THR 20 N 0.76 2.20 -0.02 1.60 -4.23 -0.46 0.20 115.64 115.69 3igq s THR 20 Ca 0.43 -2.28 -0.22 0.00 -1.18 0.00 0.00 61.69 58.44 3igq s THR 20 Cb -0.19 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.52 3igq s THR 20 CO 0.22 -0.42 0.48 -0.83 -0.54 0.00 0.00 174.62 173.54 3igq s GLY 21 N -3.30 -0.35 -0.07 3.99 0.00 -0.65 -0.71 107.32 106.22 3igq s GLY 21 Ca 0.26 0.73 0.02 0.00 0.00 0.00 0.00 44.72 45.74 3igq s GLY 21 CO 0.11 0.45 -0.13 -0.42 0.00 0.00 0.00 173.10 173.11 3igq s ILE 22 N -1.49 1.22 -0.28 0.90 1.01 -1.17 -0.94 121.20 120.45 3igq s ILE 22 Ca -0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 3igq s ILE 22 Cb -0.02 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.37 3igq s ILE 22 CO 0.05 0.37 0.01 -0.47 0.00 0.00 0.00 174.94 174.91 3igq s TYR 23 N 0.62 3.15 0.01 3.97 6.14 -0.00 -2.19 117.35 129.05 3igq s TYR 23 Ca -0.15 -1.42 -0.30 0.00 0.64 0.00 0.00 57.07 55.84 3igq s TYR 23 Cb -0.16 -2.16 -0.04 0.00 0.42 0.00 0.00 41.96 40.02 3igq s TYR 23 CO 0.04 -0.70 1.12 -0.51 0.64 0.00 0.00 175.55 176.15 3igq s LEU 24 N 1.38 4.35 -0.22 6.97 1.43 0.31 -0.95 118.68 131.94 3igq s LEU 24 Ca -0.00 1.84 -0.17 0.00 -1.03 0.00 0.00 54.13 54.77 3igq s LEU 24 Cb -0.18 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.33 3igq s LEU 24 CO -0.01 -0.43 -0.05 -0.38 0.23 0.00 0.00 176.35 175.71 3igq n ILE 25 N 4.09 1.52 -3.72 -0.59 5.41 0.67 -0.96 119.36 125.77 3igq n ILE 25 Ca 0.08 -0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.61 3igq n ILE 25 Cb 0.48 -2.06 -0.10 0.00 -0.71 0.00 0.00 39.64 37.25 3igq n ILE 25 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3igq s GLU 26 N -2.43 0.49 0.02 0.38 2.56 -0.81 -4.60 118.70 114.32 3igq s GLU 26 Ca -0.30 0.62 0.03 0.00 0.00 0.00 0.00 54.97 55.32 3igq s GLU 26 Cb 0.08 0.22 -0.04 0.00 2.00 0.00 0.00 34.13 36.40 3igq s GLU 26 CO 0.50 -0.07 -0.03 0.00 -0.56 0.00 0.00 175.26 175.10 3igq s TYR 28 N -1.09 -0.16 -1.19 0.00 1.13 -0.71 -4.61 117.35 110.72 3igq s TYR 28 Ca 0.19 -0.15 -0.02 0.00 -1.41 0.00 0.00 57.07 55.68 3igq s TYR 28 Cb -0.11 0.64 0.00 0.00 -1.10 0.00 0.00 41.96 41.39 3igq s TYR 28 CO 0.10 -0.86 1.01 0.45 -2.51 0.00 0.00 175.55 173.74 3igq n SER 29 N -0.45 -3.24 -4.66 -0.18 2.88 -1.26 -0.53 113.62 106.19 3igq n SER 29 Ca -0.06 -0.57 -0.47 0.00 -1.33 0.00 0.00 58.87 56.44 3igq n SER 29 Cb 0.61 -4.89 -0.04 0.00 -0.75 0.00 0.00 64.21 59.13 3igq n SER 29 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3igq n LEU 30 N -4.22 2.88 -4.85 2.46 7.94 -1.26 -4.13 117.00 115.82 3igq n LEU 30 Ca -0.19 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.51 3igq n LEU 30 Cb 0.63 -1.39 0.11 0.00 0.53 0.00 0.00 43.42 43.30 3igq n LEU 30 CO 0.59 -0.42 0.76 1.51 -1.11 0.00 0.00 177.39 178.72 3igq s ASP 31 N 0.80 4.05 0.64 1.96 1.47 -0.37 -4.89 116.67 120.32 3igq s ASP 31 Ca 0.79 0.87 0.39 0.00 1.18 0.00 0.00 52.55 55.77 3igq s ASP 31 Cb -0.72 -1.40 2.20 0.00 -0.34 0.00 0.00 42.92 42.67 3igq s ASP 31 CO 0.40 -2.20 2.33 0.44 0.68 0.00 0.00 175.17 176.82 3igq h ASP 32 N -1.26 0.00 -0.00 2.11 3.32 -1.93 -0.51 116.42 118.14 3igq h ASP 32 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3igq h ASP 32 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3igq h ASP 32 CO 0.64 0.00 -0.13 0.29 -1.72 0.00 0.00 179.24 178.32 3igq n LYS 33 N -3.38 1.84 -3.72 3.56 5.02 -1.26 -4.94 118.16 115.28 3igq n LYS 33 Ca -0.03 -1.44 -0.25 0.00 -2.02 0.00 0.00 58.31 54.57 3igq n LYS 33 Cb 0.08 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.67 3igq n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3igq n ALA 34 N 0.68 -1.46 -0.10 7.82 0.00 -0.20 -4.86 120.51 122.40 3igq n ALA 34 Ca 0.14 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.68 3igq n ALA 34 Cb 0.51 -4.37 -0.14 0.00 0.00 0.00 0.00 19.45 15.44 3igq n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3igq n GLU 35 N -4.71 0.90 -4.01 0.00 1.02 -1.26 -0.24 120.64 112.33 3igq n GLU 35 Ca -0.05 0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 3igq n GLU 35 Cb 0.57 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 3igq n GLU 35 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3igq s THR 36 N -2.46 0.17 0.08 2.62 -4.23 -1.26 -2.32 115.64 108.24 3igq s THR 36 Ca -0.12 -1.42 -0.20 0.00 -1.18 0.00 0.00 61.69 58.78 3igq s THR 36 Cb 0.06 -1.12 0.04 0.00 1.34 0.00 0.00 72.50 72.83 3igq s THR 36 CO 0.74 -0.78 0.47 0.72 -0.54 0.00 0.00 174.62 175.23 3igq s PHE 37 N -3.13 -0.33 0.23 3.99 -0.71 -0.95 -1.23 117.98 115.84 3igq s PHE 37 Ca -0.00 0.23 -0.10 0.00 -1.04 0.00 0.00 56.93 56.01 3igq s PHE 37 Cb 0.02 0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 42.06 3igq s PHE 37 CO -0.07 -0.66 0.56 0.15 -1.34 0.00 0.00 175.22 173.86 3igq s LYS 38 N -2.95 3.83 -0.02 1.99 1.02 0.31 -0.45 119.74 123.47 3igq s LYS 38 Ca -0.02 0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.33 3igq s LYS 38 Cb -0.00 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.65 3igq s LYS 38 CO -0.06 0.32 -0.12 0.08 -0.92 0.00 0.00 175.35 174.65 3igq s VAL 39 N -1.80 1.00 -0.14 3.17 1.01 0.08 -1.74 120.40 121.98 3igq s VAL 39 Ca 0.47 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3igq s VAL 39 Cb -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3igq s VAL 39 CO 0.21 0.30 -0.21 0.21 0.00 0.00 0.00 175.10 175.60 3igq s ASN 40 N -0.04 3.05 0.29 3.32 3.84 0.62 -2.24 114.94 123.79 3igq s ASN 40 Ca 0.00 -0.59 -0.19 0.00 0.21 0.00 0.00 52.86 52.29 3igq s ASN 40 Cb -0.08 -1.41 0.02 0.00 -0.55 0.00 0.00 41.25 39.23 3igq s ASN 40 CO 0.00 0.07 0.69 0.00 -2.79 0.00 0.00 177.10 175.07 3igq s ALA 41 N 0.88 -0.98 -0.12 1.71 0.00 -0.90 -0.24 121.76 122.11 3igq s ALA 41 Ca -0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 3igq s ALA 41 Cb -0.15 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 3igq s ALA 41 CO -0.03 -1.00 0.10 -0.06 0.00 0.00 0.00 175.76 174.77 3igq s PHE 42 N -3.68 3.46 -0.17 0.00 0.08 -0.13 -0.42 117.98 117.12 3igq s PHE 42 Ca 0.14 0.41 -0.01 0.00 0.12 0.00 0.00 56.93 57.58 3igq s PHE 42 Cb -0.05 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.46 3igq s PHE 42 CO 0.08 0.60 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.51 3igq s LEU 43 N -0.78 2.62 -0.13 -0.37 2.96 -0.34 -0.82 118.68 121.81 3igq s LEU 43 Ca 0.13 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3igq s LEU 43 Cb -0.12 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3igq s LEU 43 CO 0.03 0.07 0.11 -0.44 -1.32 0.00 0.00 176.35 174.80 3igq s SER 44 N 0.93 6.12 0.01 3.68 0.01 -0.11 -1.00 113.70 123.34 3igq s SER 44 Ca -0.02 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.64 3igq s SER 44 Cb -0.15 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 3igq s SER 44 CO -0.01 0.36 -0.12 -0.76 0.41 0.00 0.00 173.24 173.12 3igq s LEU 45 N -0.75 2.09 -0.01 2.44 1.43 -0.33 -1.64 118.68 121.92 3igq s LEU 45 Ca 0.13 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3igq s LEU 45 Cb -0.12 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.55 3igq s LEU 45 CO 0.03 0.08 -0.04 -0.55 0.23 0.00 0.00 176.35 176.10 3igq s SER 46 N -0.67 0.52 0.24 2.29 0.15 0.13 0.03 113.70 116.38 3igq s SER 46 Ca 0.02 -0.07 -0.22 0.00 0.70 0.00 0.00 55.95 56.39 3igq s SER 46 Cb -0.06 -0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.17 3igq s SER 46 CO 0.00 0.02 0.67 -1.66 1.20 0.00 0.00 173.24 173.47 3igq s TRP 47 N 0.18 -0.31 -0.19 3.44 -2.14 -0.91 -0.67 118.94 118.33 3igq s TRP 47 Ca -0.02 -0.06 -0.10 0.00 2.66 0.00 0.00 56.10 58.59 3igq s TRP 47 Cb -0.05 0.65 -0.05 0.00 -3.10 0.00 0.00 33.47 30.92 3igq s TRP 47 CO -0.00 -1.10 0.13 0.21 -2.66 0.00 0.00 176.95 173.53 3igq s LYS 48 N -3.86 4.12 -0.38 3.25 2.47 -1.26 0.00 119.74 124.07 3igq s LYS 48 Ca 0.08 -0.21 0.01 0.00 -1.56 0.00 0.00 55.97 54.28 3igq s LYS 48 Cb -0.04 -3.40 0.12 0.00 -1.46 0.00 0.00 37.83 33.05 3igq s LYS 48 CO -0.00 0.35 0.18 0.34 0.16 0.00 0.00 175.35 176.37 3igq s ASP 49 N 0.22 3.79 0.61 1.43 -1.08 0.11 -4.87 116.67 116.89 3igq s ASP 49 Ca 0.09 -2.22 0.39 0.00 -0.52 0.00 0.00 52.55 50.28 3igq s ASP 49 Cb -0.11 -0.96 1.95 0.00 -1.46 0.00 0.00 42.92 42.34 3igq s ASP 49 CO -0.01 -0.33 2.21 0.08 0.52 0.00 0.00 175.17 177.64 3igq h ARG 50 N 7.28 0.00 0.00 4.34 0.11 -1.84 0.20 114.38 124.47 3igq h ARG 50 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3igq h ARG 50 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 3igq h ARG 50 CO 0.47 0.01 0.00 0.54 0.10 0.00 0.00 179.97 181.09 3igq n ARG 51 N -3.17 0.17 -0.01 0.08 1.74 -1.26 -1.90 116.66 112.31 3igq n ARG 51 Ca -0.02 0.52 0.09 0.00 -0.77 0.00 0.00 57.85 57.68 3igq n ARG 51 Cb 0.17 -1.90 0.08 0.00 -1.02 0.00 0.00 32.46 29.79 3igq n ARG 51 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3igq n LEU 52 N -2.23 2.59 -4.75 0.55 4.77 0.06 -4.99 117.00 113.00 3igq n LEU 52 Ca 0.00 -1.03 -0.36 0.00 -0.03 0.00 0.00 56.01 54.59 3igq n LEU 52 Cb 0.14 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3igq n LEU 52 CO 0.15 0.46 0.83 0.00 -1.33 0.00 0.00 177.39 177.50 3igq s ALA 53 N -1.54 2.50 0.11 -1.18 0.00 -0.80 -4.57 121.76 116.30 3igq s ALA 53 Ca 0.22 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3igq s ALA 53 Cb 0.16 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3igq s ALA 53 CO 0.23 -1.23 0.41 -0.59 0.00 0.00 0.00 175.76 174.58 3igq s PHE 54 N -1.66 -0.23 -0.32 0.00 -0.71 0.21 -4.93 117.98 110.35 3igq s PHE 54 Ca 0.77 -0.04 -0.21 0.00 -1.04 0.00 0.00 56.93 56.41 3igq s PHE 54 Cb -0.30 0.27 -0.00 0.00 -1.21 0.00 0.00 43.02 41.77 3igq s PHE 54 CO 0.34 -0.69 0.65 0.34 -1.34 0.00 0.00 175.22 174.53 3igq s ASP 55 N -2.68 6.50 0.51 1.98 -1.08 -1.26 -4.59 116.67 116.06 3igq s ASP 55 Ca 0.02 0.38 0.35 0.00 -0.52 0.00 0.00 52.55 52.78 3igq s ASP 55 Cb 0.01 -2.34 1.85 0.00 -1.46 0.00 0.00 42.92 40.98 3igq s ASP 55 CO -0.11 -0.53 2.06 1.55 0.52 0.00 0.00 175.17 178.67 3igq h PRO 56 N 8.25 0.00 0.07 4.34 0.13 -1.93 -1.26 132.00 141.60 3igq h PRO 56 Ca -0.26 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.50 3igq h PRO 56 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 3igq h PRO 56 CO 0.82 0.00 -2.12 0.28 -0.23 0.00 0.00 178.00 176.75 3igq n VAL 57 N -2.73 1.66 -0.01 1.56 0.31 -1.26 -2.66 118.33 115.19 3igq n VAL 57 Ca -0.02 -0.66 -0.08 0.00 -0.01 0.00 0.00 64.34 63.57 3igq n VAL 57 Cb 0.07 -1.48 0.09 0.00 -0.91 0.00 0.00 33.84 31.61 3igq n VAL 57 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3igq h ARG 58 N 0.04 0.59 0.00 5.55 3.08 -1.94 -3.33 114.38 118.37 3igq h ARG 58 Ca -0.46 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.21 3igq h ARG 58 Cb 2.01 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 32.06 3igq h ARG 58 CO 0.04 0.90 -0.34 0.77 -1.07 0.00 0.00 179.97 180.27 3igq h SER 59 N 0.48 0.00 -0.59 7.04 0.02 -1.34 -3.48 113.55 115.68 3igq h SER 59 Ca 0.04 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 3igq h SER 59 Cb 0.93 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 3igq h SER 59 CO 0.08 0.34 -0.19 0.61 -1.14 0.00 0.00 176.83 176.53 3igq n GLY 60 N 1.18 1.01 3.10 -3.77 0.00 -1.09 -5.02 105.19 100.61 3igq n GLY 60 Ca 0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 3igq n GLY 60 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3igq s VAL 61 N -2.39 0.15 -0.19 1.61 -7.23 -1.25 -5.08 120.40 106.03 3igq s VAL 61 Ca 0.00 -1.26 0.17 0.00 -1.81 0.00 0.00 61.98 59.08 3igq s VAL 61 Cb 0.00 -1.03 -0.25 0.00 0.56 0.00 0.00 36.38 35.66 3igq s VAL 61 CO 0.00 -0.70 0.46 0.54 -0.31 0.00 0.00 175.10 175.09 3igq n ARG 62 N 0.61 0.71 -3.84 4.82 1.74 -1.26 -4.51 116.66 114.93 3igq n ARG 62 Ca -0.18 -0.13 -0.13 0.00 -0.77 0.00 0.00 57.85 56.65 3igq n ARG 62 Cb 0.59 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.49 3igq n ARG 62 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3igq s VAL 63 N -3.09 -0.01 -0.03 1.55 1.01 -1.26 -4.28 120.40 114.28 3igq s VAL 63 Ca -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3igq s VAL 63 Cb 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.42 3igq s VAL 63 CO 0.72 0.03 0.03 -0.54 0.00 0.00 0.00 175.10 175.34 3igq s LYS 64 N 0.33 2.94 -0.10 2.72 1.02 -0.74 -4.91 119.74 121.00 3igq s LYS 64 Ca -0.03 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 3igq s LYS 64 Cb -0.04 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3igq s LYS 64 CO -0.01 0.66 0.02 0.99 -0.92 0.00 0.00 175.35 176.09 3igq s THR 65 N -1.04 4.45 0.23 2.17 2.01 -1.26 -0.25 115.64 121.94 3igq s THR 65 Ca 0.18 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.04 3igq s THR 65 Cb -0.12 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 3igq s THR 65 CO 0.08 0.59 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.25 3igq s TYR 66 N -0.76 1.63 -0.05 4.92 1.51 -1.01 -5.01 117.35 118.58 3igq s TYR 66 Ca 0.12 -0.80 -0.01 0.00 -1.01 0.00 0.00 57.07 55.37 3igq s TYR 66 Cb -0.12 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 3igq s TYR 66 CO 0.02 0.11 0.02 -2.00 -1.11 0.00 0.00 175.55 172.59 3igq s GLU 67 N -3.78 2.96 0.54 -0.62 2.56 -1.26 -4.41 118.70 114.69 3igq s GLU 67 Ca 0.26 -0.46 0.28 0.00 0.00 0.00 0.00 54.97 55.05 3igq s GLU 67 Cb 0.04 -2.79 1.45 0.00 2.00 0.00 0.00 34.13 34.83 3igq s GLU 67 CO 0.08 0.68 1.95 -1.00 -0.56 0.00 0.00 175.26 176.41 3igq h PRO 68 N 4.74 0.00 0.00 4.30 0.13 -1.99 0.88 132.00 140.05 3igq h PRO 68 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 3igq h PRO 68 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3igq h PRO 68 CO 0.57 0.00 -0.33 0.93 -0.23 0.00 0.00 178.00 178.94 3igq h GLU 69 N 0.00 0.00 0.00 0.86 3.07 -2.02 -3.27 114.58 113.22 3igq h GLU 69 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3igq h GLU 69 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3igq h GLU 69 CO -0.00 0.33 -0.17 0.00 -1.40 0.00 0.00 179.01 177.77 3igq n ALA 70 N -2.30 2.69 -2.13 3.43 0.00 0.30 -4.90 120.51 117.61 3igq n ALA 70 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 3igq n ALA 70 Cb 0.46 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 3igq n ALA 70 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3igq s ILE 71 N -3.02 0.26 0.17 0.00 -4.36 -1.23 -4.77 121.20 108.24 3igq s ILE 71 Ca 0.12 -1.79 -0.30 0.00 -0.26 0.00 0.00 60.65 58.42 3igq s ILE 71 Cb 0.18 -1.49 -0.08 0.00 1.25 0.00 0.00 42.46 42.32 3igq s ILE 71 CO 0.59 -0.97 1.19 0.86 0.24 0.00 0.00 174.94 176.85 3igq s TRP 72 N -3.81 3.44 -0.04 1.37 -0.00 -1.16 -4.87 118.94 113.87 3igq s TRP 72 Ca 0.07 1.41 0.02 0.00 -0.00 0.00 0.00 56.10 57.60 3igq s TRP 72 Cb 0.07 -3.42 0.01 0.00 -0.00 0.00 0.00 33.47 30.13 3igq s TRP 72 CO -0.09 -1.19 -0.07 0.42 -0.00 0.00 0.00 176.95 176.02 3igq s ILE 73 N 0.08 0.68 0.38 5.86 1.01 -1.26 -5.02 121.20 122.93 3igq s ILE 73 Ca 0.53 -0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.67 3igq s ILE 73 Cb -0.32 -0.65 -0.11 0.00 0.01 0.00 0.00 42.46 41.38 3igq s ILE 73 CO 0.35 0.24 1.42 -0.81 0.00 0.00 0.00 174.94 176.15 3igq n PRO 74 N 3.76 2.46 -3.09 2.79 -0.04 -1.26 -4.95 135.00 134.67 3igq n PRO 74 Ca -0.23 0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 63.67 3igq n PRO 74 Cb 0.52 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 3igq n PRO 74 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3igq s GLU 75 N -2.09 3.55 -0.14 0.54 2.02 -1.26 -5.03 118.70 116.30 3igq s GLU 75 Ca 0.55 -0.06 -0.07 0.00 0.02 0.00 0.00 54.97 55.40 3igq s GLU 75 Cb -0.50 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 29.83 3igq s GLU 75 CO 0.63 -0.85 0.12 0.42 0.02 0.00 0.00 175.26 175.60 3igq s ILE 76 N 2.81 5.36 -0.13 -1.63 -1.09 -1.26 -1.02 121.20 124.23 3igq s ILE 76 Ca 0.25 0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.84 3igq s ILE 76 Cb -0.14 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 3igq s ILE 76 CO 0.17 0.57 -0.18 -0.13 -1.23 0.00 0.00 174.94 174.14 3igq s ARG 77 N -0.64 2.60 0.07 2.79 1.81 0.23 -4.98 118.95 120.82 3igq s ARG 77 Ca 0.13 -0.70 -0.30 0.00 -1.72 0.00 0.00 55.73 53.14 3igq s ARG 77 Cb -0.12 -2.15 -0.05 0.00 -0.45 0.00 0.00 34.95 32.18 3igq s ARG 77 CO 0.02 -0.05 1.05 -0.06 -0.68 0.00 0.00 175.30 175.58 3igq s PHE 78 N 0.93 3.63 -0.11 -0.53 0.40 -1.26 -0.95 117.98 120.08 3igq s PHE 78 Ca -0.06 1.61 -0.19 0.00 -0.60 0.00 0.00 56.93 57.68 3igq s PHE 78 Cb -0.15 -3.20 -0.17 0.00 0.51 0.00 0.00 43.02 40.01 3igq s PHE 78 CO -0.02 -0.37 0.58 0.28 0.70 0.00 0.00 175.22 176.39 3igq h VAL 79 N 4.36 1.13 -2.56 -0.44 2.07 -1.35 -3.39 116.25 116.08 3igq h VAL 79 Ca -0.42 -1.74 -0.81 0.00 0.82 0.00 0.00 66.70 64.55 3igq h VAL 79 Cb 1.22 2.08 -0.27 0.00 -1.52 0.00 0.00 31.29 32.80 3igq h VAL 79 CO 0.75 0.37 0.95 -0.46 0.02 0.00 0.00 177.57 179.19 3igq n ASN 80 N -4.72 6.89 -4.28 0.57 6.94 -1.26 -4.92 115.26 114.48 3igq n ASN 80 Ca -0.07 -3.54 -0.22 0.00 -0.02 0.00 0.00 54.58 50.74 3igq n ASN 80 Cb 0.30 -1.23 -0.12 0.00 -2.36 0.00 0.00 39.78 36.38 3igq n ASN 80 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3igq s VAL 81 N -3.47 1.63 0.07 3.53 -7.23 -1.26 -1.05 120.40 112.61 3igq s VAL 81 Ca 0.35 -1.68 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 3igq s VAL 81 Cb 0.12 -1.60 -0.18 0.00 0.56 0.00 0.00 36.38 35.28 3igq s VAL 81 CO -0.01 -0.23 1.63 -0.08 -0.31 0.00 0.00 175.10 176.11 3igq h GLU 82 N 3.72 -0.56 -6.04 4.82 4.81 -1.31 -3.45 114.58 116.57 3igq h GLU 82 Ca -0.43 0.04 -0.54 0.00 -0.13 0.00 0.00 59.36 58.30 3igq h GLU 82 Cb 1.19 0.13 -0.19 0.00 0.63 0.00 0.00 28.75 30.51 3igq h GLU 82 CO 0.45 -0.36 -0.80 -0.80 -0.73 0.00 0.00 179.01 176.78 3igq s ASN 83 N -4.70 2.68 0.12 1.04 0.01 -1.26 -5.09 114.94 107.73 3igq s ASN 83 Ca -0.16 -0.81 -0.25 0.00 -0.71 0.00 0.00 52.86 50.93 3igq s ASN 83 Cb 0.04 -0.16 -0.14 0.00 0.41 0.00 0.00 41.25 41.40 3igq s ASN 83 CO 0.63 -0.00 0.54 0.00 -1.51 0.00 0.00 177.10 176.75 3igq n ALA 84 N 0.52 -2.65 -1.08 0.60 0.00 -1.26 -4.77 120.51 111.88 3igq n ALA 84 Ca -0.15 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 3igq n ALA 84 Cb 0.56 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.81 3igq n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3igq n ARG 85 N 0.91 0.12 -3.50 0.00 1.85 -1.26 -4.96 116.66 109.82 3igq n ARG 85 Ca 0.15 0.11 -0.42 0.00 -1.00 0.00 0.00 57.85 56.69 3igq n ARG 85 Cb 0.16 -2.22 -0.10 0.00 -1.05 0.00 0.00 32.46 29.24 3igq n ARG 85 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3igq s ASP 86 N -1.98 6.05 0.03 2.89 2.15 -0.17 -4.95 116.67 120.69 3igq s ASP 86 Ca 0.69 -0.73 0.08 0.00 0.43 0.00 0.00 52.55 53.03 3igq s ASP 86 Cb -0.29 -2.14 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 3igq s ASP 86 CO 0.55 -0.36 -0.23 0.00 -0.17 0.00 0.00 175.17 174.95 3igq s ALA 87 N 1.69 2.35 -0.14 3.66 0.00 -1.26 -1.01 121.76 127.04 3igq s ALA 87 Ca 0.05 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.82 3igq s ALA 87 Cb -0.18 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3igq s ALA 87 CO 0.10 0.54 -0.18 -0.51 0.00 0.00 0.00 175.76 175.71 3igq s ASP 88 N -1.14 2.86 0.26 0.00 1.01 -0.45 -5.00 116.67 114.20 3igq s ASP 88 Ca 0.12 -0.55 -0.31 0.00 0.71 0.00 0.00 52.55 52.53 3igq s ASP 88 Cb -0.10 -1.31 -0.12 0.00 1.01 0.00 0.00 42.92 42.40 3igq s ASP 88 CO 0.02 0.02 1.65 -0.69 0.21 0.00 0.00 175.17 176.38 3igq s VAL 89 N 1.09 2.06 -0.20 -1.27 1.01 -1.26 -1.38 120.40 120.45 3igq s VAL 89 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 3igq s VAL 89 Cb -0.14 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 3igq s VAL 89 CO -0.06 0.01 -0.22 0.52 0.00 0.00 0.00 175.10 175.35 3igq n VAL 90 N 2.92 1.12 -3.68 2.92 0.31 0.54 -4.89 118.33 117.57 3igq n VAL 90 Ca 0.11 -0.36 -0.10 0.00 -0.01 0.00 0.00 64.34 63.98 3igq n VAL 90 Cb 0.36 -1.46 -0.10 0.00 -0.91 0.00 0.00 33.84 31.74 3igq n VAL 90 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3igq s ASP 91 N -6.33 -0.63 -0.16 4.52 2.15 -0.86 -5.00 116.67 110.35 3igq s ASP 91 Ca -0.27 1.08 0.00 0.00 0.43 0.00 0.00 52.55 53.79 3igq s ASP 91 Cb 0.09 0.98 0.03 0.00 -0.30 0.00 0.00 42.92 43.72 3igq s ASP 91 CO 0.41 -0.20 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.47 3igq s ILE 92 N 1.26 1.41 0.00 4.11 1.01 -1.26 -0.03 121.20 127.70 3igq s ILE 92 Ca -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3igq s ILE 92 Cb -0.07 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 3igq s ILE 92 CO -0.12 0.28 -0.04 -0.94 0.00 0.00 0.00 174.94 174.13 3igq s SER 93 N 1.52 0.40 -0.08 3.58 1.04 -0.09 -2.39 113.70 117.68 3igq s SER 93 Ca 0.02 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.33 3igq s SER 93 Cb -0.14 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 3igq s SER 93 CO -0.09 -0.02 -0.18 -0.69 0.98 0.00 0.00 173.24 173.24 3igq s VAL 94 N -0.34 2.69 0.63 5.02 1.01 0.65 -0.93 120.40 129.12 3igq s VAL 94 Ca -0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3igq s VAL 94 Cb -0.03 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.31 3igq s VAL 94 CO -0.00 0.56 0.94 -0.44 0.00 0.00 0.00 175.10 176.16 3igq s SER 95 N -0.10 5.33 0.32 3.32 0.01 0.23 -1.80 113.70 121.03 3igq s SER 95 Ca -0.03 0.63 0.07 0.00 1.31 0.00 0.00 55.95 57.93 3igq s SER 95 Cb -0.14 -1.51 0.76 0.00 0.21 0.00 0.00 66.02 65.35 3igq s SER 95 CO 0.04 -1.25 1.82 -0.65 0.41 0.00 0.00 173.24 173.61 3igq h PRO 96 N -0.32 0.73 0.00 12.44 0.11 -1.81 -0.88 132.00 142.26 3igq h PRO 96 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3igq h PRO 96 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3igq h PRO 96 CO 0.60 0.48 0.00 -0.40 -0.21 0.00 0.00 178.00 178.48 3igq n ASP 97 N -4.66 0.00 0.00 -2.05 5.75 -1.26 -0.62 116.55 113.71 3igq n ASP 97 Ca 0.21 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 3igq n ASP 97 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3igq n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3igq n GLY 98 N 0.77 0.81 3.66 6.12 0.00 -0.34 -4.70 105.19 111.51 3igq n GLY 98 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3igq n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3igq s THR 99 N -2.10 4.09 -0.14 2.61 2.01 -1.26 0.04 115.64 120.90 3igq s THR 99 Ca 0.00 1.34 -0.15 0.00 0.31 0.00 0.00 61.69 63.19 3igq s THR 99 Cb 0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3igq s THR 99 CO 0.00 -0.11 0.35 -0.69 -0.69 0.00 0.00 174.62 173.48 3igq s VAL 100 N 3.49 5.26 -0.23 3.82 1.01 0.10 -0.60 120.40 133.25 3igq s VAL 100 Ca 0.59 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 63.21 3igq s VAL 100 Cb -0.25 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 3igq s VAL 100 CO 0.19 0.39 -0.03 -1.10 0.00 0.00 0.00 175.10 174.54 3igq s GLN 101 N 0.40 3.27 -0.06 2.72 -0.21 -0.11 -2.14 119.66 123.52 3igq s GLN 101 Ca 0.20 -0.70 0.03 0.00 0.02 0.00 0.00 55.36 54.90 3igq s GLN 101 Cb -0.14 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.80 3igq s GLN 101 CO 0.06 -0.25 -0.14 -0.47 -2.12 0.00 0.00 175.29 172.37 3igq s TYR 102 N 1.46 2.73 -0.05 0.91 6.14 0.10 -0.91 117.35 127.72 3igq s TYR 102 Ca 0.05 -0.21 0.01 0.00 0.64 0.00 0.00 57.07 57.55 3igq s TYR 102 Cb -0.15 -1.66 0.02 0.00 0.42 0.00 0.00 41.96 40.59 3igq s TYR 102 CO -0.03 0.15 -0.04 -1.17 0.64 0.00 0.00 175.55 175.10 3igq s LEU 103 N -0.60 1.18 0.17 6.97 2.96 0.95 -1.18 118.68 129.13 3igq s LEU 103 Ca 0.09 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 3igq s LEU 103 Cb -0.11 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 3igq s LEU 103 CO 0.01 -0.08 -0.18 -1.83 -1.32 0.00 0.00 176.35 172.95 3igq s GLU 104 N 1.16 1.27 -0.15 1.98 -1.05 -0.17 -0.34 118.70 121.40 3igq s GLU 104 Ca -0.07 -1.42 -0.05 0.00 -0.15 0.00 0.00 54.97 53.27 3igq s GLU 104 Cb -0.14 -1.29 -0.03 0.00 -0.44 0.00 0.00 34.13 32.23 3igq s GLU 104 CO -0.01 0.26 0.02 0.50 0.95 0.00 0.00 175.26 176.97 3igq s ARG 105 N -2.89 3.69 0.21 -4.83 3.00 -0.48 -1.20 118.95 116.44 3igq s ARG 105 Ca 0.16 -0.41 0.02 0.00 -1.00 0.00 0.00 55.73 54.50 3igq s ARG 105 Cb -0.05 -3.04 -0.05 0.00 0.00 0.00 0.00 34.95 31.81 3igq s ARG 105 CO 0.07 0.36 0.05 -0.59 0.00 0.00 0.00 175.30 175.18 3igq s PHE 106 N 0.10 1.36 -0.00 5.12 -0.12 0.43 -1.34 117.98 123.53 3igq s PHE 106 Ca 0.03 -1.09 0.02 0.00 -0.05 0.00 0.00 56.93 55.83 3igq s PHE 106 Cb -0.13 -0.78 -0.00 0.00 -0.63 0.00 0.00 43.02 41.47 3igq s PHE 106 CO 0.02 -0.27 -0.05 0.45 -0.05 0.00 0.00 175.22 175.31 3igq s SER 107 N -3.24 0.61 -0.01 1.98 0.15 -0.18 -2.11 113.70 110.90 3igq s SER 107 Ca 0.30 -0.11 -0.28 0.00 0.70 0.00 0.00 55.95 56.56 3igq s SER 107 Cb 0.07 -0.06 0.09 0.00 -1.71 0.00 0.00 66.02 64.40 3igq s SER 107 CO 0.08 0.05 0.76 0.00 1.20 0.00 0.00 173.24 175.34 3igq s ALA 108 N -0.18 -1.77 -0.41 5.45 0.00 -0.95 -1.00 121.76 122.91 3igq s ALA 108 Ca 0.01 1.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 3igq s ALA 108 Cb -0.02 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3igq s ALA 108 CO -0.00 -0.53 0.41 0.50 0.00 0.00 0.00 175.76 176.14 3igq s ARG 109 N -2.24 3.18 0.02 0.00 3.52 -1.26 -0.74 118.95 121.42 3igq s ARG 109 Ca -0.03 -0.71 -0.27 0.00 -0.13 0.00 0.00 55.73 54.59 3igq s ARG 109 Cb -0.01 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 3igq s ARG 109 CO -0.02 -0.78 0.83 0.08 -0.81 0.00 0.00 175.30 174.60 3igq s VAL 110 N 2.08 4.78 -0.65 7.11 1.01 0.40 -0.80 120.40 134.33 3igq s VAL 110 Ca 0.11 1.76 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 3igq s VAL 110 Cb -0.17 -4.18 0.14 0.00 0.00 0.00 0.00 36.38 32.17 3igq s VAL 110 CO 0.13 0.29 0.70 -0.76 0.00 0.00 0.00 175.10 175.46 3igq s LEU 111 N 0.35 5.84 -0.42 3.92 1.43 -0.21 -2.23 118.68 127.36 3igq s LEU 111 Ca 0.43 -1.82 0.06 0.00 -1.03 0.00 0.00 54.13 51.77 3igq s LEU 111 Cb -0.21 -2.27 0.17 0.00 0.03 0.00 0.00 46.19 43.92 3igq s LEU 111 CO 0.24 -0.94 0.56 -0.55 0.23 0.00 0.00 176.35 175.89 3igq s SER 112 N 3.35 -0.63 0.27 2.29 0.15 -1.02 -4.83 113.70 113.28 3igq s SER 112 Ca 0.12 -1.26 -0.30 0.00 0.70 0.00 0.00 55.95 55.21 3igq s SER 112 Cb -0.22 1.46 -0.12 0.00 -1.71 0.00 0.00 66.02 65.44 3igq s SER 112 CO 0.01 -0.18 1.63 -2.84 1.20 0.00 0.00 173.24 173.07 3igq s PRO 113 N 1.50 4.12 0.37 5.44 0.02 -0.98 -4.64 135.00 140.83 3igq s PRO 113 Ca 0.19 2.60 -0.26 0.00 0.02 0.00 0.00 61.00 63.55 3igq s PRO 113 Cb -0.06 -3.03 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 3igq s PRO 113 CO -0.06 -0.67 1.12 -0.51 -0.33 0.00 0.00 177.00 176.55 3igq s LEU 114 N -0.08 4.26 0.00 -5.54 1.02 0.66 -4.97 118.68 114.02 3igq s LEU 114 Ca 0.66 2.24 0.00 0.00 0.02 0.00 0.00 54.13 57.05 3igq s LEU 114 Cb -0.48 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 41.75 3igq s LEU 114 CO 0.44 -0.50 0.00 0.47 0.02 0.00 0.00 176.35 176.78 3igq n ASP 115 N 0.28 0.00 0.00 2.29 8.00 -1.26 -4.90 116.55 120.96 3igq n ASP 115 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3igq n ASP 115 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 3igq n ASP 115 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3igq n THR 119 N 0.00 0.00 -0.03 -3.53 -2.24 -1.26 -5.11 114.28 102.12 3igq n THR 119 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 3igq n THR 119 Cb 0.00 0.77 -0.17 0.00 -2.10 0.00 0.00 70.33 68.83 3igq n THR 119 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3igq n GLU 120 N 0.00 0.66 -3.06 -0.78 1.02 -1.26 -5.00 120.64 112.22 3igq n GLU 120 Ca 0.00 -0.17 -0.33 0.00 -0.02 0.00 0.00 57.16 56.64 3igq n GLU 120 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 29.84 3igq n GLU 120 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3igq s SER 121 N -4.69 6.83 0.00 1.62 0.15 -1.26 -4.98 113.70 111.38 3igq s SER 121 Ca -0.08 1.38 0.28 0.00 0.70 0.00 0.00 55.95 58.23 3igq s SER 121 Cb 0.13 -2.41 1.29 0.00 -1.71 0.00 0.00 66.02 63.31 3igq s SER 121 CO 0.90 -0.22 1.87 0.47 1.20 0.00 0.00 173.24 177.46 3igq n ASP 122 N -0.34 1.03 -4.39 5.45 8.00 -1.26 -4.89 116.55 120.15 3igq n ASP 122 Ca 0.04 -1.36 -0.21 0.00 0.71 0.00 0.00 54.79 53.96 3igq n ASP 122 Cb 0.53 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 3igq n ASP 122 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3igq s SER 123 N -1.96 2.96 0.03 -2.24 0.01 -1.26 -2.17 113.70 109.07 3igq s SER 123 Ca 0.40 -0.98 -0.27 0.00 1.31 0.00 0.00 55.95 56.41 3igq s SER 123 Cb 0.21 -0.20 0.09 0.00 0.21 0.00 0.00 66.02 66.33 3igq s SER 123 CO 0.34 -0.06 0.77 -1.58 0.41 0.00 0.00 173.24 173.12 3igq s GLN 124 N -3.35 1.00 -0.24 12.44 0.74 -0.61 -4.99 119.66 124.65 3igq s GLN 124 Ca 0.23 -0.23 -0.03 0.00 0.05 0.00 0.00 55.36 55.39 3igq s GLN 124 Cb -0.04 0.46 0.01 0.00 1.10 0.00 0.00 33.01 34.55 3igq s GLN 124 CO 0.09 -0.41 -0.05 0.99 -0.55 0.00 0.00 175.29 175.37 3igq s THR 125 N -2.84 3.08 0.40 -0.34 2.01 -1.26 -0.28 115.64 116.41 3igq s THR 125 Ca 0.00 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 3igq s THR 125 Cb -0.01 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 3igq s THR 125 CO -0.06 0.27 0.64 -0.76 -0.69 0.00 0.00 174.62 174.01 3igq s LEU 126 N 1.38 3.83 0.01 4.42 1.43 0.11 -4.91 118.68 124.96 3igq s LEU 126 Ca 0.02 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3igq s LEU 126 Cb -0.16 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 3igq s LEU 126 CO -0.04 -0.46 -0.08 -1.00 0.23 0.00 0.00 176.35 175.01 3igq s HIS 127 N -2.48 0.67 -0.20 0.29 3.76 -1.26 -0.71 115.29 115.37 3igq s HIS 127 Ca 0.44 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 55.14 3igq s HIS 127 Cb -0.10 -0.42 0.04 0.00 1.11 0.00 0.00 32.58 33.21 3igq s HIS 127 CO 0.39 -0.02 -0.10 0.42 -0.85 0.00 0.00 174.74 174.58 3igq s ILE 128 N -0.46 1.61 -0.12 0.60 1.01 -0.08 -4.74 121.20 119.02 3igq s ILE 128 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 3igq s ILE 128 Cb -0.05 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 3igq s ILE 128 CO 0.00 0.17 0.25 -0.31 0.00 0.00 0.00 174.94 175.04 3igq s TYR 129 N 1.41 3.56 -0.04 3.97 2.02 -1.26 -0.95 117.35 126.07 3igq s TYR 129 Ca -0.01 0.63 0.06 0.00 -0.37 0.00 0.00 57.07 57.38 3igq s TYR 129 Cb -0.16 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 3igq s TYR 129 CO -0.08 0.50 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.66 3igq s LEU 130 N -0.40 2.04 0.35 -1.29 1.02 -0.31 -0.81 118.68 119.27 3igq s LEU 130 Ca 0.16 -0.45 0.05 0.00 0.02 0.00 0.00 54.13 53.91 3igq s LEU 130 Cb -0.13 -1.25 -0.07 0.00 0.02 0.00 0.00 46.19 44.76 3igq s LEU 130 CO 0.05 0.25 0.03 0.27 0.02 0.00 0.00 176.35 176.97 3igq s ILE 131 N -0.30 1.50 -0.02 -0.59 -4.36 -0.13 -0.54 121.20 116.75 3igq s ILE 131 Ca 0.02 -2.02 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 3igq s ILE 131 Cb -0.11 -2.81 -0.01 0.00 1.25 0.00 0.00 42.46 40.77 3igq s ILE 131 CO 0.01 -0.04 -0.19 0.54 0.24 0.00 0.00 174.94 175.50 3igq s VAL 132 N -3.08 1.54 0.43 8.37 0.11 -1.26 -0.60 120.40 125.90 3igq s VAL 132 Ca 0.35 -0.82 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 3igq s VAL 132 Cb 0.08 -1.29 -0.08 0.00 -1.53 0.00 0.00 36.38 33.56 3igq s VAL 132 CO 0.16 0.44 1.29 -0.13 -3.33 0.00 0.00 175.10 173.52 3igq s ARG 133 N -0.31 3.86 0.51 1.54 0.52 -0.19 -4.98 118.95 119.90 3igq s ARG 133 Ca 0.04 2.10 -0.17 0.00 -0.52 0.00 0.00 55.73 57.18 3igq s ARG 133 Cb -0.09 -2.66 -0.08 0.00 0.52 0.00 0.00 34.95 32.64 3igq s ARG 133 CO 0.00 -0.56 0.99 -1.12 0.02 0.00 0.00 175.30 174.63 3igq s SER 134 N -0.85 6.61 0.19 0.23 0.01 -1.26 -4.77 113.70 113.85 3igq s SER 134 Ca 0.59 1.61 0.07 0.00 1.31 0.00 0.00 55.95 59.53 3igq s SER 134 Cb -0.37 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.30 3igq s SER 134 CO 0.47 -0.60 -0.12 0.68 0.41 0.00 0.00 173.24 174.08 3igq s VAL 135 N -2.54 1.53 -0.16 3.43 -7.23 -1.26 -5.09 120.40 109.08 3igq s VAL 135 Ca 0.60 -2.16 0.18 0.00 -1.81 0.00 0.00 61.98 58.79 3igq s VAL 135 Cb -0.10 -2.02 -0.07 0.00 0.56 0.00 0.00 36.38 34.74 3igq s VAL 135 CO 0.29 -0.61 0.96 -2.24 -0.31 0.00 0.00 175.10 173.18 3igq h ASP 136 N 2.60 0.00 1.39 4.85 3.04 -2.04 -3.34 116.42 122.93 3igq h ASP 136 Ca -0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 3igq h ASP 136 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3igq h ASP 136 CO 0.63 0.41 -0.04 0.35 -2.04 0.00 0.00 179.24 178.54 3igq n THR 137 N -2.87 0.52 -3.97 1.15 -2.24 -1.26 -4.84 114.28 100.77 3igq n THR 137 Ca -0.06 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 3igq n THR 137 Cb 0.75 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.33 3igq n THR 137 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3igq s ARG 138 N -3.09 0.40 -0.32 -0.78 1.81 -1.25 -4.89 118.95 110.82 3igq s ARG 138 Ca 0.11 -0.66 -0.25 0.00 -1.72 0.00 0.00 55.73 53.21 3igq s ARG 138 Cb 0.13 0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.78 3igq s ARG 138 CO 0.60 -0.08 0.86 1.21 -0.68 0.00 0.00 175.30 177.22 3igq s ASN 139 N -1.68 6.70 -0.18 0.23 3.04 -1.26 -4.30 114.94 117.49 3igq s ASN 139 Ca -0.12 0.69 -0.14 0.00 0.04 0.00 0.00 52.86 53.32 3igq s ASN 139 Cb -0.07 -2.44 -0.04 0.00 -1.54 0.00 0.00 41.25 37.16 3igq s ASN 139 CO -0.02 -0.72 0.32 -0.63 -3.04 0.00 0.00 177.10 173.01 3igq s ILE 140 N 3.18 5.27 -0.13 -5.21 1.01 -1.26 0.32 121.20 124.38 3igq s ILE 140 Ca 0.36 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.58 3igq s ILE 140 Cb -0.13 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.70 3igq s ILE 140 CO 0.14 0.33 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 3igq s VAL 141 N 0.83 1.42 0.08 2.92 1.01 0.79 -4.94 120.40 122.51 3igq s VAL 141 Ca 0.17 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 3igq s VAL 141 Cb -0.14 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 3igq s VAL 141 CO 0.05 0.43 0.89 -0.76 0.00 0.00 0.00 175.10 175.72 3igq s LEU 142 N 1.45 4.47 0.35 3.92 1.43 -1.26 0.13 118.68 129.18 3igq s LEU 142 Ca 0.03 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 3igq s LEU 142 Cb -0.13 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 3igq s LEU 142 CO -0.09 -0.05 0.11 0.00 0.23 0.00 0.00 176.35 176.55 3igq s ALA 143 N 0.04 2.49 -0.14 4.21 0.00 0.86 -4.89 121.76 124.34 3igq s ALA 143 Ca 0.44 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3igq s ALA 143 Cb -0.22 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.70 3igq s ALA 143 CO 0.27 -0.36 -0.16 0.08 0.00 0.00 0.00 175.76 175.59 3igq s VAL 144 N -3.35 2.65 -0.51 0.00 1.01 -1.26 -1.36 120.40 117.58 3igq s VAL 144 Ca 0.31 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 3igq s VAL 144 Cb 0.05 -2.11 0.12 0.00 0.00 0.00 0.00 36.38 34.45 3igq s VAL 144 CO 0.15 0.52 0.44 -0.62 0.00 0.00 0.00 175.10 175.60 3igq s ASP 145 N 0.67 6.03 0.66 3.32 2.15 0.11 -4.83 116.67 124.78 3igq s ASP 145 Ca -0.08 -1.81 0.43 0.00 0.43 0.00 0.00 52.55 51.53 3igq s ASP 145 Cb -0.16 -2.14 2.34 0.00 -0.30 0.00 0.00 42.92 42.66 3igq s ASP 145 CO 0.02 -0.80 2.34 -0.07 -0.17 0.00 0.00 175.17 176.50 3igq h LEU 146 N 8.74 0.00 -0.40 -1.34 3.38 -1.94 -0.09 115.31 123.66 3igq h LEU 146 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3igq h LEU 146 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3igq h LEU 146 CO 0.97 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.89 3igq n GLU 147 N -3.12 0.21 -0.14 1.13 1.02 -1.26 -2.70 120.64 115.79 3igq n GLU 147 Ca -0.03 0.33 0.07 0.00 -0.02 0.00 0.00 57.16 57.51 3igq n GLU 147 Cb 0.09 -1.83 0.14 0.00 -0.02 0.00 0.00 31.44 29.82 3igq n GLU 147 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3igq n LYS 148 N -2.22 2.18 -4.03 3.49 4.76 -0.05 -4.91 118.16 117.37 3igq n LYS 148 Ca 0.04 -1.87 -0.35 0.00 -2.87 0.00 0.00 58.31 53.26 3igq n LYS 148 Cb 0.31 -1.30 -0.12 0.00 -1.84 0.00 0.00 35.03 32.09 3igq n LYS 148 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3igq s VAL 149 N -1.03 4.32 0.00 -0.18 1.01 -1.10 -3.06 120.40 120.36 3igq s VAL 149 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3igq s VAL 149 Cb 0.13 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3igq s VAL 149 CO 0.18 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3igq n GLY 150 N 4.06 1.20 3.29 4.51 0.00 -0.93 -4.97 105.19 112.35 3igq n GLY 150 Ca -0.17 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 3igq n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3igq s LYS 151 N -0.70 0.64 0.23 1.61 -2.85 -1.26 -0.53 119.74 116.88 3igq s LYS 151 Ca 0.00 0.12 -0.07 0.00 -1.00 0.00 0.00 55.97 55.03 3igq s LYS 151 Cb 0.00 0.30 0.22 0.00 -2.06 0.00 0.00 37.83 36.29 3igq s LYS 151 CO 0.00 -0.15 1.85 -0.97 0.10 0.00 0.00 175.35 176.18 3igq h ASN 152 N 4.35 1.11 -0.91 0.03 -0.73 -1.30 -3.47 115.58 114.67 3igq h ASN 152 Ca -0.28 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 57.78 3igq h ASN 152 Cb 1.17 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 39.48 3igq h ASN 152 CO 0.35 0.90 0.00 -0.90 -0.37 0.00 0.00 177.43 177.41 3igq n ASP 153 N -4.32 0.00 -0.73 1.15 5.75 -1.26 -5.06 116.55 112.08 3igq n ASP 153 Ca 0.09 -0.65 0.12 0.00 -0.01 0.00 0.00 54.79 54.34 3igq n ASP 153 Cb 0.11 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.35 3igq n ASP 153 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3igq n ASP 154 N -1.16 2.42 -4.46 -1.12 8.00 -1.26 -4.85 116.55 114.12 3igq n ASP 154 Ca 0.00 -1.74 -0.36 0.00 0.71 0.00 0.00 54.79 53.41 3igq n ASP 154 Cb 0.00 0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.11 3igq n ASP 154 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3igq s VAL 155 N -2.15 4.22 -0.01 2.53 1.01 -1.26 0.10 120.40 124.85 3igq s VAL 155 Ca 0.27 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 3igq s VAL 155 Cb 0.20 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3igq s VAL 155 CO 0.39 0.38 0.64 0.15 0.00 0.00 0.00 175.10 176.66 3igq h PHE 156 N 7.81 -0.24 -2.34 5.22 3.57 -1.06 -3.44 116.94 126.46 3igq h PHE 156 Ca -0.37 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.13 3igq h PHE 156 Cb 1.18 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 3igq h PHE 156 CO 0.63 -0.15 0.17 1.47 -2.23 0.00 0.00 178.31 178.20 3igq n LEU 157 N -3.16 0.00 -4.62 0.59 -0.00 -1.20 -4.10 117.00 104.51 3igq n LEU 157 Ca -0.03 -1.06 -0.44 0.00 -0.00 0.00 0.00 56.01 54.48 3igq n LEU 157 Cb 0.10 1.67 -0.03 0.00 -0.00 0.00 0.00 43.42 45.16 3igq n LEU 157 CO 0.08 -0.35 1.72 0.41 -0.00 0.00 0.00 177.39 179.24 3igq n THR 158 N -0.28 0.53 0.00 1.47 -1.04 -1.26 -1.19 114.28 112.50 3igq n THR 158 Ca -0.03 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 3igq n THR 158 Cb 0.28 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.45 3igq n THR 158 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3igq n GLY 159 N 5.21 1.34 2.81 3.41 0.00 -1.26 -5.08 105.19 111.62 3igq n GLY 159 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 3igq n GLY 159 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3igq s TRP 160 N -2.13 0.16 0.30 1.61 0.52 -0.34 -1.17 118.94 117.89 3igq s TRP 160 Ca 0.00 0.05 -0.09 0.00 0.02 0.00 0.00 56.10 56.08 3igq s TRP 160 Cb 0.00 -0.28 -0.06 0.00 -1.15 0.00 0.00 33.47 31.98 3igq s TRP 160 CO 0.00 -0.09 0.62 -0.51 0.02 0.00 0.00 176.95 176.99 3igq s ASP 161 N 0.85 6.55 -0.27 2.95 1.01 0.28 -0.56 116.67 127.49 3igq s ASP 161 Ca -0.08 0.93 -0.16 0.00 0.71 0.00 0.00 52.55 53.95 3igq s ASP 161 Cb -0.11 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 3igq s ASP 161 CO -0.02 -0.20 0.42 -0.63 0.21 0.00 0.00 175.17 174.95 3igq s ILE 162 N -2.05 5.14 0.00 0.77 1.01 0.29 -1.40 121.20 124.96 3igq s ILE 162 Ca 0.48 0.67 -0.18 0.00 0.00 0.00 0.00 60.65 61.61 3igq s ILE 162 Cb -0.11 -3.74 -0.33 0.00 0.01 0.00 0.00 42.46 38.29 3igq s ILE 162 CO 0.26 0.13 0.98 -0.33 0.00 0.00 0.00 174.94 175.98 3igq h GLU 163 N 8.12 0.45 -2.44 2.79 4.39 -0.92 -3.45 114.58 123.53 3igq h GLU 163 Ca -0.31 -0.74 0.07 0.00 0.34 0.00 0.00 59.36 58.72 3igq h GLU 163 Cb 1.15 0.27 -0.15 0.00 -0.10 0.00 0.00 28.75 29.92 3igq h GLU 163 CO 0.67 1.34 0.41 -1.54 -1.16 0.00 0.00 179.01 178.73 3igq s SER 164 N -7.29 -0.43 -0.18 1.42 1.04 -1.16 -5.00 113.70 102.10 3igq s SER 164 Ca -0.11 0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 3igq s SER 164 Cb 0.03 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.66 3igq s SER 164 CO 0.90 -0.71 0.07 0.12 0.98 0.00 0.00 173.24 174.60 3igq s PHE 165 N -3.13 0.46 0.35 5.02 5.36 -1.26 -0.78 117.98 124.01 3igq s PHE 165 Ca 0.03 -0.50 0.06 0.00 -0.96 0.00 0.00 56.93 55.56 3igq s PHE 165 Cb -0.01 -0.80 -0.02 0.00 -0.34 0.00 0.00 43.02 41.84 3igq s PHE 165 CO -0.09 -0.55 0.22 0.25 -1.46 0.00 0.00 175.22 173.59 3igq n THR 166 N 5.21 0.00 -4.11 0.12 -2.24 -0.84 -4.77 114.28 107.64 3igq n THR 166 Ca -0.08 -2.35 -0.12 0.00 -2.27 0.00 0.00 64.05 59.23 3igq n THR 166 Cb 0.48 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 3igq n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3igq s ALA 167 N -3.22 0.75 -0.01 6.98 0.00 -1.26 0.36 121.76 125.37 3igq s ALA 167 Ca 0.31 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 3igq s ALA 167 Cb 0.02 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3igq s ALA 167 CO 0.22 -0.11 0.12 0.08 0.00 0.00 0.00 175.76 176.07 3igq s VAL 168 N -2.33 0.07 0.17 0.00 1.01 -0.56 -4.97 120.40 113.79 3igq s VAL 168 Ca -0.01 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 3igq s VAL 168 Cb -0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 36.38 35.91 3igq s VAL 168 CO -0.02 -0.31 0.69 -0.69 0.00 0.00 0.00 175.10 174.77 3igq s VAL 169 N -1.06 4.57 0.14 2.92 1.01 -1.26 -0.37 120.40 126.35 3igq s VAL 169 Ca -0.11 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 3igq s VAL 169 Cb -0.06 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3igq s VAL 169 CO 0.01 0.38 0.06 -0.54 0.00 0.00 0.00 175.10 175.01 3igq s LYS 170 N -1.54 0.96 0.47 2.72 1.02 -0.68 -4.91 119.74 117.78 3igq s LYS 170 Ca 0.37 -1.46 -0.18 0.00 0.02 0.00 0.00 55.97 54.73 3igq s LYS 170 Cb -0.19 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.26 3igq s LYS 170 CO 0.22 -0.27 0.95 -1.25 -0.92 0.00 0.00 175.35 174.08 3igq s PRO 171 N -4.05 4.03 0.04 -1.68 0.05 -1.26 -2.05 135.00 130.08 3igq s PRO 171 Ca 0.25 0.97 -0.31 0.00 0.05 0.00 0.00 61.00 61.97 3igq s PRO 171 Cb 0.07 -2.18 -0.16 0.00 0.05 0.00 0.00 34.50 32.29 3igq s PRO 171 CO 0.03 -0.16 0.77 0.00 0.05 0.00 0.00 177.00 177.69 3igq n ALA 172 N -1.20 -2.97 -2.86 8.56 0.00 -1.26 -4.68 120.51 116.10 3igq n ALA 172 Ca 0.06 0.46 -0.44 0.00 0.00 0.00 0.00 53.44 53.53 3igq n ALA 172 Cb 0.54 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 3igq n ALA 172 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3igq s ASN 173 N -0.20 6.22 0.00 0.00 -0.87 -1.26 -4.80 114.94 114.03 3igq s ASN 173 Ca 0.70 -0.96 0.00 0.00 -1.57 0.00 0.00 52.86 51.03 3igq s ASN 173 Cb -0.98 -2.36 0.00 0.00 -0.02 0.00 0.00 41.25 37.89 3igq s ASN 173 CO 0.47 -1.18 0.00 0.49 -2.57 0.00 0.00 177.10 174.31 3igq n PHE 174 N 6.93 -0.02 -2.12 2.20 3.72 -1.26 -5.27 117.46 121.64 3igq n PHE 174 Ca -0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.03 3igq n PHE 174 Cb 0.45 0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3igq n PHE 174 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3igq s SER 182 N -5.03 5.94 -0.22 4.37 0.15 -1.26 -5.34 113.70 112.31 3igq s SER 182 Ca 0.00 1.78 -0.34 0.00 0.70 0.00 0.00 55.95 58.09 3igq s SER 182 Cb 0.00 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 61.93 3igq s SER 182 CO 0.00 -1.06 1.25 -1.59 1.20 0.00 0.00 173.24 173.04 3igq s LYS 183 N -4.05 0.24 -0.14 5.44 -2.85 -0.87 -4.38 119.74 113.14 3igq s LYS 183 Ca 0.63 -0.04 -0.06 0.00 -1.00 0.00 0.00 55.97 55.49 3igq s LYS 183 Cb -0.15 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 3igq s LYS 183 CO 0.35 -0.10 0.09 -0.51 0.10 0.00 0.00 175.35 175.29 3igq s LEU 184 N -1.76 4.05 -0.41 2.77 1.43 0.30 -1.69 118.68 123.37 3igq s LEU 184 Ca 0.08 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3igq s LEU 184 Cb -0.01 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.33 3igq s LEU 184 CO -0.05 0.31 0.18 -0.62 0.23 0.00 0.00 176.35 176.41 3igq s ASP 185 N -0.47 5.15 -0.27 2.29 2.15 0.50 -1.17 116.67 124.85 3igq s ASP 185 Ca 0.11 -2.10 -0.29 0.00 0.43 0.00 0.00 52.55 50.69 3igq s ASP 185 Cb -0.12 -1.79 0.01 0.00 -0.30 0.00 0.00 42.92 40.72 3igq s ASP 185 CO 0.02 -0.50 1.12 -0.31 -0.17 0.00 0.00 175.17 175.32 3igq s TYR 186 N 1.03 3.11 -0.22 -5.34 1.51 -0.12 -1.50 117.35 115.82 3igq s TYR 186 Ca 0.09 1.21 -0.06 0.00 -1.01 0.00 0.00 57.07 57.31 3igq s TYR 186 Cb -0.22 -3.57 -0.02 0.00 -0.11 0.00 0.00 41.96 38.03 3igq s TYR 186 CO -0.05 -0.92 0.02 -0.65 -1.11 0.00 0.00 175.55 172.84 3igq s GLN 187 N 3.57 3.62 -0.33 -0.62 -0.21 0.16 -0.90 119.66 124.94 3igq s GLN 187 Ca 0.48 -0.51 -0.06 0.00 0.02 0.00 0.00 55.36 55.29 3igq s GLN 187 Cb -0.15 -3.15 0.04 0.00 1.00 0.00 0.00 33.01 30.75 3igq s GLN 187 CO 0.14 -0.05 0.09 -1.17 -2.12 0.00 0.00 175.29 172.17 3igq s LEU 188 N 1.20 4.25 -0.18 2.90 2.96 0.11 -1.99 118.68 127.93 3igq s LEU 188 Ca 0.03 -1.15 -0.16 0.00 -0.22 0.00 0.00 54.13 52.64 3igq s LEU 188 Cb -0.14 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3igq s LEU 188 CO 0.02 -0.31 0.38 -0.60 -1.32 0.00 0.00 176.35 174.51 3igq s ARG 189 N 1.38 4.22 0.19 1.98 3.52 0.04 -0.71 118.95 129.58 3igq s ARG 189 Ca -0.02 0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.85 3igq s ARG 189 Cb -0.19 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.66 3igq s ARG 189 CO 0.02 0.07 -0.12 0.96 -0.81 0.00 0.00 175.30 175.42 3igq s ILE 190 N 0.97 1.54 0.00 4.11 -4.36 0.61 -0.25 121.20 123.81 3igq s ILE 190 Ca 0.19 -2.16 -0.14 0.00 -0.26 0.00 0.00 60.65 58.29 3igq s ILE 190 Cb -0.14 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.57 3igq s ILE 190 CO 0.07 -0.61 0.29 -0.94 0.24 0.00 0.00 174.94 173.98 3igq s SER 191 N -3.28 -0.14 0.30 4.36 1.04 -0.49 -1.57 113.70 113.92 3igq s SER 191 Ca 0.21 -0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.33 3igq s SER 191 Cb 0.01 0.31 -0.12 0.00 0.10 0.00 0.00 66.02 66.31 3igq s SER 191 CO 0.05 -0.48 1.46 0.54 0.98 0.00 0.00 173.24 175.80 3igq n ARG 192 N 1.12 2.40 0.00 4.02 1.74 -0.92 -0.56 116.66 124.46 3igq n ARG 192 Ca -0.21 0.85 0.08 0.00 -0.77 0.00 0.00 57.85 57.80 3igq n ARG 192 Cb 0.57 -2.55 0.50 0.00 -1.02 0.00 0.00 32.46 29.96 3igq n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15