#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 1.76 -2.82 1.12 0.31 -1.26 -4.01 118.33 113.43 3igq n VAL 5 Ca 0.00 -0.89 -0.24 0.00 -0.01 0.00 0.00 64.34 63.20 3igq n VAL 5 Cb 0.00 -0.37 0.01 0.00 -0.91 0.00 0.00 33.84 32.58 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 -0.49 5.85 0.61 4.52 1.04 -1.26 -4.65 113.70 119.32 3igq s SER 6 Ca 0.35 0.48 -0.19 0.00 0.48 0.00 0.00 55.95 57.07 3igq s SER 6 Cb 0.26 -1.69 -0.03 0.00 0.10 0.00 0.00 66.02 64.66 3igq s SER 6 CO 0.10 -0.75 1.25 -2.84 0.98 0.00 0.00 173.24 171.97 3igq s PRO 7 N -4.67 2.84 0.32 4.02 0.02 -1.26 -4.63 135.00 131.64 3igq s PRO 7 Ca 0.49 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 63.16 3igq s PRO 7 Cb -0.10 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 3igq s PRO 7 CO 0.40 -1.33 1.24 -1.25 -0.33 0.00 0.00 177.00 175.73 3igq s PRO 8 N -3.31 4.43 0.49 5.54 0.04 -1.26 -5.00 135.00 135.92 3igq s PRO 8 Ca 0.79 2.08 -0.20 0.00 0.04 0.00 0.00 61.00 63.71 3igq s PRO 8 Cb -0.33 -3.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.03 3igq s PRO 8 CO 0.36 -0.07 1.05 -1.25 0.04 0.00 0.00 177.00 177.13 3igq s PRO 9 N -1.71 3.78 0.73 0.56 0.04 -1.26 -4.93 135.00 132.20 3igq s PRO 9 Ca 0.48 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.86 3igq s PRO 9 Cb -0.37 -2.11 0.10 0.00 0.04 0.00 0.00 34.50 32.16 3igq s PRO 9 CO 0.49 -0.46 1.02 -1.25 0.04 0.00 0.00 177.00 176.84 3igq s PRO 10 N -3.20 1.85 -0.15 0.56 0.04 -1.26 -4.86 135.00 127.97 3igq s PRO 10 Ca 0.67 -0.62 -0.22 0.00 0.04 0.00 0.00 61.00 60.87 3igq s PRO 10 Cb -0.17 -2.22 -0.20 0.00 0.04 0.00 0.00 34.50 31.95 3igq s PRO 10 CO 0.21 -1.40 0.49 0.82 0.04 0.00 0.00 177.00 177.15 3igq h ILE 11 N -0.64 1.26 0.00 0.56 2.04 -1.97 -3.50 117.51 115.26 3igq h ILE 11 Ca -0.42 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.38 3igq h ILE 11 Cb 1.29 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 3igq h ILE 11 CO 0.50 0.43 0.00 0.00 0.00 0.00 0.00 178.15 179.07 3igq n ALA 12 N -2.88 0.00 -1.72 1.87 0.00 -1.26 -4.93 120.51 111.60 3igq n ALA 12 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 3igq n ALA 12 Cb 0.45 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.96 3igq n ALA 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3igq n ASP 13 N 0.00 7.52 -4.78 0.00 8.00 -1.26 -5.13 116.55 120.90 3igq n ASP 13 Ca 0.00 -3.82 -0.36 0.00 0.71 0.00 0.00 54.79 51.32 3igq n ASP 13 Cb 0.00 -1.02 -0.01 0.00 -0.02 0.00 0.00 41.12 40.07 3igq n ASP 13 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3igq s GLU 14 N -3.97 3.73 0.48 -1.24 1.03 -1.26 -5.01 118.70 112.46 3igq s GLU 14 Ca 0.57 1.66 -0.20 0.00 0.03 0.00 0.00 54.97 57.02 3igq s GLU 14 Cb 0.46 -2.31 -0.09 0.00 -0.80 0.00 0.00 34.13 31.40 3igq s GLU 14 CO -0.26 -0.54 1.02 -1.25 -1.33 0.00 0.00 175.26 172.90 3igq s PRO 15 N -2.85 3.87 -0.40 -4.83 0.04 -1.26 -4.85 135.00 124.71 3igq s PRO 15 Ca 0.65 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.73 3igq s PRO 15 Cb -0.25 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 3igq s PRO 15 CO 0.30 -0.37 1.76 -1.17 0.04 0.00 0.00 177.00 177.57 3igq s LEU 16 N -3.44 3.47 -0.03 -3.56 2.96 0.43 -4.86 118.68 113.65 3igq s LEU 16 Ca 0.66 1.02 -0.28 0.00 -0.22 0.00 0.00 54.13 55.31 3igq s LEU 16 Cb -0.15 -3.29 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3igq s LEU 16 CO 0.19 -1.82 0.91 -0.89 -1.32 0.00 0.00 176.35 173.42 3igq s THR 17 N 7.20 4.90 -0.28 3.68 2.01 -1.26 -0.00 115.64 131.89 3igq s THR 17 Ca 0.74 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 64.63 3igq s THR 17 Cb -0.19 -4.25 0.04 0.00 0.01 0.00 0.00 72.50 68.11 3igq s THR 17 CO 0.31 0.16 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.67 3igq s VAL 18 N 1.12 2.92 0.11 3.82 1.01 0.41 -4.44 120.40 125.35 3igq s VAL 18 Ca 0.48 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 3igq s VAL 18 Cb -0.20 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 3igq s VAL 18 CO 0.24 0.03 0.81 0.20 0.00 0.00 0.00 175.10 176.39 3igq s ASN 19 N 1.28 7.34 0.11 3.32 0.01 0.45 -0.55 114.94 126.91 3igq s ASN 19 Ca -0.03 1.60 0.07 0.00 -0.71 0.00 0.00 52.86 53.78 3igq s ASN 19 Cb -0.18 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 3igq s ASN 19 CO -0.03 0.07 -0.16 0.42 -1.51 0.00 0.00 177.10 175.89 3igq s THR 20 N -0.45 1.42 -0.01 1.60 -4.23 -0.58 -0.35 115.64 113.03 3igq s THR 20 Ca 0.39 -1.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.17 3igq s THR 20 Cb -0.22 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.16 3igq s THR 20 CO 0.26 -0.29 0.23 -0.83 -0.54 0.00 0.00 174.62 173.45 3igq s GLY 21 N -2.21 -0.07 -0.07 3.99 0.00 -0.60 -1.13 107.32 107.22 3igq s GLY 21 Ca 0.07 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.96 3igq s GLY 21 CO 0.04 -0.00 -0.07 -0.42 0.00 0.00 0.00 173.10 172.64 3igq s ILE 22 N -1.22 0.84 -0.34 0.90 1.01 -1.06 -1.28 121.20 120.05 3igq s ILE 22 Ca -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 3igq s ILE 22 Cb -0.06 -0.84 0.06 0.00 0.01 0.00 0.00 42.46 41.63 3igq s ILE 22 CO 0.03 0.31 0.09 -0.47 0.00 0.00 0.00 174.94 174.90 3igq s TYR 23 N 1.18 3.33 0.03 3.97 6.14 -0.39 -2.00 117.35 129.61 3igq s TYR 23 Ca -0.06 -1.79 -0.30 0.00 0.64 0.00 0.00 57.07 55.56 3igq s TYR 23 Cb -0.14 -2.43 -0.06 0.00 0.42 0.00 0.00 41.96 39.75 3igq s TYR 23 CO -0.02 -0.81 1.42 -0.51 0.64 0.00 0.00 175.55 176.27 3igq s LEU 24 N 1.30 4.33 -0.22 6.97 1.43 -0.53 -1.14 118.68 130.81 3igq s LEU 24 Ca -0.01 2.18 -0.19 0.00 -1.03 0.00 0.00 54.13 55.09 3igq s LEU 24 Cb -0.20 -3.57 -0.16 0.00 0.03 0.00 0.00 46.19 42.29 3igq s LEU 24 CO -0.00 -0.72 0.02 -0.38 0.23 0.00 0.00 176.35 175.50 3igq n ILE 25 N 4.52 1.52 -3.68 -0.59 5.41 0.54 -1.14 119.36 125.94 3igq n ILE 25 Ca 0.13 -0.09 -0.14 0.00 1.00 0.00 0.00 62.75 63.65 3igq n ILE 25 Cb 0.43 -2.04 -0.08 0.00 -0.71 0.00 0.00 39.64 37.24 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 -2.41 0.69 0.05 0.38 2.56 -0.92 -4.62 118.70 114.42 3igq s GLU 26 Ca -0.30 0.57 0.06 0.00 0.00 0.00 0.00 54.97 55.30 3igq s GLU 26 Cb 0.08 0.33 -0.03 0.00 2.00 0.00 0.00 34.13 36.50 3igq s GLU 26 CO 0.53 -0.12 -0.15 0.00 -0.56 0.00 0.00 175.26 174.96 3igq s TYR 28 N -0.99 -0.11 -1.10 0.00 1.13 -0.76 -4.55 117.35 110.96 3igq s TYR 28 Ca 0.16 -0.14 -0.06 0.00 -1.41 0.00 0.00 57.07 55.62 3igq s TYR 28 Cb -0.11 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.38 3igq s TYR 28 CO 0.07 -0.69 0.95 0.45 -2.51 0.00 0.00 175.55 173.82 3igq n SER 29 N -0.47 -4.72 -4.64 -0.18 2.88 -1.26 -0.85 113.62 104.38 3igq n SER 29 Ca -0.07 -0.47 -0.51 0.00 -1.33 0.00 0.00 58.87 56.49 3igq n SER 29 Cb 0.61 -4.32 -0.06 0.00 -0.75 0.00 0.00 64.21 59.69 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 -4.11 2.25 -4.84 2.46 7.94 -1.26 -4.12 117.00 115.32 3igq n LEU 30 Ca -0.06 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.64 3igq n LEU 30 Cb 0.57 -1.25 0.14 0.00 0.53 0.00 0.00 43.42 43.42 3igq n LEU 30 CO 0.54 -0.68 0.76 1.51 -1.11 0.00 0.00 177.39 178.41 3igq s ASP 31 N 1.46 3.54 0.57 1.96 1.47 -0.53 -4.88 116.67 120.26 3igq s ASP 31 Ca 0.87 0.74 0.26 0.00 1.18 0.00 0.00 52.55 55.60 3igq s ASP 31 Cb -0.89 -1.16 1.56 0.00 -0.34 0.00 0.00 42.92 42.08 3igq s ASP 31 CO 0.49 -2.51 2.10 0.44 0.68 0.00 0.00 175.17 176.37 3igq h ASP 32 N -1.47 0.00 -0.04 2.11 3.32 -1.93 -1.22 116.42 117.19 3igq h ASP 32 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3igq h ASP 32 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3igq h ASP 32 CO 0.56 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.37 3igq n LYS 33 N -4.03 2.26 -3.65 3.56 5.02 -1.26 -4.95 118.16 115.11 3igq n LYS 33 Ca 0.02 -1.83 -0.23 0.00 -2.02 0.00 0.00 58.31 54.25 3igq n LYS 33 Cb 0.32 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.22 -1.62 -0.10 7.82 0.00 -0.46 -4.86 120.51 122.51 3igq n ALA 34 Ca 0.15 0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 3igq n ALA 34 Cb 0.57 -3.81 -0.12 0.00 0.00 0.00 0.00 19.45 16.09 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 -4.57 0.81 -4.12 0.00 1.02 -1.26 -0.66 120.64 111.85 3igq n GLU 35 Ca -0.12 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.00 3igq n GLU 35 Cb 0.60 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 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 -2.44 0.47 0.09 2.62 -4.23 -1.26 -1.99 115.64 108.89 3igq s THR 36 Ca -0.21 -1.76 -0.20 0.00 -1.18 0.00 0.00 61.69 58.33 3igq s THR 36 Cb 0.07 -1.46 0.05 0.00 1.34 0.00 0.00 72.50 72.50 3igq s THR 36 CO 0.60 -0.86 0.49 0.72 -0.54 0.00 0.00 174.62 175.03 3igq s PHE 37 N -3.44 -0.37 0.18 3.99 -0.71 -0.89 -1.45 117.98 115.30 3igq s PHE 37 Ca 0.07 0.26 -0.13 0.00 -1.04 0.00 0.00 56.93 56.09 3igq s PHE 37 Cb 0.04 0.34 -0.07 0.00 -1.21 0.00 0.00 43.02 42.12 3igq s PHE 37 CO -0.06 -0.69 0.55 0.15 -1.34 0.00 0.00 175.22 173.83 3igq s LYS 38 N -3.04 3.91 -0.05 1.99 1.02 -0.03 -0.06 119.74 123.48 3igq s LYS 38 Ca -0.02 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.42 3igq s LYS 38 Cb 0.00 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 3igq s LYS 38 CO -0.07 0.41 -0.14 0.08 -0.92 0.00 0.00 175.35 174.71 3igq s VAL 39 N -1.61 1.26 -0.13 3.17 1.01 0.04 -1.84 120.40 122.31 3igq s VAL 39 Ca 0.42 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 3igq s VAL 39 Cb -0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3igq s VAL 39 CO 0.20 0.37 -0.13 0.21 0.00 0.00 0.00 175.10 175.76 3igq s ASN 40 N 0.30 4.05 0.19 3.32 3.84 0.76 -1.87 114.94 125.54 3igq s ASN 40 Ca -0.08 -0.31 -0.23 0.00 0.21 0.00 0.00 52.86 52.45 3igq s ASN 40 Cb -0.13 -1.57 0.05 0.00 -0.55 0.00 0.00 41.25 39.05 3igq s ASN 40 CO 0.03 0.18 0.72 0.00 -2.79 0.00 0.00 177.10 175.23 3igq s ALA 41 N 0.28 -1.47 0.06 1.71 0.00 -0.75 -0.34 121.76 121.25 3igq s ALA 41 Ca -0.09 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.93 3igq s ALA 41 Cb -0.16 0.80 -0.06 0.00 0.00 0.00 0.00 23.12 23.71 3igq s ALA 41 CO 0.05 -0.91 0.38 -0.06 0.00 0.00 0.00 175.76 175.23 3igq s PHE 42 N -3.71 3.59 -0.15 0.00 0.08 -0.30 -0.61 117.98 116.89 3igq s PHE 42 Ca 0.07 0.77 0.01 0.00 0.12 0.00 0.00 56.93 57.90 3igq s PHE 42 Cb -0.03 -2.14 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3igq s PHE 42 CO -0.03 0.54 -0.17 -1.17 -0.10 0.00 0.00 175.22 174.30 3igq s LEU 43 N -1.81 2.38 -0.10 -0.37 2.96 -0.05 -1.26 118.68 120.42 3igq s LEU 43 Ca 0.31 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3igq s LEU 43 Cb -0.14 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3igq s LEU 43 CO 0.17 0.09 0.03 -0.44 -1.32 0.00 0.00 176.35 174.88 3igq s SER 44 N 0.79 5.49 0.02 3.68 0.01 -0.41 -1.52 113.70 121.75 3igq s SER 44 Ca -0.06 0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.43 3igq s SER 44 Cb -0.15 -1.63 -0.01 0.00 0.21 0.00 0.00 66.02 64.43 3igq s SER 44 CO -0.00 0.37 -0.11 -0.76 0.41 0.00 0.00 173.24 173.15 3igq s LEU 45 N -0.80 2.10 -0.05 2.44 1.43 -0.04 -1.56 118.68 122.19 3igq s LEU 45 Ca 0.12 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3igq s LEU 45 Cb -0.12 -0.50 0.03 0.00 0.03 0.00 0.00 46.19 45.63 3igq s LEU 45 CO 0.03 0.05 0.13 -0.55 0.23 0.00 0.00 176.35 176.23 3igq s SER 46 N -0.72 -0.10 0.16 2.29 0.15 0.53 0.65 113.70 116.66 3igq s SER 46 Ca 0.01 0.26 -0.23 0.00 0.70 0.00 0.00 55.95 56.68 3igq s SER 46 Cb -0.06 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.51 3igq s SER 46 CO 0.00 -0.10 0.69 -1.66 1.20 0.00 0.00 173.24 173.37 3igq s TRP 47 N 0.68 -0.41 -0.07 3.44 -2.14 -0.91 -0.41 118.94 119.12 3igq s TRP 47 Ca -0.05 0.15 -0.15 0.00 2.66 0.00 0.00 56.10 58.71 3igq s TRP 47 Cb -0.07 0.60 -0.05 0.00 -3.10 0.00 0.00 33.47 30.85 3igq s TRP 47 CO -0.03 -0.89 0.38 0.21 -2.66 0.00 0.00 176.95 173.96 3igq s LYS 48 N -3.67 4.07 -0.33 3.25 2.47 -1.26 -0.03 119.74 124.24 3igq s LYS 48 Ca 0.04 0.31 -0.01 0.00 -1.56 0.00 0.00 55.97 54.76 3igq s LYS 48 Cb -0.02 -3.32 0.12 0.00 -1.46 0.00 0.00 37.83 33.15 3igq s LYS 48 CO -0.07 0.46 0.16 0.34 0.16 0.00 0.00 175.35 176.40 3igq s ASP 49 N -0.30 3.54 0.62 1.43 -1.08 0.07 -4.87 116.67 116.08 3igq s ASP 49 Ca 0.22 -1.80 0.35 0.00 -0.52 0.00 0.00 52.55 50.80 3igq s ASP 49 Cb -0.15 -0.60 2.01 0.00 -1.46 0.00 0.00 42.92 42.73 3igq s ASP 49 CO 0.10 -0.38 2.27 0.08 0.52 0.00 0.00 175.17 177.76 3igq h ARG 50 N 7.73 0.00 0.00 4.34 0.11 -1.83 -1.41 114.38 123.32 3igq h ARG 50 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3igq h ARG 50 Cb 0.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.07 3igq h ARG 50 CO 0.41 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.48 3igq h ARG 51 N 0.00 0.00 -0.02 0.08 3.08 -1.94 -2.21 114.38 113.37 3igq h ARG 51 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3igq h ARG 51 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3igq h ARG 51 CO -0.00 0.00 -0.16 1.28 -1.07 0.00 0.00 179.97 180.02 3igq n LEU 52 N -2.32 2.24 -4.76 3.04 4.77 -0.53 -4.97 117.00 114.47 3igq n LEU 52 Ca 0.00 -0.90 -0.37 0.00 -0.03 0.00 0.00 56.01 54.71 3igq n LEU 52 Cb 0.15 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3igq n LEU 52 CO 0.16 0.40 0.89 0.00 -1.33 0.00 0.00 177.39 177.51 3igq s ALA 53 N -1.81 2.79 0.04 -1.18 0.00 -0.83 -4.60 121.76 116.17 3igq s ALA 53 Ca 0.19 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 3igq s ALA 53 Cb 0.15 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.83 3igq s ALA 53 CO 0.33 -1.06 0.37 -0.59 0.00 0.00 0.00 175.76 174.81 3igq s PHE 54 N -1.47 -0.20 -0.36 0.00 -0.71 0.31 -4.94 117.98 110.61 3igq s PHE 54 Ca 0.71 0.13 -0.20 0.00 -1.04 0.00 0.00 56.93 56.52 3igq s PHE 54 Cb -0.33 0.17 0.00 0.00 -1.21 0.00 0.00 43.02 41.65 3igq s PHE 54 CO 0.39 -0.54 0.60 0.34 -1.34 0.00 0.00 175.22 174.67 3igq s ASP 55 N -2.01 6.38 0.31 1.98 -1.08 -1.26 -4.54 116.67 116.45 3igq s ASP 55 Ca -0.05 0.04 0.26 0.00 -0.52 0.00 0.00 52.55 52.27 3igq s ASP 55 Cb -0.01 -2.31 0.99 0.00 -1.46 0.00 0.00 42.92 40.13 3igq s ASP 55 CO -0.03 -0.58 1.77 1.55 0.52 0.00 0.00 175.17 178.40 3igq h PRO 56 N 8.51 0.00 0.00 4.34 0.13 -1.93 -1.41 132.00 141.63 3igq h PRO 56 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3igq h PRO 56 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3igq h PRO 56 CO 0.82 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.87 3igq n VAL 57 N -2.43 0.00 -0.24 1.56 0.31 -1.26 -3.38 118.33 112.89 3igq n VAL 57 Ca 0.03 1.15 0.03 0.00 -0.01 0.00 0.00 64.34 65.54 3igq n VAL 57 Cb 0.29 -2.10 0.15 0.00 -0.91 0.00 0.00 33.84 31.27 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 0.00 0.44 0.00 5.55 3.08 -1.93 -0.49 114.38 121.03 3igq h ARG 58 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3igq h ARG 58 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3igq h ARG 58 CO 0.00 0.29 -0.04 0.77 -1.07 0.00 0.00 179.97 179.91 3igq h SER 59 N 0.45 0.00 -0.81 7.04 0.02 -1.39 -3.45 113.55 115.40 3igq h SER 59 Ca 0.37 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.18 3igq h SER 59 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3igq h SER 59 CO -0.36 0.04 -0.17 0.61 -1.14 0.00 0.00 176.83 175.82 3igq n GLY 60 N -0.83 0.34 3.34 -3.77 0.00 -0.19 -5.00 105.19 99.07 3igq n GLY 60 Ca -0.02 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.33 0.06 -0.03 1.61 -7.23 -1.25 -5.08 120.40 106.14 3igq s VAL 61 Ca 0.00 -0.52 0.10 0.00 -1.81 0.00 0.00 61.98 59.75 3igq s VAL 61 Cb 0.00 -1.17 -0.15 0.00 0.56 0.00 0.00 36.38 35.62 3igq s VAL 61 CO 0.00 -0.27 0.22 0.54 -0.31 0.00 0.00 175.10 175.28 3igq n ARG 62 N -0.25 0.46 -3.78 4.82 1.74 -1.26 -4.56 116.66 113.83 3igq n ARG 62 Ca -0.16 -0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 56.71 3igq n ARG 62 Cb 0.64 -1.22 -0.13 0.00 -1.02 0.00 0.00 32.46 30.73 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 -2.64 -0.02 0.03 1.55 1.01 -1.26 -4.32 120.40 114.75 3igq s VAL 63 Ca -0.03 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3igq s VAL 63 Cb 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3igq s VAL 63 CO 0.40 0.03 0.08 -0.54 0.00 0.00 0.00 175.10 175.07 3igq s LYS 64 N 0.59 3.00 -0.08 2.72 1.02 -0.55 -4.89 119.74 121.55 3igq s LYS 64 Ca -0.04 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.39 3igq s LYS 64 Cb -0.06 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 3igq s LYS 64 CO -0.03 0.62 -0.05 0.99 -0.92 0.00 0.00 175.35 175.95 3igq s THR 65 N -1.27 3.85 0.16 2.17 2.01 -1.26 0.11 115.64 121.41 3igq s THR 65 Ca 0.25 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.87 3igq s THR 65 Cb -0.12 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 3igq s THR 65 CO 0.17 0.60 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.32 3igq s TYR 66 N -0.77 1.28 -0.04 4.92 1.51 -0.81 -5.00 117.35 118.44 3igq s TYR 66 Ca 0.12 -0.84 -0.02 0.00 -1.01 0.00 0.00 57.07 55.32 3igq s TYR 66 Cb -0.11 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 3igq s TYR 66 CO 0.02 -0.00 0.07 -2.00 -1.11 0.00 0.00 175.55 172.53 3igq s GLU 67 N -3.80 3.10 0.56 -0.62 2.56 -1.26 -4.34 118.70 114.90 3igq s GLU 67 Ca 0.19 -0.41 0.28 0.00 0.00 0.00 0.00 54.97 55.03 3igq s GLU 67 Cb 0.04 -2.89 1.48 0.00 2.00 0.00 0.00 34.13 34.76 3igq s GLU 67 CO 0.02 0.68 1.98 -1.35 -0.56 0.00 0.00 175.26 176.03 3igq h PRO 68 N 4.47 0.00 0.00 4.30 0.10 -1.98 0.27 132.00 139.16 3igq h PRO 68 Ca -0.50 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 65.55 3igq h PRO 68 Cb 1.19 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.29 3igq h PRO 68 CO 0.60 0.00 -0.21 0.93 0.10 0.00 0.00 178.00 179.42 3igq h GLU 69 N 0.00 0.00 -0.00 1.05 3.07 -2.02 -3.21 114.58 113.47 3igq h GLU 69 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3igq h GLU 69 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3igq h GLU 69 CO -0.00 0.21 -0.28 0.00 -1.40 0.00 0.00 179.01 177.54 3igq n ALA 70 N -2.18 3.05 -2.21 3.43 0.00 0.96 -4.91 120.51 118.65 3igq n ALA 70 Ca 0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 3igq n ALA 70 Cb 0.50 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.84 0.17 0.13 0.00 -4.36 -1.21 -4.82 121.20 108.26 3igq s ILE 71 Ca 0.17 -1.72 -0.30 0.00 -0.26 0.00 0.00 60.65 58.54 3igq s ILE 71 Cb 0.19 -1.64 -0.07 0.00 1.25 0.00 0.00 42.46 42.18 3igq s ILE 71 CO 0.60 -0.77 1.20 0.86 0.24 0.00 0.00 174.94 177.06 3igq s TRP 72 N -3.95 3.43 -0.04 1.37 -0.00 -1.26 -4.88 118.94 113.63 3igq s TRP 72 Ca 0.12 1.35 0.01 0.00 -0.00 0.00 0.00 56.10 57.58 3igq s TRP 72 Cb 0.07 -3.43 0.02 0.00 -0.00 0.00 0.00 33.47 30.13 3igq s TRP 72 CO -0.07 -1.27 -0.06 0.42 -0.00 0.00 0.00 176.95 175.98 3igq s ILE 73 N 0.48 0.60 0.41 5.86 1.01 -1.26 -5.01 121.20 123.28 3igq s ILE 73 Ca 0.56 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.75 3igq s ILE 73 Cb -0.31 -0.59 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 3igq s ILE 73 CO 0.33 0.22 1.31 -0.81 0.00 0.00 0.00 174.94 175.99 3igq n PRO 74 N 3.77 2.06 -3.21 2.79 -0.04 -1.26 -4.95 135.00 134.16 3igq n PRO 74 Ca -0.23 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 3igq n PRO 74 Cb 0.52 -2.43 -0.08 0.00 -0.04 0.00 0.00 33.50 31.48 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 -2.17 3.35 -0.12 0.54 2.02 -1.26 -5.03 118.70 116.02 3igq s GLU 75 Ca 0.59 -0.40 -0.06 0.00 0.02 0.00 0.00 54.97 55.13 3igq s GLU 75 Cb -0.51 -3.91 -0.04 0.00 0.10 0.00 0.00 34.13 29.78 3igq s GLU 75 CO 0.59 -0.84 0.09 0.42 0.02 0.00 0.00 175.26 175.53 3igq s ILE 76 N 2.50 5.04 -0.10 -1.63 -1.09 -1.26 -1.12 121.20 123.53 3igq s ILE 76 Ca 0.19 0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.66 3igq s ILE 76 Cb -0.15 -3.19 0.01 0.00 -1.58 0.00 0.00 42.46 37.55 3igq s ILE 76 CO 0.16 0.58 -0.15 -0.13 -1.23 0.00 0.00 174.94 174.17 3igq s ARG 77 N -0.70 2.15 0.05 2.79 1.81 0.11 -4.99 118.95 120.17 3igq s ARG 77 Ca 0.12 -0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 53.29 3igq s ARG 77 Cb -0.12 -1.83 -0.06 0.00 -0.45 0.00 0.00 34.95 32.49 3igq s ARG 77 CO 0.03 -0.06 1.31 -0.06 -0.68 0.00 0.00 175.30 175.84 3igq s PHE 78 N 0.97 3.20 -0.11 -0.53 0.40 -1.26 -1.10 117.98 119.54 3igq s PHE 78 Ca -0.07 1.05 -0.23 0.00 -0.60 0.00 0.00 56.93 57.08 3igq s PHE 78 Cb -0.15 -3.57 -0.20 0.00 0.51 0.00 0.00 43.02 39.61 3igq s PHE 78 CO -0.01 -1.95 0.70 0.28 0.70 0.00 0.00 175.22 174.94 3igq h VAL 79 N 4.57 1.39 -2.42 -0.44 2.07 -1.39 -3.40 116.25 116.63 3igq h VAL 79 Ca -0.40 -1.91 -0.81 0.00 0.82 0.00 0.00 66.70 64.40 3igq h VAL 79 Cb 1.20 2.56 -0.28 0.00 -1.52 0.00 0.00 31.29 33.26 3igq h VAL 79 CO 0.86 0.45 0.94 -0.46 0.02 0.00 0.00 177.57 179.38 3igq n ASN 80 N -4.69 7.08 -4.23 0.57 6.94 -1.26 -4.92 115.26 114.74 3igq n ASN 80 Ca -0.08 -3.62 -0.22 0.00 -0.02 0.00 0.00 54.58 50.64 3igq n ASN 80 Cb 0.36 -1.18 -0.13 0.00 -2.36 0.00 0.00 39.78 36.47 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 -3.95 1.47 0.10 3.53 -7.23 -1.26 -0.37 120.40 112.68 3igq s VAL 81 Ca 0.37 -1.37 -0.33 0.00 -1.81 0.00 0.00 61.98 58.84 3igq s VAL 81 Cb 0.16 -1.34 -0.14 0.00 0.56 0.00 0.00 36.38 35.62 3igq s VAL 81 CO -0.07 -0.07 1.59 -0.08 -0.31 0.00 0.00 175.10 176.16 3igq h GLU 82 N 4.33 -0.78 -5.85 4.82 4.81 -1.27 -3.45 114.58 117.19 3igq h GLU 82 Ca -0.43 0.05 -0.51 0.00 -0.13 0.00 0.00 59.36 58.34 3igq h GLU 82 Cb 1.18 0.18 -0.16 0.00 0.63 0.00 0.00 28.75 30.58 3igq h GLU 82 CO 0.41 -0.52 -0.76 -0.80 -0.73 0.00 0.00 179.01 176.61 3igq s ASN 83 N -4.55 2.78 0.10 1.04 0.01 -1.26 -5.09 114.94 107.97 3igq s ASN 83 Ca -0.17 -0.94 -0.29 0.00 -0.71 0.00 0.00 52.86 50.75 3igq s ASN 83 Cb 0.06 -0.17 -0.16 0.00 0.41 0.00 0.00 41.25 41.39 3igq s ASN 83 CO 0.62 -0.07 0.66 0.00 -1.51 0.00 0.00 177.10 176.80 3igq n ALA 84 N -0.06 -2.92 -1.04 0.60 0.00 -1.26 -4.77 120.51 111.06 3igq n ALA 84 Ca -0.10 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 3igq n ALA 84 Cb 0.59 -1.48 0.11 0.00 0.00 0.00 0.00 19.45 18.66 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 1.06 0.04 -3.52 0.00 1.85 -1.26 -4.96 116.66 109.87 3igq n ARG 85 Ca 0.17 0.07 -0.42 0.00 -1.00 0.00 0.00 57.85 56.67 3igq n ARG 85 Cb 0.16 -2.02 -0.11 0.00 -1.05 0.00 0.00 32.46 29.45 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 -1.87 5.96 0.01 2.89 2.15 -0.21 -4.95 116.67 120.65 3igq s ASP 86 Ca 0.65 -0.81 0.09 0.00 0.43 0.00 0.00 52.55 52.90 3igq s ASP 86 Cb -0.28 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.21 3igq s ASP 86 CO 0.59 -0.38 -0.26 0.00 -0.17 0.00 0.00 175.17 174.96 3igq s ALA 87 N 1.65 2.19 -0.15 3.66 0.00 -1.26 -0.69 121.76 127.17 3igq s ALA 87 Ca 0.04 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.83 3igq s ALA 87 Cb -0.19 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3igq s ALA 87 CO 0.09 0.53 -0.17 -0.51 0.00 0.00 0.00 175.76 175.70 3igq s ASP 88 N -0.88 2.82 0.14 0.00 1.01 -0.51 -5.00 116.67 114.25 3igq s ASP 88 Ca 0.11 -0.53 -0.31 0.00 0.71 0.00 0.00 52.55 52.52 3igq s ASP 88 Cb -0.10 -1.28 -0.10 0.00 1.01 0.00 0.00 42.92 42.45 3igq s ASP 88 CO 0.00 -0.00 1.68 -0.69 0.21 0.00 0.00 175.17 176.37 3igq s VAL 89 N 1.21 2.57 -0.25 -1.27 1.01 -1.26 -1.25 120.40 121.17 3igq s VAL 89 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 3igq s VAL 89 Cb -0.14 -3.18 -0.16 0.00 0.00 0.00 0.00 36.38 32.91 3igq s VAL 89 CO -0.08 0.01 -0.16 0.52 0.00 0.00 0.00 175.10 175.39 3igq n VAL 90 N 4.31 1.54 -3.69 2.92 0.31 0.16 -4.90 118.33 118.99 3igq n VAL 90 Ca 0.16 -0.38 -0.10 0.00 -0.01 0.00 0.00 64.34 64.00 3igq n VAL 90 Cb 0.38 -1.80 -0.10 0.00 -0.91 0.00 0.00 33.84 31.41 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 -7.13 -0.60 -0.21 4.52 2.15 -0.82 -5.00 116.67 109.57 3igq s ASP 91 Ca -0.35 1.02 0.01 0.00 0.43 0.00 0.00 52.55 53.66 3igq s ASP 91 Cb 0.11 0.91 0.05 0.00 -0.30 0.00 0.00 42.92 43.69 3igq s ASP 91 CO 0.56 -0.20 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.64 3igq s ILE 92 N 1.35 1.63 0.03 4.11 1.01 -1.26 -0.19 121.20 127.89 3igq s ILE 92 Ca -0.09 -1.12 0.04 0.00 0.00 0.00 0.00 60.65 59.48 3igq s ILE 92 Cb -0.07 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3igq s ILE 92 CO -0.13 0.06 -0.13 -0.94 0.00 0.00 0.00 174.94 173.80 3igq s SER 93 N 1.38 1.48 -0.05 3.58 1.04 -0.49 -1.93 113.70 118.70 3igq s SER 93 Ca -0.03 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.02 3igq s SER 93 Cb -0.17 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 3igq s SER 93 CO -0.07 0.01 -0.24 -0.69 0.98 0.00 0.00 173.24 173.23 3igq s VAL 94 N -0.84 1.97 0.62 5.02 1.01 0.12 -0.71 120.40 127.59 3igq s VAL 94 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3igq s VAL 94 Cb -0.08 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.66 3igq s VAL 94 CO 0.01 0.55 0.93 -0.44 0.00 0.00 0.00 175.10 176.15 3igq s SER 95 N -0.15 5.34 0.41 3.32 0.01 -0.43 -1.48 113.70 120.74 3igq s SER 95 Ca -0.03 0.61 0.11 0.00 1.31 0.00 0.00 55.95 57.95 3igq s SER 95 Cb -0.13 -1.49 0.94 0.00 0.21 0.00 0.00 66.02 65.55 3igq s SER 95 CO 0.03 -1.23 1.98 -0.65 0.41 0.00 0.00 173.24 173.78 3igq h PRO 96 N -0.30 0.49 0.00 12.44 0.11 -1.80 -0.57 132.00 142.38 3igq h PRO 96 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3igq h PRO 96 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3igq h PRO 96 CO 0.60 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3igq n ASP 97 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -0.53 116.55 113.98 3igq n ASP 97 Ca 0.10 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.45 3igq n ASP 97 Cb 0.31 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 3.65 6.12 0.00 -0.22 -4.67 105.19 111.66 3igq n GLY 98 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.06 3.95 -0.11 2.61 2.01 -1.25 -0.75 115.64 120.05 3igq s THR 99 Ca 0.00 1.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.97 3igq s THR 99 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3igq s THR 99 CO 0.00 -0.15 0.45 -0.69 -0.69 0.00 0.00 174.62 173.53 3igq s VAL 100 N 3.97 5.18 -0.27 3.82 1.01 0.96 -1.31 120.40 133.75 3igq s VAL 100 Ca 0.63 0.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.46 3igq s VAL 100 Cb -0.26 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3igq s VAL 100 CO 0.22 0.37 0.04 -1.10 0.00 0.00 0.00 175.10 174.62 3igq s GLN 101 N 0.38 3.13 -0.09 2.72 -0.21 0.11 -2.15 119.66 123.56 3igq s GLN 101 Ca 0.25 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.82 3igq s GLN 101 Cb -0.15 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.59 3igq s GLN 101 CO 0.10 -0.38 -0.10 -0.47 -2.12 0.00 0.00 175.29 172.32 3igq s TYR 102 N 1.47 2.84 -0.05 0.91 6.14 0.21 -1.39 117.35 127.48 3igq s TYR 102 Ca 0.03 -0.25 -0.00 0.00 0.64 0.00 0.00 57.07 57.49 3igq s TYR 102 Cb -0.16 -1.75 0.03 0.00 0.42 0.00 0.00 41.96 40.49 3igq s TYR 102 CO 0.00 0.10 -0.00 -1.17 0.64 0.00 0.00 175.55 175.12 3igq s LEU 103 N -0.33 0.89 0.15 6.97 2.96 0.73 -0.86 118.68 129.19 3igq s LEU 103 Ca 0.04 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3igq s LEU 103 Cb -0.13 -0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 3igq s LEU 103 CO 0.02 -0.14 -0.15 -1.83 -1.32 0.00 0.00 176.35 172.93 3igq s GLU 104 N 1.45 1.15 -0.15 1.98 -1.05 -0.58 0.37 118.70 121.89 3igq s GLU 104 Ca -0.03 -1.36 -0.07 0.00 -0.15 0.00 0.00 54.97 53.35 3igq s GLU 104 Cb -0.13 -1.05 -0.04 0.00 -0.44 0.00 0.00 34.13 32.47 3igq s GLU 104 CO -0.03 0.20 0.11 0.50 0.95 0.00 0.00 175.26 176.99 3igq s ARG 105 N -2.94 3.69 0.18 -4.83 3.00 -0.38 -0.87 118.95 116.79 3igq s ARG 105 Ca 0.14 -0.21 0.02 0.00 -1.00 0.00 0.00 55.73 54.67 3igq s ARG 105 Cb -0.04 -3.22 -0.05 0.00 0.00 0.00 0.00 34.95 31.64 3igq s ARG 105 CO 0.04 0.56 -0.00 -0.59 0.00 0.00 0.00 175.30 175.31 3igq s PHE 106 N -0.41 1.26 0.01 5.12 -0.71 0.22 -1.43 117.98 122.04 3igq s PHE 106 Ca 0.11 -1.00 0.04 0.00 -1.04 0.00 0.00 56.93 55.04 3igq s PHE 106 Cb -0.12 -0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 40.96 3igq s PHE 106 CO 0.02 -0.18 -0.12 0.45 -1.34 0.00 0.00 175.22 174.05 3igq s SER 107 N -3.19 1.37 0.04 1.98 0.15 0.14 -1.81 113.70 112.38 3igq s SER 107 Ca 0.24 -0.32 -0.24 0.00 0.70 0.00 0.00 55.95 56.33 3igq s SER 107 Cb 0.06 -0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.31 3igq s SER 107 CO 0.04 0.07 0.56 0.00 1.20 0.00 0.00 173.24 175.11 3igq s ALA 108 N -0.57 -1.44 -0.42 5.45 0.00 -0.78 -1.05 121.76 122.95 3igq s ALA 108 Ca 0.02 0.72 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 3igq s ALA 108 Cb -0.06 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3igq s ALA 108 CO 0.00 -0.51 0.48 0.50 0.00 0.00 0.00 175.76 176.23 3igq s ARG 109 N -2.35 3.18 0.03 0.00 3.52 -1.26 -0.78 118.95 121.28 3igq s ARG 109 Ca -0.06 -0.64 -0.23 0.00 -0.13 0.00 0.00 55.73 54.67 3igq s ARG 109 Cb -0.01 -3.95 -0.06 0.00 -1.56 0.00 0.00 34.95 29.38 3igq s ARG 109 CO -0.01 -0.86 0.69 0.08 -0.81 0.00 0.00 175.30 174.39 3igq s VAL 110 N 2.27 4.79 -0.65 7.11 1.01 0.92 -0.72 120.40 135.13 3igq s VAL 110 Ca 0.14 1.45 -0.13 0.00 0.00 0.00 0.00 61.98 63.45 3igq s VAL 110 Cb -0.16 -4.03 0.17 0.00 0.00 0.00 0.00 36.38 32.35 3igq s VAL 110 CO 0.15 0.40 0.57 -0.76 0.00 0.00 0.00 175.10 175.46 3igq s LEU 111 N -0.21 6.23 -0.46 3.92 1.43 0.50 -2.09 118.68 128.01 3igq s LEU 111 Ca 0.35 -2.26 0.06 0.00 -1.03 0.00 0.00 54.13 51.25 3igq s LEU 111 Cb -0.20 -2.14 0.18 0.00 0.03 0.00 0.00 46.19 44.06 3igq s LEU 111 CO 0.20 -0.67 0.58 -0.55 0.23 0.00 0.00 176.35 176.14 3igq s SER 112 N 2.61 -0.49 0.26 2.29 0.15 -0.84 -4.83 113.70 112.85 3igq s SER 112 Ca 0.10 -1.82 -0.31 0.00 0.70 0.00 0.00 55.95 54.63 3igq s SER 112 Cb -0.21 1.24 -0.12 0.00 -1.71 0.00 0.00 66.02 65.22 3igq s SER 112 CO -0.03 -0.13 1.54 -2.65 1.20 0.00 0.00 173.24 173.17 3igq n PRO 113 N 3.37 2.45 -2.50 5.44 -0.02 -0.98 -4.71 135.00 138.05 3igq n PRO 113 Ca 0.18 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 62.12 3igq n PRO 113 Cb 0.53 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 3igq n PRO 113 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3igq s LEU 114 N -0.11 4.47 0.00 2.45 1.02 0.16 -4.98 118.68 121.69 3igq s LEU 114 Ca 0.67 2.08 0.00 0.00 0.02 0.00 0.00 54.13 56.90 3igq s LEU 114 Cb -0.56 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.05 3igq s LEU 114 CO 0.47 -0.26 0.36 -0.67 0.02 0.00 0.00 176.35 176.27 3igq n ASP 115 N 2.58 0.00 -2.10 2.29 -0.08 -1.26 -4.90 116.55 113.07 3igq n ASP 115 Ca 0.04 0.39 -0.29 0.00 -1.51 0.00 0.00 54.79 53.41 3igq n ASP 115 Cb 0.46 -0.08 -0.04 0.00 2.34 0.00 0.00 41.12 43.80 3igq n ASP 115 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3igq n SER 123 N -0.74 0.38 -4.02 1.67 2.88 -1.26 -5.19 113.62 107.34 3igq n SER 123 Ca 0.00 0.53 -0.09 0.00 -1.33 0.00 0.00 58.87 57.98 3igq n SER 123 Cb 0.00 -0.40 -0.06 0.00 -0.75 0.00 0.00 64.21 63.00 3igq n SER 123 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3igq s GLN 124 N 0.95 1.50 -0.18 -1.46 -2.07 -0.70 -4.99 119.66 112.71 3igq s GLN 124 Ca 0.45 -1.30 0.00 0.00 -1.82 0.00 0.00 55.36 52.70 3igq s GLN 124 Cb -0.64 0.44 0.04 0.00 -1.09 0.00 0.00 33.01 31.76 3igq s GLN 124 CO 0.33 -0.61 -0.09 0.99 -1.32 0.00 0.00 175.29 174.59 3igq s THR 125 N -4.04 1.44 0.25 3.63 2.01 -1.26 -0.21 115.64 117.47 3igq s THR 125 Ca 0.25 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.45 3igq s THR 125 Cb 0.00 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3igq s THR 125 CO 0.09 0.22 0.44 -0.76 -0.69 0.00 0.00 174.62 173.92 3igq s LEU 126 N 1.50 4.17 0.04 4.42 1.43 0.31 -4.92 118.68 125.63 3igq s LEU 126 Ca 0.01 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 3igq s LEU 126 Cb -0.15 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 3igq s LEU 126 CO -0.08 -0.13 -0.16 -1.00 0.23 0.00 0.00 176.35 175.21 3igq s HIS 127 N -2.02 1.39 -0.18 0.29 3.76 -1.26 -0.23 115.29 117.04 3igq s HIS 127 Ca 0.39 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.95 3igq s HIS 127 Cb -0.10 -0.83 0.03 0.00 1.11 0.00 0.00 32.58 32.79 3igq s HIS 127 CO 0.31 0.05 -0.14 0.42 -0.85 0.00 0.00 174.74 174.53 3igq s ILE 128 N -0.81 1.73 -0.09 0.60 1.01 -0.18 -4.76 121.20 118.70 3igq s ILE 128 Ca 0.03 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 3igq s ILE 128 Cb -0.08 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 3igq s ILE 128 CO 0.01 0.35 0.28 -0.31 0.00 0.00 0.00 174.94 175.27 3igq s TYR 129 N 1.39 3.59 -0.05 3.97 2.02 -1.26 -1.20 117.35 125.81 3igq s TYR 129 Ca 0.02 0.71 0.05 0.00 -0.37 0.00 0.00 57.07 57.47 3igq s TYR 129 Cb -0.14 -2.20 -0.00 0.00 -0.40 0.00 0.00 41.96 39.21 3igq s TYR 129 CO -0.10 0.53 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.71 3igq s LEU 130 N -0.51 1.94 0.31 -1.29 1.02 -0.15 -0.88 118.68 119.12 3igq s LEU 130 Ca 0.18 -0.40 0.05 0.00 0.02 0.00 0.00 54.13 53.98 3igq s LEU 130 Cb -0.14 -1.08 -0.06 0.00 0.02 0.00 0.00 46.19 44.93 3igq s LEU 130 CO 0.07 0.17 0.01 0.27 0.02 0.00 0.00 176.35 176.89 3igq s ILE 131 N 0.05 1.37 0.08 -0.59 -4.36 -0.26 -0.22 121.20 117.27 3igq s ILE 131 Ca -0.05 -2.04 0.09 0.00 -0.26 0.00 0.00 60.65 58.39 3igq s ILE 131 Cb -0.13 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 3igq s ILE 131 CO 0.03 -0.12 -0.24 0.54 0.24 0.00 0.00 174.94 175.39 3igq s VAL 132 N -3.18 1.96 0.30 8.37 0.11 -1.23 -0.72 120.40 126.01 3igq s VAL 132 Ca 0.33 -1.50 -0.29 0.00 -2.93 0.00 0.00 61.98 57.60 3igq s VAL 132 Cb 0.07 -1.72 -0.09 0.00 -1.53 0.00 0.00 36.38 33.10 3igq s VAL 132 CO 0.14 0.14 1.09 -0.13 -3.33 0.00 0.00 175.10 173.01 3igq s ARG 133 N -1.64 4.56 0.50 1.54 0.52 -0.28 -4.42 118.95 119.73 3igq s ARG 133 Ca 0.10 1.76 -0.20 0.00 -0.52 0.00 0.00 55.73 56.87 3igq s ARG 133 Cb -0.10 -3.08 -0.08 0.00 0.52 0.00 0.00 34.95 32.21 3igq s ARG 133 CO 0.04 0.15 1.07 -1.12 0.02 0.00 0.00 175.30 175.45 3igq s SER 134 N -0.99 6.19 0.21 0.23 0.01 -0.40 -4.77 113.70 114.18 3igq s SER 134 Ca 0.47 2.01 0.09 0.00 1.31 0.00 0.00 55.95 59.82 3igq s SER 134 Cb -0.30 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.31 3igq s SER 134 CO 0.39 -0.89 -0.16 0.68 0.41 0.00 0.00 173.24 173.67 3igq s VAL 135 N -1.90 1.89 -0.19 3.43 -7.23 -1.26 -5.04 120.40 110.09 3igq s VAL 135 Ca 0.68 -2.21 0.21 0.00 -1.81 0.00 0.00 61.98 58.85 3igq s VAL 135 Cb -0.19 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 3igq s VAL 135 CO 0.22 -0.52 0.94 -0.90 -0.31 0.00 0.00 175.10 174.53 3igq n ASP 136 N -0.34 0.79 0.06 4.85 5.68 -1.26 -3.95 116.55 122.39 3igq n ASP 136 Ca -0.08 0.31 0.13 0.00 -0.50 0.00 0.00 54.79 54.66 3igq n ASP 136 Cb 0.60 0.49 0.46 0.00 -1.14 0.00 0.00 41.12 41.53 3igq n ASP 136 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3igq n THR 137 N -2.70 0.36 -3.89 2.12 -2.24 -1.26 -4.85 114.28 101.82 3igq n THR 137 Ca -0.03 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 3igq n THR 137 Cb 0.63 -0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.07 0.22 -0.26 -0.78 1.81 -1.25 -4.89 118.95 110.73 3igq s ARG 138 Ca 0.12 -0.21 -0.29 0.00 -1.72 0.00 0.00 55.73 53.63 3igq s ARG 138 Cb 0.15 0.09 0.01 0.00 -0.45 0.00 0.00 34.95 34.75 3igq s ARG 138 CO 0.58 -0.04 1.04 1.21 -0.68 0.00 0.00 175.30 177.41 3igq s ASN 139 N -0.67 7.04 -0.19 0.23 3.04 -1.26 -4.25 114.94 118.88 3igq s ASN 139 Ca -0.07 1.26 -0.15 0.00 0.04 0.00 0.00 52.86 53.94 3igq s ASN 139 Cb -0.05 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.09 3igq s ASN 139 CO 0.00 -0.72 0.34 -0.63 -3.04 0.00 0.00 177.10 173.05 3igq s ILE 140 N 3.31 5.25 -0.13 -5.21 1.01 -1.26 -0.42 121.20 123.75 3igq s ILE 140 Ca 0.44 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.72 3igq s ILE 140 Cb -0.14 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.66 3igq s ILE 140 CO 0.09 0.31 -0.19 -0.69 0.00 0.00 0.00 174.94 174.46 3igq s VAL 141 N 0.95 1.81 0.05 2.92 1.01 1.00 -1.72 120.40 126.41 3igq s VAL 141 Ca 0.17 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3igq s VAL 141 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3igq s VAL 141 CO 0.06 0.50 0.97 -0.76 0.00 0.00 0.00 175.10 175.88 3igq s LEU 142 N 0.94 4.43 0.37 3.92 1.43 -1.26 -0.44 118.68 128.06 3igq s LEU 142 Ca -0.06 1.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.80 3igq s LEU 142 Cb -0.15 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 3igq s LEU 142 CO -0.03 -0.18 0.06 0.00 0.23 0.00 0.00 176.35 176.44 3igq s ALA 143 N 0.57 2.75 -0.15 4.21 0.00 0.29 -4.90 121.76 124.52 3igq s ALA 143 Ca 0.50 -1.76 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 3igq s ALA 143 Cb -0.22 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3igq s ALA 143 CO 0.29 -0.26 -0.09 0.08 0.00 0.00 0.00 175.76 175.78 3igq s VAL 144 N -3.17 3.36 -0.50 0.00 1.01 -1.26 -1.53 120.40 118.31 3igq s VAL 144 Ca 0.31 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3igq s VAL 144 Cb 0.07 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 34.10 3igq s VAL 144 CO 0.14 0.50 0.44 -0.62 0.00 0.00 0.00 175.10 175.56 3igq s ASP 145 N 0.57 6.12 0.56 3.32 -1.08 -0.28 -4.84 116.67 121.04 3igq s ASP 145 Ca -0.06 -1.60 0.31 0.00 -0.52 0.00 0.00 52.55 50.68 3igq s ASP 145 Cb -0.15 -2.18 1.69 0.00 -1.46 0.00 0.00 42.92 40.82 3igq s ASP 145 CO 0.03 -0.75 2.16 -0.07 0.52 0.00 0.00 175.17 177.06 3igq h LEU 146 N 8.79 0.00 -1.96 -1.34 3.38 -1.93 -0.41 115.31 121.85 3igq h LEU 146 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3igq h LEU 146 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3igq h LEU 146 CO 0.95 0.06 -0.00 -0.33 0.09 0.00 0.00 178.44 179.21 3igq h GLU 147 N 0.00 0.00 -0.44 1.13 5.08 -1.96 -2.51 114.58 115.89 3igq h GLU 147 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3igq h GLU 147 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3igq h GLU 147 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3igq n LYS 148 N -3.10 2.96 -3.94 2.33 4.76 -0.17 -4.88 118.16 116.12 3igq n LYS 148 Ca -0.01 -2.35 -0.35 0.00 -2.87 0.00 0.00 58.31 52.73 3igq n LYS 148 Cb 0.23 -1.46 -0.13 0.00 -1.84 0.00 0.00 35.03 31.83 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 -1.33 4.04 0.02 -0.18 1.01 -0.95 -2.56 120.40 120.46 3igq s VAL 149 Ca 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 3igq s VAL 149 Cb 0.20 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3igq s VAL 149 CO 0.19 0.40 0.11 0.61 0.00 0.00 0.00 175.10 176.40 3igq n GLY 150 N 4.52 1.26 3.23 4.51 0.00 -0.85 -4.97 105.19 112.90 3igq n GLY 150 Ca -0.17 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.01 0.46 0.27 1.61 -2.85 -1.26 -1.46 119.74 114.50 3igq s LYS 151 Ca 0.02 0.33 -0.02 0.00 -1.00 0.00 0.00 55.97 55.31 3igq s LYS 151 Cb -0.00 0.22 0.43 0.00 -2.06 0.00 0.00 37.83 36.41 3igq s LYS 151 CO 0.01 -0.08 1.88 -0.97 0.10 0.00 0.00 175.35 176.29 3igq h ASN 152 N 5.24 1.03 -0.65 0.03 -0.73 -1.39 -3.47 115.58 115.63 3igq h ASN 152 Ca -0.27 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.91 3igq h ASN 152 Cb 1.18 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.57 3igq h ASN 152 CO 0.31 0.64 0.00 -0.90 -0.37 0.00 0.00 177.43 177.12 3igq n ASP 153 N -4.52 0.00 -0.81 1.15 5.75 -1.26 -5.06 116.55 111.81 3igq n ASP 153 Ca 0.16 -0.47 0.12 0.00 -0.01 0.00 0.00 54.79 54.59 3igq n ASP 153 Cb 0.21 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.83 2.64 -4.56 -1.12 8.00 -1.26 -4.87 116.55 114.54 3igq n ASP 154 Ca 0.00 -1.84 -0.36 0.00 0.71 0.00 0.00 54.79 53.31 3igq n ASP 154 Cb 0.00 0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.12 4.67 -0.00 2.53 1.01 -1.26 0.12 120.40 125.36 3igq s VAL 155 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 3igq s VAL 155 Cb 0.20 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3igq s VAL 155 CO 0.37 0.40 0.61 0.15 0.00 0.00 0.00 175.10 176.62 3igq h PHE 156 N 7.40 -0.06 -2.39 5.22 3.57 -0.65 -3.44 116.94 126.59 3igq h PHE 156 Ca -0.37 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 3igq h PHE 156 Cb 1.17 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3igq h PHE 156 CO 0.62 -0.04 0.09 1.47 -2.23 0.00 0.00 178.31 178.22 3igq n LEU 157 N -2.29 0.00 -4.68 0.59 -0.00 -1.22 -4.09 117.00 105.31 3igq n LEU 157 Ca -0.01 -0.97 -0.48 0.00 -0.00 0.00 0.00 56.01 54.55 3igq n LEU 157 Cb 0.03 1.40 -0.05 0.00 -0.00 0.00 0.00 43.42 44.80 3igq n LEU 157 CO 0.02 -0.32 1.50 0.41 -0.00 0.00 0.00 177.39 179.01 3igq n THR 158 N -0.20 0.60 0.00 1.47 -1.04 -1.26 -1.01 114.28 112.84 3igq n THR 158 Ca -0.03 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3igq n THR 158 Cb 0.22 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 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 4.41 1.52 2.90 3.41 0.00 -1.26 -5.06 105.19 111.11 3igq n GLY 159 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.33 0.48 0.16 1.61 0.52 -0.18 -1.02 118.94 118.18 3igq s TRP 160 Ca 0.00 -0.09 -0.04 0.00 0.02 0.00 0.00 56.10 55.99 3igq s TRP 160 Cb 0.00 -0.42 -0.05 0.00 -1.15 0.00 0.00 33.47 31.85 3igq s TRP 160 CO 0.00 -0.09 0.38 -0.51 0.02 0.00 0.00 176.95 176.75 3igq s ASP 161 N 0.49 6.47 -0.26 2.95 1.01 0.99 0.02 116.67 128.33 3igq s ASP 161 Ca -0.05 0.55 -0.19 0.00 0.71 0.00 0.00 52.55 53.57 3igq s ASP 161 Cb -0.09 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 3igq s ASP 161 CO -0.00 0.03 0.58 -0.63 0.21 0.00 0.00 175.17 175.35 3igq s ILE 162 N -1.71 5.02 -0.12 0.77 1.01 0.33 -1.12 121.20 125.38 3igq s ILE 162 Ca 0.41 0.97 -0.24 0.00 0.00 0.00 0.00 60.65 61.79 3igq s ILE 162 Cb -0.12 -3.90 -0.26 0.00 0.01 0.00 0.00 42.46 38.19 3igq s ILE 162 CO 0.26 0.03 0.67 -0.33 0.00 0.00 0.00 174.94 175.56 3igq h GLU 163 N 7.99 0.11 -3.24 2.79 4.39 0.18 -3.46 114.58 123.35 3igq h GLU 163 Ca -0.28 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 3igq h GLU 163 Cb 1.13 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.74 3igq h GLU 163 CO 0.75 1.09 0.06 -1.54 -1.16 0.00 0.00 179.01 178.21 3igq s SER 164 N -6.65 -0.33 -0.12 1.42 1.04 -1.04 -5.00 113.70 103.01 3igq s SER 164 Ca -0.20 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 3igq s SER 164 Cb 0.01 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.73 3igq s SER 164 CO 0.72 -0.99 0.06 0.12 0.98 0.00 0.00 173.24 174.13 3igq s PHE 165 N -3.82 0.34 0.08 5.02 5.36 -1.26 -0.76 117.98 122.94 3igq s PHE 165 Ca 0.05 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 55.84 3igq s PHE 165 Cb -0.00 -0.69 -0.01 0.00 -0.34 0.00 0.00 43.02 41.98 3igq s PHE 165 CO -0.08 -0.40 0.06 0.25 -1.46 0.00 0.00 175.22 173.59 3igq n THR 166 N 5.23 0.00 -3.88 0.12 -2.24 -0.88 -4.81 114.28 107.83 3igq n THR 166 Ca -0.06 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 61.07 3igq n THR 166 Cb 0.49 0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.31 -0.24 -0.02 6.98 0.00 -1.26 -0.11 121.76 124.80 3igq s ALA 167 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3igq s ALA 167 Cb 0.00 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3igq s ALA 167 CO 0.06 -0.29 0.02 0.08 0.00 0.00 0.00 175.76 175.64 3igq s VAL 168 N -2.13 -0.05 0.06 0.00 1.01 -0.26 -4.97 120.40 114.06 3igq s VAL 168 Ca -0.09 0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 3igq s VAL 168 Cb -0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 36.38 36.22 3igq s VAL 168 CO -0.02 0.07 1.27 -0.69 0.00 0.00 0.00 175.10 175.73 3igq s VAL 169 N 0.87 3.83 -0.00 2.92 1.01 -1.26 -0.56 120.40 127.21 3igq s VAL 169 Ca -0.07 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.24 3igq s VAL 169 Cb -0.10 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3igq s VAL 169 CO -0.02 0.08 0.07 0.29 0.00 0.00 0.00 175.10 175.52 3igq n LYS 170 N 4.23 0.11 0.00 2.72 4.76 -0.16 -4.92 118.16 124.90 3igq n LYS 170 Ca 0.10 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3igq n LYS 170 Cb 0.45 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 3igq n LYS 170 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3igq n LEU 180 N -1.62 0.00 -4.25 -0.35 4.32 -0.70 -3.91 117.00 110.48 3igq n LEU 180 Ca -0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.84 3igq n LEU 180 Cb 0.09 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.79 3igq n LEU 180 CO 0.07 0.00 -0.41 -1.83 -1.22 0.00 0.00 177.39 174.00 3igq s GLU 181 N 0.00 1.06 -0.29 3.23 -1.05 -1.26 -1.28 118.70 119.12 3igq s GLU 181 Ca 0.00 -1.44 -0.25 0.00 -0.15 0.00 0.00 54.97 53.13 3igq s GLU 181 Cb 0.00 -0.65 0.16 0.00 -0.44 0.00 0.00 34.13 33.20 3igq s GLU 181 CO 0.00 0.08 1.24 0.45 0.95 0.00 0.00 175.26 177.99 3igq s SER 182 N -3.13 -0.25 -0.04 0.83 0.15 -1.26 -4.85 113.70 105.15 3igq s SER 182 Ca 0.16 0.48 0.06 0.00 0.70 0.00 0.00 55.95 57.35 3igq s SER 182 Cb 0.02 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 3igq s SER 182 CO 0.01 -0.08 -0.23 -0.75 1.20 0.00 0.00 173.24 173.39 3igq s LYS 183 N 0.12 2.20 -0.02 5.44 2.20 -1.25 -3.53 119.74 124.90 3igq s LYS 183 Ca 0.05 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 3igq s LYS 183 Cb -0.05 -1.95 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 3igq s LYS 183 CO -0.11 0.40 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.74 3igq s LEU 184 N -0.25 3.39 -0.33 5.43 1.43 0.69 -0.99 118.68 128.05 3igq s LEU 184 Ca 0.00 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3igq s LEU 184 Cb -0.12 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.30 3igq s LEU 184 CO 0.02 0.31 0.03 -0.62 0.23 0.00 0.00 176.35 176.32 3igq s ASP 185 N -1.30 4.84 -0.20 2.29 2.15 0.28 -0.98 116.67 123.75 3igq s ASP 185 Ca 0.17 -1.72 -0.26 0.00 0.43 0.00 0.00 52.55 51.17 3igq s ASP 185 Cb -0.11 -1.68 -0.01 0.00 -0.30 0.00 0.00 42.92 40.82 3igq s ASP 185 CO 0.07 -0.34 0.87 -0.31 -0.17 0.00 0.00 175.17 175.29 3igq s TYR 186 N 1.09 3.38 -0.19 -5.34 1.51 -0.34 -1.10 117.35 116.35 3igq s TYR 186 Ca 0.02 1.26 -0.02 0.00 -1.01 0.00 0.00 57.07 57.32 3igq s TYR 186 Cb -0.20 -3.07 -0.01 0.00 -0.11 0.00 0.00 41.96 38.57 3igq s TYR 186 CO -0.05 -0.33 -0.09 -0.65 -1.11 0.00 0.00 175.55 173.33 3igq s GLN 187 N 2.53 3.33 -0.38 -0.62 -0.21 0.84 -1.01 119.66 124.15 3igq s GLN 187 Ca 0.38 -0.67 -0.10 0.00 0.02 0.00 0.00 55.36 55.00 3igq s GLN 187 Cb -0.16 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.04 3igq s GLN 187 CO 0.10 -0.09 0.20 -1.17 -2.12 0.00 0.00 175.29 172.21 3igq s LEU 188 N 1.15 4.74 -0.21 2.90 2.96 0.69 -2.07 118.68 128.84 3igq s LEU 188 Ca 0.01 -1.15 -0.19 0.00 -0.22 0.00 0.00 54.13 52.58 3igq s LEU 188 Cb -0.14 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3igq s LEU 188 CO -0.02 -0.41 0.57 -0.60 -1.32 0.00 0.00 176.35 174.56 3igq s ARG 189 N 1.49 4.17 0.27 1.98 3.52 0.06 -0.53 118.95 129.91 3igq s ARG 189 Ca 0.01 0.48 0.09 0.00 -0.13 0.00 0.00 55.73 56.19 3igq s ARG 189 Cb -0.20 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 3igq s ARG 189 CO 0.05 -0.24 -0.13 0.96 -0.81 0.00 0.00 175.30 175.13 3igq s ILE 190 N 1.93 1.99 0.03 4.11 -4.36 0.70 0.86 121.20 126.46 3igq s ILE 190 Ca 0.25 -2.24 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 3igq s ILE 190 Cb -0.16 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.25 3igq s ILE 190 CO 0.10 -0.40 0.26 -0.94 0.24 0.00 0.00 174.94 174.20 3igq s SER 191 N -3.45 -0.08 0.33 4.36 1.04 -0.27 -1.73 113.70 113.90 3igq s SER 191 Ca 0.28 -0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.24 3igq s SER 191 Cb -0.00 0.32 -0.12 0.00 0.10 0.00 0.00 66.02 66.32 3igq s SER 191 CO 0.12 -0.55 1.51 0.54 0.98 0.00 0.00 173.24 175.84 3igq n ARG 192 N 0.81 2.59 0.00 4.02 1.74 -1.26 -0.01 116.66 124.55 3igq n ARG 192 Ca -0.20 0.91 0.08 0.00 -0.77 0.00 0.00 57.85 57.87 3igq n ARG 192 Cb 0.58 -2.65 0.45 0.00 -1.02 0.00 0.00 32.46 29.82 3igq n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15