#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iec n VAL 11 N 0.00 0.80 -0.85 0.00 0.31 -1.26 -4.76 118.33 112.57 1iec n VAL 11 Ca 0.00 0.20 -0.31 0.00 -0.01 0.00 0.00 64.34 64.22 1iec n VAL 11 Cb 0.00 -0.98 0.15 0.00 -0.91 0.00 0.00 33.84 32.09 1iec n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iec s ALA 12 N -2.71 1.67 0.73 3.52 0.00 -1.26 -4.92 121.76 118.80 1iec s ALA 12 Ca 0.10 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1iec s ALA 12 Cb 0.09 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1iec s ALA 12 CO 0.21 -2.51 1.16 -2.30 0.00 0.00 0.00 175.76 172.32 1iec n PRO 13 N -4.00 0.58 -4.68 0.00 -0.02 -1.26 -5.02 135.00 120.59 1iec n PRO 13 Ca 0.11 0.26 -0.26 0.00 -2.02 0.00 0.00 63.50 61.59 1iec n PRO 13 Cb 0.52 -2.40 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 1iec n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iec s VAL 14 N -1.79 1.35 0.06 -1.45 1.01 -0.94 -4.81 120.40 113.83 1iec s VAL 14 Ca 0.76 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1iec s VAL 14 Cb -0.34 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1iec s VAL 14 CO 0.47 0.40 0.30 -0.31 0.00 0.00 0.00 175.10 175.97 1iec s TYR 15 N 0.65 3.55 -0.03 5.22 1.51 0.17 -0.05 117.35 128.37 1iec s TYR 15 Ca -0.14 0.56 0.02 0.00 -1.01 0.00 0.00 57.07 56.49 1iec s TYR 15 Cb -0.16 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1iec s TYR 15 CO 0.04 0.55 -0.06 0.54 -1.11 0.00 0.00 175.55 175.52 1iec s VAL 16 N -1.43 0.55 0.09 0.71 0.11 -0.42 -1.07 120.40 118.95 1iec s VAL 16 Ca 0.32 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1iec s VAL 16 Cb -0.13 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1iec s VAL 16 CO 0.20 0.20 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.30 1iec s GLY 17 N 0.45 0.70 0.00 6.54 0.00 0.36 0.69 107.32 116.06 1iec s GLY 17 Ca -0.06 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1iec s GLY 17 CO 0.00 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1iec n GLY 18 N -0.00 0.55 3.75 0.20 0.00 -0.80 -0.91 105.19 107.97 1iec n GLY 18 Ca -0.12 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 1iec n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iec s PHE 19 N -1.94 3.78 -0.79 1.61 0.40 -1.26 -1.20 117.98 118.58 1iec s PHE 19 Ca 0.00 1.55 0.24 0.00 -0.60 0.00 0.00 56.93 58.12 1iec s PHE 19 Cb 0.00 -2.84 0.32 0.00 0.51 0.00 0.00 43.02 41.01 1iec s PHE 19 CO 0.00 0.31 1.28 1.28 0.70 0.00 0.00 175.22 178.78 1iec n LEU 20 N 2.58 0.61 -3.62 -0.37 4.77 0.92 -4.05 117.00 117.83 1iec n LEU 20 Ca -0.02 0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 1iec n LEU 20 Cb 0.50 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1iec n LEU 20 CO 0.47 0.05 0.90 0.00 -1.33 0.00 0.00 177.39 177.48 1iec s ALA 21 N -3.10 -2.03 -0.26 -1.18 0.00 -1.23 -4.65 121.76 109.32 1iec s ALA 21 Ca 0.08 1.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.77 1iec s ALA 21 Cb 0.15 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 22.03 1iec s ALA 21 CO 0.74 -0.23 -0.06 1.03 0.00 0.00 0.00 175.76 177.23 1iec s ARG 22 N -0.45 2.70 0.35 0.00 1.81 -1.26 -1.67 118.95 120.43 1iec s ARG 22 Ca 0.03 -1.07 0.07 0.00 -1.72 0.00 0.00 55.73 53.05 1iec s ARG 22 Cb -0.03 -2.98 0.77 0.00 -0.45 0.00 0.00 34.95 32.25 1iec s ARG 22 CO -0.06 -0.45 1.90 1.88 -0.68 0.00 0.00 175.30 177.90 1iec h TYR 23 N 7.98 0.82 0.00 -0.53 0.05 -1.76 -0.50 116.97 123.03 1iec h TYR 23 Ca -0.30 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1iec h TYR 23 Cb 1.09 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.57 1iec h TYR 23 CO 0.59 0.36 0.00 -0.40 -1.05 0.00 0.00 178.16 177.66 1iec n ASP 24 N -4.52 0.00 -4.71 3.88 5.75 -1.26 -4.74 116.55 110.94 1iec n ASP 24 Ca 0.15 -0.99 -0.36 0.00 -0.01 0.00 0.00 54.79 53.58 1iec n ASP 24 Cb 0.36 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.38 1iec n ASP 24 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1iec s GLN 25 N -2.00 4.20 -0.42 0.11 2.00 -0.20 -5.06 119.66 118.29 1iec s GLN 25 Ca 0.44 -0.02 -0.15 0.00 -2.00 0.00 0.00 55.36 53.63 1iec s GLN 25 Cb 0.20 -3.46 0.03 0.00 0.80 0.00 0.00 33.01 30.58 1iec s GLN 25 CO 0.34 0.18 0.33 0.45 -0.50 0.00 0.00 175.29 176.09 1iec s SER 26 N 0.64 6.13 0.78 6.67 0.15 -1.26 -4.89 113.70 121.91 1iec s SER 26 Ca 0.14 -0.92 -0.15 0.00 0.70 0.00 0.00 55.95 55.72 1iec s SER 26 Cb -0.13 -2.17 -0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1iec s SER 26 CO 0.03 -0.49 0.66 -2.65 1.20 0.00 0.00 173.24 171.99 1iec n PRO 27 N 5.24 0.21 -0.01 5.44 -0.02 -1.26 -4.96 135.00 139.63 1iec n PRO 27 Ca -0.11 0.12 -0.17 0.00 -2.02 0.00 0.00 63.50 61.32 1iec n PRO 27 Cb 0.47 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 1iec n PRO 27 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1iec h ASP 28 N -0.65 0.24 -3.15 2.55 -0.00 -1.96 -3.44 116.42 110.01 1iec h ASP 28 Ca -0.45 -0.98 -0.60 0.00 -0.00 0.00 0.00 57.03 55.00 1iec h ASP 28 Cb 1.33 -0.08 -0.08 0.00 -0.00 0.00 0.00 39.33 40.50 1iec h ASP 28 CO 0.42 1.21 -0.24 -1.61 -0.00 0.00 0.00 179.24 179.01 1iec s GLU 29 N -2.33 4.09 0.51 4.15 8.01 -1.26 -4.98 118.70 126.90 1iec s GLU 29 Ca -0.16 0.29 0.18 0.00 0.01 0.00 0.00 54.97 55.29 1iec s GLU 29 Cb -0.01 -3.33 1.28 0.00 -4.31 0.00 0.00 34.13 27.75 1iec s GLU 29 CO 0.76 0.43 2.09 0.00 0.01 0.00 0.00 175.26 178.55 1iec h ALA 30 N 5.81 2.14 0.00 5.21 0.00 -2.01 -1.80 119.26 128.62 1iec h ALA 30 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1iec h ALA 30 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1iec h ALA 30 CO 0.69 -0.20 -0.03 1.05 0.00 0.00 0.00 179.25 180.76 1iec h GLU 31 N 0.05 0.00 -0.24 0.00 4.11 -1.98 -2.26 114.58 114.25 1iec h GLU 31 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1iec h GLU 31 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1iec h GLU 31 CO -0.01 0.03 0.00 1.28 0.07 0.00 0.00 179.01 180.38 1iec n LEU 32 N -3.31 1.82 -4.71 3.06 4.77 -0.68 -4.91 117.00 113.05 1iec n LEU 32 Ca -0.02 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 1iec n LEU 32 Cb 0.15 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1iec n LEU 32 CO 0.25 0.41 1.10 -0.76 -1.33 0.00 0.00 177.39 177.05 1iec s LEU 33 N -1.36 4.36 -0.42 2.23 1.43 -0.85 -4.85 118.68 119.21 1iec s LEU 33 Ca 0.30 2.33 0.04 0.00 -1.03 0.00 0.00 54.13 55.77 1iec s LEU 33 Cb 0.16 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.97 1iec s LEU 33 CO 0.23 -0.69 0.41 -0.22 0.23 0.00 0.00 176.35 176.31 1iec s LEU 34 N 1.37 0.68 0.97 1.79 2.96 -1.26 -5.14 118.68 120.06 1iec s LEU 34 Ca 0.65 -2.62 -0.11 0.00 -0.22 0.00 0.00 54.13 51.83 1iec s LEU 34 Cb -0.37 0.11 0.18 0.00 0.50 0.00 0.00 46.19 46.61 1iec s LEU 34 CO 0.30 -0.16 1.10 -2.84 -1.32 0.00 0.00 176.35 173.42 1iec s PRO 35 N 0.40 0.58 0.08 0.98 0.02 -1.26 -4.84 135.00 130.96 1iec s PRO 35 Ca 0.30 1.17 -0.21 0.00 0.02 0.00 0.00 61.00 62.28 1iec s PRO 35 Cb -0.00 -1.70 -0.11 0.00 0.02 0.00 0.00 34.50 32.70 1iec s PRO 35 CO -0.14 -2.81 1.64 -0.09 -0.33 0.00 0.00 177.00 175.27 1iec h ARG 36 N -1.98 0.19 -0.95 5.54 2.43 -1.99 -2.91 114.38 114.70 1iec h ARG 36 Ca -0.50 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1iec h ARG 36 Cb 1.29 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 1iec h ARG 36 CO 0.47 0.26 0.62 0.38 -1.51 0.00 0.00 179.97 180.20 1iec h ASP 37 N 0.07 1.02 -0.35 -3.80 2.03 -1.98 0.23 116.42 113.63 1iec h ASP 37 Ca 0.04 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.29 1iec h ASP 37 Cb 0.14 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 1iec h ASP 37 CO -0.00 0.69 0.05 -0.37 -1.03 0.00 0.00 179.24 178.57 1iec h VAL 38 N 1.17 1.24 0.03 4.15 -1.51 -1.94 0.10 116.25 119.50 1iec h VAL 38 Ca 0.39 -0.86 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1iec h VAL 38 Cb 0.06 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1iec h VAL 38 CO -0.13 0.29 -0.02 0.58 -1.23 0.00 0.00 177.57 177.07 1iec h VAL 39 N 0.42 1.03 -0.49 7.19 2.07 -1.17 -2.27 116.25 123.03 1iec h VAL 39 Ca 0.11 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1iec h VAL 39 Cb 0.37 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1iec h VAL 39 CO 0.01 0.05 0.23 -0.33 0.02 0.00 0.00 177.57 177.55 1iec h GLU 40 N -0.13 0.68 -0.41 1.57 5.08 -0.48 -1.95 114.58 118.93 1iec h GLU 40 Ca -0.00 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1iec h GLU 40 Cb 0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1iec h GLU 40 CO 0.01 0.54 -0.11 1.25 -1.00 0.00 0.00 179.01 179.70 1iec h HIS 41 N 0.69 0.80 0.00 4.33 2.76 -0.72 -3.00 115.15 120.00 1iec h HIS 41 Ca 0.17 -0.14 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 1iec h HIS 41 Cb 0.08 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1iec h HIS 41 CO 0.01 0.81 -0.47 -1.49 -1.30 0.00 0.00 177.93 175.48 1iec h TRP 42 N 0.67 0.00 -3.20 5.26 6.55 -0.91 -3.51 115.95 120.81 1iec h TRP 42 Ca 0.12 0.00 -0.58 0.00 0.95 0.00 0.00 58.89 59.38 1iec h TRP 42 Cb 0.57 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.81 1iec h TRP 42 CO 0.03 0.47 0.61 -0.51 -1.05 0.00 0.00 178.44 178.00 1iec s LEU 43 N -6.52 4.14 0.02 -4.49 1.02 -0.78 -5.11 118.68 106.97 1iec s LEU 43 Ca 0.04 1.30 0.04 0.00 0.02 0.00 0.00 54.13 55.53 1iec s LEU 43 Cb 0.08 -3.42 -0.03 0.00 0.02 0.00 0.00 46.19 42.84 1iec s LEU 43 CO 0.73 -0.55 -0.08 0.00 0.02 0.00 0.00 176.35 176.47 1iec s ALA 56 N 2.70 2.96 0.20 4.21 0.00 -1.26 -4.95 121.76 125.62 1iec s ALA 56 Ca 0.42 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 1iec s ALA 56 Cb -0.16 -1.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 1iec s ALA 56 CO 0.10 0.61 1.43 -0.51 0.00 0.00 0.00 175.76 177.39 1iec s LEU 57 N -1.51 4.39 0.62 0.00 1.43 -1.26 -4.83 118.68 117.51 1iec s LEU 57 Ca 0.17 2.55 -0.15 0.00 -1.03 0.00 0.00 54.13 55.67 1iec s LEU 57 Cb -0.11 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1iec s LEU 57 CO 0.08 -0.69 1.07 -2.16 0.23 0.00 0.00 176.35 174.89 1iec s PRO 58 N 0.23 3.14 -0.23 1.29 0.04 -1.26 -0.34 135.00 137.87 1iec s PRO 58 Ca 0.62 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.86 1iec s PRO 58 Cb -0.40 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1iec s PRO 58 CO 0.38 -0.96 -0.01 -1.17 0.04 0.00 0.00 177.00 175.28 1iec s LEU 59 N -4.65 3.09 0.45 -3.56 2.96 -0.47 -2.08 118.68 114.42 1iec s LEU 59 Ca 0.64 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1iec s LEU 59 Cb -0.17 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1iec s LEU 59 CO 0.39 -0.04 0.07 0.54 -1.32 0.00 0.00 176.35 175.99 1iec s ASN 60 N 1.50 3.38 -0.37 3.68 2.20 -0.58 -0.14 114.94 124.60 1iec s ASN 60 Ca 0.05 -1.66 -0.14 0.00 -0.94 0.00 0.00 52.86 50.18 1iec s ASN 60 Cb -0.15 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.58 1iec s ASN 60 CO -0.02 -0.88 0.29 -0.63 -2.94 0.00 0.00 177.10 172.92 1iec s ILE 61 N -3.06 5.25 -1.59 0.54 -1.09 -0.66 -0.20 121.20 120.39 1iec s ILE 61 Ca 0.17 -0.37 -0.13 0.00 -2.23 0.00 0.00 60.65 58.09 1iec s ILE 61 Cb 0.02 -3.83 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1iec s ILE 61 CO 0.10 -0.17 0.73 -3.20 -1.23 0.00 0.00 174.94 171.18 1iec n ASN 62 N 5.19 -2.81 -0.96 3.58 4.05 0.19 -2.10 115.26 122.40 1iec n ASN 62 Ca -0.11 -0.96 -0.12 0.00 0.45 0.00 0.00 54.58 53.83 1iec n ASN 62 Cb 0.48 -3.09 -0.05 0.00 1.23 0.00 0.00 39.78 38.35 1iec n ASN 62 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1iec n HIS 63 N -4.45 0.00 -3.25 1.20 8.25 -1.26 -4.97 115.22 110.73 1iec n HIS 63 Ca -0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.98 1iec n HIS 63 Cb 0.55 -2.40 -0.07 0.00 1.12 0.00 0.00 29.99 29.19 1iec n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1iec s ASP 64 N -2.73 6.19 0.00 0.41 3.68 -0.89 -4.93 116.67 118.40 1iec s ASP 64 Ca 0.00 -1.18 0.00 0.00 2.13 0.00 0.00 52.55 53.50 1iec s ASP 64 Cb 0.00 -2.25 0.00 0.00 -1.45 0.00 0.00 42.92 39.22 1iec s ASP 64 CO 0.00 -0.82 0.43 -0.90 0.13 0.00 0.00 175.17 174.01 1iec n ASP 65 N 5.76 0.06 -0.93 -0.34 3.85 -1.26 0.03 116.55 123.72 1iec n ASP 65 Ca -0.10 -0.92 0.08 0.00 -0.71 0.00 0.00 54.79 53.15 1iec n ASP 65 Cb 0.44 -0.03 0.21 0.00 -1.35 0.00 0.00 41.12 40.39 1iec n ASP 65 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1iec n THR 66 N -0.40 0.89 -2.47 2.12 -2.24 -1.26 -4.45 114.28 106.47 1iec n THR 66 Ca 0.00 -0.95 -0.14 0.00 -2.27 0.00 0.00 64.05 60.70 1iec n THR 66 Cb 0.01 0.59 0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1iec n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iec n ALA 67 N 1.02 3.92 -2.27 6.98 0.00 0.10 -1.30 120.51 128.96 1iec n ALA 67 Ca 0.17 -3.39 -0.42 0.00 0.00 0.00 0.00 53.44 49.80 1iec n ALA 67 Cb 0.50 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 1iec n ALA 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iec s VAL 68 N -4.24 3.68 -0.03 0.00 1.01 -1.25 -1.66 120.40 117.92 1iec s VAL 68 Ca 0.39 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.62 1iec s VAL 68 Cb 0.38 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1iec s VAL 68 CO -0.02 0.11 0.03 1.33 0.00 0.00 0.00 175.10 176.55 1iec n VAL 69 N 3.68 0.00 -1.66 2.92 0.24 0.80 -2.42 118.33 121.88 1iec n VAL 69 Ca 0.09 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1iec n VAL 69 Cb 0.45 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 1iec n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iec n GLY 70 N 1.13 1.03 3.26 7.63 0.00 -1.11 -0.70 105.19 116.43 1iec n GLY 70 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1iec n GLY 70 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1iec s HIS 71 N -0.69 -0.03 -0.04 1.61 -3.43 -0.84 -1.37 115.29 110.49 1iec s HIS 71 Ca 0.00 -0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 53.66 1iec s HIS 71 Cb 0.00 0.09 -0.03 0.00 -1.43 0.00 0.00 32.58 31.21 1iec s HIS 71 CO 0.00 -0.59 1.18 0.08 -2.00 0.00 0.00 174.74 173.41 1iec s VAL 72 N -3.58 4.28 -0.92 -5.38 1.01 0.54 -1.06 120.40 115.30 1iec s VAL 72 Ca 0.02 1.61 0.22 0.00 0.00 0.00 0.00 61.98 63.82 1iec s VAL 72 Cb 0.03 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.17 1iec s VAL 72 CO -0.10 0.02 0.94 0.00 0.00 0.00 0.00 175.10 175.95 1iec n ALA 73 N 5.02 4.44 -3.60 5.51 0.00 0.72 -4.46 120.51 128.14 1iec n ALA 73 Ca 0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1iec n ALA 73 Cb 0.46 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 1iec n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iec s ALA 74 N -3.04 -1.98 -0.07 0.00 0.00 -0.72 -2.63 121.76 113.32 1iec s ALA 74 Ca 0.07 1.68 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 1iec s ALA 74 Cb 0.16 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.32 1iec s ALA 74 CO 0.85 -0.28 0.16 -1.64 0.00 0.00 0.00 175.76 174.86 1iec s MET 75 N -0.81 0.12 -0.03 0.00 1.00 -1.26 -0.79 119.30 117.53 1iec s MET 75 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 55.69 56.08 1iec s MET 75 Cb -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 34.83 34.69 1iec s MET 75 CO -0.02 -0.15 0.01 -1.14 0.00 0.00 0.00 175.02 173.71 1iec s GLN 76 N 1.09 0.27 -0.24 2.03 2.00 0.14 -4.97 119.66 119.98 1iec s GLN 76 Ca -0.08 0.10 -0.21 0.00 -2.00 0.00 0.00 55.36 53.16 1iec s GLN 76 Cb -0.10 -0.49 -0.02 0.00 0.80 0.00 0.00 33.01 33.20 1iec s GLN 76 CO -0.06 -0.15 0.67 0.45 -0.50 0.00 0.00 175.29 175.69 1iec s SER 77 N 1.12 6.64 0.53 6.67 0.15 -1.26 -0.96 113.70 126.58 1iec s SER 77 Ca -0.08 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1iec s SER 77 Cb -0.13 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1iec s SER 77 CO -0.02 -0.38 0.02 1.33 1.20 0.00 0.00 173.24 175.39 1iec n VAL 78 N 5.13 0.00 -0.24 4.45 0.24 0.74 -4.99 118.33 123.66 1iec n VAL 78 Ca 0.00 -2.46 -0.07 0.00 -2.04 0.00 0.00 64.34 59.77 1iec n VAL 78 Cb 0.49 0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 33.31 1iec n VAL 78 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1iec h ARG 79 N 0.00 -0.16 -0.00 7.34 2.43 -1.96 -2.49 114.38 119.54 1iec h ARG 79 Ca -0.43 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1iec h ARG 79 Cb 1.32 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1iec h ARG 79 CO 0.71 -0.11 -0.20 -0.25 -1.51 0.00 0.00 179.97 178.62 1iec n ASP 80 N -5.41 0.46 0.00 -3.80 8.00 -1.26 -4.90 116.55 109.63 1iec n ASP 80 Ca 0.04 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1iec n ASP 80 Cb 0.35 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1iec n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iec n GLY 81 N 1.38 -0.60 3.45 0.44 0.00 -0.94 -2.14 105.19 106.78 1iec n GLY 81 Ca 0.11 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1iec n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iec s LEU 82 N 0.00 5.09 -0.05 0.99 2.96 -0.67 -0.19 118.68 126.82 1iec s LEU 82 Ca 0.00 -0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 52.96 1iec s LEU 82 Cb 0.00 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1iec s LEU 82 CO 0.00 -0.45 0.15 0.12 -1.32 0.00 0.00 176.35 174.86 1iec s PHE 83 N 1.67 3.53 0.05 5.38 2.19 -0.14 -0.06 117.98 130.61 1iec s PHE 83 Ca 0.05 0.40 -0.01 0.00 0.33 0.00 0.00 56.93 57.69 1iec s PHE 83 Cb -0.19 -1.86 -0.04 0.00 -1.31 0.00 0.00 43.02 39.63 1iec s PHE 83 CO 0.10 0.66 -0.02 0.00 1.83 0.00 0.00 175.22 177.79 1iec s LEU 85 N -2.77 1.40 0.34 0.00 1.98 0.03 -1.91 118.68 117.75 1iec s LEU 85 Ca 0.05 -0.20 0.08 0.00 -2.89 0.00 0.00 54.13 51.16 1iec s LEU 85 Cb 0.06 -0.61 -0.07 0.00 0.66 0.00 0.00 46.19 46.24 1iec s LEU 85 CO -0.09 -0.03 -0.05 -0.83 -1.89 0.00 0.00 176.35 173.46 1iec s GLY 86 N 0.92 2.17 -0.10 7.98 0.00 0.22 -0.20 107.32 118.31 1iec s GLY 86 Ca -0.11 -2.10 -0.00 0.00 0.00 0.00 0.00 44.72 42.52 1iec s GLY 86 CO 0.01 -1.98 -0.07 0.00 0.00 0.00 0.00 173.10 171.05 1iec s VAL 88 N 1.62 4.83 -0.01 0.00 1.01 0.92 -1.98 120.40 126.78 1iec s VAL 88 Ca 0.03 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1iec s VAL 88 Cb -0.13 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1iec s VAL 88 CO -0.07 -0.40 0.03 0.35 0.00 0.00 0.00 175.10 175.02 1iec n THR 89 N 5.70 0.00 -1.58 3.92 -2.24 0.12 -2.21 114.28 117.98 1iec n THR 89 Ca 0.00 -0.14 -0.47 0.00 -2.27 0.00 0.00 64.05 61.18 1iec n THR 89 Cb 0.48 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 1iec n THR 89 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1iec n SER 90 N -1.41 3.06 -0.31 3.42 2.88 -0.12 -4.87 113.62 116.27 1iec n SER 90 Ca -0.00 0.53 -0.05 0.00 -1.33 0.00 0.00 58.87 58.02 1iec n SER 90 Cb 0.03 -1.42 0.08 0.00 -0.75 0.00 0.00 64.21 62.14 1iec n SER 90 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1iec h PRO 91 N 12.35 1.19 -0.22 -1.46 0.11 -1.92 0.31 132.00 142.37 1iec h PRO 91 Ca -0.40 -0.16 0.02 0.00 0.11 0.00 0.00 66.00 65.57 1iec h PRO 91 Cb 1.27 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1iec h PRO 91 CO 0.97 0.90 0.10 -0.09 -0.21 0.00 0.00 178.00 179.66 1iec h ARG 92 N 1.18 0.21 -0.17 1.05 9.65 -1.95 0.29 114.38 124.65 1iec h ARG 92 Ca 0.29 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 1iec h ARG 92 Cb 0.08 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1iec h ARG 92 CO -0.04 0.14 0.05 0.35 2.80 0.00 0.00 179.97 183.26 1iec h PHE 93 N 0.21 0.27 -0.69 2.20 3.57 -1.86 -2.06 116.94 118.59 1iec h PHE 93 Ca 0.09 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1iec h PHE 93 Cb 0.03 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1iec h PHE 93 CO -0.10 0.39 0.37 -0.07 -2.23 0.00 0.00 178.31 176.66 1iec h LEU 94 N 0.08 0.86 -0.38 0.59 -0.00 -0.76 -0.91 115.31 114.80 1iec h LEU 94 Ca 0.05 -0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 57.80 1iec h LEU 94 Cb 0.25 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1iec h LEU 94 CO -0.00 0.70 -0.01 -0.08 -0.00 0.00 0.00 178.44 179.05 1iec h GLU 95 N 0.97 0.68 -0.34 1.13 4.57 -0.81 0.14 114.58 120.92 1iec h GLU 95 Ca 0.24 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1iec h GLU 95 Cb 0.04 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1iec h GLU 95 CO -0.04 0.79 0.21 0.82 -1.18 0.00 0.00 179.01 179.61 1iec h ILE 96 N 0.50 1.06 -0.79 2.32 2.04 -0.98 -1.38 117.51 120.28 1iec h ILE 96 Ca 0.11 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1iec h ILE 96 Cb 0.49 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1iec h ILE 96 CO 0.02 0.08 0.49 0.58 0.00 0.00 0.00 178.15 179.32 1iec h VAL 97 N 0.43 1.21 0.21 1.67 2.07 -1.00 -1.23 116.25 119.62 1iec h VAL 97 Ca 0.13 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1iec h VAL 97 Cb -0.02 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1iec h VAL 97 CO -0.05 0.22 -0.22 -0.09 0.02 0.00 0.00 177.57 177.45 1iec h ARG 98 N 1.07 -0.45 -0.62 1.57 2.43 -0.17 0.11 114.38 118.32 1iec h ARG 98 Ca 0.28 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.53 1iec h ARG 98 Cb -0.07 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1iec h ARG 98 CO -0.06 -0.30 0.35 0.00 -1.51 0.00 0.00 179.97 178.45 1iec h ARG 99 N -0.47 0.64 -0.48 0.20 3.08 -0.98 -2.55 114.38 113.81 1iec h ARG 99 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1iec h ARG 99 Cb 0.44 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1iec h ARG 99 CO -0.06 0.42 0.19 0.00 -1.07 0.00 0.00 179.97 179.46 1iec h ALA 100 N 1.31 0.63 -0.52 0.04 0.00 -0.93 -2.92 119.26 116.87 1iec h ALA 100 Ca 0.27 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1iec h ALA 100 Cb 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1iec h ALA 100 CO -0.16 0.23 0.36 0.66 0.00 0.00 0.00 179.25 180.35 1iec h SER 101 N 0.64 0.12 0.87 0.00 4.64 -0.36 0.16 113.55 119.62 1iec h SER 101 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1iec h SER 101 Cb 0.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1iec h SER 101 CO -0.01 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.39 1iec n GLU 102 N -4.42 0.17 -0.68 4.77 1.02 -1.10 -2.59 120.64 117.81 1iec n GLU 102 Ca 0.09 0.33 -0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1iec n GLU 102 Cb 0.50 -1.79 0.21 0.00 -0.02 0.00 0.00 31.44 30.34 1iec n GLU 102 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1iec n LYS 103 N -2.11 2.00 -4.14 3.49 4.76 0.56 -4.95 118.16 117.77 1iec n LYS 103 Ca 0.03 -3.09 -0.34 0.00 -2.87 0.00 0.00 58.31 52.04 1iec n LYS 103 Cb 0.27 -1.79 -0.14 0.00 -1.84 0.00 0.00 35.03 31.53 1iec n LYS 103 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1iec s SER 104 N -2.49 4.22 0.15 4.39 0.15 -1.07 -4.98 113.70 114.07 1iec s SER 104 Ca 0.43 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.60 1iec s SER 104 Cb 0.38 -1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 62.96 1iec s SER 104 CO 0.01 0.04 1.50 -0.08 1.20 0.00 0.00 173.24 175.91 1iec h GLU 105 N 7.69 0.95 -0.24 5.44 4.81 -1.92 -1.57 114.58 129.73 1iec h GLU 105 Ca -0.38 -0.46 0.02 0.00 -0.13 0.00 0.00 59.36 58.42 1iec h GLU 105 Cb 1.17 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1iec h GLU 105 CO 0.60 1.12 0.08 1.25 -0.73 0.00 0.00 179.01 181.33 1iec h LEU 106 N 0.78 0.10 -0.48 1.64 5.85 -1.96 -2.22 115.31 119.02 1iec h LEU 106 Ca 0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1iec h LEU 106 Cb 0.89 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1iec h LEU 106 CO 0.08 0.09 0.31 0.58 -0.34 0.00 0.00 178.44 179.16 1iec h VAL 107 N 0.20 1.13 -0.52 1.05 2.07 -1.84 -2.29 116.25 116.04 1iec h VAL 107 Ca 0.10 -0.24 0.14 0.00 0.82 0.00 0.00 66.70 67.52 1iec h VAL 107 Cb 0.07 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1iec h VAL 107 CO -0.10 0.12 0.37 0.28 0.02 0.00 0.00 177.57 178.26 1iec h SER 108 N 0.65 0.08 0.27 0.57 0.02 -0.78 0.14 113.55 114.50 1iec h SER 108 Ca 0.17 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1iec h SER 108 Cb -0.06 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1iec h SER 108 CO -0.04 0.04 -0.13 0.03 -1.14 0.00 0.00 176.83 175.59 1iec h ARG 109 N 0.09 0.00 -0.14 3.45 3.08 -0.83 -3.49 114.38 116.54 1iec h ARG 109 Ca 0.25 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.32 1iec h ARG 109 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1iec h ARG 109 CO -0.02 0.13 -0.03 0.41 -1.07 0.00 0.00 179.97 179.39 1iec n GLY 110 N -0.85 -1.45 0.00 0.04 0.00 0.50 -4.99 105.19 98.43 1iec n GLY 110 Ca -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1iec n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iec n PRO 111 N -1.48 0.34 -3.01 1.61 -0.04 -1.26 -4.98 135.00 126.18 1iec n PRO 111 Ca -0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1iec n PRO 111 Cb 0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.44 1iec n PRO 111 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1iec s VAL 112 N -0.37 4.89 0.00 0.52 1.01 -1.26 -4.96 120.40 120.22 1iec s VAL 112 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1iec s VAL 112 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1iec s VAL 112 CO 0.00 0.31 0.00 -0.24 0.00 0.00 0.00 175.10 175.17 1iec n SER 113 N 3.27 0.00 0.04 3.32 2.88 -1.26 -2.71 113.62 119.16 1iec n SER 113 Ca -0.02 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.49 1iec n SER 113 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 1iec n SER 113 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1iec h PRO 114 N 0.00 -0.17 -6.46 -1.46 0.13 -1.93 -3.44 132.00 118.67 1iec h PRO 114 Ca 0.00 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.55 1iec h PRO 114 Cb 0.00 0.04 0.15 0.00 0.13 0.00 0.00 31.00 31.32 1iec h PRO 114 CO 0.00 -0.11 -0.26 1.28 -0.23 0.00 0.00 178.00 178.68 1iec n LEU 115 N -2.97 0.88 -4.87 1.56 4.77 -1.10 -4.97 117.00 110.29 1iec n LEU 115 Ca -0.02 0.89 -0.33 0.00 -0.03 0.00 0.00 56.01 56.52 1iec n LEU 115 Cb 0.09 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 39.93 1iec n LEU 115 CO 0.04 -2.58 0.20 0.00 -1.33 0.00 0.00 177.39 173.72 1iec s GLN 116 N -1.84 3.84 0.52 3.23 -2.07 -1.26 -4.75 119.66 117.34 1iec s GLN 116 Ca 0.65 0.31 -0.22 0.00 -1.82 0.00 0.00 55.36 54.28 1iec s GLN 116 Cb -0.55 -2.78 -0.07 0.00 -1.09 0.00 0.00 33.01 28.53 1iec s GLN 116 CO 0.56 0.40 1.16 -2.30 -1.32 0.00 0.00 175.29 173.80 1iec n PRO 117 N 0.26 1.42 -3.17 9.60 -0.02 -1.26 -4.89 135.00 136.95 1iec n PRO 117 Ca -0.02 0.52 -0.06 0.00 -2.02 0.00 0.00 63.50 61.92 1iec n PRO 117 Cb 0.52 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1iec n PRO 117 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1iec s ASP 118 N -0.93 -0.71 0.24 2.55 -1.08 -1.26 -5.06 116.67 110.43 1iec s ASP 118 Ca 0.70 -1.27 -0.07 0.00 -0.52 0.00 0.00 52.55 51.39 1iec s ASP 118 Cb -0.45 1.49 0.44 0.00 -1.46 0.00 0.00 42.92 42.93 1iec s ASP 118 CO 0.51 -0.17 1.64 0.11 0.52 0.00 0.00 175.17 177.78 1iec h LYS 119 N 6.57 0.11 -0.14 4.34 1.57 -1.94 0.12 116.57 127.20 1iec h LYS 119 Ca 0.06 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1iec h LYS 119 Cb 1.12 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1iec h LYS 119 CO 0.12 0.07 0.00 0.28 -0.57 0.00 0.00 179.45 179.35 1iec h VAL 120 N 0.11 1.25 -0.64 0.50 2.07 -1.92 -0.15 116.25 117.47 1iec h VAL 120 Ca 0.41 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1iec h VAL 120 Cb 0.72 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1iec h VAL 120 CO -0.66 0.24 0.20 0.58 0.02 0.00 0.00 177.57 177.95 1iec h VAL 121 N -0.00 1.24 -0.22 2.57 2.07 -1.81 -1.78 116.25 118.31 1iec h VAL 121 Ca 0.04 -0.83 -0.15 0.00 0.82 0.00 0.00 66.70 66.58 1iec h VAL 121 Cb 0.36 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1iec h VAL 121 CO 0.01 0.32 -0.49 -0.33 0.02 0.00 0.00 177.57 177.10 1iec h GLU 122 N 0.94 0.60 -0.37 1.57 5.08 -0.65 -0.18 114.58 121.57 1iec h GLU 122 Ca 0.21 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1iec h GLU 122 Cb 0.27 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1iec h GLU 122 CO -0.01 0.95 0.02 0.35 -1.00 0.00 0.00 179.01 179.32 1iec h PHE 123 N 0.47 0.69 -0.82 4.33 3.57 -0.77 -0.96 116.94 123.45 1iec h PHE 123 Ca 0.02 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1iec h PHE 123 Cb 1.02 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1iec h PHE 123 CO 0.04 0.72 0.40 -0.07 -2.23 0.00 0.00 178.31 177.18 1iec h LEU 124 N 0.46 1.06 -0.79 0.59 3.38 -1.22 0.59 115.31 119.38 1iec h LEU 124 Ca 0.11 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1iec h LEU 124 Cb 0.43 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1iec h LEU 124 CO 0.02 0.89 0.05 0.28 0.09 0.00 0.00 178.44 179.76 1iec h SER 125 N 1.16 0.93 -0.04 -0.43 0.02 -0.76 -1.31 113.55 113.13 1iec h SER 125 Ca 0.28 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1iec h SER 125 Cb 0.10 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.40 1iec h SER 125 CO -0.04 0.96 -0.32 1.23 -1.14 0.00 0.00 176.83 177.52 1iec h GLY 126 N 1.01 0.31 0.89 -3.77 0.00 -0.76 -3.31 103.07 97.43 1iec h GLY 126 Ca 0.18 -0.47 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 1iec h GLY 126 CO 0.02 0.42 -0.71 1.76 0.00 0.00 0.00 176.54 178.03 1iec h SER 127 N -0.28 0.62 -2.38 0.19 0.02 -0.89 -3.39 113.55 107.44 1iec h SER 127 Ca -0.03 -0.75 -0.60 0.00 -0.84 0.00 0.00 61.79 59.56 1iec h SER 127 Cb 1.01 -0.19 -0.42 0.00 0.14 0.00 0.00 62.40 62.94 1iec h SER 127 CO 0.06 1.30 -0.59 -1.22 -1.14 0.00 0.00 176.83 175.24 1iec n TYR 128 N -4.13 3.51 1.39 3.45 4.02 -0.50 -3.85 117.16 121.05 1iec n TYR 128 Ca -0.10 -4.18 0.13 0.00 -0.01 0.00 0.00 57.90 53.74 1iec n TYR 128 Cb 0.72 -0.57 0.71 0.00 -0.02 0.00 0.00 39.34 40.19 1iec n TYR 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iec n ALA 129 N 1.09 2.39 -2.38 -0.72 0.00 -0.91 -4.58 120.51 115.40 1iec n ALA 129 Ca 0.28 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 1iec n ALA 129 Cb 0.40 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 1iec n ALA 129 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1iec s GLY 130 N -2.42 1.81 0.00 0.00 0.00 -0.31 0.02 107.32 106.42 1iec s GLY 130 Ca 0.30 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1iec s GLY 130 CO 0.39 -1.73 0.00 1.04 0.00 0.00 0.00 173.10 172.80 1iec n LEU 131 N -0.55 0.00 -3.45 0.66 7.99 -0.28 -1.80 117.00 119.57 1iec n LEU 131 Ca -0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.88 1iec n LEU 131 Cb 0.65 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.88 1iec n LEU 131 CO 0.39 -0.02 -0.03 -0.22 -1.51 0.00 0.00 177.39 176.01 1iec s LEU 133 N 0.00 -0.65 -0.25 2.23 2.96 -1.26 -4.27 118.68 117.44 1iec s LEU 133 Ca 0.00 0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 54.23 1iec s LEU 133 Cb 0.00 1.21 -0.03 0.00 0.50 0.00 0.00 46.19 47.87 1iec s LEU 133 CO 0.00 -0.28 0.48 -0.94 -1.32 0.00 0.00 176.35 174.29 1iec s SER 134 N 2.57 6.42 -0.58 3.68 1.04 -0.10 -5.00 113.70 121.73 1iec s SER 134 Ca 0.08 0.50 -0.03 0.00 0.48 0.00 0.00 55.95 56.98 1iec s SER 134 Cb -0.14 -2.27 0.15 0.00 0.10 0.00 0.00 66.02 63.86 1iec s SER 134 CO -0.15 -0.24 0.39 -0.44 0.98 0.00 0.00 173.24 173.78 1iec s SER 135 N 1.48 5.22 0.05 7.02 0.01 -1.26 -1.03 113.70 125.19 1iec s SER 135 Ca 0.20 -2.70 0.24 0.00 1.31 0.00 0.00 55.95 55.00 1iec s SER 135 Cb -0.16 -1.85 0.31 0.00 0.21 0.00 0.00 66.02 64.54 1iec s SER 135 CO 0.09 -0.40 1.27 -1.14 0.41 0.00 0.00 173.24 173.47 1iec n ARG 136 N 3.69 0.16 -1.89 12.44 3.00 -1.26 -4.95 116.66 127.85 1iec n ARG 136 Ca 0.06 0.03 -0.42 0.00 -0.00 0.00 0.00 57.85 57.51 1iec n ARG 136 Cb 0.38 -1.58 -0.03 0.00 0.00 0.00 0.00 32.46 31.23 1iec n ARG 136 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1iec s PHE 155 N -3.10 2.29 -0.23 -0.14 0.08 -1.26 -5.15 117.98 110.46 1iec s PHE 155 Ca 0.08 0.22 -0.03 0.00 0.12 0.00 0.00 56.93 57.32 1iec s PHE 155 Cb 0.15 -4.00 -0.13 0.00 -0.57 0.00 0.00 43.02 38.47 1iec s PHE 155 CO 0.74 -4.09 -0.24 1.63 -0.10 0.00 0.00 175.22 173.17 1iec n LYS 156 N 5.83 0.54 -3.54 0.44 4.76 -0.20 -5.03 118.16 120.96 1iec n LYS 156 Ca 0.16 0.16 -0.08 0.00 -2.87 0.00 0.00 58.31 55.68 1iec n LYS 156 Cb 0.40 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1iec n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iec s ALA 157 N -2.44 -1.89 -0.22 7.82 0.00 -1.13 -4.33 121.76 119.56 1iec s ALA 157 Ca -0.31 1.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 1iec s ALA 157 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1iec s ALA 157 CO 0.48 -0.56 0.02 0.08 0.00 0.00 0.00 175.76 175.77 1iec s VAL 158 N -2.43 3.97 -0.10 0.00 1.01 -0.88 -0.92 120.40 121.04 1iec s VAL 158 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1iec s VAL 158 Cb -0.01 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1iec s VAL 158 CO -0.05 0.40 0.03 0.00 0.00 0.00 0.00 175.10 175.47 1iec s ALA 159 N 1.30 3.38 -0.13 5.51 0.00 -1.26 -1.52 121.76 129.03 1iec s ALA 159 Ca 0.04 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 51.01 1iec s ALA 159 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1iec s ALA 159 CO 0.01 0.55 0.62 -0.51 0.00 0.00 0.00 175.76 176.43 1iec s LEU 160 N -0.76 4.24 0.23 0.00 1.43 0.72 -4.38 118.68 120.16 1iec s LEU 160 Ca 0.12 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1iec s LEU 160 Cb -0.12 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1iec s LEU 160 CO 0.02 -0.15 0.16 0.00 0.23 0.00 0.00 176.35 176.61 1iec h SER 162 N 2.52 0.45 -3.48 0.00 4.64 -1.85 -0.69 113.55 115.14 1iec h SER 162 Ca -0.34 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1iec h SER 162 Cb 1.25 -0.12 -0.24 0.00 -0.31 0.00 0.00 62.40 62.98 1iec h SER 162 CO 0.50 0.52 0.31 0.68 -0.87 0.00 0.00 176.83 177.96 1iec s VAL 163 N -4.99 0.00 0.56 0.95 -7.23 -1.26 -3.59 120.40 104.84 1iec s VAL 163 Ca -0.07 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.95 1iec s VAL 163 Cb 0.16 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 36.04 1iec s VAL 163 CO 0.76 0.00 1.01 -0.83 -0.31 0.00 0.00 175.10 175.73 1iec s GLY 164 N 0.39 1.90 0.27 2.32 0.00 -1.26 -4.86 107.32 106.08 1iec s GLY 164 Ca 0.01 0.09 0.25 0.00 0.00 0.00 0.00 44.72 45.07 1iec s GLY 164 CO -0.04 0.36 1.69 3.21 0.00 0.00 0.00 173.10 178.32 1iec h ARG 165 N 0.37 0.00 -5.71 2.90 3.08 -1.99 -3.43 114.38 109.60 1iec h ARG 165 Ca -0.46 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 58.93 1iec h ARG 165 Cb 1.19 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.14 1iec h ARG 165 CO 0.61 0.00 -0.53 1.03 -1.07 0.00 0.00 179.97 180.01 1iec s ARG 166 N -3.14 3.35 0.47 0.04 0.52 -1.26 -4.91 118.95 114.02 1iec s ARG 166 Ca 0.09 -0.23 -0.20 0.00 -0.52 0.00 0.00 55.73 54.87 1iec s ARG 166 Cb 0.10 -3.07 -0.09 0.00 0.52 0.00 0.00 34.95 32.40 1iec s ARG 166 CO 0.63 0.71 0.99 1.03 0.02 0.00 0.00 175.30 178.68 1iec s ARG 167 N -0.87 4.01 0.00 3.54 1.81 -1.26 -3.78 118.95 122.40 1iec s ARG 167 Ca 0.14 1.18 0.00 0.00 -1.72 0.00 0.00 55.73 55.32 1iec s ARG 167 Cb -0.12 -2.14 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 1iec s ARG 167 CO 0.03 -0.23 0.00 0.41 -0.68 0.00 0.00 175.30 174.83 1iec n GLY 168 N -0.67 0.62 2.22 -3.53 0.00 -1.26 -4.29 105.19 98.28 1iec n GLY 168 Ca 0.08 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1iec n GLY 168 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iec n THR 169 N -2.71 3.29 -1.69 2.61 -2.24 -1.25 -4.26 114.28 108.04 1iec n THR 169 Ca 0.00 -2.24 -0.43 0.00 -2.27 0.00 0.00 64.05 59.11 1iec n THR 169 Cb 0.00 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.44 1iec n THR 169 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iec n LEU 170 N -0.95 3.39 -4.62 3.22 7.94 -1.26 -1.13 117.00 123.59 1iec n LEU 170 Ca 0.58 1.20 -0.36 0.00 -1.11 0.00 0.00 56.01 56.33 1iec n LEU 170 Cb 1.21 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 43.59 1iec n LEU 170 CO 0.66 -0.58 -0.21 0.00 -1.11 0.00 0.00 177.39 176.15 1iec s ALA 171 N -1.09 3.48 -0.20 1.96 0.00 0.10 -4.28 121.76 121.73 1iec s ALA 171 Ca 0.56 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1iec s ALA 171 Cb -0.58 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 1iec s ALA 171 CO 0.62 -0.10 -0.08 0.08 0.00 0.00 0.00 175.76 176.28 1iec s VAL 172 N 0.89 3.16 0.05 0.00 1.01 -0.09 -4.80 120.40 120.63 1iec s VAL 172 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1iec s VAL 172 Cb -0.13 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1iec s VAL 172 CO 0.03 0.46 0.10 -0.31 0.00 0.00 0.00 175.10 175.37 1iec s TYR 173 N 1.26 3.26 0.05 5.22 2.02 -1.26 -0.48 117.35 127.41 1iec s TYR 173 Ca 0.03 0.13 -0.28 0.00 -0.37 0.00 0.00 57.07 56.58 1iec s TYR 173 Cb -0.14 -1.67 0.09 0.00 -0.40 0.00 0.00 41.96 39.84 1iec s TYR 173 CO -0.03 0.54 1.10 0.20 -1.57 0.00 0.00 175.55 175.78 1iec s GLY 174 N -2.22 -0.33 0.24 0.71 0.00 -0.23 -4.68 107.32 100.82 1iec s GLY 174 Ca 0.28 0.54 0.20 0.00 0.00 0.00 0.00 44.72 45.75 1iec s GLY 174 CO 0.20 0.12 1.21 3.21 0.00 0.00 0.00 173.10 177.84 1iec h ARG 175 N 2.00 0.00 -5.25 2.90 2.47 -1.87 0.51 114.38 115.14 1iec h ARG 175 Ca -0.25 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.79 1iec h ARG 175 Cb 1.22 0.00 -0.34 0.00 -1.65 0.00 0.00 29.97 29.20 1iec h ARG 175 CO 0.27 0.15 -0.87 0.34 0.56 0.00 0.00 179.97 180.42 1iec s ASP 176 N -5.86 3.10 0.44 7.04 3.68 -1.26 -4.71 116.67 119.11 1iec s ASP 176 Ca 0.02 -0.59 0.14 0.00 2.13 0.00 0.00 52.55 54.25 1iec s ASP 176 Cb 0.08 -1.43 0.99 0.00 -1.45 0.00 0.00 42.92 41.11 1iec s ASP 176 CO 0.76 0.11 1.98 1.55 0.13 0.00 0.00 175.17 179.70 1iec h PRO 177 N 7.08 0.00 -0.11 4.34 0.13 -1.95 -2.17 132.00 139.32 1iec h PRO 177 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1iec h PRO 177 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1iec h PRO 177 CO 0.52 0.19 -0.02 0.93 -0.23 0.00 0.00 178.00 179.40 1iec h GLU 178 N 0.00 0.21 -0.72 0.86 4.39 -1.99 -1.27 114.58 116.06 1iec h GLU 178 Ca -0.00 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.67 1iec h GLU 178 Cb 0.35 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1iec h GLU 178 CO 0.03 0.50 0.44 2.35 -1.16 0.00 0.00 179.01 181.16 1iec h TRP 179 N -0.10 0.81 -0.43 4.33 7.01 -1.92 0.51 115.95 126.16 1iec h TRP 179 Ca 0.03 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 1iec h TRP 179 Cb 0.42 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1iec h TRP 179 CO 0.05 0.43 0.11 -0.24 -2.79 0.00 0.00 178.44 176.00 1iec h VAL 180 N 0.83 1.23 -0.04 2.65 3.04 -1.28 -2.39 116.25 120.29 1iec h VAL 180 Ca 0.31 -0.79 -0.05 0.00 -1.01 0.00 0.00 66.70 65.16 1iec h VAL 180 Cb 0.10 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1iec h VAL 180 CO -0.15 0.28 -0.21 0.74 -1.01 0.00 0.00 177.57 177.22 1iec h THR 181 N 0.55 1.17 0.00 3.17 2.02 -0.69 -1.97 112.91 117.17 1iec h THR 181 Ca 0.13 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1iec h THR 181 Cb 0.31 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1iec h THR 181 CO 0.00 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.13 1iec n GLN 182 N -4.26 0.09 0.16 6.66 1.13 0.12 -2.74 117.38 118.55 1iec n GLN 182 Ca -0.02 0.14 0.13 0.00 -1.94 0.00 0.00 57.00 55.31 1iec n GLN 182 Cb 0.29 -1.50 0.45 0.00 0.11 0.00 0.00 30.24 29.59 1iec n GLN 182 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1iec h ARG 183 N 0.00 0.00 -4.65 -1.09 -0.00 -1.11 -3.42 114.38 104.11 1iec h ARG 183 Ca 0.00 0.00 -0.70 0.00 -0.50 0.00 0.00 59.98 58.78 1iec h ARG 183 Cb 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 29.97 30.02 1iec h ARG 183 CO 0.00 0.00 -0.54 -0.06 0.00 0.00 0.00 179.97 179.37 1iec s PHE 184 N -3.29 3.22 0.44 3.04 0.40 -1.11 -4.60 117.98 116.09 1iec s PHE 184 Ca 0.06 -0.94 0.12 0.00 -0.60 0.00 0.00 56.93 55.56 1iec s PHE 184 Cb 0.10 -2.39 0.97 0.00 0.51 0.00 0.00 43.02 42.21 1iec s PHE 184 CO 0.53 -0.61 2.03 -1.35 0.70 0.00 0.00 175.22 176.51 1iec h PRO 185 N 8.38 0.20 0.00 0.24 0.11 -1.83 -2.97 132.00 136.13 1iec h PRO 185 Ca -0.27 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1iec h PRO 185 Cb 1.11 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1iec h PRO 185 CO 0.64 0.23 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.10 1iec h ASP 186 N 0.20 0.00 -3.61 -2.05 3.32 -1.94 -3.43 116.42 108.90 1iec h ASP 186 Ca 0.05 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.59 1iec h ASP 186 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1iec h ASP 186 CO 0.00 0.13 0.39 -0.76 -1.72 0.00 0.00 179.24 177.28 1iec s LEU 187 N -7.26 4.53 0.67 1.55 1.43 -1.12 -4.94 118.68 113.53 1iec s LEU 187 Ca -0.03 1.91 -0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1iec s LEU 187 Cb 0.13 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.85 1iec s LEU 187 CO 0.59 -0.05 0.93 0.42 0.23 0.00 0.00 176.35 178.47 1iec s THR 188 N -0.35 2.28 0.24 5.49 -4.23 -1.26 -4.93 115.64 112.88 1iec s THR 188 Ca 0.46 -0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 60.32 1iec s THR 188 Cb -0.26 -2.67 0.09 0.00 1.34 0.00 0.00 72.50 71.01 1iec s THR 188 CO 0.32 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 176.11 1iec h ALA 189 N -0.34 1.02 -0.27 3.99 0.00 -1.99 -1.43 119.26 120.23 1iec h ALA 189 Ca -0.38 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1iec h ALA 189 Cb 1.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1iec h ALA 189 CO 0.44 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 180.02 1iec h ALA 190 N 1.19 1.05 -0.20 0.00 0.00 -2.00 -1.10 119.26 118.20 1iec h ALA 190 Ca 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1iec h ALA 190 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iec h ALA 190 CO 0.03 0.58 0.09 -0.44 0.00 0.00 0.00 179.25 179.51 1iec h ASP 191 N 0.46 0.27 -0.19 0.00 3.45 -1.73 -2.79 116.42 115.89 1iec h ASP 191 Ca 0.06 -0.14 -0.10 0.00 0.43 0.00 0.00 57.03 57.28 1iec h ASP 191 Cb 0.70 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1iec h ASP 191 CO 0.05 0.33 -0.22 0.03 -1.57 0.00 0.00 179.24 177.86 1iec h ARG 192 N 0.19 0.64 -0.55 3.56 3.08 -1.04 -2.69 114.38 117.56 1iec h ARG 192 Ca 0.07 -0.24 0.04 0.00 0.07 0.00 0.00 59.98 59.92 1iec h ARG 192 Cb 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1iec h ARG 192 CO -0.01 0.81 0.30 -0.44 -1.07 0.00 0.00 179.97 179.56 1iec h ASP 193 N 0.56 0.46 -0.67 7.04 3.32 -1.09 0.51 116.42 126.54 1iec h ASP 193 Ca 0.08 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1iec h ASP 193 Cb 0.68 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1iec h ASP 193 CO 0.05 0.31 0.34 1.23 -1.72 0.00 0.00 179.24 179.46 1iec h GLY 194 N 0.59 1.05 0.92 2.75 0.00 -1.28 -1.51 103.07 105.58 1iec h GLY 194 Ca 0.24 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1iec h GLY 194 CO -0.14 0.47 -0.58 1.41 0.00 0.00 0.00 176.54 177.70 1iec h LEU 195 N 0.98 0.67 -0.91 3.11 3.38 -1.03 -3.21 115.31 118.30 1iec h LEU 195 Ca 0.24 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1iec h LEU 195 Cb 0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1iec h LEU 195 CO -0.03 1.22 0.58 -0.09 0.09 0.00 0.00 178.44 180.21 1iec h ARG 196 N 0.16 1.07 -0.72 1.13 2.43 0.21 -0.75 114.38 117.90 1iec h ARG 196 Ca -0.05 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.16 1iec h ARG 196 Cb 1.23 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1iec h ARG 196 CO 0.12 0.70 0.48 0.00 -1.51 0.00 0.00 179.97 179.76 1iec h ALA 197 N 1.40 1.85 0.18 2.80 0.00 -1.29 0.20 119.26 124.39 1iec h ALA 197 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1iec h ALA 197 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1iec h ALA 197 CO -0.14 0.00 -0.09 1.96 0.00 0.00 0.00 179.25 180.98 1iec h GLN 198 N 0.62 -0.23 0.00 0.00 4.20 -1.17 -3.34 115.11 115.20 1iec h GLN 198 Ca 0.33 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1iec h GLN 198 Cb 0.47 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1iec h GLN 198 CO -0.12 -0.15 0.00 0.11 -0.67 0.00 0.00 178.83 178.00 1iec h TRP 199 N -1.01 0.00 -1.95 2.96 5.08 -1.14 -3.46 115.95 116.43 1iec h TRP 199 Ca -0.02 0.00 -0.77 0.00 1.08 0.00 0.00 58.89 59.18 1iec h TRP 199 Cb 0.18 0.00 -0.19 0.00 -3.00 0.00 0.00 29.16 26.15 1iec h TRP 199 CO 0.00 0.00 1.57 0.94 -1.28 0.00 0.00 178.44 179.67 1iec n GLN 200 N -2.57 3.74 -0.48 0.12 7.27 0.05 -5.07 117.38 120.45 1iec n GLN 200 Ca 0.01 -3.84 0.00 0.00 0.07 0.00 0.00 57.00 53.24 1iec n GLN 200 Cb 0.24 -2.84 0.00 0.00 2.41 0.00 0.00 30.24 30.05 1iec n GLN 200 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iec n GLY 211 N 2.74 0.00 3.63 1.69 0.00 -1.26 -4.80 105.19 107.19 1iec n GLY 211 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 1iec n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iec s ASP 212 N -0.04 6.41 0.00 1.61 -1.08 -1.26 -4.89 116.67 117.42 1iec s ASP 212 Ca 0.00 1.48 0.19 0.00 -0.52 0.00 0.00 52.55 53.70 1iec s ASP 212 Cb 0.00 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.83 1iec s ASP 212 CO 0.00 -1.26 1.60 -0.81 0.52 0.00 0.00 175.17 175.23 1iec n PRO 213 N 7.65 0.16 -2.64 4.34 -0.04 -1.26 -4.72 135.00 138.48 1iec n PRO 213 Ca 0.18 0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.34 1iec n PRO 213 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1iec n PRO 213 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1iec s PHE 214 N -2.76 2.84 -0.41 0.54 2.19 -1.02 -3.92 117.98 115.44 1iec s PHE 214 Ca 0.14 0.65 0.05 0.00 0.33 0.00 0.00 56.93 58.10 1iec s PHE 214 Cb 0.13 -4.35 0.51 0.00 -1.31 0.00 0.00 43.02 38.00 1iec s PHE 214 CO 0.32 -1.24 1.63 0.54 1.83 0.00 0.00 175.22 178.29 1iec n ARG 215 N 7.71 2.47 -0.47 10.12 1.74 -0.42 -4.96 116.66 132.85 1iec n ARG 215 Ca 0.11 -3.39 0.00 0.00 -0.77 0.00 0.00 57.85 53.80 1iec n ARG 215 Cb 0.49 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1iec n ARG 215 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1iec n SER 216 N -1.00 1.46 -2.63 0.55 2.88 -0.57 -4.79 113.62 109.52 1iec n SER 216 Ca 0.47 -0.24 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 1iec n SER 216 Cb 1.04 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.50 1iec n SER 216 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1iec n ASP 217 N -0.37 -1.59 -0.32 -3.46 5.68 -1.26 -5.02 116.55 110.21 1iec n ASP 217 Ca 0.00 -2.51 -0.03 0.00 -0.50 0.00 0.00 54.79 51.75 1iec n ASP 217 Cb 0.00 2.77 0.11 0.00 -1.14 0.00 0.00 41.12 42.86 1iec n ASP 217 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1iec h SER 218 N 1.71 1.09 -0.74 -1.12 4.64 -1.98 -2.09 113.55 115.06 1iec h SER 218 Ca -0.26 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1iec h SER 218 Cb 1.05 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 1iec h SER 218 CO 0.34 0.87 0.44 1.88 -0.87 0.00 0.00 176.83 179.50 1iec h TYR 219 N 1.23 0.82 -0.30 4.77 0.05 -1.98 0.15 116.97 121.71 1iec h TYR 219 Ca 0.31 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.10 1iec h TYR 219 Cb 0.02 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 1iec h TYR 219 CO 0.01 0.43 0.15 0.78 -1.05 0.00 0.00 178.16 178.48 1iec h GLY 220 N 0.84 0.47 1.16 3.88 0.00 -1.82 -0.25 103.07 107.35 1iec h GLY 220 Ca 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1iec h GLY 220 CO -0.15 0.22 0.36 1.41 0.00 0.00 0.00 176.54 178.38 1iec h LEU 221 N 0.36 0.98 -0.69 3.11 3.38 -0.74 -1.66 115.31 120.05 1iec h LEU 221 Ca 0.10 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1iec h LEU 221 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1iec h LEU 221 CO -0.01 0.83 -0.19 0.25 0.09 0.00 0.00 178.44 179.41 1iec h LEU 222 N 1.08 0.82 -1.30 1.67 5.85 -0.37 -1.52 115.31 121.53 1iec h LEU 222 Ca 0.26 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1iec h LEU 222 Cb 0.12 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1iec h LEU 222 CO -0.03 1.00 -0.24 1.23 -0.34 0.00 0.00 178.44 180.06 1iec h GLY 223 N 0.96 0.19 1.20 3.75 0.00 -0.56 -2.32 103.07 106.28 1iec h GLY 223 Ca 0.10 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 1iec h GLY 223 CO 0.05 0.12 -0.33 -0.57 0.00 0.00 0.00 176.54 175.81 1iec h ASN 224 N 0.16 0.94 -0.93 0.19 -0.73 -0.85 -3.21 115.58 111.14 1iec h ASN 224 Ca 0.03 -0.40 0.08 0.00 1.87 0.00 0.00 56.30 57.87 1iec h ASN 224 Cb 0.51 -0.26 -0.07 0.00 0.27 0.00 0.00 38.32 38.77 1iec h ASN 224 CO 0.04 1.18 0.60 0.77 -0.37 0.00 0.00 177.43 179.65 1iec h SER 225 N 0.74 0.91 0.37 1.15 4.64 -0.71 -1.53 113.55 119.12 1iec h SER 225 Ca 0.07 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 1iec h SER 225 Cb 0.91 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1iec h SER 225 CO 0.08 0.56 -0.47 1.62 -0.87 0.00 0.00 176.83 177.75 1iec h VAL 226 N 1.01 1.34 -0.52 0.95 3.04 -1.54 -2.63 116.25 117.91 1iec h VAL 226 Ca 0.42 -1.65 -0.05 0.00 -1.01 0.00 0.00 66.70 64.41 1iec h VAL 226 Cb 0.29 1.83 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 1iec h VAL 226 CO -0.17 0.48 0.14 0.44 -1.01 0.00 0.00 177.57 177.45 1iec h ASP 227 N 0.11 0.77 -0.70 3.17 3.45 -1.36 -2.83 116.42 119.03 1iec h ASP 227 Ca 0.00 -0.22 0.08 0.00 0.43 0.00 0.00 57.03 57.33 1iec h ASP 227 Cb 0.88 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 39.40 1iec h ASP 227 CO 0.07 0.79 0.46 0.00 -1.57 0.00 0.00 179.24 178.98 1iec h ALA 228 N 1.01 1.82 0.00 3.45 0.00 -1.06 -1.52 119.26 122.97 1iec h ALA 228 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1iec h ALA 228 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iec h ALA 228 CO -0.00 0.04 -0.10 -0.07 0.00 0.00 0.00 179.25 179.12 1iec h LEU 229 N 0.63 0.00 -2.90 0.00 3.38 -1.26 -2.92 115.31 112.24 1iec h LEU 229 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1iec h LEU 229 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1iec h LEU 229 CO -0.10 0.10 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 1iec n TYR 230 N -3.41 0.98 -2.51 1.13 4.01 -0.58 -4.91 117.16 111.87 1iec n TYR 230 Ca -0.01 -0.54 -0.42 0.00 -0.16 0.00 0.00 57.90 56.76 1iec n TYR 230 Cb 0.27 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 1iec n TYR 230 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1iec s ILE 231 N -1.29 4.36 0.30 -0.72 1.01 -1.10 -4.98 121.20 118.78 1iec s ILE 231 Ca 0.43 1.68 -0.29 0.00 0.00 0.00 0.00 60.65 62.48 1iec s ILE 231 Cb 0.25 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 1iec s ILE 231 CO 0.26 0.04 1.11 -0.60 0.00 0.00 0.00 174.94 175.75 1iec s ARG 232 N 1.79 4.54 -1.42 2.79 6.06 -1.26 -3.40 118.95 128.04 1iec s ARG 232 Ca 0.55 1.80 -0.08 0.00 -2.50 0.00 0.00 55.73 55.50 1iec s ARG 232 Cb -0.24 -3.08 0.04 0.00 0.06 0.00 0.00 34.95 31.73 1iec s ARG 232 CO 0.24 0.12 0.61 0.39 -2.50 0.00 0.00 175.30 174.16 1iec n GLU 233 N 0.96 -4.40 0.14 5.12 -0.58 -1.26 -4.89 120.64 115.73 1iec n GLU 233 Ca -0.00 0.68 -0.14 0.00 -0.42 0.00 0.00 57.16 57.28 1iec n GLU 233 Cb 0.45 -5.49 -0.08 0.00 -0.57 0.00 0.00 31.44 25.76 1iec n GLU 233 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1iec h ARG 234 N -1.31 -0.26 -0.39 3.49 2.43 -1.94 -1.19 114.38 115.20 1iec h ARG 234 Ca -0.49 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.57 1iec h ARG 234 Cb 1.33 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1iec h ARG 234 CO 0.56 -0.18 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.52 1iec h LEU 235 N -0.27 0.91 -0.92 3.80 3.38 -1.90 -2.07 115.31 118.24 1iec h LEU 235 Ca -0.03 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1iec h LEU 235 Cb 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1iec h LEU 235 CO 0.05 1.14 0.45 -0.65 0.09 0.00 0.00 178.44 179.51 1iec h PRO 236 N 0.68 1.22 -0.21 1.13 0.11 -1.94 -0.34 132.00 132.65 1iec h PRO 236 Ca 0.08 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1iec h PRO 236 Cb 0.83 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1iec h PRO 236 CO 0.07 0.91 0.11 0.87 -0.21 0.00 0.00 178.00 179.75 1iec h LYS 237 N 1.22 0.30 -0.97 1.05 1.57 -1.14 -0.54 116.57 118.06 1iec h LYS 237 Ca 0.30 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1iec h LYS 237 Cb 0.06 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1iec h LYS 237 CO -0.04 0.29 0.61 1.25 -0.57 0.00 0.00 179.45 180.99 1iec h LEU 238 N 0.23 1.14 -0.62 2.94 5.85 -0.98 0.17 115.31 124.03 1iec h LEU 238 Ca 0.07 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1iec h LEU 238 Cb 0.08 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1iec h LEU 238 CO -0.01 0.85 -0.23 0.03 -0.34 0.00 0.00 178.44 178.74 1iec h ARG 239 N 1.32 0.85 -0.26 1.25 3.08 -0.83 0.13 114.38 119.92 1iec h ARG 239 Ca 0.35 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1iec h ARG 239 Cb -0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1iec h ARG 239 CO -0.07 0.99 0.15 -0.92 -1.07 0.00 0.00 179.97 179.05 1iec h TYR 240 N 0.74 0.36 -0.49 3.04 3.20 -0.37 -0.26 116.97 123.18 1iec h TYR 240 Ca 0.10 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1iec h TYR 240 Cb 0.76 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1iec h TYR 240 CO 0.04 0.30 0.29 -0.44 -1.64 0.00 0.00 178.16 176.71 1iec h ASP 241 N 0.32 0.60 -0.78 -2.11 3.32 -0.37 0.22 116.42 117.62 1iec h ASP 241 Ca 0.09 -0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1iec h ASP 241 Cb 0.06 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 1iec h ASP 241 CO -0.02 0.50 0.47 0.50 -1.72 0.00 0.00 179.24 178.97 1iec h LYS 242 N 0.66 0.83 0.10 3.56 3.64 -0.41 -1.89 116.57 123.07 1iec h LYS 242 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1iec h LYS 242 Cb 0.02 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1iec h LYS 242 CO -0.03 0.55 -0.05 0.37 -2.27 0.00 0.00 179.45 178.02 1iec h GLN 243 N 0.86 -0.13 -0.89 1.90 5.75 -0.55 -2.33 115.11 119.71 1iec h GLN 243 Ca 0.34 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.97 1iec h GLN 243 Cb 0.17 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.66 1iec h GLN 243 CO -0.17 0.14 0.51 1.25 -2.65 0.00 0.00 178.83 177.91 1iec h LEU 244 N -0.40 0.71 -2.36 -2.39 5.85 -0.58 -2.32 115.31 113.83 1iec h LEU 244 Ca -0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1iec h LEU 244 Cb 0.33 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1iec h LEU 244 CO 0.02 0.37 0.00 1.33 -0.34 0.00 0.00 178.44 179.82 1iec n VAL 245 N -4.74 1.06 -2.87 1.05 0.24 -0.75 -4.96 118.33 107.37 1iec n VAL 245 Ca 0.16 -0.86 -0.22 0.00 -2.04 0.00 0.00 64.34 61.39 1iec n VAL 245 Cb 0.35 0.26 0.02 0.00 -1.47 0.00 0.00 33.84 33.00 1iec n VAL 245 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iec n GLY 246 N 1.27 -0.51 3.66 7.63 0.00 -0.87 -4.36 105.19 112.00 1iec n GLY 246 Ca 0.20 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 1iec n GLY 246 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iec s VAL 247 N -3.11 4.62 0.27 1.61 1.01 -0.91 -4.65 120.40 119.23 1iec s VAL 247 Ca 0.22 -0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.20 1iec s VAL 247 Cb -0.10 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1iec s VAL 247 CO 0.28 0.53 -0.15 -0.89 0.00 0.00 0.00 175.10 174.86 1iec s THR 248 N -0.21 2.73 -0.86 3.92 2.01 -1.26 -4.61 115.64 117.35 1iec s THR 248 Ca 0.07 -2.24 0.24 0.00 0.31 0.00 0.00 61.69 60.07 1iec s THR 248 Cb -0.12 -2.43 0.23 0.00 0.01 0.00 0.00 72.50 70.19 1iec s THR 248 CO 0.02 -0.36 1.76 -0.62 -0.69 0.00 0.00 174.62 174.72 1iec n GLU 249 N -0.60 0.09 0.08 4.92 1.02 -1.26 -2.97 120.64 121.92 1iec n GLU 249 Ca -0.06 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 1iec n GLU 249 Cb 0.59 -1.63 0.45 0.00 -0.02 0.00 0.00 31.44 30.84 1iec n GLU 249 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1iec n ARG 250 N -1.79 0.14 -0.97 3.49 1.74 -1.26 -3.74 116.66 114.27 1iec n ARG 250 Ca 0.05 0.25 0.01 0.00 -0.77 0.00 0.00 57.85 57.39 1iec n ARG 250 Cb 0.31 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1iec n ARG 250 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1iec n GLU 251 N -1.98 0.00 -3.42 5.56 0.00 -1.16 -4.88 120.64 114.76 1iec n GLU 251 Ca 0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 57.16 55.80 1iec n GLU 251 Cb 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 31.44 31.60 1iec n GLU 251 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1iec n SER 252 N 0.20 -1.44 -0.82 -1.84 3.41 -1.17 -4.96 113.62 106.99 1iec n SER 252 Ca -0.01 -2.44 0.12 0.00 -0.26 0.00 0.00 58.87 56.28 1iec n SER 252 Cb 0.86 2.53 0.26 0.00 -0.26 0.00 0.00 64.21 67.61 1iec n SER 252 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1iec n TYR 253 N -0.46 0.10 -1.65 7.33 4.01 -1.26 -4.71 117.16 120.52 1iec n TYR 253 Ca -0.03 -0.05 -0.50 0.00 -0.16 0.00 0.00 57.90 57.17 1iec n TYR 253 Cb 0.48 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.46 1iec n TYR 253 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1iec n VAL 254 N 0.96 0.12 -0.04 -0.72 0.31 -1.26 -4.77 118.33 112.93 1iec n VAL 254 Ca 0.16 -0.02 -0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1iec n VAL 254 Cb 0.51 -1.31 -0.14 0.00 -0.91 0.00 0.00 33.84 31.99 1iec n VAL 254 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1iec n LYS 255 N 3.79 0.65 0.00 5.55 4.76 -1.26 -4.60 118.16 127.05 1iec n LYS 255 Ca 0.19 0.18 0.04 0.00 -2.87 0.00 0.00 58.31 55.85 1iec n LYS 255 Cb 0.24 -1.70 0.23 0.00 -1.84 0.00 0.00 35.03 31.96 1iec n LYS 255 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03