#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iee s VAL 2 N 0.00 5.12 0.45 3.15 1.01 -1.26 -0.69 120.40 128.19 1iee s VAL 2 Ca 0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 1iee s VAL 2 Cb 0.00 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1iee s VAL 2 CO 0.00 -0.72 1.21 -0.36 0.00 0.00 0.00 175.10 175.24 1iee s PHE 3 N 1.93 2.82 0.77 5.22 0.40 -0.22 -4.99 117.98 123.91 1iee s PHE 3 Ca 0.07 1.50 -0.11 0.00 -0.60 0.00 0.00 56.93 57.79 1iee s PHE 3 Cb -0.24 -3.48 0.05 0.00 0.51 0.00 0.00 43.02 39.86 1iee s PHE 3 CO 0.07 -1.75 1.08 0.20 0.70 0.00 0.00 175.22 175.52 1iee s GLY 4 N -1.17 1.65 0.07 4.36 0.00 -1.26 -4.82 107.32 106.15 1iee s GLY 4 Ca 0.62 0.03 -0.37 0.00 0.00 0.00 0.00 44.72 45.01 1iee s GLY 4 CO 0.39 0.41 1.57 -0.09 0.00 0.00 0.00 173.10 175.38 1iee h ARG 5 N -1.03 -1.15 -0.09 2.90 2.43 -1.96 0.16 114.38 115.64 1iee h ARG 5 Ca -0.45 0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 58.72 1iee h ARG 5 Cb 1.24 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 1iee h ARG 5 CO 0.56 -0.77 -0.30 0.00 -1.51 0.00 0.00 179.97 177.95 1iee h GLU 7 N 0.15 -0.15 -0.42 0.00 4.81 -1.89 -0.49 114.58 116.59 1iee h GLU 7 Ca 0.02 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1iee h GLU 7 Cb 0.60 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1iee h GLU 7 CO 0.04 -0.10 -0.04 1.25 -0.73 0.00 0.00 179.01 179.43 1iee h LEU 8 N -0.16 0.75 -0.53 1.64 5.85 -0.63 -2.38 115.31 119.85 1iee h LEU 8 Ca 0.10 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1iee h LEU 8 Cb 0.31 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1iee h LEU 8 CO -0.25 0.90 0.17 0.00 -0.34 0.00 0.00 178.44 178.92 1iee h ALA 9 N 0.88 0.65 -0.69 1.25 0.00 -0.84 0.67 119.26 121.17 1iee h ALA 9 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1iee h ALA 9 Cb 0.54 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1iee h ALA 9 CO 0.03 -0.24 0.40 0.00 0.00 0.00 0.00 179.25 179.45 1iee h ALA 10 N 1.38 0.89 -0.32 0.00 0.00 -0.95 0.19 119.26 120.44 1iee h ALA 10 Ca 0.26 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1iee h ALA 10 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1iee h ALA 10 CO -0.29 0.37 -0.21 0.00 0.00 0.00 0.00 179.25 179.12 1iee h ALA 11 N 1.21 0.46 -0.72 0.00 0.00 -0.95 -0.46 119.26 118.80 1iee h ALA 11 Ca 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1iee h ALA 11 Cb -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1iee h ALA 11 CO -0.04 0.41 0.46 0.52 0.00 0.00 0.00 179.25 180.60 1iee h MET 12 N 0.47 0.96 -0.47 0.00 2.86 -0.66 -1.93 114.93 116.17 1iee h MET 12 Ca 0.06 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1iee h MET 12 Cb 0.76 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1iee h MET 12 CO 0.06 0.66 0.13 -0.22 1.06 0.00 0.00 176.91 178.59 1iee h LYS 13 N 0.98 0.74 -0.42 1.72 3.64 -0.81 -1.49 116.57 120.93 1iee h LYS 13 Ca 0.26 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1iee h LYS 13 Cb -0.08 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1iee h LYS 13 CO -0.05 0.72 0.19 -0.09 -2.27 0.00 0.00 179.45 177.95 1iee h ARG 14 N 0.63 0.59 -0.17 1.90 2.43 -0.87 -1.69 114.38 117.19 1iee h ARG 14 Ca 0.15 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1iee h ARG 14 Cb 0.30 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1iee h ARG 14 CO -0.00 0.47 0.00 0.72 -1.51 0.00 0.00 179.97 179.65 1iee n HIS 15 N -4.39 0.22 -0.91 2.20 8.25 -0.74 -4.91 115.22 114.93 1iee n HIS 15 Ca 0.03 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1iee n HIS 15 Cb 0.13 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1iee n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iee n GLY 16 N 0.75 0.45 0.11 -1.41 0.00 -0.63 -4.95 105.19 99.50 1iee n GLY 16 Ca 0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 1iee n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iee h LEU 17 N 0.00 0.00 -8.94 0.99 3.38 -1.47 -3.39 115.31 105.89 1iee h LEU 17 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1iee h LEU 17 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1iee h LEU 17 CO 0.00 0.70 1.19 1.51 0.09 0.00 0.00 178.44 181.93 1iee s ASP 18 N -6.59 6.15 0.00 -0.43 -4.77 -1.26 -0.02 116.67 109.74 1iee s ASP 18 Ca 0.02 1.41 0.00 0.00 -3.30 0.00 0.00 52.55 50.68 1iee s ASP 18 Cb 0.09 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.39 1iee s ASP 18 CO 0.77 -1.48 0.00 0.59 0.70 0.00 0.00 175.17 175.74 1iee n ASN 19 N 9.33 -2.51 -4.71 2.11 3.02 -0.37 -4.88 115.26 117.26 1iee n ASN 19 Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 1iee n ASN 19 Cb 0.46 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 1iee n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1iee s TYR 20 N -2.00 3.21 -0.98 3.10 5.04 0.97 -1.52 117.35 125.17 1iee s TYR 20 Ca 0.00 1.03 -0.04 0.00 -2.44 0.00 0.00 57.07 55.63 1iee s TYR 20 Cb 0.00 -3.59 0.03 0.00 0.35 0.00 0.00 41.96 38.75 1iee s TYR 20 CO 0.00 -2.03 0.18 0.54 -1.34 0.00 0.00 175.55 172.90 1iee n ARG 21 N 4.33 -2.73 -0.78 4.97 5.12 -1.26 -1.61 116.66 124.70 1iee n ARG 21 Ca 0.11 0.45 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1iee n ARG 21 Cb 0.44 -5.07 0.00 0.00 -1.16 0.00 0.00 32.46 26.67 1iee n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iee n GLY 22 N -0.89 0.75 3.53 -0.13 0.00 -0.58 -5.03 105.19 102.86 1iee n GLY 22 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1iee n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iee s TYR 23 N -2.80 3.22 0.89 1.61 2.02 -0.63 -4.89 117.35 116.76 1iee s TYR 23 Ca 0.00 -0.15 -0.10 0.00 -0.37 0.00 0.00 57.07 56.45 1iee s TYR 23 Cb 0.00 -2.54 0.13 0.00 -0.40 0.00 0.00 41.96 39.14 1iee s TYR 23 CO 0.00 -0.39 1.13 -1.54 -1.57 0.00 0.00 175.55 173.19 1iee s SER 24 N 1.73 3.23 0.27 2.29 1.04 -1.26 -1.24 113.70 119.76 1iee s SER 24 Ca 0.08 2.10 -0.01 0.00 0.48 0.00 0.00 55.95 58.60 1iee s SER 24 Cb -0.17 -2.55 0.50 0.00 0.10 0.00 0.00 66.02 63.90 1iee s SER 24 CO 0.11 -2.89 1.81 0.25 0.98 0.00 0.00 173.24 173.50 1iee h LEU 25 N -1.72 0.75 -1.69 2.42 5.85 -1.90 -0.87 115.31 118.16 1iee h LEU 25 Ca -0.43 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1iee h LEU 25 Cb 1.26 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1iee h LEU 25 CO 0.44 0.39 0.04 1.23 -0.34 0.00 0.00 178.44 180.20 1iee h GLY 26 N 0.84 0.26 0.85 3.75 0.00 -1.91 -1.31 103.07 105.54 1iee h GLY 26 Ca 0.46 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.71 1iee h GLY 26 CO -0.28 0.11 0.40 3.43 0.00 0.00 0.00 176.54 180.20 1iee h ASN 27 N 0.24 0.65 -0.36 0.19 2.35 -1.38 -0.26 115.58 117.01 1iee h ASN 27 Ca 0.06 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 1iee h ASN 27 Cb 0.10 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1iee h ASN 27 CO -0.00 0.45 -0.37 -0.50 -1.65 0.00 0.00 177.43 175.36 1iee h TRP 28 N 0.78 1.06 -0.38 1.19 4.06 -1.30 -1.01 115.95 120.34 1iee h TRP 28 Ca 0.27 -0.32 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 1iee h TRP 28 Cb 0.04 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 1iee h TRP 28 CO -0.05 1.13 0.09 0.28 -3.56 0.00 0.00 178.44 176.33 1iee h VAL 29 N 0.68 1.23 -0.53 1.49 2.07 -1.20 -1.33 116.25 118.66 1iee h VAL 29 Ca 0.06 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1iee h VAL 29 Cb 0.96 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1iee h VAL 29 CO 0.09 0.27 0.30 0.00 0.02 0.00 0.00 177.57 178.25 1iee h ALA 31 N 1.26 0.26 -0.68 0.00 0.00 -1.00 -2.16 119.26 116.93 1iee h ALA 31 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1iee h ALA 31 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1iee h ALA 31 CO -0.12 -0.27 0.28 0.00 0.00 0.00 0.00 179.25 179.14 1iee h ALA 32 N 1.08 1.21 -0.05 0.00 0.00 -0.85 0.57 119.26 121.22 1iee h ALA 32 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1iee h ALA 32 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1iee h ALA 32 CO -0.02 0.58 -0.10 -0.22 0.00 0.00 0.00 179.25 179.48 1iee h LYS 33 N 0.98 -0.15 0.00 0.00 1.63 -0.54 -0.70 116.57 117.79 1iee h LYS 33 Ca 0.23 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1iee h LYS 33 Cb 0.17 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1iee h LYS 33 CO -0.02 -0.10 -0.50 0.74 -3.45 0.00 0.00 179.45 176.12 1iee h PHE 34 N -0.15 0.00 0.07 1.91 0.04 -1.16 0.85 116.94 118.49 1iee h PHE 34 Ca 0.06 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 1iee h PHE 34 Cb 0.23 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.39 1iee h PHE 34 CO -0.19 0.00 -0.47 0.93 -0.60 0.00 0.00 178.31 177.98 1iee h GLU 35 N 0.00 0.19 0.00 1.51 4.39 -0.77 -3.43 114.58 116.47 1iee h GLU 35 Ca 0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1iee h GLU 35 Cb 0.84 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1iee h GLU 35 CO 0.00 1.12 0.00 -1.13 -1.16 0.00 0.00 179.01 177.84 1iee n SER 36 N -4.34 0.23 -2.82 1.42 3.41 -0.30 -4.84 113.62 106.40 1iee n SER 36 Ca -0.12 -0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 57.64 1iee n SER 36 Cb 0.66 0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 1iee n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1iee n ASN 37 N -0.18 -5.13 -1.05 4.04 5.15 0.29 -1.77 115.26 116.60 1iee n ASN 37 Ca 0.00 -0.14 -0.14 0.00 -0.60 0.00 0.00 54.58 53.70 1iee n ASN 37 Cb 0.08 -4.23 -0.06 0.00 -0.53 0.00 0.00 39.78 35.05 1iee n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1iee n PHE 38 N -4.04 -0.02 -3.48 1.20 3.72 -1.21 -4.84 117.46 108.78 1iee n PHE 38 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 1iee n PHE 38 Cb 0.62 -2.45 -0.10 0.00 -0.94 0.00 0.00 39.48 36.61 1iee n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1iee s ASN 39 N -2.84 6.10 0.60 4.37 3.84 -0.73 -1.05 114.94 125.22 1iee s ASN 39 Ca 0.00 -0.64 0.32 0.00 0.21 0.00 0.00 52.86 52.75 1iee s ASN 39 Cb 0.00 -2.16 1.90 0.00 -0.55 0.00 0.00 41.25 40.44 1iee s ASN 39 CO 0.00 -0.36 2.26 0.71 -2.79 0.00 0.00 177.10 176.93 1iee h THR 40 N 5.57 0.44 -0.01 -5.21 1.35 -1.22 -2.57 112.91 111.26 1iee h THR 40 Ca -0.29 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1iee h THR 40 Cb 1.14 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1iee h THR 40 CO 0.69 0.01 -0.03 0.00 -0.25 0.00 0.00 175.52 175.94 1iee n GLN 41 N -3.70 1.43 -1.87 4.72 6.02 -1.26 -4.09 117.38 118.63 1iee n GLN 41 Ca -0.03 -0.73 -0.41 0.00 -0.01 0.00 0.00 57.00 55.82 1iee n GLN 41 Cb 0.09 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 1iee n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iee s ALA 42 N -2.07 3.72 -0.00 -1.58 0.00 -0.97 -4.79 121.76 116.06 1iee s ALA 42 Ca 0.38 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.83 1iee s ALA 42 Cb 0.21 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1iee s ALA 42 CO 0.36 -0.89 -0.06 0.95 0.00 0.00 0.00 175.76 176.13 1iee s THR 43 N 0.11 0.45 -0.11 0.00 -4.23 -1.26 -0.47 115.64 110.12 1iee s THR 43 Ca 0.63 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.84 1iee s THR 43 Cb -0.46 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.05 1iee s THR 43 CO 0.45 0.13 0.26 0.20 -0.54 0.00 0.00 174.62 175.11 1iee s ASN 44 N -0.12 -0.10 0.17 3.99 0.01 -0.59 -4.98 114.94 113.31 1iee s ASN 44 Ca 0.02 0.56 -0.30 0.00 -0.71 0.00 0.00 52.86 52.43 1iee s ASN 44 Cb -0.02 0.50 -0.07 0.00 0.41 0.00 0.00 41.25 42.07 1iee s ASN 44 CO -0.00 -0.19 1.08 -0.60 -1.51 0.00 0.00 177.10 175.88 1iee s ARG 45 N 1.60 4.61 0.36 -0.60 6.06 -1.26 -0.66 118.95 129.06 1iee s ARG 45 Ca -0.06 1.67 -0.03 0.00 -2.50 0.00 0.00 55.73 54.81 1iee s ARG 45 Cb -0.11 -3.30 -0.04 0.00 0.06 0.00 0.00 34.95 31.57 1iee s ARG 45 CO -0.09 0.10 0.61 -0.80 -2.50 0.00 0.00 175.30 172.62 1iee s ASN 46 N -0.09 6.34 0.47 -2.12 0.01 0.24 -4.94 114.94 114.85 1iee s ASN 46 Ca 0.49 0.65 0.14 0.00 -0.71 0.00 0.00 52.86 53.43 1iee s ASN 46 Cb -0.28 -2.12 1.13 0.00 0.41 0.00 0.00 41.25 40.38 1iee s ASN 46 CO 0.34 -0.33 2.07 0.71 -1.51 0.00 0.00 177.10 178.38 1iee h THR 47 N 0.82 0.98 0.00 1.60 1.35 -1.97 -1.46 112.91 114.22 1iee h THR 47 Ca -0.48 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1iee h THR 47 Cb 1.21 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1iee h THR 47 CO 0.63 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1iee n ASP 48 N -4.49 0.00 0.00 5.36 5.68 -1.26 -4.87 116.55 116.97 1iee n ASP 48 Ca 0.03 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1iee n ASP 48 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1iee n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iee n GLY 49 N 0.79 1.19 3.81 6.12 0.00 -0.55 -5.00 105.19 111.55 1iee n GLY 49 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1iee n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iee s SER 50 N -2.54 3.24 0.03 1.61 1.04 -1.26 -4.74 113.70 111.08 1iee s SER 50 Ca 0.00 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.22 1iee s SER 50 Cb 0.00 -1.19 -0.02 0.00 0.10 0.00 0.00 66.02 64.92 1iee s SER 50 CO 0.00 -2.70 -0.09 -0.89 0.98 0.00 0.00 173.24 170.54 1iee s THR 51 N -3.40 0.69 -0.10 2.02 2.01 -1.26 -0.60 115.64 115.00 1iee s THR 51 Ca 0.66 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 1iee s THR 51 Cb -0.12 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1iee s THR 51 CO 0.53 -0.15 0.09 -1.81 -0.69 0.00 0.00 174.62 172.59 1iee s ASP 52 N -1.11 5.98 -0.04 3.53 1.01 0.16 -1.61 116.67 124.59 1iee s ASP 52 Ca -0.04 0.35 0.03 0.00 0.71 0.00 0.00 52.55 53.60 1iee s ASP 52 Cb -0.07 -1.85 0.01 0.00 1.01 0.00 0.00 42.92 42.01 1iee s ASP 52 CO 0.01 0.39 -0.11 -0.31 0.21 0.00 0.00 175.17 175.35 1iee s TYR 53 N -0.99 1.26 0.00 4.23 1.51 0.34 -1.54 117.35 122.16 1iee s TYR 53 Ca 0.15 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1iee s TYR 53 Cb -0.12 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 1iee s TYR 53 CO 0.04 -0.18 0.00 0.41 -1.11 0.00 0.00 175.55 174.71 1iee n GLY 54 N 3.50 -1.92 0.32 0.71 0.00 0.38 -1.42 105.19 106.75 1iee n GLY 54 Ca -0.20 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.31 1iee n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1iee h ILE 55 N 0.00 1.04 -0.31 -0.61 3.07 -1.73 -1.27 117.51 117.70 1iee h ILE 55 Ca 0.00 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1iee h ILE 55 Cb 0.00 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 37.04 1iee h ILE 55 CO 0.00 0.09 0.00 0.18 -1.05 0.00 0.00 178.15 177.37 1iee n LEU 56 N -4.48 3.77 -3.71 0.16 4.77 -1.26 -3.86 117.00 112.39 1iee n LEU 56 Ca 0.05 -2.73 -0.32 0.00 -0.03 0.00 0.00 56.01 52.98 1iee n LEU 56 Cb 0.15 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1iee n LEU 56 CO 0.35 0.69 -0.08 0.00 -1.33 0.00 0.00 177.39 177.02 1iee n GLN 57 N -0.12 -1.30 -3.42 3.23 1.13 -0.48 -4.93 117.38 111.49 1iee n GLN 57 Ca 0.19 0.44 -0.38 0.00 -1.94 0.00 0.00 57.00 55.31 1iee n GLN 57 Cb 0.79 -4.08 -0.06 0.00 0.11 0.00 0.00 30.24 27.00 1iee n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1iee s ILE 58 N -3.49 4.93 0.14 5.09 1.01 -0.51 -4.36 121.20 124.01 1iee s ILE 58 Ca 0.46 0.94 -0.05 0.00 0.00 0.00 0.00 60.65 62.00 1iee s ILE 58 Cb -0.17 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 1iee s ILE 58 CO 0.87 0.54 0.38 0.21 0.00 0.00 0.00 174.94 176.93 1iee s ASN 59 N -1.16 6.50 0.00 3.58 3.84 -1.26 -0.51 114.94 125.93 1iee s ASN 59 Ca 0.27 0.61 0.20 0.00 0.21 0.00 0.00 52.86 54.15 1iee s ASN 59 Cb -0.17 -2.10 0.57 0.00 -0.55 0.00 0.00 41.25 38.99 1iee s ASN 59 CO 0.16 0.06 1.45 -1.54 -2.79 0.00 0.00 177.10 174.44 1iee n SER 60 N 0.13 2.48 -0.01 -4.21 3.41 -0.63 -1.75 113.62 113.03 1iee n SER 60 Ca -0.03 -1.87 -0.22 0.00 -0.26 0.00 0.00 58.87 56.49 1iee n SER 60 Cb 0.52 -0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.13 1iee n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1iee h ARG 61 N 3.11 0.22 0.00 4.33 2.43 -1.86 -3.42 114.38 119.19 1iee h ARG 61 Ca 0.00 -0.37 -0.26 0.00 -0.81 0.00 0.00 59.98 58.54 1iee h ARG 61 Cb 0.69 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 1iee h ARG 61 CO 0.00 1.18 -1.99 0.91 -1.51 0.00 0.00 179.97 178.56 1iee n TRP 62 N -3.79 0.00 -0.07 2.20 7.02 -1.25 -1.58 117.44 119.97 1iee n TRP 62 Ca -0.30 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.10 1iee n TRP 62 Cb 0.94 -0.69 -0.09 0.00 -2.42 0.00 0.00 31.31 29.06 1iee n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1iee n TRP 63 N -2.79 0.00 -4.22 -5.99 7.02 -0.72 -1.44 117.44 109.30 1iee n TRP 63 Ca -0.28 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.08 1iee n TRP 63 Cb 0.89 -0.60 -0.10 0.00 -2.42 0.00 0.00 31.31 29.08 1iee n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1iee s ASN 65 N -3.13 5.95 0.00 0.00 2.47 -0.32 -4.38 114.94 115.53 1iee s ASN 65 Ca 0.19 0.08 0.02 0.00 0.42 0.00 0.00 52.86 53.57 1iee s ASN 65 Cb 0.05 -2.06 0.02 0.00 -1.45 0.00 0.00 41.25 37.81 1iee s ASN 65 CO 0.01 0.08 0.68 -0.90 -3.72 0.00 0.00 177.10 173.24 1iee n ASP 66 N 4.19 1.40 0.00 -4.21 5.68 -1.26 -0.75 116.55 121.60 1iee n ASP 66 Ca -0.15 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1iee n ASP 66 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1iee n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iee n GLY 67 N -0.00 0.52 1.19 6.12 0.00 -1.26 -4.77 105.19 106.98 1iee n GLY 67 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1iee n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1iee n ARG 68 N -1.89 0.32 -3.92 1.61 1.85 -1.26 -4.99 116.66 108.38 1iee n ARG 68 Ca 0.00 -2.15 -0.30 0.00 -1.00 0.00 0.00 57.85 54.40 1iee n ARG 68 Cb 0.03 -0.39 -0.15 0.00 -1.05 0.00 0.00 32.46 30.90 1iee n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1iee s THR 69 N -0.67 1.54 0.25 8.89 2.01 -1.26 -4.82 115.64 121.58 1iee s THR 69 Ca 0.31 -1.39 -0.31 0.00 0.31 0.00 0.00 61.69 60.61 1iee s THR 69 Cb 0.34 -1.89 -0.13 0.00 0.01 0.00 0.00 72.50 70.83 1iee s THR 69 CO -0.13 -0.24 1.53 -2.65 -0.69 0.00 0.00 174.62 172.44 1iee n PRO 70 N 4.64 2.37 -0.56 4.92 -0.02 -1.26 -2.27 135.00 142.82 1iee n PRO 70 Ca -0.09 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1iee n PRO 70 Cb 0.43 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1iee n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iee n GLY 71 N 2.47 0.74 3.61 -1.23 0.00 -1.26 -4.96 105.19 104.56 1iee n GLY 71 Ca 0.11 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.59 1iee n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iee n SER 72 N 0.00 1.56 -0.03 1.61 2.88 -0.96 -4.86 113.62 113.81 1iee n SER 72 Ca 0.00 1.12 0.05 0.00 -1.33 0.00 0.00 58.87 58.71 1iee n SER 72 Cb 0.00 -1.13 -0.16 0.00 -0.75 0.00 0.00 64.21 62.17 1iee n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1iee n ARG 73 N 3.03 0.70 -3.88 -1.46 5.12 -0.62 -5.02 116.66 114.54 1iee n ARG 73 Ca 0.21 -0.14 -0.28 0.00 -1.93 0.00 0.00 57.85 55.71 1iee n ARG 73 Cb 0.15 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1iee n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1iee n ASN 74 N -2.34 -2.00 0.23 0.55 5.15 -1.18 -4.85 115.26 110.81 1iee n ASN 74 Ca -0.11 -1.03 0.12 0.00 -0.60 0.00 0.00 54.58 52.96 1iee n ASN 74 Cb 0.69 -3.07 0.45 0.00 -0.53 0.00 0.00 39.78 37.32 1iee n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1iee h LEU 75 N -1.90 0.00 -0.02 1.20 3.38 -1.20 0.13 115.31 116.90 1iee h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1iee h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1iee h LEU 75 CO 0.57 0.16 -0.02 0.00 0.09 0.00 0.00 178.44 179.25 1iee n ASN 77 N -1.26 -4.58 -3.86 0.00 3.02 0.46 -4.98 115.26 104.06 1iee n ASN 77 Ca 0.14 -0.51 -0.13 0.00 -0.03 0.00 0.00 54.58 54.06 1iee n ASN 77 Cb 0.25 -4.58 -0.14 0.00 -0.61 0.00 0.00 39.78 34.70 1iee n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1iee s ILE 78 N -3.30 0.01 0.40 2.41 1.10 -1.26 -5.06 121.20 115.49 1iee s ILE 78 Ca 0.34 0.02 -0.27 0.00 -0.51 0.00 0.00 60.65 60.24 1iee s ILE 78 Cb -0.15 -0.04 -0.10 0.00 0.15 0.00 0.00 42.46 42.32 1iee s ILE 78 CO 0.65 0.02 1.44 -2.84 -2.11 0.00 0.00 174.94 172.10 1iee s PRO 79 N 0.16 4.00 0.45 3.50 0.02 -1.26 -1.18 135.00 140.69 1iee s PRO 79 Ca -0.01 2.46 0.12 0.00 0.02 0.00 0.00 61.00 63.59 1iee s PRO 79 Cb -0.02 -2.87 1.03 0.00 0.02 0.00 0.00 34.50 32.66 1iee s PRO 79 CO -0.00 -0.58 2.05 0.00 -0.33 0.00 0.00 177.00 178.13 1iee h SER 81 N 0.36 0.00 0.35 0.00 4.64 -1.90 -0.34 113.55 116.65 1iee h SER 81 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1iee h SER 81 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1iee h SER 81 CO -0.04 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1iee h ALA 82 N 1.96 1.00 -0.02 5.18 0.00 -1.49 -1.60 119.26 124.28 1iee h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iee h ALA 82 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1iee h ALA 82 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1iee n LEU 83 N -2.47 0.64 -0.53 0.00 4.77 -0.14 -3.47 117.00 115.80 1iee n LEU 83 Ca -0.00 -0.23 0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1iee n LEU 83 Cb 0.13 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1iee n LEU 83 CO 0.16 0.12 0.39 0.18 -1.33 0.00 0.00 177.39 176.91 1iee n LEU 84 N -0.46 2.04 -4.72 2.23 4.77 -0.60 -3.90 117.00 116.36 1iee n LEU 84 Ca 0.20 -0.87 -0.36 0.00 -0.03 0.00 0.00 56.01 54.94 1iee n LEU 84 Cb 0.20 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1iee n LEU 84 CO 0.16 0.37 0.87 -0.24 -1.33 0.00 0.00 177.39 177.22 1iee n SER 85 N 0.40 1.83 0.25 -1.43 2.88 -1.23 -4.20 113.62 112.12 1iee n SER 85 Ca 0.08 0.78 0.07 0.00 -1.33 0.00 0.00 58.87 58.47 1iee n SER 85 Cb 0.39 -1.54 0.61 0.00 -0.75 0.00 0.00 64.21 62.92 1iee n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1iee h SER 86 N 0.21 0.01 -3.49 -3.46 4.64 -1.93 -3.40 113.55 106.13 1iee h SER 86 Ca -0.50 -0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.23 1iee h SER 86 Cb 1.33 -0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.33 1iee h SER 86 CO 0.51 0.04 0.61 -0.62 -0.87 0.00 0.00 176.83 176.51 1iee s ASP 87 N -7.05 6.68 0.00 4.97 -1.08 -1.26 -4.96 116.67 113.97 1iee s ASP 87 Ca -0.05 0.59 0.17 0.00 -0.52 0.00 0.00 52.55 52.74 1iee s ASP 87 Cb 0.17 -2.47 0.87 0.00 -1.46 0.00 0.00 42.92 40.03 1iee s ASP 87 CO 0.68 -0.86 1.58 2.30 0.52 0.00 0.00 175.17 179.38 1iee n ILE 88 N 5.99 0.06 -0.12 4.11 -5.35 -1.26 -4.37 119.36 118.42 1iee n ILE 88 Ca 0.07 -0.09 -0.05 0.00 -0.27 0.00 0.00 62.75 62.41 1iee n ILE 88 Cb 0.48 -0.09 0.01 0.00 -1.74 0.00 0.00 39.64 38.30 1iee n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1iee h THR 89 N 0.56 0.40 -0.60 7.28 2.02 -1.94 0.20 112.91 120.83 1iee h THR 89 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1iee h THR 89 Cb 0.12 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1iee h THR 89 CO 0.00 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.93 1iee h ALA 90 N 1.14 0.80 -0.68 6.16 0.00 -1.86 0.12 119.26 124.95 1iee h ALA 90 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1iee h ALA 90 Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1iee h ALA 90 CO -0.49 0.60 0.37 0.77 0.00 0.00 0.00 179.25 180.50 1iee h SER 91 N 0.92 0.84 -0.46 0.00 0.02 -1.65 -1.54 113.55 111.68 1iee h SER 91 Ca 0.17 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1iee h SER 91 Cb 0.50 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1iee h SER 91 CO 0.02 0.70 0.07 0.58 -1.14 0.00 0.00 176.83 177.06 1iee h VAL 92 N 0.93 1.25 -0.84 2.27 2.07 -0.53 0.70 116.25 122.09 1iee h VAL 92 Ca 0.24 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.88 1iee h VAL 92 Cb 0.04 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1iee h VAL 92 CO -0.04 0.32 0.54 0.78 0.02 0.00 0.00 177.57 179.19 1iee h ASN 93 N 0.63 0.90 -0.23 0.57 2.35 -0.80 -0.81 115.58 118.18 1iee h ASN 93 Ca 0.14 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.74 1iee h ASN 93 Cb 0.39 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1iee h ASN 93 CO 0.01 0.62 -0.41 0.00 -1.65 0.00 0.00 177.43 176.00 1iee h ALA 95 N 0.63 1.68 -0.77 0.00 0.00 -0.45 -0.65 119.26 119.70 1iee h ALA 95 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1iee h ALA 95 Cb 1.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1iee h ALA 95 CO 0.09 0.21 0.47 0.87 0.00 0.00 0.00 179.25 180.89 1iee h LYS 96 N 0.79 1.05 -0.35 0.00 1.57 -1.06 -0.44 116.57 118.12 1iee h LYS 96 Ca 0.31 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1iee h LYS 96 Cb 0.23 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1iee h LYS 96 CO -0.10 0.74 0.15 0.87 -0.57 0.00 0.00 179.45 180.53 1iee h LYS 97 N 1.06 0.52 -0.19 3.15 1.57 -1.08 -2.85 116.57 118.75 1iee h LYS 97 Ca 0.28 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1iee h LYS 97 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1iee h LYS 97 CO -0.05 0.50 0.10 0.82 -0.57 0.00 0.00 179.45 180.25 1iee h ILE 98 N 0.42 1.01 0.00 1.86 2.04 -0.81 -2.38 117.51 119.65 1iee h ILE 98 Ca 0.12 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1iee h ILE 98 Cb 0.17 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1iee h ILE 98 CO -0.01 0.04 0.00 0.55 0.00 0.00 0.00 178.15 178.73 1iee n VAL 99 N -4.99 0.73 1.27 1.67 3.14 -0.21 -1.68 118.33 118.25 1iee n VAL 99 Ca -0.03 0.15 0.13 0.00 -2.96 0.00 0.00 64.34 61.63 1iee n VAL 99 Cb 0.05 -0.91 0.39 0.00 -1.06 0.00 0.00 33.84 32.31 1iee n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1iee n SER 100 N -1.75 1.06 0.06 6.55 7.64 -0.91 -3.83 113.62 122.45 1iee n SER 100 Ca 0.04 -0.94 0.12 0.00 1.01 0.00 0.00 58.87 59.10 1iee n SER 100 Cb 0.24 0.12 0.47 0.00 -1.01 0.00 0.00 64.21 64.04 1iee n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1iee n ASP 101 N -0.58 0.44 0.00 6.43 2.03 -0.67 -4.90 116.55 119.30 1iee n ASP 101 Ca 0.13 0.56 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1iee n ASP 101 Cb 0.35 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1iee n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iee n GLY 102 N 0.96 1.42 0.89 0.27 0.00 -1.26 -4.96 105.19 102.50 1iee n GLY 102 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1iee n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iee n ASN 103 N 0.00 3.56 0.00 1.61 3.02 -1.26 -5.06 115.26 117.13 1iee n ASN 103 Ca 0.00 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1iee n ASN 103 Cb 0.00 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1iee n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iee n GLY 104 N 0.32 2.47 0.00 7.41 0.00 -1.25 -2.02 105.19 112.12 1iee n GLY 104 Ca 0.17 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1iee n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iee n MET 105 N 10.77 0.33 0.28 1.61 2.81 -1.26 -2.90 117.12 128.76 1iee n MET 105 Ca 0.00 0.06 0.19 0.00 -1.81 0.00 0.00 57.70 56.14 1iee n MET 105 Cb 0.00 -1.50 0.98 0.00 -0.71 0.00 0.00 33.22 31.99 1iee n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1iee h ASN 106 N 0.00 0.00 -0.54 7.83 2.35 -1.82 -1.32 115.58 122.08 1iee h ASN 106 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 1iee h ASN 106 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1iee h ASN 106 CO 0.00 0.00 0.38 0.00 -1.65 0.00 0.00 177.43 176.16 1iee h ALA 107 N 2.01 2.44 -1.96 -0.83 0.00 -1.70 -3.25 119.26 115.97 1iee h ALA 107 Ca 0.00 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 54.20 1iee h ALA 107 Cb 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.69 1iee h ALA 107 CO 0.00 -0.59 0.70 -1.58 0.00 0.00 0.00 179.25 177.78 1iee s TRP 108 N -5.06 3.11 0.30 0.00 0.51 -0.50 -4.93 118.94 112.37 1iee s TRP 108 Ca -0.05 -1.32 0.05 0.00 -2.12 0.00 0.00 56.10 52.66 1iee s TRP 108 Cb 0.20 -4.23 0.77 0.00 -0.81 0.00 0.00 33.47 29.39 1iee s TRP 108 CO 0.73 -1.46 1.68 -0.24 -0.51 0.00 0.00 176.95 177.16 1iee h VAL 109 N 5.78 0.43 -0.14 4.03 3.04 -1.82 0.12 116.25 127.69 1iee h VAL 109 Ca 0.08 -0.12 -0.10 0.00 -1.01 0.00 0.00 66.70 65.55 1iee h VAL 109 Cb 1.03 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1iee h VAL 109 CO 1.09 0.07 -0.34 0.00 -1.01 0.00 0.00 177.57 177.38 1iee h ALA 110 N 1.74 1.17 -0.39 3.17 0.00 -1.91 0.47 119.26 123.51 1iee h ALA 110 Ca 0.58 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1iee h ALA 110 Cb 1.14 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1iee h ALA 110 CO -0.56 0.55 0.09 2.35 0.00 0.00 0.00 179.25 181.68 1iee h TRP 111 N 0.24 0.16 -0.37 0.00 7.01 -1.31 -0.61 115.95 121.08 1iee h TRP 111 Ca 0.03 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1iee h TRP 111 Cb 0.72 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 1iee h TRP 111 CO 0.01 0.04 0.24 -0.09 -2.79 0.00 0.00 178.44 175.86 1iee h ARG 112 N 0.23 0.49 0.00 2.65 2.43 -0.37 0.14 114.38 119.94 1iee h ARG 112 Ca 0.19 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1iee h ARG 112 Cb 0.21 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1iee h ARG 112 CO -0.23 0.32 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.54 1iee h ASN 113 N 0.50 0.00 0.00 -3.80 2.35 -0.07 -3.36 115.58 111.20 1iee h ASN 113 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1iee h ASN 113 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1iee h ASN 113 CO -0.03 0.10 -0.66 0.54 -1.65 0.00 0.00 177.43 175.72 1iee n ARG 114 N -3.12 2.00 -0.05 0.81 1.74 -0.24 -4.90 116.66 112.90 1iee n ARG 114 Ca 0.04 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 1iee n ARG 114 Cb 0.57 -0.83 -0.04 0.00 -1.02 0.00 0.00 32.46 31.14 1iee n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iee n LYS 116 N -3.12 1.84 0.00 0.00 4.81 0.29 -1.42 118.16 120.56 1iee n LYS 116 Ca -0.18 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1iee n LYS 116 Cb 0.66 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1iee n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iee n GLY 117 N 3.37 2.29 3.97 3.14 0.00 -1.26 -4.97 105.19 111.74 1iee n GLY 117 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1iee n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iee s THR 118 N -2.46 2.24 -1.33 2.61 -4.23 -0.51 -4.95 115.64 107.02 1iee s THR 118 Ca 0.00 -0.49 -0.17 0.00 -1.18 0.00 0.00 61.69 59.85 1iee s THR 118 Cb 0.00 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 71.12 1iee s THR 118 CO 0.00 0.00 1.97 -0.67 -0.54 0.00 0.00 174.62 175.38 1iee n ASP 119 N -2.85 4.23 0.28 3.99 2.03 -1.26 -4.75 116.55 118.22 1iee n ASP 119 Ca 0.13 -2.86 0.18 0.00 0.52 0.00 0.00 54.79 52.76 1iee n ASP 119 Cb 0.60 -1.67 0.75 0.00 -0.72 0.00 0.00 41.12 40.08 1iee n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1iee h VAL 120 N 4.89 0.00 0.00 5.18 -1.51 -1.90 -2.34 116.25 120.58 1iee h VAL 120 Ca 0.48 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 65.51 1iee h VAL 120 Cb 0.77 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1iee h VAL 120 CO 1.65 0.00 -0.03 0.06 -1.23 0.00 0.00 177.57 178.02 1iee h GLN 121 N 0.00 0.00 -0.51 5.19 3.07 -1.88 -1.22 115.11 119.76 1iee h GLN 121 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.88 1iee h GLN 121 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.98 1iee h GLN 121 CO 0.00 0.03 0.37 0.00 0.09 0.00 0.00 178.83 179.32 1iee h ALA 122 N 1.97 2.45 0.00 0.06 0.00 -1.82 -1.58 119.26 120.33 1iee h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iee h ALA 122 Cb 0.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iee h ALA 122 CO 0.00 -0.59 0.00 -1.49 0.00 0.00 0.00 179.25 177.17 1iee h TRP 123 N 0.03 0.00 -0.41 0.00 4.06 -1.44 -2.37 115.95 115.82 1iee h TRP 123 Ca 0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.19 1iee h TRP 123 Cb 0.94 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 1iee h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1iee n ILE 124 N -2.37 1.18 -1.74 1.49 -5.35 -0.60 -4.80 119.36 107.17 1iee n ILE 124 Ca 0.02 -1.10 -0.42 0.00 -0.27 0.00 0.00 62.75 60.97 1iee n ILE 124 Cb 0.23 0.40 -0.01 0.00 -1.74 0.00 0.00 39.64 38.52 1iee n ILE 124 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1iee n ARG 125 N 0.60 2.54 0.00 6.28 1.85 -0.89 -2.32 116.66 124.72 1iee n ARG 125 Ca 0.15 0.90 0.00 0.00 -1.00 0.00 0.00 57.85 57.90 1iee n ARG 125 Cb 0.53 -2.63 0.00 0.00 -1.05 0.00 0.00 32.46 29.30 1iee n ARG 125 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1iee n GLY 126 N 1.64 2.94 3.74 2.89 0.00 -1.26 -4.98 105.19 110.16 1iee n GLY 126 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1iee n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iee s ARG 128 N -0.80 3.07 0.00 0.00 6.06 -1.26 -5.11 118.95 120.91 1iee s ARG 128 Ca 0.45 -1.13 0.00 0.00 -2.50 0.00 0.00 55.73 52.56 1iee s ARG 128 Cb -0.28 -4.17 0.00 0.00 0.06 0.00 0.00 34.95 30.56 1iee s ARG 128 CO 0.35 -1.32 0.21 1.28 -2.50 0.00 0.00 175.30 173.32