#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ios s VAL 2 N 0.00 4.76 0.61 3.15 1.01 -1.26 -1.05 120.40 127.63 1ios s VAL 2 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1ios s VAL 2 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1ios s VAL 2 CO 0.00 -0.10 1.04 -0.36 0.00 0.00 0.00 175.10 175.68 1ios s PHE 3 N 1.61 3.18 0.28 5.22 0.40 0.69 -4.99 117.98 124.38 1ios s PHE 3 Ca 0.04 1.46 -0.07 0.00 -0.60 0.00 0.00 56.93 57.75 1ios s PHE 3 Cb -0.18 -2.90 -0.06 0.00 0.51 0.00 0.00 43.02 40.39 1ios s PHE 3 CO 0.07 -0.96 0.57 0.20 0.70 0.00 0.00 175.22 175.81 1ios s GLY 4 N -3.25 2.02 0.12 4.36 0.00 -1.26 -4.87 107.32 104.44 1ios s GLY 4 Ca 0.60 -0.42 -0.31 0.00 0.00 0.00 0.00 44.72 44.60 1ios s GLY 4 CO 0.42 -0.29 1.58 -0.09 0.00 0.00 0.00 173.10 174.72 1ios h ARG 5 N 1.95 -0.54 -0.03 2.90 2.43 -1.97 0.35 114.38 119.48 1ios h ARG 5 Ca -0.47 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1ios h ARG 5 Cb 1.18 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1ios h ARG 5 CO 0.67 -0.36 -0.43 0.00 -1.51 0.00 0.00 179.97 178.34 1ios h GLU 7 N 0.05 0.23 -0.47 0.00 4.81 -1.85 -1.86 114.58 115.49 1ios h GLU 7 Ca 0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1ios h GLU 7 Cb 0.79 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1ios h GLU 7 CO 0.06 0.34 -0.02 1.25 -0.73 0.00 0.00 179.01 179.91 1ios h LEU 8 N 0.08 0.76 -0.67 1.64 5.85 -0.75 -1.66 115.31 120.56 1ios h LEU 8 Ca 0.05 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ios h LEU 8 Cb 0.20 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1ios h LEU 8 CO -0.00 0.84 0.43 0.00 -0.34 0.00 0.00 178.44 179.37 1ios h ALA 9 N 1.24 0.86 -0.49 1.25 0.00 -1.14 0.03 119.26 121.02 1ios h ALA 9 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1ios h ALA 9 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ios h ALA 9 CO 0.02 0.23 -0.14 0.00 0.00 0.00 0.00 179.25 179.37 1ios h ALA 10 N 1.27 0.84 -0.27 0.00 0.00 -1.07 -0.75 119.26 119.27 1ios h ALA 10 Ca 0.26 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1ios h ALA 10 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ios h ALA 10 CO -0.08 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 1ios h ALA 11 N 1.02 0.38 -0.63 0.00 0.00 -0.91 -1.51 119.26 117.60 1ios h ALA 11 Ca 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ios h ALA 11 Cb 0.68 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ios h ALA 11 CO 0.05 0.26 0.42 0.74 0.00 0.00 0.00 179.25 180.71 1ios h PHE 12 N 0.30 0.79 -0.12 0.00 0.05 -0.88 -1.38 116.94 115.70 1ios h PHE 12 Ca 0.06 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.86 1ios h PHE 12 Cb 0.66 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.34 1ios h PHE 12 CO 0.06 0.49 0.06 -0.22 -0.18 0.00 0.00 178.31 178.53 1ios h LYS 13 N 0.85 0.17 -0.22 1.51 3.64 -1.06 -1.52 116.57 119.93 1ios h LYS 13 Ca 0.23 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1ios h LYS 13 Cb -0.09 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1ios h LYS 13 CO -0.05 0.20 0.15 -0.09 -2.27 0.00 0.00 179.45 177.39 1ios h ARG 14 N 0.09 0.16 -0.17 1.90 2.43 -1.08 0.03 114.38 117.74 1ios h ARG 14 Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1ios h ARG 14 Cb 0.08 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1ios h ARG 14 CO -0.01 0.11 0.00 0.72 -1.51 0.00 0.00 179.97 179.28 1ios n HIS 15 N -4.50 0.23 -1.44 2.20 8.25 -0.54 -4.92 115.22 114.51 1ios n HIS 15 Ca 0.01 -0.11 -0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1ios n HIS 15 Cb 0.18 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ios n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ios n GLY 16 N 0.91 0.38 0.10 -1.41 0.00 -0.00 -4.98 105.19 100.19 1ios n GLY 16 Ca 0.10 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 1ios n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ios h LEU 17 N 0.00 0.00 -9.14 0.99 3.38 -1.45 -3.41 115.31 105.68 1ios h LEU 17 Ca -0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 1ios h LEU 17 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ios h LEU 17 CO 0.01 0.67 1.31 -0.67 0.09 0.00 0.00 178.44 179.85 1ios n ASP 18 N -3.07 3.53 -1.22 -0.43 2.03 -1.26 -0.78 116.55 115.35 1ios n ASP 18 Ca -0.06 0.63 -0.15 0.00 0.52 0.00 0.00 54.79 55.73 1ios n ASP 18 Cb 0.85 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.71 1ios n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ios n ASN 19 N 8.98 -4.80 -4.69 1.67 4.13 0.33 -4.89 115.26 115.99 1ios n ASN 19 Ca 0.26 0.34 -0.42 0.00 1.68 0.00 0.00 54.58 56.43 1ios n ASN 19 Cb 0.38 -3.67 -0.03 0.00 -1.54 0.00 0.00 39.78 34.93 1ios n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ios s TYR 20 N -2.58 2.73 -1.90 3.10 5.04 0.04 -1.75 117.35 122.02 1ios s TYR 20 Ca 0.00 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 1ios s TYR 20 Cb 0.00 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1ios s TYR 20 CO 0.00 -2.73 0.00 0.54 -1.34 0.00 0.00 175.55 172.02 1ios n ARG 21 N 5.57 -1.54 -0.71 4.97 5.12 -1.26 -1.78 116.66 127.04 1ios n ARG 21 Ca 0.14 1.08 0.00 0.00 -1.93 0.00 0.00 57.85 57.13 1ios n ARG 21 Cb 0.43 -5.60 0.00 0.00 -1.16 0.00 0.00 32.46 26.13 1ios n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ios n GLY 22 N -0.80 0.81 3.48 -0.13 0.00 -0.72 -5.02 105.19 102.80 1ios n GLY 22 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1ios n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ios s TYR 23 N -3.11 3.22 0.85 1.61 2.02 -0.73 -4.88 117.35 116.32 1ios s TYR 23 Ca 0.00 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 56.12 1ios s TYR 23 Cb 0.00 -2.68 0.11 0.00 -0.40 0.00 0.00 41.96 38.99 1ios s TYR 23 CO 0.00 -0.60 1.15 -1.54 -1.57 0.00 0.00 175.55 172.98 1ios s SER 24 N 1.73 3.51 0.30 2.29 1.04 -1.26 -0.52 113.70 120.79 1ios s SER 24 Ca 0.08 2.14 0.06 0.00 0.48 0.00 0.00 55.95 58.70 1ios s SER 24 Cb -0.18 -2.56 0.76 0.00 0.10 0.00 0.00 66.02 64.13 1ios s SER 24 CO 0.11 -2.71 1.74 0.25 0.98 0.00 0.00 173.24 173.61 1ios h LEU 25 N -1.41 0.59 -1.79 2.42 5.85 -1.90 -0.92 115.31 118.15 1ios h LEU 25 Ca -0.44 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1ios h LEU 25 Cb 1.27 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1ios h LEU 25 CO 0.45 0.13 0.25 1.23 -0.34 0.00 0.00 178.44 180.16 1ios h GLY 26 N 0.58 0.31 0.86 3.75 0.00 -1.91 -1.90 103.07 104.76 1ios h GLY 26 Ca 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1ios h GLY 26 CO -0.45 0.08 0.05 3.43 0.00 0.00 0.00 176.54 179.65 1ios h ASN 27 N 0.26 0.21 -0.71 0.19 2.35 -1.40 -1.33 115.58 115.15 1ios h ASN 27 Ca 0.16 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1ios h ASN 27 Cb 0.32 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1ios h ASN 27 CO -0.03 0.34 0.28 -0.50 -1.65 0.00 0.00 177.43 175.86 1ios h TRP 28 N 0.07 1.09 -0.36 1.19 4.06 -1.48 -0.10 115.95 120.42 1ios h TRP 28 Ca 0.05 -0.09 -0.16 0.00 2.06 0.00 0.00 58.89 60.76 1ios h TRP 28 Cb 0.20 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 1ios h TRP 28 CO -0.01 0.84 -0.39 0.28 -3.56 0.00 0.00 178.44 175.60 1ios h VAL 29 N 1.02 1.28 -0.31 1.49 2.07 -1.35 -1.81 116.25 118.63 1ios h VAL 29 Ca 0.24 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 1ios h VAL 29 Cb 0.22 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1ios h VAL 29 CO -0.02 0.52 0.07 0.00 0.02 0.00 0.00 177.57 178.16 1ios h ALA 31 N 0.90 0.38 -0.35 0.00 0.00 -0.96 -2.33 119.26 116.89 1ios h ALA 31 Ca 0.10 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ios h ALA 31 Cb 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1ios h ALA 31 CO 0.00 -0.24 0.16 0.00 0.00 0.00 0.00 179.25 179.17 1ios h ALA 32 N 1.17 0.43 -0.09 0.00 0.00 -1.15 0.58 119.26 120.20 1ios h ALA 32 Ca 0.13 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1ios h ALA 32 Cb 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1ios h ALA 32 CO -0.11 -0.22 -0.35 -0.22 0.00 0.00 0.00 179.25 178.35 1ios h LYS 33 N 0.33 -0.44 0.00 0.00 1.63 -0.94 -0.39 116.57 116.76 1ios h LYS 33 Ca 0.15 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1ios h LYS 33 Cb 0.09 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1ios h LYS 33 CO -0.13 -0.29 -0.06 0.74 -3.45 0.00 0.00 179.45 176.26 1ios h PHE 34 N -0.45 0.00 0.12 1.91 0.04 -1.30 0.13 116.94 117.38 1ios h PHE 34 Ca 0.08 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.65 1ios h PHE 34 Cb 0.58 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.74 1ios h PHE 34 CO -0.41 0.06 -0.94 0.93 -0.60 0.00 0.00 178.31 177.34 1ios h GLU 35 N 0.00 0.24 0.00 1.51 4.39 -0.67 -3.42 114.58 116.63 1ios h GLU 35 Ca -0.00 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1ios h GLU 35 Cb 1.02 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1ios h GLU 35 CO 0.01 1.20 0.00 -1.13 -1.16 0.00 0.00 179.01 177.93 1ios n SER 36 N -4.12 0.37 -2.40 1.42 3.41 -0.20 -4.85 113.62 107.25 1ios n SER 36 Ca -0.18 -0.80 -0.19 0.00 -0.26 0.00 0.00 58.87 57.45 1ios n SER 36 Cb 0.81 0.14 0.02 0.00 -0.26 0.00 0.00 64.21 64.92 1ios n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ios n ASN 37 N -0.14 -5.40 -1.06 4.04 5.15 0.47 -2.35 115.26 115.97 1ios n ASN 37 Ca 0.00 -0.16 -0.13 0.00 -0.60 0.00 0.00 54.58 53.69 1ios n ASN 37 Cb 0.09 -4.32 -0.05 0.00 -0.53 0.00 0.00 39.78 34.96 1ios n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ios n PHE 38 N -4.22 -0.07 -3.67 1.20 3.72 -1.21 -4.84 117.46 108.37 1ios n PHE 38 Ca -0.14 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.88 1ios n PHE 38 Cb 0.63 -2.43 -0.12 0.00 -0.94 0.00 0.00 39.48 36.61 1ios n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ios s ASN 39 N -2.81 5.51 0.52 4.37 2.47 -0.99 -0.22 114.94 123.79 1ios s ASN 39 Ca 0.00 -0.39 0.28 0.00 0.42 0.00 0.00 52.86 53.18 1ios s ASN 39 Cb 0.00 -2.00 1.43 0.00 -1.45 0.00 0.00 41.25 39.23 1ios s ASN 39 CO 0.00 -0.14 2.05 0.71 -3.72 0.00 0.00 177.10 176.00 1ios h THR 40 N 5.60 0.49 -0.17 -5.21 1.35 -1.41 -2.82 112.91 110.74 1ios h THR 40 Ca -0.34 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1ios h THR 40 Cb 1.16 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1ios h THR 40 CO 0.60 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 175.98 1ios n GLN 41 N -3.54 1.75 -2.08 4.72 6.02 -1.26 -3.96 117.38 119.03 1ios n GLN 41 Ca -0.01 -1.13 -0.41 0.00 -0.01 0.00 0.00 57.00 55.43 1ios n GLN 41 Cb 0.26 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 1ios n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ios s ALA 42 N -1.78 3.60 0.04 -1.58 0.00 -1.06 -4.82 121.76 116.15 1ios s ALA 42 Ca 0.32 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.56 1ios s ALA 42 Cb 0.18 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1ios s ALA 42 CO 0.26 -0.67 -0.08 0.95 0.00 0.00 0.00 175.76 176.22 1ios s THR 43 N 0.12 0.56 -0.19 0.00 -4.23 -1.26 -0.71 115.64 109.93 1ios s THR 43 Ca 0.59 -1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1ios s THR 43 Cb -0.40 -0.62 0.08 0.00 1.34 0.00 0.00 72.50 72.90 1ios s THR 43 CO 0.41 -0.38 0.42 0.20 -0.54 0.00 0.00 174.62 174.73 1ios s ASN 44 N -1.58 -0.37 0.23 3.99 0.01 -0.87 -4.97 114.94 111.38 1ios s ASN 44 Ca -0.10 0.95 -0.14 0.00 -0.71 0.00 0.00 52.86 52.87 1ios s ASN 44 Cb -0.10 1.10 -0.08 0.00 0.41 0.00 0.00 41.25 42.58 1ios s ASN 44 CO 0.00 -0.22 0.62 -0.60 -1.51 0.00 0.00 177.10 175.40 1ios s ARG 45 N 2.08 3.97 0.32 -0.60 3.52 -1.26 0.01 118.95 126.99 1ios s ARG 45 Ca -0.05 0.53 0.08 0.00 -0.13 0.00 0.00 55.73 56.15 1ios s ARG 45 Cb -0.10 -2.72 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 1ios s ARG 45 CO -0.13 0.34 0.24 -0.80 -0.81 0.00 0.00 175.30 174.14 1ios s ASN 46 N -2.03 5.18 0.48 -2.12 0.01 0.35 -4.94 114.94 111.87 1ios s ASN 46 Ca 0.45 -0.51 0.15 0.00 -0.71 0.00 0.00 52.86 52.24 1ios s ASN 46 Cb -0.13 -0.99 1.12 0.00 0.41 0.00 0.00 41.25 41.66 1ios s ASN 46 CO 0.20 -0.28 2.06 0.71 -1.51 0.00 0.00 177.10 178.27 1ios h THR 47 N 1.37 1.07 0.00 1.60 1.35 -1.99 -1.26 112.91 115.05 1ios h THR 47 Ca -0.45 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1ios h THR 47 Cb 1.25 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1ios h THR 47 CO 0.60 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 1ios n ASP 48 N -4.40 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.13 1ios n ASP 48 Ca -0.03 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1ios n ASP 48 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1ios n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ios n GLY 49 N 0.54 1.89 3.91 6.12 0.00 -0.48 -5.02 105.19 112.15 1ios n GLY 49 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1ios n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ios s SER 50 N -3.26 4.27 0.02 1.61 1.04 -1.26 -4.78 113.70 111.33 1ios s SER 50 Ca 0.00 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.07 1ios s SER 50 Cb 0.00 -1.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.05 1ios s SER 50 CO 0.00 -2.03 -0.05 -0.89 0.98 0.00 0.00 173.24 171.25 1ios s THR 51 N -3.60 0.34 -0.11 2.02 2.01 -1.26 -0.49 115.64 114.54 1ios s THR 51 Ca 0.64 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 1ios s THR 51 Cb -0.10 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1ios s THR 51 CO 0.49 -0.23 0.19 -1.81 -0.69 0.00 0.00 174.62 172.57 1ios s ASP 52 N -0.97 6.44 -0.05 3.53 1.01 0.10 -1.26 116.67 125.48 1ios s ASP 52 Ca -0.07 0.53 0.04 0.00 0.71 0.00 0.00 52.55 53.76 1ios s ASP 52 Cb -0.07 -2.11 -0.00 0.00 1.01 0.00 0.00 42.92 41.75 1ios s ASP 52 CO -0.00 0.36 -0.18 -0.31 0.21 0.00 0.00 175.17 175.24 1ios s TYR 53 N -0.83 1.85 0.00 4.23 1.51 0.28 -2.04 117.35 122.35 1ios s TYR 53 Ca 0.16 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1ios s TYR 53 Cb -0.13 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1ios s TYR 53 CO 0.05 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.71 1ios n GLY 54 N 3.16 -2.04 0.40 0.71 0.00 0.11 -1.58 105.19 105.96 1ios n GLY 54 Ca -0.18 -1.41 0.20 0.00 0.00 0.00 0.00 46.02 44.62 1ios n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ios h ILE 55 N 0.00 0.70 -0.19 -0.61 6.09 -1.68 -0.84 117.51 120.97 1ios h ILE 55 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1ios h ILE 55 Cb 0.00 0.36 0.00 0.00 0.47 0.00 0.00 36.82 37.65 1ios h ILE 55 CO 0.00 0.06 0.00 0.18 -3.07 0.00 0.00 178.15 175.32 1ios n LEU 56 N -4.45 2.87 -3.92 2.19 4.77 -1.26 -4.07 117.00 113.13 1ios n LEU 56 Ca 0.17 -2.43 -0.36 0.00 -0.03 0.00 0.00 56.01 53.35 1ios n LEU 56 Cb 0.68 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1ios n LEU 56 CO 0.33 0.66 -0.17 0.00 -1.33 0.00 0.00 177.39 176.88 1ios n GLN 57 N -0.29 -1.19 -2.52 3.23 1.13 -0.32 -4.91 117.38 112.51 1ios n GLN 57 Ca 0.12 0.28 -0.42 0.00 -1.94 0.00 0.00 57.00 55.05 1ios n GLN 57 Cb 0.54 -3.58 -0.03 0.00 0.11 0.00 0.00 30.24 27.28 1ios n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ios s ILE 58 N -3.65 4.20 0.24 5.09 1.01 -0.61 -4.38 121.20 123.10 1ios s ILE 58 Ca 0.37 1.66 -0.30 0.00 0.00 0.00 0.00 60.65 62.38 1ios s ILE 58 Cb -0.16 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 1ios s ILE 58 CO 0.92 0.18 0.95 0.21 0.00 0.00 0.00 174.94 177.20 1ios s ASN 59 N 0.68 7.62 0.09 3.58 3.84 -1.26 -0.55 114.94 128.94 1ios s ASN 59 Ca 0.54 1.97 0.25 0.00 0.21 0.00 0.00 52.86 55.84 1ios s ASN 59 Cb -0.27 -2.61 0.98 0.00 -0.55 0.00 0.00 41.25 38.80 1ios s ASN 59 CO 0.30 0.13 1.78 -1.54 -2.79 0.00 0.00 177.10 174.99 1ios n SER 60 N 1.48 0.32 0.14 -4.21 3.41 -0.39 -2.44 113.62 111.94 1ios n SER 60 Ca -0.02 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.12 1ios n SER 60 Cb 0.47 -0.63 0.20 0.00 -0.26 0.00 0.00 64.21 63.99 1ios n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ios h ARG 61 N 0.00 0.04 0.00 4.33 2.43 -1.85 -3.40 114.38 115.93 1ios h ARG 61 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ios h ARG 61 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1ios h ARG 61 CO 0.00 0.59 -0.81 0.91 -1.51 0.00 0.00 179.97 179.15 1ios n TRP 62 N -3.88 0.00 -0.08 2.20 7.02 -1.23 -1.16 117.44 120.31 1ios n TRP 62 Ca -0.01 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.32 1ios n TRP 62 Cb 0.57 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.32 1ios n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ios n TRP 63 N -2.12 0.37 -4.22 -5.99 7.02 -1.02 0.25 117.44 111.73 1ios n TRP 63 Ca 0.00 0.10 -0.13 0.00 -1.02 0.00 0.00 57.50 56.46 1ios n TRP 63 Cb 0.41 -1.06 -0.10 0.00 -2.42 0.00 0.00 31.31 28.14 1ios n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ios s ASN 65 N -3.14 5.25 0.00 0.00 2.47 -0.46 -4.39 114.94 114.68 1ios s ASN 65 Ca 0.22 -0.17 0.08 0.00 0.42 0.00 0.00 52.86 53.41 1ios s ASN 65 Cb 0.06 -1.94 0.12 0.00 -1.45 0.00 0.00 41.25 38.04 1ios s ASN 65 CO 0.02 -0.02 0.91 -0.90 -3.72 0.00 0.00 177.10 173.39 1ios n ASP 66 N 4.83 2.03 0.00 -4.21 5.68 -1.26 -0.91 116.55 122.71 1ios n ASP 66 Ca -0.16 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1ios n ASP 66 Cb 0.52 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1ios n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ios n GLY 67 N 0.37 0.34 0.68 6.12 0.00 -1.26 -4.80 105.19 106.64 1ios n GLY 67 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1ios n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ios n ARG 68 N -1.42 0.00 -3.92 1.61 1.85 -1.26 -4.98 116.66 108.54 1ios n ARG 68 Ca 0.00 -1.14 -0.30 0.00 -1.00 0.00 0.00 57.85 55.41 1ios n ARG 68 Cb 0.17 -0.39 -0.14 0.00 -1.05 0.00 0.00 32.46 31.06 1ios n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ios s THR 69 N 0.00 2.32 -0.11 8.89 2.01 -1.26 -4.91 115.64 122.58 1ios s THR 69 Ca 0.06 -3.01 -0.37 0.00 0.31 0.00 0.00 61.69 58.68 1ios s THR 69 Cb 0.07 -2.63 -0.14 0.00 0.01 0.00 0.00 72.50 69.81 1ios s THR 69 CO -0.03 -0.78 1.71 -2.65 -0.69 0.00 0.00 174.62 172.19 1ios n PRO 70 N 3.40 1.63 -0.70 4.92 -0.02 -1.26 -1.31 135.00 141.66 1ios n PRO 70 Ca 0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1ios n PRO 70 Cb 0.34 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1ios n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ios n GLY 71 N 3.93 0.62 3.75 -1.23 0.00 -1.26 -5.03 105.19 105.97 1ios n GLY 71 Ca 0.23 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1ios n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ios s SER 72 N -2.29 5.43 -0.08 1.61 0.15 -0.42 -4.92 113.70 113.16 1ios s SER 72 Ca 0.00 2.69 0.20 0.00 0.70 0.00 0.00 55.95 59.54 1ios s SER 72 Cb 0.00 -2.63 -0.28 0.00 -1.71 0.00 0.00 66.02 61.40 1ios s SER 72 CO 0.00 -1.46 0.36 0.54 1.20 0.00 0.00 173.24 173.88 1ios n ARG 73 N -0.92 0.67 -3.81 5.44 1.74 -0.31 -4.97 116.66 114.50 1ios n ARG 73 Ca 0.10 -0.08 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 1ios n ARG 73 Cb 0.45 -1.55 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1ios n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ios n ASN 74 N -2.52 -2.48 0.30 0.55 5.15 -0.81 -4.90 115.26 110.54 1ios n ASN 74 Ca -0.16 -0.99 0.18 0.00 -0.60 0.00 0.00 54.58 53.02 1ios n ASN 74 Cb 0.83 -3.32 0.87 0.00 -0.53 0.00 0.00 39.78 37.63 1ios n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ios h LEU 75 N -1.87 0.00 -1.19 1.20 3.38 -0.11 -1.52 115.31 115.20 1ios h LEU 75 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1ios h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1ios h LEU 75 CO 0.56 0.03 -0.09 0.00 0.09 0.00 0.00 178.44 179.02 1ios n ASN 77 N 0.38 -5.02 -3.58 0.00 3.02 -0.57 -4.99 115.26 104.50 1ios n ASN 77 Ca 0.15 -0.94 -0.16 0.00 -0.03 0.00 0.00 54.58 53.60 1ios n ASN 77 Cb 0.44 -3.78 -0.06 0.00 -0.61 0.00 0.00 39.78 35.77 1ios n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1ios s ILE 78 N -3.49 0.02 0.29 2.41 -4.36 -1.26 -5.07 121.20 109.74 1ios s ILE 78 Ca 0.41 -0.17 -0.29 0.00 -0.26 0.00 0.00 60.65 60.35 1ios s ILE 78 Cb -0.13 -0.91 -0.09 0.00 1.25 0.00 0.00 42.46 42.58 1ios s ILE 78 CO 0.83 -0.09 1.06 -2.16 0.24 0.00 0.00 174.94 174.82 1ios s PRO 79 N -1.59 4.61 0.53 0.37 0.04 -1.26 -1.35 135.00 136.35 1ios s PRO 79 Ca -0.10 1.68 0.26 0.00 0.04 0.00 0.00 61.00 62.89 1ios s PRO 79 Cb -0.01 -3.09 1.41 0.00 0.04 0.00 0.00 34.50 32.85 1ios s PRO 79 CO 0.05 0.22 1.98 0.00 0.04 0.00 0.00 177.00 179.30 1ios h SER 81 N 0.00 0.00 0.30 0.00 4.64 -1.91 -0.75 113.55 115.84 1ios h SER 81 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1ios h SER 81 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ios h SER 81 CO -0.00 0.04 -0.08 0.00 -0.87 0.00 0.00 176.83 175.92 1ios h ALA 82 N 1.96 1.28 0.00 5.18 0.00 -1.64 -1.42 119.26 124.62 1ios h ALA 82 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ios h ALA 82 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ios h ALA 82 CO 0.01 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1ios n LEU 83 N -3.58 0.00 -0.92 0.00 4.77 -0.29 -3.31 117.00 113.67 1ios n LEU 83 Ca -0.02 0.16 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1ios n LEU 83 Cb 0.20 -0.16 0.15 0.00 -2.33 0.00 0.00 43.42 41.28 1ios n LEU 83 CO 0.28 -0.01 0.63 0.18 -1.33 0.00 0.00 177.39 177.14 1ios n LEU 84 N -1.16 3.02 -4.76 2.23 4.77 -0.53 -4.06 117.00 116.51 1ios n LEU 84 Ca 0.18 -1.36 -0.34 0.00 -0.03 0.00 0.00 56.01 54.45 1ios n LEU 84 Cb 0.18 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1ios n LEU 84 CO 0.20 0.62 0.77 -0.55 -1.33 0.00 0.00 177.39 177.11 1ios s SER 85 N -1.42 5.10 0.56 -1.43 0.15 -1.21 -4.23 113.70 111.22 1ios s SER 85 Ca 0.30 2.15 0.34 0.00 0.70 0.00 0.00 55.95 59.44 1ios s SER 85 Cb 0.18 -2.57 1.48 0.00 -1.71 0.00 0.00 66.02 63.40 1ios s SER 85 CO 0.26 -1.64 2.03 0.77 1.20 0.00 0.00 173.24 175.86 1ios h SER 86 N 0.35 0.00 -3.55 5.45 4.64 -1.94 -3.38 113.55 115.12 1ios h SER 86 Ca -0.48 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.22 1ios h SER 86 Cb 1.27 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.23 1ios h SER 86 CO 0.54 0.02 0.14 -0.62 -0.87 0.00 0.00 176.83 176.04 1ios s ASP 87 N -5.67 6.47 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.15 1ios s ASP 87 Ca 0.00 0.32 0.10 0.00 -0.52 0.00 0.00 52.55 52.46 1ios s ASP 87 Cb 0.10 -2.33 0.33 0.00 -1.46 0.00 0.00 42.92 39.56 1ios s ASP 87 CO 0.53 -0.51 1.26 2.30 0.52 0.00 0.00 175.17 179.27 1ios n ILE 88 N 5.46 0.33 -0.10 4.11 -5.35 -1.26 -4.44 119.36 118.10 1ios n ILE 88 Ca -0.01 -0.34 -0.06 0.00 -0.27 0.00 0.00 62.75 62.07 1ios n ILE 88 Cb 0.49 0.18 0.01 0.00 -1.74 0.00 0.00 39.64 38.58 1ios n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ios h THR 89 N 1.57 0.68 -0.79 7.28 2.02 -1.93 0.41 112.91 122.14 1ios h THR 89 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1ios h THR 89 Cb 0.36 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1ios h THR 89 CO 0.00 0.01 0.35 0.00 0.37 0.00 0.00 175.52 176.25 1ios h ALA 90 N 1.34 1.02 -0.59 6.16 0.00 -1.87 -0.16 119.26 125.16 1ios h ALA 90 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ios h ALA 90 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ios h ALA 90 CO -0.34 0.61 0.26 0.77 0.00 0.00 0.00 179.25 180.55 1ios h SER 91 N 1.13 0.79 -0.38 0.00 0.02 -1.70 -1.76 113.55 111.65 1ios h SER 91 Ca 0.27 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1ios h SER 91 Cb 0.16 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1ios h SER 91 CO -0.03 0.72 0.07 0.58 -1.14 0.00 0.00 176.83 177.04 1ios h VAL 92 N 0.81 1.23 -0.70 2.27 2.07 -0.40 -0.67 116.25 120.86 1ios h VAL 92 Ca 0.20 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1ios h VAL 92 Cb 0.16 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1ios h VAL 92 CO -0.02 0.28 0.44 0.78 0.02 0.00 0.00 177.57 179.07 1ios h ASN 93 N 0.48 0.83 -0.43 0.57 -0.26 -0.89 -1.37 115.58 114.51 1ios h ASN 93 Ca 0.12 -0.05 -0.12 0.00 -0.56 0.00 0.00 56.30 55.69 1ios h ASN 93 Cb 0.34 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1ios h ASN 93 CO 0.01 0.63 -0.21 0.00 -1.06 0.00 0.00 177.43 176.80 1ios h ALA 95 N 0.83 1.43 -0.61 0.00 0.00 -0.69 -1.05 119.26 119.16 1ios h ALA 95 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ios h ALA 95 Cb 0.78 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ios h ALA 95 CO 0.06 0.49 0.39 0.87 0.00 0.00 0.00 179.25 181.07 1ios h LYS 96 N 0.95 0.81 -0.17 0.00 1.57 -1.15 0.47 116.57 119.05 1ios h LYS 96 Ca 0.25 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.76 1ios h LYS 96 Cb -0.03 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.11 1ios h LYS 96 CO -0.05 0.55 -0.73 0.87 -0.57 0.00 0.00 179.45 179.52 1ios h LYS 97 N 0.83 0.74 0.18 3.15 1.57 -1.14 -2.88 116.57 119.02 1ios h LYS 97 Ca 0.22 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1ios h LYS 97 Cb -0.07 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ios h LYS 97 CO -0.05 1.19 -0.08 0.82 -0.57 0.00 0.00 179.45 180.76 1ios h ILE 98 N 0.52 0.91 0.00 1.86 2.04 -0.61 -2.59 117.51 119.65 1ios h ILE 98 Ca -0.04 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1ios h ILE 98 Cb 1.34 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1ios h ILE 98 CO 0.15 0.09 -0.04 1.62 0.00 0.00 0.00 178.15 179.98 1ios h VAL 99 N -0.43 0.28 -0.01 1.67 3.04 -1.02 0.15 116.25 119.93 1ios h VAL 99 Ca -0.02 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1ios h VAL 99 Cb 0.34 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1ios h VAL 99 CO 0.04 0.03 -0.09 -1.20 -1.01 0.00 0.00 177.57 175.35 1ios n SER 100 N -3.42 1.17 0.00 3.17 7.64 -1.08 -3.59 113.62 117.52 1ios n SER 100 Ca -0.02 -1.20 0.09 0.00 1.01 0.00 0.00 58.87 58.74 1ios n SER 100 Cb 0.15 0.03 0.42 0.00 -1.01 0.00 0.00 64.21 63.81 1ios n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ios n ASP 101 N -0.25 0.00 0.00 6.43 2.03 0.04 -4.89 116.55 119.92 1ios n ASP 101 Ca 0.17 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1ios n ASP 101 Cb 0.33 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1ios n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ios n GLY 102 N 0.23 1.86 0.68 0.27 0.00 -1.26 -4.91 105.19 102.07 1ios n GLY 102 Ca 0.07 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1ios n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ios n ASN 103 N 0.00 2.27 0.00 1.61 4.13 -1.26 -5.06 115.26 116.95 1ios n ASN 103 Ca 0.00 -1.67 0.00 0.00 1.68 0.00 0.00 54.58 54.59 1ios n ASN 103 Cb 0.00 0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1ios n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ios n GLY 104 N 1.33 2.26 0.00 7.41 0.00 -1.24 -2.48 105.19 112.47 1ios n GLY 104 Ca 0.14 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1ios n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ios n MET 105 N 11.87 0.63 0.09 1.61 2.81 -1.26 -3.08 117.12 129.79 1ios n MET 105 Ca 0.00 0.01 0.08 0.00 -1.81 0.00 0.00 57.70 55.98 1ios n MET 105 Cb 0.00 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.39 1ios n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ios n ASN 106 N -1.15 0.36 0.27 7.83 3.02 -1.04 -1.41 115.26 123.15 1ios n ASN 106 Ca 0.17 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.48 1ios n ASN 106 Cb 0.16 -0.69 0.78 0.00 -0.61 0.00 0.00 39.78 39.42 1ios n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ios h ALA 107 N 2.17 1.41 -2.50 5.41 0.00 -1.73 -3.38 119.26 120.64 1ios h ALA 107 Ca 0.00 -0.07 -0.73 0.00 0.00 0.00 0.00 54.91 54.11 1ios h ALA 107 Cb 0.15 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.70 1ios h ALA 107 CO 0.00 0.10 -0.41 -1.58 0.00 0.00 0.00 179.25 177.36 1ios s TRP 108 N -4.40 3.25 0.30 0.00 0.51 -0.50 -4.97 118.94 113.14 1ios s TRP 108 Ca -0.04 -0.85 0.02 0.00 -2.12 0.00 0.00 56.10 53.11 1ios s TRP 108 Cb 0.14 -2.81 0.58 0.00 -0.81 0.00 0.00 33.47 30.57 1ios s TRP 108 CO 0.58 -0.70 1.88 -0.24 -0.51 0.00 0.00 176.95 177.96 1ios h VAL 109 N 5.75 0.97 -0.26 4.03 3.04 -1.85 -0.93 116.25 127.00 1ios h VAL 109 Ca -0.27 -0.33 -0.09 0.00 -1.01 0.00 0.00 66.70 65.00 1ios h VAL 109 Cb 1.11 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 1ios h VAL 109 CO 0.78 0.18 -0.22 0.00 -1.01 0.00 0.00 177.57 177.29 1ios h ALA 110 N 1.53 1.14 0.05 3.17 0.00 -1.93 -0.26 119.26 122.97 1ios h ALA 110 Ca 0.44 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ios h ALA 110 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ios h ALA 110 CO -0.20 0.54 -0.03 2.35 0.00 0.00 0.00 179.25 181.91 1ios h TRP 111 N 0.43 -0.07 -0.60 0.00 7.01 -1.52 0.15 115.95 121.36 1ios h TRP 111 Ca 0.07 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.12 1ios h TRP 111 Cb 0.62 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.65 1ios h TRP 111 CO 0.02 0.24 0.31 -0.09 -2.79 0.00 0.00 178.44 176.13 1ios h ARG 112 N -0.38 0.57 0.00 2.65 2.43 -1.12 0.28 114.38 118.81 1ios h ARG 112 Ca -0.01 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1ios h ARG 112 Cb 0.34 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1ios h ARG 112 CO 0.01 0.38 -0.79 -0.91 -1.51 0.00 0.00 179.97 177.15 1ios h ASN 113 N 0.59 0.00 0.00 -3.80 2.35 -0.96 -3.37 115.58 110.39 1ios h ASN 113 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1ios h ASN 113 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ios h ASN 113 CO -0.18 0.33 -0.09 0.54 -1.65 0.00 0.00 177.43 176.38 1ios n ARG 114 N -2.99 4.73 -0.04 0.81 1.74 0.51 -4.87 116.66 116.55 1ios n ARG 114 Ca -0.01 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 1ios n ARG 114 Cb 0.69 -0.43 -0.04 0.00 -1.02 0.00 0.00 32.46 31.66 1ios n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ios n LYS 116 N -3.00 1.43 -1.21 0.00 4.81 0.76 -1.60 118.16 119.36 1ios n LYS 116 Ca -0.16 0.52 -0.07 0.00 -0.87 0.00 0.00 58.31 57.73 1ios n LYS 116 Cb 0.64 -2.22 -0.03 0.00 0.02 0.00 0.00 35.03 33.44 1ios n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ios n GLY 117 N 3.42 0.95 3.76 3.14 0.00 -1.26 -4.97 105.19 110.24 1ios n GLY 117 Ca 0.21 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 1ios n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ios s THR 118 N -2.27 1.85 -1.25 2.61 -4.23 -0.62 -5.02 115.64 106.70 1ios s THR 118 Ca 0.00 -1.77 -0.17 0.00 -1.18 0.00 0.00 61.69 58.57 1ios s THR 118 Cb 0.00 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.32 1ios s THR 118 CO 0.00 0.00 1.63 -0.62 -0.54 0.00 0.00 174.62 175.09 1ios s ASP 119 N -3.95 6.88 0.48 3.99 2.15 -1.26 -4.77 116.67 120.19 1ios s ASP 119 Ca 0.30 -2.53 0.33 0.00 0.43 0.00 0.00 52.55 51.08 1ios s ASP 119 Cb 0.03 -2.53 1.67 0.00 -0.30 0.00 0.00 42.92 41.79 1ios s ASP 119 CO 0.17 -1.08 2.00 -0.37 -0.17 0.00 0.00 175.17 175.72 1ios h VAL 120 N 5.41 0.00 0.00 1.11 -1.51 -1.90 -2.16 116.25 117.20 1ios h VAL 120 Ca 0.40 -0.11 -0.02 0.00 -1.23 0.00 0.00 66.70 65.73 1ios h VAL 120 Cb 0.88 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1ios h VAL 120 CO 1.40 0.00 -0.10 1.56 -1.23 0.00 0.00 177.57 179.19 1ios h GLN 121 N 0.00 0.00 -0.38 5.19 7.50 -1.88 -1.72 115.11 123.83 1ios h GLN 121 Ca 0.00 0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.26 1ios h GLN 121 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 1ios h GLN 121 CO 0.00 0.10 0.30 0.00 -1.50 0.00 0.00 178.83 177.73 1ios h ALA 122 N 1.90 2.27 0.00 3.87 0.00 -1.79 -1.77 119.26 123.75 1ios h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ios h ALA 122 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ios h ALA 122 CO 0.01 -0.49 0.00 -1.49 0.00 0.00 0.00 179.25 177.28 1ios h TRP 123 N 0.00 0.00 -0.01 0.00 4.06 -1.53 -3.01 115.95 115.47 1ios h TRP 123 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1ios h TRP 123 Cb 0.77 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1ios h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1ios n ILE 124 N -2.51 0.08 -1.72 1.49 -5.35 -0.69 -4.84 119.36 105.82 1ios n ILE 124 Ca 0.02 -0.54 -0.43 0.00 -0.27 0.00 0.00 62.75 61.53 1ios n ILE 124 Cb 0.25 0.99 -0.02 0.00 -1.74 0.00 0.00 39.64 39.12 1ios n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1ios n ARG 125 N 0.05 2.47 -0.67 6.28 0.63 -1.07 -1.73 116.66 122.62 1ios n ARG 125 Ca 0.01 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1ios n ARG 125 Cb 0.06 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.37 1ios n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ios n GLY 126 N 1.84 1.18 3.87 5.14 0.00 -1.26 -5.03 105.19 110.93 1ios n GLY 126 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1ios n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ios s ARG 128 N -2.12 3.16 0.00 0.00 3.52 -1.26 -5.13 118.95 117.12 1ios s ARG 128 Ca 0.36 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 1ios s ARG 128 Cb -0.13 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.08 1ios s ARG 128 CO 0.19 -1.67 0.41 1.28 -0.81 0.00 0.00 175.30 174.71