#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ic5 s VAL 2 N 0.00 2.67 0.49 3.15 -7.23 -1.26 -1.59 120.40 116.63 1ic5 s VAL 2 Ca 0.00 -1.12 -0.21 0.00 -1.81 0.00 0.00 61.98 58.84 1ic5 s VAL 2 Cb 0.00 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 1ic5 s VAL 2 CO 0.00 0.20 1.12 -0.36 -0.31 0.00 0.00 175.10 175.75 1ic5 s PHE 3 N 1.28 2.85 0.64 2.82 0.08 -0.71 -5.03 117.98 119.92 1ic5 s PHE 3 Ca -0.01 1.56 -0.11 0.00 0.12 0.00 0.00 56.93 58.49 1ic5 s PHE 3 Cb -0.17 -3.27 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 1ic5 s PHE 3 CO -0.06 -1.34 1.04 0.20 -0.10 0.00 0.00 175.22 174.97 1ic5 s GLY 4 N -1.63 1.64 0.13 4.36 0.00 -1.26 -4.87 107.32 105.68 1ic5 s GLY 4 Ca 0.67 -0.19 -0.23 0.00 0.00 0.00 0.00 44.72 44.97 1ic5 s GLY 4 CO 0.29 0.11 1.67 -0.09 0.00 0.00 0.00 173.10 175.08 1ic5 h ARG 5 N -0.41 -0.19 0.00 2.90 2.43 -1.96 -0.18 114.38 116.96 1ic5 h ARG 5 Ca -0.44 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1ic5 h ARG 5 Cb 1.21 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1ic5 h ARG 5 CO 0.63 -0.13 -0.44 0.00 -1.51 0.00 0.00 179.97 178.52 1ic5 h GLU 7 N 0.00 0.35 -0.52 0.00 4.81 -1.87 -0.25 114.58 117.11 1ic5 h GLU 7 Ca -0.00 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1ic5 h GLU 7 Cb 1.04 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1ic5 h GLU 7 CO 0.06 0.87 -0.11 1.25 -0.73 0.00 0.00 179.01 180.35 1ic5 h LEU 8 N -0.10 0.97 -0.37 1.64 5.85 -1.03 -0.49 115.31 121.77 1ic5 h LEU 8 Ca -0.01 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 1ic5 h LEU 8 Cb 0.89 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1ic5 h LEU 8 CO 0.06 1.08 -0.16 0.00 -0.34 0.00 0.00 178.44 179.08 1ic5 h ALA 9 N 1.00 0.52 -0.73 1.25 0.00 -0.89 0.18 119.26 120.60 1ic5 h ALA 9 Ca 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1ic5 h ALA 9 Cb 0.66 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ic5 h ALA 9 CO 0.05 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.93 1ic5 h ALA 10 N 0.81 0.96 -0.51 0.00 0.00 -0.92 -2.34 119.26 117.26 1ic5 h ALA 10 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1ic5 h ALA 10 Cb 0.70 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ic5 h ALA 10 CO 0.05 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 1ic5 h ALA 11 N 1.10 0.70 0.00 0.00 0.00 -0.25 -2.07 119.26 118.74 1ic5 h ALA 11 Ca 0.23 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ic5 h ALA 11 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ic5 h ALA 11 CO -0.00 0.59 -0.18 0.52 0.00 0.00 0.00 179.25 180.18 1ic5 h MET 12 N 0.82 0.00 -0.08 0.00 2.86 -0.57 -1.56 114.93 116.39 1ic5 h MET 12 Ca 0.13 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.56 1ic5 h MET 12 Cb 0.65 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.32 1ic5 h MET 12 CO 0.04 0.18 -0.77 -0.22 1.06 0.00 0.00 176.91 177.21 1ic5 h LYS 13 N 0.00 0.67 0.00 1.72 3.64 -1.28 -0.27 116.57 121.05 1ic5 h LYS 13 Ca -0.00 -0.61 -0.05 0.00 -1.27 0.00 0.00 60.65 58.72 1ic5 h LYS 13 Cb 0.39 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1ic5 h LYS 13 CO 0.02 1.22 -0.23 -0.09 -2.27 0.00 0.00 179.45 178.10 1ic5 h ARG 14 N 0.34 0.00 -0.20 1.90 2.43 -1.09 -1.27 114.38 116.49 1ic5 h ARG 14 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ic5 h ARG 14 Cb 1.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1ic5 h ARG 14 CO 0.16 0.23 0.00 0.72 -1.51 0.00 0.00 179.97 179.57 1ic5 n HIS 15 N -3.54 0.25 -2.26 2.20 8.25 -0.61 -4.93 115.22 114.58 1ic5 n HIS 15 Ca -0.01 -0.13 -0.06 0.00 -0.26 0.00 0.00 57.72 57.27 1ic5 n HIS 15 Cb 0.38 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1ic5 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ic5 n GLY 16 N 0.78 0.20 0.66 -1.41 0.00 -0.48 -4.95 105.19 100.00 1ic5 n GLY 16 Ca 0.06 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1ic5 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ic5 n LEU 17 N -1.06 2.35 -4.58 0.99 4.77 -0.13 -4.59 117.00 114.75 1ic5 n LEU 17 Ca -0.06 -0.88 -0.42 0.00 -0.03 0.00 0.00 56.01 54.63 1ic5 n LEU 17 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1ic5 n LEU 17 CO 0.10 0.42 1.23 -0.62 -1.33 0.00 0.00 177.39 177.19 1ic5 s ASP 18 N -2.05 6.21 -0.34 -1.43 -1.08 -1.26 -3.23 116.67 113.49 1ic5 s ASP 18 Ca 0.21 0.40 -0.01 0.00 -0.52 0.00 0.00 52.55 52.63 1ic5 s ASP 18 Cb 0.17 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1ic5 s ASP 18 CO 0.40 -1.62 0.11 -3.20 0.52 0.00 0.00 175.17 171.38 1ic5 n ASN 19 N 9.28 -2.44 -4.69 -0.34 5.15 -0.76 -4.87 115.26 116.60 1ic5 n ASN 19 Ca 0.13 -0.05 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 1ic5 n ASN 19 Cb 0.49 -1.45 -0.04 0.00 -0.53 0.00 0.00 39.78 38.25 1ic5 n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1ic5 s TYR 20 N -2.59 3.49 -1.53 1.20 5.04 -1.19 -4.14 117.35 117.63 1ic5 s TYR 20 Ca 0.05 1.38 -0.02 0.00 -2.44 0.00 0.00 57.07 56.05 1ic5 s TYR 20 Cb -0.02 -3.03 0.02 0.00 0.35 0.00 0.00 41.96 39.27 1ic5 s TYR 20 CO 0.07 -0.16 0.22 0.54 -1.34 0.00 0.00 175.55 174.88 1ic5 n ARG 21 N 4.80 -1.87 -1.16 4.97 5.12 -1.26 -1.97 116.66 125.29 1ic5 n ARG 21 Ca 0.05 0.22 -0.05 0.00 -1.93 0.00 0.00 57.85 56.13 1ic5 n ARG 21 Cb 0.49 -4.05 -0.02 0.00 -1.16 0.00 0.00 32.46 27.72 1ic5 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ic5 n GLY 22 N -2.23 0.72 3.31 -0.13 0.00 -1.26 -5.02 105.19 100.58 1ic5 n GLY 22 Ca -0.28 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1ic5 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ic5 s TYR 23 N -1.93 3.03 0.69 1.61 2.02 -0.83 -4.99 117.35 116.95 1ic5 s TYR 23 Ca 0.00 -1.02 -0.15 0.00 -0.37 0.00 0.00 57.07 55.53 1ic5 s TYR 23 Cb 0.00 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1ic5 s TYR 23 CO 0.00 -0.57 1.14 -1.54 -1.57 0.00 0.00 175.55 173.00 1ic5 s SER 24 N 1.47 4.78 0.33 2.29 1.04 -1.26 -1.82 113.70 120.52 1ic5 s SER 24 Ca 0.04 2.10 0.12 0.00 0.48 0.00 0.00 55.95 58.69 1ic5 s SER 24 Cb -0.15 -2.56 0.98 0.00 0.10 0.00 0.00 66.02 64.39 1ic5 s SER 24 CO -0.02 -1.86 1.69 0.25 0.98 0.00 0.00 173.24 174.29 1ic5 h LEU 25 N -0.13 0.55 -1.95 2.42 5.85 -1.90 -1.78 115.31 118.37 1ic5 h LEU 25 Ca -0.47 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1ic5 h LEU 25 Cb 1.26 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1ic5 h LEU 25 CO 0.52 -0.04 -0.11 1.23 -0.34 0.00 0.00 178.44 179.70 1ic5 h GLY 26 N 0.42 0.00 0.82 3.75 0.00 -1.90 -2.31 103.07 103.85 1ic5 h GLY 26 Ca 0.69 0.00 0.03 0.00 0.00 0.00 0.00 47.33 48.05 1ic5 h GLY 26 CO -0.56 0.00 0.20 3.43 0.00 0.00 0.00 176.54 179.61 1ic5 h ASN 27 N 0.00 0.29 -0.39 0.19 2.35 -1.54 0.61 115.58 117.10 1ic5 h ASN 27 Ca -0.00 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1ic5 h ASN 27 Cb 0.27 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1ic5 h ASN 27 CO 0.01 0.21 0.10 -0.50 -1.65 0.00 0.00 177.43 175.61 1ic5 h TRP 28 N 0.40 0.64 -0.04 1.19 4.06 -1.57 -1.34 115.95 119.29 1ic5 h TRP 28 Ca 0.16 -0.07 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 1ic5 h TRP 28 Cb 0.07 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 1ic5 h TRP 28 CO -0.10 0.62 0.01 0.28 -3.56 0.00 0.00 178.44 175.69 1ic5 h VAL 29 N 0.48 1.20 -0.74 1.49 2.07 -1.38 -2.14 116.25 117.22 1ic5 h VAL 29 Ca 0.12 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ic5 h VAL 29 Cb 0.29 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1ic5 h VAL 29 CO -0.00 0.17 0.49 0.00 0.02 0.00 0.00 177.57 178.24 1ic5 h ALA 31 N 1.55 0.35 -0.70 0.00 0.00 -1.06 -2.01 119.26 117.38 1ic5 h ALA 31 Ca 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ic5 h ALA 31 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ic5 h ALA 31 CO -0.07 -0.11 0.30 0.00 0.00 0.00 0.00 179.25 179.37 1ic5 h ALA 32 N 1.02 1.20 -0.22 0.00 0.00 -0.87 0.90 119.26 121.29 1ic5 h ALA 32 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ic5 h ALA 32 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ic5 h ALA 32 CO -0.01 0.59 0.14 -0.22 0.00 0.00 0.00 179.25 179.75 1ic5 h LYS 33 N 1.01 0.29 0.00 0.00 1.63 -1.11 -0.40 116.57 117.99 1ic5 h LYS 33 Ca 0.24 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1ic5 h LYS 33 Cb 0.16 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1ic5 h LYS 33 CO -0.02 0.20 -0.72 0.74 -3.45 0.00 0.00 179.45 176.20 1ic5 h PHE 34 N 0.29 0.00 0.13 1.91 -1.00 -1.10 -1.26 116.94 115.91 1ic5 h PHE 34 Ca 0.08 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.58 1ic5 h PHE 34 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1ic5 h PHE 34 CO -0.06 0.00 -1.38 0.93 -1.61 0.00 0.00 178.31 176.19 1ic5 h GLU 35 N 0.00 0.28 0.00 1.51 4.39 -0.67 -3.42 114.58 116.67 1ic5 h GLU 35 Ca 0.00 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1ic5 h GLU 35 Cb 0.96 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1ic5 h GLU 35 CO 0.00 1.23 0.00 -1.13 -1.16 0.00 0.00 179.01 177.95 1ic5 n SER 36 N -3.90 0.45 -2.44 1.42 3.41 -0.24 -4.87 113.62 107.45 1ic5 n SER 36 Ca -0.23 -1.00 -0.18 0.00 -0.26 0.00 0.00 58.87 57.20 1ic5 n SER 36 Cb 0.92 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.90 1ic5 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ic5 n ASN 37 N -0.00 -5.28 -1.24 4.04 5.15 -0.47 -2.21 115.26 115.25 1ic5 n ASN 37 Ca 0.00 -0.21 -0.16 0.00 -0.60 0.00 0.00 54.58 53.61 1ic5 n ASN 37 Cb 0.14 -4.15 -0.07 0.00 -0.53 0.00 0.00 39.78 35.17 1ic5 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ic5 n PHE 38 N -4.26 -0.01 -3.56 1.20 3.72 -1.16 -4.84 117.46 108.56 1ic5 n PHE 38 Ca -0.11 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.91 1ic5 n PHE 38 Cb 0.61 -2.80 -0.11 0.00 -0.94 0.00 0.00 39.48 36.24 1ic5 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ic5 s ASN 39 N -2.83 6.05 0.15 4.37 3.84 -0.94 -1.74 114.94 123.85 1ic5 s ASN 39 Ca 0.00 -0.01 0.18 0.00 0.21 0.00 0.00 52.86 53.25 1ic5 s ASN 39 Cb 0.00 -2.13 0.80 0.00 -0.55 0.00 0.00 41.25 39.37 1ic5 s ASN 39 CO 0.00 -0.08 1.57 0.35 -2.79 0.00 0.00 177.10 176.15 1ic5 n THR 40 N 5.07 1.00 0.50 -5.21 -2.24 -0.62 -2.79 114.28 109.99 1ic5 n THR 40 Ca -0.13 0.30 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1ic5 n THR 40 Cb 0.52 -1.18 0.15 0.00 -2.10 0.00 0.00 70.33 67.71 1ic5 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ic5 n GLN 41 N -1.92 2.14 -1.78 -0.78 1.13 -1.26 -3.95 117.38 110.96 1ic5 n GLN 41 Ca 0.02 -1.97 -0.39 0.00 -1.94 0.00 0.00 57.00 52.72 1ic5 n GLN 41 Cb 0.17 -1.43 0.04 0.00 0.11 0.00 0.00 30.24 29.13 1ic5 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ic5 s ALA 42 N -1.51 2.91 -0.03 -1.58 0.00 -1.12 -4.77 121.76 115.66 1ic5 s ALA 42 Ca 0.30 1.37 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 1ic5 s ALA 42 Cb 0.19 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1ic5 s ALA 42 CO 0.27 -1.35 0.08 0.99 0.00 0.00 0.00 175.76 175.75 1ic5 s THR 43 N -1.28 0.00 -0.08 0.00 2.01 -1.26 -0.42 115.64 114.61 1ic5 s THR 43 Ca 0.69 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 1ic5 s THR 43 Cb -0.41 -0.12 0.05 0.00 0.01 0.00 0.00 72.50 72.02 1ic5 s THR 43 CO 0.50 -0.01 0.17 0.21 -0.69 0.00 0.00 174.62 174.80 1ic5 s ASN 44 N 0.01 0.40 -0.11 3.53 2.47 -0.70 -4.97 114.94 115.58 1ic5 s ASN 44 Ca -0.00 0.35 -0.22 0.00 0.42 0.00 0.00 52.86 53.41 1ic5 s ASN 44 Cb -0.01 0.28 -0.03 0.00 -1.45 0.00 0.00 41.25 40.04 1ic5 s ASN 44 CO 0.00 -0.21 0.66 -0.60 -3.72 0.00 0.00 177.10 173.23 1ic5 s ARG 45 N 1.90 4.37 0.36 0.43 3.52 -1.26 -0.37 118.95 127.90 1ic5 s ARG 45 Ca -0.02 0.76 0.07 0.00 -0.13 0.00 0.00 55.73 56.42 1ic5 s ARG 45 Cb -0.12 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 1ic5 s ARG 45 CO -0.06 -0.00 0.51 -0.80 -0.81 0.00 0.00 175.30 174.13 1ic5 s ASN 46 N 0.87 5.87 0.15 -2.12 0.01 0.11 -4.95 114.94 114.88 1ic5 s ASN 46 Ca 0.34 -0.26 -0.23 0.00 -0.71 0.00 0.00 52.86 51.99 1ic5 s ASN 46 Cb -0.17 -1.04 0.03 0.00 0.41 0.00 0.00 41.25 40.48 1ic5 s ASN 46 CO 0.15 -0.55 1.61 0.71 -1.51 0.00 0.00 177.10 177.52 1ic5 h THR 47 N 0.80 0.30 0.00 1.60 1.35 -1.98 -2.04 112.91 112.95 1ic5 h THR 47 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1ic5 h THR 47 Cb 1.26 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1ic5 h THR 47 CO 0.50 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.87 1ic5 n ASP 48 N -5.40 0.15 0.00 5.36 3.85 -1.26 -4.79 116.55 114.46 1ic5 n ASP 48 Ca -0.01 -0.54 0.00 0.00 -0.71 0.00 0.00 54.79 53.54 1ic5 n ASP 48 Cb 0.32 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 1ic5 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ic5 n GLY 49 N 0.10 3.15 3.90 6.12 0.00 -0.77 -4.94 105.19 112.75 1ic5 n GLY 49 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ic5 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ic5 s SER 50 N -0.85 5.32 0.03 1.61 1.04 -1.26 -4.71 113.70 114.87 1ic5 s SER 50 Ca 0.00 0.93 0.06 0.00 0.48 0.00 0.00 55.95 57.42 1ic5 s SER 50 Cb 0.00 -1.73 -0.02 0.00 0.10 0.00 0.00 66.02 64.37 1ic5 s SER 50 CO 0.00 -1.36 -0.17 -0.89 0.98 0.00 0.00 173.24 171.79 1ic5 s THR 51 N -3.29 1.39 -0.15 2.02 2.01 -1.26 0.10 115.64 116.46 1ic5 s THR 51 Ca 0.58 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 1ic5 s THR 51 Cb -0.11 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1ic5 s THR 51 CO 0.49 0.19 0.07 -1.81 -0.69 0.00 0.00 174.62 172.88 1ic5 s ASP 52 N -0.94 5.78 -0.05 3.53 -0.00 0.50 -1.31 116.67 124.18 1ic5 s ASP 52 Ca 0.05 0.20 0.05 0.00 -0.00 0.00 0.00 52.55 52.85 1ic5 s ASP 52 Cb -0.08 -1.91 -0.00 0.00 -0.00 0.00 0.00 42.92 40.93 1ic5 s ASP 52 CO 0.01 0.27 -0.20 -0.31 -0.00 0.00 0.00 175.17 174.94 1ic5 s TYR 53 N -0.19 1.98 0.00 4.23 2.02 0.29 -1.72 117.35 123.95 1ic5 s TYR 53 Ca 0.08 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 1ic5 s TYR 53 Cb -0.12 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 1ic5 s TYR 53 CO 0.01 -0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.19 1ic5 n GLY 54 N 3.17 -2.14 0.29 0.71 0.00 0.44 -2.05 105.19 105.61 1ic5 n GLY 54 Ca -0.18 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.45 1ic5 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ic5 h ILE 55 N 0.00 0.00 -0.01 -0.61 2.10 -1.67 -1.12 117.51 116.21 1ic5 h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ic5 h ILE 55 Cb 0.00 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 36.48 1ic5 h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1ic5 n LEU 56 N -2.78 1.94 -3.86 2.19 4.77 -1.26 -4.26 117.00 113.74 1ic5 n LEU 56 Ca -0.02 -1.92 -0.32 0.00 -0.03 0.00 0.00 56.01 53.72 1ic5 n LEU 56 Cb 0.17 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1ic5 n LEU 56 CO 0.15 0.49 -0.16 0.00 -1.33 0.00 0.00 177.39 176.54 1ic5 n GLN 57 N -0.44 -1.71 -2.13 3.23 1.13 -0.42 -4.89 117.38 112.15 1ic5 n GLN 57 Ca 0.00 0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 55.00 1ic5 n GLN 57 Cb 0.23 -3.96 -0.03 0.00 0.11 0.00 0.00 30.24 26.60 1ic5 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ic5 s ILE 58 N -3.68 3.43 0.14 5.09 -1.09 -0.87 -4.25 121.20 119.97 1ic5 s ILE 58 Ca 0.31 0.89 -0.27 0.00 -2.23 0.00 0.00 60.65 59.35 1ic5 s ILE 58 Cb -0.13 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 1ic5 s ILE 58 CO 0.90 0.01 0.83 0.21 -1.23 0.00 0.00 174.94 175.66 1ic5 s ASN 59 N 1.83 7.41 0.50 3.58 2.47 -1.26 -0.55 114.94 128.92 1ic5 s ASN 59 Ca 0.67 1.68 0.29 0.00 0.42 0.00 0.00 52.86 55.91 1ic5 s ASN 59 Cb -0.35 -2.53 0.92 0.00 -1.45 0.00 0.00 41.25 37.85 1ic5 s ASN 59 CO 0.29 0.11 1.82 0.77 -3.72 0.00 0.00 177.10 176.37 1ic5 h SER 60 N 4.83 0.00 -0.18 -4.21 4.64 -1.43 -1.22 113.55 115.98 1ic5 h SER 60 Ca -0.45 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 1ic5 h SER 60 Cb 1.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1ic5 h SER 60 CO 0.68 0.01 -0.64 -0.09 -0.87 0.00 0.00 176.83 175.93 1ic5 h ARG 61 N 0.00 0.75 0.00 4.77 2.43 -1.84 -3.40 114.38 117.10 1ic5 h ARG 61 Ca -0.00 -0.57 -0.39 0.00 -0.81 0.00 0.00 59.98 58.21 1ic5 h ARG 61 Cb 0.73 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 1ic5 h ARG 61 CO 0.00 1.18 -2.46 0.91 -1.51 0.00 0.00 179.97 178.09 1ic5 n TRP 62 N -4.04 0.00 -0.11 2.20 7.02 -1.22 -1.15 117.44 120.14 1ic5 n TRP 62 Ca -0.07 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.27 1ic5 n TRP 62 Cb 0.67 -0.98 -0.13 0.00 -2.42 0.00 0.00 31.31 28.45 1ic5 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ic5 n TRP 63 N -3.33 0.00 -4.34 -5.99 7.02 -0.47 -1.28 117.44 109.06 1ic5 n TRP 63 Ca -0.46 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 55.85 1ic5 n TRP 63 Cb 0.97 -0.95 -0.10 0.00 -2.42 0.00 0.00 31.31 28.81 1ic5 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ic5 s ASN 65 N -3.33 4.90 -0.07 0.00 2.47 0.11 -4.50 114.94 114.51 1ic5 s ASN 65 Ca 0.34 -0.20 0.13 0.00 0.42 0.00 0.00 52.86 53.54 1ic5 s ASN 65 Cb 0.07 -1.85 0.41 0.00 -1.45 0.00 0.00 41.25 38.43 1ic5 s ASN 65 CO 0.12 0.04 1.34 -0.90 -3.72 0.00 0.00 177.10 173.97 1ic5 n ASP 66 N 4.42 3.38 0.00 -4.21 5.68 -1.26 -1.30 116.55 123.25 1ic5 n ASP 66 Ca -0.17 -2.42 0.00 0.00 -0.50 0.00 0.00 54.79 51.71 1ic5 n ASP 66 Cb 0.52 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1ic5 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ic5 n GLY 67 N 0.14 0.00 0.59 6.12 0.00 -1.26 -4.35 105.19 106.43 1ic5 n GLY 67 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1ic5 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ic5 n ARG 68 N -1.75 1.08 -3.83 1.61 1.74 -1.26 -4.95 116.66 109.29 1ic5 n ARG 68 Ca 0.00 -1.39 -0.36 0.00 -0.77 0.00 0.00 57.85 55.33 1ic5 n ARG 68 Cb 0.00 -1.28 -0.11 0.00 -1.02 0.00 0.00 32.46 30.05 1ic5 n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ic5 s THR 69 N -1.20 4.66 0.00 0.55 2.01 -1.26 -4.93 115.64 115.47 1ic5 s THR 69 Ca 0.17 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1ic5 s THR 69 Cb 0.12 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1ic5 s THR 69 CO 0.18 0.37 0.00 -2.65 -0.69 0.00 0.00 174.62 171.83 1ic5 n PRO 70 N 4.41 0.00 -0.76 4.92 -0.02 -1.26 -2.58 135.00 139.71 1ic5 n PRO 70 Ca -0.16 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.14 1ic5 n PRO 70 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.94 1ic5 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ic5 n GLY 71 N 0.00 2.88 3.68 -1.23 0.00 -1.26 -4.93 105.19 104.33 1ic5 n GLY 71 Ca 0.00 -0.89 -0.47 0.00 0.00 0.00 0.00 46.02 44.66 1ic5 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ic5 n SER 72 N 3.47 3.44 -0.02 1.61 2.88 -1.06 -4.86 113.62 119.08 1ic5 n SER 72 Ca 0.41 1.00 0.06 0.00 -1.33 0.00 0.00 58.87 59.01 1ic5 n SER 72 Cb 0.34 -1.41 -0.12 0.00 -0.75 0.00 0.00 64.21 62.27 1ic5 n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ic5 n ARG 73 N 5.66 0.63 -3.93 -1.46 5.12 -0.30 -5.03 116.66 117.35 1ic5 n ARG 73 Ca 0.20 -0.13 -0.27 0.00 -1.93 0.00 0.00 57.85 55.73 1ic5 n ARG 73 Cb 0.31 -1.38 -0.00 0.00 -1.16 0.00 0.00 32.46 30.23 1ic5 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ic5 n ASN 74 N -2.11 -1.65 -0.00 0.55 4.05 -1.10 -4.89 115.26 110.10 1ic5 n ASN 74 Ca -0.06 -0.93 0.12 0.00 0.45 0.00 0.00 54.58 54.17 1ic5 n ASN 74 Cb 0.49 -3.37 0.56 0.00 1.23 0.00 0.00 39.78 38.68 1ic5 n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1ic5 h LEU 75 N -1.83 0.24 -0.69 1.20 3.38 -1.21 0.38 115.31 116.78 1ic5 h LEU 75 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1ic5 h LEU 75 Cb 1.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1ic5 h LEU 75 CO 0.64 0.15 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1ic5 n ASN 77 N -0.14 -4.50 -3.67 0.00 4.05 0.13 -4.98 115.26 106.15 1ic5 n ASN 77 Ca 0.19 -0.98 -0.13 0.00 0.45 0.00 0.00 54.58 54.10 1ic5 n ASN 77 Cb 0.26 -3.51 -0.08 0.00 1.23 0.00 0.00 39.78 37.67 1ic5 n ASN 77 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1ic5 s ILE 78 N -3.53 -0.00 0.31 -1.44 2.07 -1.26 -5.04 121.20 112.30 1ic5 s ILE 78 Ca 0.38 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.34 1ic5 s ILE 78 Cb -0.13 -0.82 -0.10 0.00 0.13 0.00 0.00 42.46 41.54 1ic5 s ILE 78 CO 0.85 0.00 1.35 -2.16 -1.91 0.00 0.00 174.94 173.07 1ic5 s PRO 79 N 0.40 4.32 0.45 3.50 0.04 -1.26 0.04 135.00 142.48 1ic5 s PRO 79 Ca -0.01 2.25 0.17 0.00 0.04 0.00 0.00 61.00 63.45 1ic5 s PRO 79 Cb -0.04 -3.08 1.11 0.00 0.04 0.00 0.00 34.50 32.52 1ic5 s PRO 79 CO -0.01 -0.27 1.94 0.00 0.04 0.00 0.00 177.00 178.71 1ic5 h SER 81 N 0.34 0.61 0.45 0.00 4.64 -1.91 0.14 113.55 117.82 1ic5 h SER 81 Ca 0.34 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1ic5 h SER 81 Cb 0.83 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1ic5 h SER 81 CO -0.09 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1ic5 n ALA 82 N -2.40 1.54 1.01 5.18 0.00 -0.74 -2.61 120.51 122.49 1ic5 n ALA 82 Ca 0.24 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.78 1ic5 n ALA 82 Cb 0.71 -1.23 0.33 0.00 0.00 0.00 0.00 19.45 19.25 1ic5 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ic5 n LEU 83 N -1.67 2.21 -3.08 0.00 4.77 0.49 -4.44 117.00 115.27 1ic5 n LEU 83 Ca 0.03 -0.90 -0.34 0.00 -0.03 0.00 0.00 56.01 54.77 1ic5 n LEU 83 Cb 0.15 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1ic5 n LEU 83 CO 0.13 0.45 0.85 0.18 -1.33 0.00 0.00 177.39 177.66 1ic5 n LEU 84 N 0.69 6.06 -4.38 2.23 4.77 -1.07 -4.28 117.00 121.01 1ic5 n LEU 84 Ca 0.17 -5.35 -0.19 0.00 -0.03 0.00 0.00 56.01 50.61 1ic5 n LEU 84 Cb 0.43 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 1ic5 n LEU 84 CO 0.14 2.12 -0.33 -0.55 -1.33 0.00 0.00 177.39 177.44 1ic5 s SER 85 N -2.33 2.27 0.22 -1.43 0.15 -1.26 -4.86 113.70 106.45 1ic5 s SER 85 Ca 0.46 -1.23 0.13 0.00 0.70 0.00 0.00 55.95 56.01 1ic5 s SER 85 Cb 0.30 -0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1ic5 s SER 85 CO -0.20 -0.46 1.34 0.28 1.20 0.00 0.00 173.24 175.40 1ic5 h SER 86 N 2.35 0.00 -3.00 5.45 0.02 -1.94 -3.43 113.55 113.00 1ic5 h SER 86 Ca -0.39 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 59.99 1ic5 h SER 86 Cb 1.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 1ic5 h SER 86 CO 0.66 0.64 0.81 -0.62 -1.14 0.00 0.00 176.83 177.18 1ic5 s ASP 87 N -6.46 7.00 0.00 3.07 -1.08 -1.26 -4.95 116.67 113.00 1ic5 s ASP 87 Ca 0.03 1.71 0.21 0.00 -0.52 0.00 0.00 52.55 53.97 1ic5 s ASP 87 Cb 0.08 -2.55 0.96 0.00 -1.46 0.00 0.00 42.92 39.95 1ic5 s ASP 87 CO 0.77 -0.68 1.65 2.30 0.52 0.00 0.00 175.17 179.73 1ic5 n ILE 88 N 5.07 0.10 -0.02 4.11 -5.35 -1.26 -4.52 119.36 117.49 1ic5 n ILE 88 Ca 0.13 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.39 1ic5 n ILE 88 Cb 0.46 0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.41 1ic5 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ic5 h THR 89 N 1.22 0.00 -0.54 7.28 2.02 -1.96 0.30 112.91 121.23 1ic5 h THR 89 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1ic5 h THR 89 Cb 0.27 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 1ic5 h THR 89 CO 0.00 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.09 1ic5 h ALA 90 N -1.11 0.67 -0.92 6.16 0.00 -1.88 0.67 119.26 122.85 1ic5 h ALA 90 Ca 0.01 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ic5 h ALA 90 Cb 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1ic5 h ALA 90 CO -0.10 -0.20 0.60 0.77 0.00 0.00 0.00 179.25 180.32 1ic5 h SER 91 N 0.38 1.00 -0.23 0.00 0.02 -1.80 -1.93 113.55 110.99 1ic5 h SER 91 Ca 0.26 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1ic5 h SER 91 Cb 0.29 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1ic5 h SER 91 CO -0.26 0.69 -0.32 0.58 -1.14 0.00 0.00 176.83 176.38 1ic5 h VAL 92 N 1.16 1.32 -0.43 2.27 2.07 -0.10 -0.63 116.25 121.92 1ic5 h VAL 92 Ca 0.37 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.40 1ic5 h VAL 92 Cb -0.01 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1ic5 h VAL 92 CO -0.12 0.47 0.24 0.78 0.02 0.00 0.00 177.57 178.96 1ic5 h ASN 93 N 0.32 0.36 -0.20 0.57 2.35 -0.82 -0.40 115.58 117.77 1ic5 h ASN 93 Ca 0.03 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1ic5 h ASN 93 Cb 0.90 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 1ic5 h ASN 93 CO 0.07 0.26 -0.02 0.00 -1.65 0.00 0.00 177.43 176.09 1ic5 h ALA 95 N 0.76 1.99 -0.44 0.00 0.00 -0.59 0.10 119.26 121.09 1ic5 h ALA 95 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ic5 h ALA 95 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ic5 h ALA 95 CO 0.01 -0.11 -0.01 0.87 0.00 0.00 0.00 179.25 180.02 1ic5 h LYS 96 N 0.40 0.71 -0.14 0.00 1.57 -1.07 -1.36 116.57 116.68 1ic5 h LYS 96 Ca 0.25 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 1ic5 h LYS 96 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ic5 h LYS 96 CO -0.07 0.73 -0.45 -0.22 -0.57 0.00 0.00 179.45 178.87 1ic5 h LYS 97 N 0.67 0.55 -0.36 3.15 3.64 -0.98 -2.92 116.57 120.31 1ic5 h LYS 97 Ca 0.13 -0.41 0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1ic5 h LYS 97 Cb 0.42 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 1ic5 h LYS 97 CO 0.02 1.03 -0.08 0.82 -2.27 0.00 0.00 179.45 178.97 1ic5 h ILE 98 N 0.18 0.65 0.00 2.00 2.04 -1.10 -2.39 117.51 118.90 1ic5 h ILE 98 Ca -0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ic5 h ILE 98 Cb 1.08 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1ic5 h ILE 98 CO 0.10 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.80 1ic5 n VAL 99 N -5.27 0.82 1.61 1.67 3.14 -0.53 -2.12 118.33 117.66 1ic5 n VAL 99 Ca 0.01 0.21 0.14 0.00 -2.96 0.00 0.00 64.34 61.75 1ic5 n VAL 99 Cb 0.20 -1.15 0.61 0.00 -1.06 0.00 0.00 33.84 32.44 1ic5 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ic5 n SER 100 N -2.25 1.05 -4.90 6.55 7.64 -0.90 -4.16 113.62 116.65 1ic5 n SER 100 Ca 0.02 -1.41 -0.28 0.00 1.01 0.00 0.00 58.87 58.22 1ic5 n SER 100 Cb 0.24 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 1ic5 n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ic5 s ASP 101 N -1.90 6.04 0.50 6.43 2.15 -0.90 -4.96 116.67 124.03 1ic5 s ASP 101 Ca 0.39 0.97 0.33 0.00 0.43 0.00 0.00 52.55 54.67 1ic5 s ASP 101 Cb 0.20 -2.13 1.61 0.00 -0.30 0.00 0.00 42.92 42.30 1ic5 s ASP 101 CO 0.32 -0.79 2.01 1.23 -0.17 0.00 0.00 175.17 177.77 1ic5 h GLY 102 N -0.02 0.00 2.00 2.66 0.00 -1.88 -2.42 103.07 103.41 1ic5 h GLY 102 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1ic5 h GLY 102 CO 0.62 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.86 1ic5 n ASN 103 N -2.78 0.43 0.00 0.19 3.02 -1.26 -4.98 115.26 109.88 1ic5 n ASN 103 Ca -0.01 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1ic5 n ASN 103 Cb 0.17 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1ic5 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ic5 n GLY 104 N 0.80 3.05 0.01 7.41 0.00 -0.91 -1.35 105.19 114.20 1ic5 n GLY 104 Ca 0.05 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1ic5 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ic5 n MET 105 N 14.00 0.02 0.28 1.61 2.81 -1.26 -3.27 117.12 131.31 1ic5 n MET 105 Ca 0.00 0.07 0.15 0.00 -1.81 0.00 0.00 57.70 56.11 1ic5 n MET 105 Cb 0.00 -1.53 0.83 0.00 -0.71 0.00 0.00 33.22 31.80 1ic5 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ic5 h ASN 106 N 0.00 0.00 0.30 7.83 2.35 -1.62 -0.85 115.58 123.59 1ic5 h ASN 106 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1ic5 h ASN 106 Cb 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1ic5 h ASN 106 CO 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 175.75 1ic5 h ALA 107 N 1.62 1.14 -2.02 -0.83 0.00 -1.71 -3.38 119.26 114.09 1ic5 h ALA 107 Ca 0.00 -0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.20 1ic5 h ALA 107 Cb 0.34 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.95 1ic5 h ALA 107 CO 0.00 0.04 0.13 -1.58 0.00 0.00 0.00 179.25 177.84 1ic5 s TRP 108 N -4.13 3.00 0.23 0.00 0.51 -0.33 -4.96 118.94 113.27 1ic5 s TRP 108 Ca -0.03 -0.55 -0.08 0.00 -2.12 0.00 0.00 56.10 53.32 1ic5 s TRP 108 Cb 0.12 -3.70 0.23 0.00 -0.81 0.00 0.00 33.47 29.32 1ic5 s TRP 108 CO 0.50 -1.13 1.90 0.28 -0.51 0.00 0.00 176.95 177.99 1ic5 h VAL 109 N 5.89 1.20 -0.18 4.03 2.07 -1.85 0.31 116.25 127.72 1ic5 h VAL 109 Ca -0.28 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1ic5 h VAL 109 Cb 1.09 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1ic5 h VAL 109 CO 1.01 0.21 -0.41 0.00 0.02 0.00 0.00 177.57 178.40 1ic5 h ALA 110 N 1.34 0.97 -0.36 1.67 0.00 -1.93 -1.00 119.26 119.95 1ic5 h ALA 110 Ca 0.33 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ic5 h ALA 110 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ic5 h ALA 110 CO -0.09 0.62 0.03 2.35 0.00 0.00 0.00 179.25 182.16 1ic5 h TRP 111 N 0.34 0.66 -0.79 0.00 7.01 -1.71 0.33 115.95 121.79 1ic5 h TRP 111 Ca 0.03 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1ic5 h TRP 111 Cb 0.86 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.71 1ic5 h TRP 111 CO 0.03 0.69 0.45 0.00 -2.79 0.00 0.00 178.44 176.82 1ic5 h ARG 112 N 0.44 1.09 0.00 2.65 3.08 -0.49 -0.24 114.38 120.91 1ic5 h ARG 112 Ca 0.11 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ic5 h ARG 112 Cb 0.41 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1ic5 h ARG 112 CO 0.01 0.79 -0.60 -0.91 -1.07 0.00 0.00 179.97 178.19 1ic5 h ASN 113 N 1.09 0.00 0.00 7.04 -0.26 -0.96 -3.35 115.58 119.13 1ic5 h ASN 113 Ca 0.28 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1ic5 h ASN 113 Cb -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1ic5 h ASN 113 CO -0.05 0.06 -0.51 0.54 -1.06 0.00 0.00 177.43 176.41 1ic5 n ARG 114 N -2.33 2.80 -0.03 0.81 5.12 0.11 -4.87 116.66 118.28 1ic5 n ARG 114 Ca 0.03 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.90 1ic5 n ARG 114 Cb 0.47 -0.72 -0.02 0.00 -1.16 0.00 0.00 32.46 31.03 1ic5 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ic5 n LYS 116 N -2.85 2.47 -0.79 0.00 4.81 -0.32 -1.56 118.16 119.92 1ic5 n LYS 116 Ca -0.10 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1ic5 n LYS 116 Cb 0.60 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1ic5 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ic5 n GLY 117 N 4.08 0.56 3.79 3.14 0.00 -1.26 -4.97 105.19 110.53 1ic5 n GLY 117 Ca 0.19 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1ic5 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ic5 s THR 118 N -2.00 1.93 -1.04 2.61 2.01 -0.60 -5.02 115.64 113.52 1ic5 s THR 118 Ca 0.00 -1.70 -0.17 0.00 0.31 0.00 0.00 61.69 60.13 1ic5 s THR 118 Cb 0.00 -2.62 0.14 0.00 0.01 0.00 0.00 72.50 70.02 1ic5 s THR 118 CO 0.00 0.00 1.27 -0.62 -0.69 0.00 0.00 174.62 174.58 1ic5 s ASP 119 N -4.00 6.78 0.43 3.53 2.15 -1.26 -4.81 116.67 119.48 1ic5 s ASP 119 Ca 0.33 -2.34 0.20 0.00 0.43 0.00 0.00 52.55 51.17 1ic5 s ASP 119 Cb 0.02 -2.42 0.98 0.00 -0.30 0.00 0.00 42.92 41.20 1ic5 s ASP 119 CO 0.19 -0.99 1.88 -0.37 -0.17 0.00 0.00 175.17 175.71 1ic5 h VAL 120 N 5.49 0.85 0.00 1.11 -1.51 -1.91 -2.53 116.25 117.75 1ic5 h VAL 120 Ca 0.22 -1.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 1ic5 h VAL 120 Cb 0.97 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1ic5 h VAL 120 CO 1.19 0.27 0.00 0.00 -1.23 0.00 0.00 177.57 177.79 1ic5 n GLN 121 N -3.72 0.17 0.27 5.19 1.13 -1.26 -1.11 117.38 118.05 1ic5 n GLN 121 Ca -0.01 0.48 0.10 0.00 -1.94 0.00 0.00 57.00 55.62 1ic5 n GLN 121 Cb 0.38 -1.88 0.70 0.00 0.11 0.00 0.00 30.24 29.56 1ic5 n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ic5 h ALA 122 N 2.20 1.82 0.00 -1.58 0.00 -1.85 -0.16 119.26 119.68 1ic5 h ALA 122 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ic5 h ALA 122 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ic5 h ALA 122 CO 0.00 0.03 0.00 -1.49 0.00 0.00 0.00 179.25 177.79 1ic5 h TRP 123 N 0.00 0.00 -0.05 0.00 4.06 -1.33 -2.58 115.95 116.05 1ic5 h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ic5 h TRP 123 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1ic5 h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1ic5 n ILE 124 N -2.58 0.11 -2.37 1.49 -5.35 -0.10 -4.87 119.36 105.68 1ic5 n ILE 124 Ca 0.01 -0.55 -0.32 0.00 -0.27 0.00 0.00 62.75 61.62 1ic5 n ILE 124 Cb 0.24 1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 39.28 1ic5 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1ic5 s ARG 125 N -1.00 3.93 0.00 6.28 0.52 -0.97 -3.54 118.95 124.16 1ic5 s ARG 125 Ca 0.15 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.30 1ic5 s ARG 125 Cb 0.10 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1ic5 s ARG 125 CO 0.15 -0.29 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1ic5 n GLY 126 N -1.65 0.45 3.23 -3.53 0.00 -1.26 -5.03 105.19 97.39 1ic5 n GLY 126 Ca 0.06 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 1ic5 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ic5 s ARG 128 N -0.92 4.44 0.00 0.00 1.81 -1.26 -5.13 118.95 117.89 1ic5 s ARG 128 Ca 0.07 1.23 0.14 0.00 -1.72 0.00 0.00 55.73 55.46 1ic5 s ARG 128 Cb -0.08 -3.51 0.11 0.00 -0.45 0.00 0.00 34.95 31.02 1ic5 s ARG 128 CO 0.01 -0.18 0.96 1.28 -0.68 0.00 0.00 175.30 176.69