#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipc s VAL 28 N 0.00 3.83 0.89 6.31 -7.23 -1.26 -5.11 120.40 117.83 1ipc s VAL 28 Ca 0.00 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 1ipc s VAL 28 Cb 0.00 -3.10 0.13 0.00 0.56 0.00 0.00 36.38 33.97 1ipc s VAL 28 CO 0.00 -0.34 1.15 0.00 -0.31 0.00 0.00 175.10 175.60 1ipc n ALA 29 N -1.05 -0.65 -2.60 1.32 0.00 -1.26 -4.93 120.51 111.34 1ipc n ALA 29 Ca -0.07 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 1ipc n ALA 29 Cb 0.59 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 1ipc n ALA 29 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ipc s ASN 30 N -2.49 6.47 0.55 0.00 3.04 -1.26 -4.91 114.94 116.33 1ipc s ASN 30 Ca 0.68 0.06 0.37 0.00 0.04 0.00 0.00 52.86 54.01 1ipc s ASN 30 Cb -0.25 -2.50 1.54 0.00 -1.54 0.00 0.00 41.25 38.51 1ipc s ASN 30 CO 0.56 -1.28 1.79 1.55 -3.04 0.00 0.00 177.10 176.68 1ipc h PRO 31 N 9.33 0.00 -0.06 0.43 0.13 -2.00 0.65 132.00 140.47 1ipc h PRO 31 Ca -0.25 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1ipc h PRO 31 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ipc h PRO 31 CO 1.12 0.00 0.04 1.49 -0.23 0.00 0.00 178.00 180.42 1ipc h GLU 32 N 0.00 0.03 0.00 0.86 4.22 -1.92 -1.20 114.58 116.58 1ipc h GLU 32 Ca 0.56 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.00 1ipc h GLU 32 Cb 2.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.53 1ipc h GLU 32 CO -0.01 0.02 -0.20 0.72 -2.18 0.00 0.00 179.01 177.36 1ipc n HIS 33 N -4.52 0.09 -0.02 0.92 -0.00 0.22 -4.62 115.22 107.29 1ipc n HIS 33 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1ipc n HIS 33 Cb 0.13 -0.45 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 1ipc n HIS 33 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 1ipc n TYR 34 N -1.58 0.00 -2.84 4.41 0.18 -0.89 -5.10 117.16 111.33 1ipc n TYR 34 Ca 0.06 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.51 1ipc n TYR 34 Cb 0.35 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.24 1ipc n TYR 34 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 1ipc s ILE 35 N 0.00 4.40 0.71 -3.48 -4.36 -0.50 -5.03 121.20 112.94 1ipc s ILE 35 Ca 0.00 1.47 -0.13 0.00 -0.26 0.00 0.00 60.65 61.72 1ipc s ILE 35 Cb 0.00 -3.62 0.03 0.00 1.25 0.00 0.00 42.46 40.12 1ipc s ILE 35 CO 0.00 -0.29 1.11 -0.54 0.24 0.00 0.00 174.94 175.46 1ipc s LYS 36 N -3.12 2.53 -0.49 0.37 1.02 -1.26 -4.94 119.74 113.85 1ipc s LYS 36 Ca 0.61 1.33 -0.24 0.00 0.02 0.00 0.00 55.97 57.69 1ipc s LYS 36 Cb -0.09 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1ipc s LYS 36 CO 0.14 -1.45 0.86 -1.01 -0.92 0.00 0.00 175.35 172.97 1ipc s HIS 37 N -2.53 2.91 0.56 3.18 3.76 -1.26 -4.99 115.29 116.92 1ipc s HIS 37 Ca 0.65 0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 55.49 1ipc s HIS 37 Cb -0.20 -3.86 -0.05 0.00 1.11 0.00 0.00 32.58 29.58 1ipc s HIS 37 CO 0.47 -1.13 1.22 -1.25 -0.85 0.00 0.00 174.74 173.20 1ipc s PRO 38 N 3.59 3.15 0.10 8.40 0.04 -1.26 -0.48 135.00 148.53 1ipc s PRO 38 Ca 0.31 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.26 1ipc s PRO 38 Cb -0.12 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1ipc s PRO 38 CO 0.22 -1.08 0.15 -0.51 0.04 0.00 0.00 177.00 175.82 1ipc s LEU 39 N -3.79 4.01 0.20 -3.56 1.43 0.09 -4.76 118.68 112.31 1ipc s LEU 39 Ca 0.74 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.81 1ipc s LEU 39 Cb -0.32 -2.65 0.24 0.00 0.03 0.00 0.00 46.19 43.49 1ipc s LEU 39 CO 0.36 0.14 1.79 -0.61 0.23 0.00 0.00 176.35 178.25 1ipc h GLN 40 N 2.96 0.56 -6.36 1.70 5.75 -1.87 -3.43 115.11 114.41 1ipc h GLN 40 Ca -0.47 -0.03 -0.62 0.00 -0.15 0.00 0.00 58.65 57.38 1ipc h GLN 40 Cb 1.17 -0.13 -0.15 0.00 1.07 0.00 0.00 27.48 29.44 1ipc h GLN 40 CO 0.68 0.37 -0.78 -0.80 -2.65 0.00 0.00 178.83 175.66 1ipc s ASN 41 N -5.51 3.60 -0.04 -0.69 -0.87 -1.26 -5.12 114.94 105.05 1ipc s ASN 41 Ca -0.13 -0.94 -0.17 0.00 -1.57 0.00 0.00 52.86 50.05 1ipc s ASN 41 Cb 0.16 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.25 41.01 1ipc s ASN 41 CO 0.75 0.07 0.47 -0.60 -2.57 0.00 0.00 177.10 175.22 1ipc s ARG 42 N -3.20 4.17 0.26 -0.60 3.52 -1.26 -4.71 118.95 117.13 1ipc s ARG 42 Ca 0.27 0.50 0.12 0.00 -0.13 0.00 0.00 55.73 56.48 1ipc s ARG 42 Cb -0.06 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1ipc s ARG 42 CO 0.13 0.44 -0.21 -1.58 -0.81 0.00 0.00 175.30 173.28 1ipc s TRP 43 N -0.33 2.25 -0.06 5.12 0.52 -0.12 -1.07 118.94 125.26 1ipc s TRP 43 Ca 0.26 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 56.05 1ipc s TRP 43 Cb -0.17 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.16 1ipc s TRP 43 CO 0.13 0.65 -0.10 0.00 0.02 0.00 0.00 176.95 177.65 1ipc s ALA 44 N -2.35 1.10 -0.19 0.98 0.00 -0.15 -1.52 121.76 119.64 1ipc s ALA 44 Ca 0.27 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 1ipc s ALA 44 Cb -0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1ipc s ALA 44 CO 0.13 0.09 0.13 -1.17 0.00 0.00 0.00 175.76 174.94 1ipc s LEU 45 N 0.69 4.22 0.17 0.00 2.96 -0.59 -1.58 118.68 124.54 1ipc s LEU 45 Ca -0.13 0.26 0.11 0.00 -0.22 0.00 0.00 54.13 54.14 1ipc s LEU 45 Cb -0.15 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1ipc s LEU 45 CO 0.03 0.21 -0.23 0.26 -1.32 0.00 0.00 176.35 175.31 1ipc s TRP 46 N 0.16 2.37 -0.04 5.38 0.52 0.10 -0.83 118.94 126.60 1ipc s TRP 46 Ca 0.09 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.92 1ipc s TRP 46 Cb -0.11 -1.21 -0.01 0.00 -1.15 0.00 0.00 33.47 30.99 1ipc s TRP 46 CO -0.01 0.45 -0.20 0.12 0.02 0.00 0.00 176.95 177.32 1ipc s PHE 47 N -1.45 1.92 -0.14 -1.98 5.36 0.15 -1.64 117.98 120.20 1ipc s PHE 47 Ca 0.19 -0.49 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 1ipc s PHE 47 Cb -0.09 -1.26 0.01 0.00 -0.34 0.00 0.00 43.02 41.34 1ipc s PHE 47 CO 0.09 -0.13 -0.19 0.12 -1.46 0.00 0.00 175.22 173.65 1ipc s PHE 48 N -0.20 2.71 -0.22 10.12 5.36 -0.40 -1.68 117.98 133.68 1ipc s PHE 48 Ca 0.01 -1.22 -0.01 0.00 -0.96 0.00 0.00 56.93 54.75 1ipc s PHE 48 Cb -0.11 -1.84 0.02 0.00 -0.34 0.00 0.00 43.02 40.75 1ipc s PHE 48 CO 0.01 -0.55 -0.12 0.21 -1.46 0.00 0.00 175.22 173.32 1ipc s LYS 49 N 0.80 2.93 0.17 10.12 2.47 -1.00 -1.89 119.74 133.34 1ipc s LYS 49 Ca -0.07 -0.90 -0.31 0.00 -1.56 0.00 0.00 55.97 53.14 1ipc s LYS 49 Cb -0.16 -2.82 -0.09 0.00 -1.46 0.00 0.00 37.83 33.30 1ipc s LYS 49 CO -0.01 -0.31 1.45 1.21 0.16 0.00 0.00 175.35 177.86 1ipc s ASN 50 N 1.32 6.72 -0.27 1.43 2.47 -1.25 -4.73 114.94 120.62 1ipc s ASN 50 Ca 0.02 2.50 -0.00 0.00 0.42 0.00 0.00 52.86 55.80 1ipc s ASN 50 Cb -0.15 -2.60 0.15 0.00 -1.45 0.00 0.00 41.25 37.20 1ipc s ASN 50 CO -0.08 -0.71 0.38 -0.62 -3.72 0.00 0.00 177.10 172.35 1ipc s ASP 51 N 0.89 0.52 0.49 -4.21 -1.08 -1.26 -5.04 116.67 106.97 1ipc s ASP 51 Ca 0.65 -0.19 0.24 0.00 -0.52 0.00 0.00 52.55 52.72 1ipc s ASP 51 Cb -0.40 1.02 1.29 0.00 -1.46 0.00 0.00 42.92 43.37 1ipc s ASP 51 CO 0.34 -0.34 1.92 0.50 0.52 0.00 0.00 175.17 178.11 1ipc h LYS 52 N 8.19 0.16 0.00 4.34 3.64 -1.98 -1.70 116.57 129.22 1ipc h LYS 52 Ca -0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1ipc h LYS 52 Cb 1.13 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1ipc h LYS 52 CO 0.28 0.11 0.00 -1.13 -2.27 0.00 0.00 179.45 176.44 1ipc n SER 53 N -4.39 0.00 -4.33 4.20 3.41 -1.26 -4.81 113.62 106.43 1ipc n SER 53 Ca 0.16 -0.09 -0.21 0.00 -0.26 0.00 0.00 58.87 58.47 1ipc n SER 53 Cb 0.73 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 1ipc n SER 53 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ipc s LYS 54 N -2.52 1.27 0.79 4.33 1.02 -0.64 -5.13 119.74 118.86 1ipc s LYS 54 Ca 0.22 -1.44 -0.13 0.00 0.02 0.00 0.00 55.97 54.63 1ipc s LYS 54 Cb 0.15 -1.25 0.07 0.00 -0.52 0.00 0.00 37.83 36.28 1ipc s LYS 54 CO 0.33 0.24 1.19 -0.08 -0.92 0.00 0.00 175.35 176.11 1ipc s THR 55 N -2.29 2.25 0.17 2.17 -1.32 -1.26 -4.86 115.64 110.51 1ipc s THR 55 Ca 0.17 0.11 -0.14 0.00 -1.21 0.00 0.00 61.69 60.62 1ipc s THR 55 Cb -0.04 -2.53 0.08 0.00 -1.51 0.00 0.00 72.50 68.50 1ipc s THR 55 CO 0.06 -0.08 1.72 -0.25 -2.21 0.00 0.00 174.62 173.87 1ipc h TRP 56 N -0.80 0.15 -0.26 9.09 7.01 -1.97 -1.85 115.95 127.32 1ipc h TRP 56 Ca -0.46 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.56 1ipc h TRP 56 Cb 1.29 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.33 1ipc h TRP 56 CO 0.48 0.01 0.15 0.37 -2.79 0.00 0.00 178.44 176.66 1ipc h GLN 57 N 0.23 0.35 0.00 2.65 4.15 -1.94 -2.09 115.11 118.45 1ipc h GLN 57 Ca 0.22 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 1ipc h GLN 57 Cb 0.27 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1ipc h GLN 57 CO -0.28 0.25 -0.27 0.00 -1.93 0.00 0.00 178.83 176.60 1ipc h ALA 58 N 1.81 1.35 -0.01 3.38 0.00 -1.68 -2.39 119.26 121.72 1ipc h ALA 58 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ipc h ALA 58 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ipc h ALA 58 CO -0.02 0.34 -0.16 0.09 0.00 0.00 0.00 179.25 179.51 1ipc n ASN 59 N -3.93 0.73 -4.59 0.00 3.02 -0.79 -4.79 115.26 104.91 1ipc n ASN 59 Ca -0.02 -0.76 -0.39 0.00 -0.03 0.00 0.00 54.58 53.39 1ipc n ASN 59 Cb 0.35 0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.43 1ipc n ASN 59 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ipc s LEU 60 N -2.45 4.08 0.02 3.41 2.96 -0.90 -2.36 118.68 123.45 1ipc s LEU 60 Ca 0.28 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1ipc s LEU 60 Cb 0.20 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1ipc s LEU 60 CO 0.48 -0.13 -0.07 -0.13 -1.32 0.00 0.00 176.35 175.18 1ipc s ARG 61 N 1.88 0.52 0.42 1.98 1.81 -0.68 -4.99 118.95 119.90 1ipc s ARG 61 Ca 0.10 -0.49 -0.23 0.00 -1.72 0.00 0.00 55.73 53.38 1ipc s ARG 61 Cb -0.16 -0.41 -0.08 0.00 -0.45 0.00 0.00 34.95 33.85 1ipc s ARG 61 CO 0.11 0.10 1.08 -1.17 -0.68 0.00 0.00 175.30 174.73 1ipc s LEU 62 N -0.86 4.08 -0.05 2.53 2.96 -1.26 -0.67 118.68 125.40 1ipc s LEU 62 Ca -0.03 2.10 -0.05 0.00 -0.22 0.00 0.00 54.13 55.93 1ipc s LEU 62 Cb -0.06 -4.24 -0.02 0.00 0.50 0.00 0.00 46.19 42.37 1ipc s LEU 62 CO 0.00 -0.63 -0.09 -0.38 -1.32 0.00 0.00 176.35 173.93 1ipc n ILE 63 N -0.27 0.40 -3.74 6.68 5.41 -0.01 -4.83 119.36 123.00 1ipc n ILE 63 Ca 0.06 0.39 -0.01 0.00 1.00 0.00 0.00 62.75 64.20 1ipc n ILE 63 Cb 0.49 -1.71 -0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1ipc n ILE 63 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1ipc s SER 64 N -4.55 -0.08 0.35 4.38 1.04 -1.20 -5.03 113.70 108.60 1ipc s SER 64 Ca -0.08 -0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.14 1ipc s SER 64 Cb 0.01 0.31 -0.07 0.00 0.10 0.00 0.00 66.02 66.38 1ipc s SER 64 CO 0.11 -0.59 -0.09 -0.54 0.98 0.00 0.00 173.24 173.11 1ipc s LYS 65 N -2.62 1.83 0.03 4.02 1.02 -1.26 -1.55 119.74 121.20 1ipc s LYS 65 Ca 0.16 -1.94 -0.27 0.00 0.02 0.00 0.00 55.97 53.94 1ipc s LYS 65 Cb 0.01 -1.71 0.08 0.00 -0.52 0.00 0.00 37.83 35.69 1ipc s LYS 65 CO -0.00 0.13 0.70 -0.59 -0.92 0.00 0.00 175.35 174.68 1ipc s PHE 66 N -2.61 -0.55 0.00 3.18 -0.12 -0.57 -5.00 117.98 112.31 1ipc s PHE 66 Ca 0.33 0.65 0.12 0.00 -0.05 0.00 0.00 56.93 57.98 1ipc s PHE 66 Cb 0.03 0.49 0.19 0.00 -0.63 0.00 0.00 43.02 43.10 1ipc s PHE 66 CO 0.17 -0.67 1.05 -0.40 -0.05 0.00 0.00 175.22 175.32 1ipc n ASP 67 N 0.24 0.40 -4.00 1.98 5.68 -1.26 -0.94 116.55 118.65 1ipc n ASP 67 Ca -0.16 -1.95 -0.08 0.00 -0.50 0.00 0.00 54.79 52.10 1ipc n ASP 67 Cb 0.61 -0.21 -0.09 0.00 -1.14 0.00 0.00 41.12 40.29 1ipc n ASP 67 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1ipc s THR 68 N 0.00 0.18 0.15 2.12 -4.23 -1.26 -0.73 115.64 111.87 1ipc s THR 68 Ca 0.15 -1.50 -0.16 0.00 -1.18 0.00 0.00 61.69 59.00 1ipc s THR 68 Cb 0.17 -1.35 0.01 0.00 1.34 0.00 0.00 72.50 72.67 1ipc s THR 68 CO -0.08 -0.83 1.77 0.58 -0.54 0.00 0.00 174.62 175.53 1ipc h VAL 69 N 3.13 1.14 -0.66 2.29 2.07 -1.07 -1.84 116.25 121.30 1ipc h VAL 69 Ca -0.34 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1ipc h VAL 69 Cb 1.17 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1ipc h VAL 69 CO 0.60 0.14 0.40 -0.33 0.02 0.00 0.00 177.57 178.41 1ipc h GLU 70 N 0.54 0.90 0.00 1.57 3.07 -1.98 -2.19 114.58 116.49 1ipc h GLU 70 Ca 0.15 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.86 1ipc h GLU 70 Cb 0.01 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1ipc h GLU 70 CO -0.03 0.63 -0.31 -0.44 -1.40 0.00 0.00 179.01 177.47 1ipc h ASP 71 N 0.90 0.00 0.41 1.42 3.32 -1.90 -1.97 116.42 118.60 1ipc h ASP 71 Ca 0.24 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1ipc h ASP 71 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1ipc h ASP 71 CO -0.05 0.31 -0.20 0.15 -1.72 0.00 0.00 179.24 177.74 1ipc h PHE 72 N 0.00 -0.51 -0.52 4.55 3.57 -0.73 -2.80 116.94 120.50 1ipc h PHE 72 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ipc h PHE 72 Cb 0.79 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1ipc h PHE 72 CO 0.00 -0.19 0.34 -1.49 -2.23 0.00 0.00 178.31 174.74 1ipc h TRP 73 N -0.86 0.65 -0.89 0.41 4.06 -1.37 -0.15 115.95 117.80 1ipc h TRP 73 Ca -0.06 0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.93 1ipc h TRP 73 Cb 0.55 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.44 1ipc h TRP 73 CO 0.01 0.42 0.58 0.00 -3.56 0.00 0.00 178.44 175.89 1ipc h ALA 74 N 1.67 1.41 0.16 1.49 0.00 -1.33 0.24 119.26 122.90 1ipc h ALA 74 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ipc h ALA 74 Cb -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1ipc h ALA 74 CO -0.04 0.52 -0.08 1.25 0.00 0.00 0.00 179.25 180.90 1ipc h LEU 75 N 1.15 -0.19 -0.83 0.00 5.85 -1.00 -3.31 115.31 116.99 1ipc h LEU 75 Ca 0.34 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1ipc h LEU 75 Cb -0.04 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1ipc h LEU 75 CO -0.09 0.38 0.45 0.22 -0.34 0.00 0.00 178.44 179.07 1ipc h TYR 76 N -0.94 0.81 0.00 1.25 3.20 -0.95 -2.47 116.97 117.88 1ipc h TYR 76 Ca -0.02 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1ipc h TYR 76 Cb 0.48 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1ipc h TYR 76 CO 0.08 0.29 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.85 1ipc h ASN 77 N 0.72 0.00 -0.14 -2.11 -0.26 -1.08 -3.15 115.58 109.56 1ipc h ASN 77 Ca 0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.16 1ipc h ASN 77 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1ipc h ASN 77 CO -0.29 0.12 0.00 0.00 -1.06 0.00 0.00 177.43 176.21 1ipc n HIS 78 N -3.59 0.16 -4.10 1.19 1.44 -0.94 -4.96 115.22 104.43 1ipc n HIS 78 Ca -0.02 -0.09 -0.29 0.00 -2.01 0.00 0.00 57.72 55.31 1ipc n HIS 78 Cb 0.26 -0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.30 1ipc n HIS 78 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1ipc s ILE 79 N -1.54 4.27 0.56 0.61 -4.36 -1.19 -5.09 121.20 114.47 1ipc s ILE 79 Ca 0.27 -0.97 -0.21 0.00 -0.26 0.00 0.00 60.65 59.48 1ipc s ILE 79 Cb 0.18 -3.09 -0.04 0.00 1.25 0.00 0.00 42.46 40.76 1ipc s ILE 79 CO 0.26 0.05 1.30 -1.10 0.24 0.00 0.00 174.94 175.69 1ipc s GLN 80 N -2.56 3.08 0.49 0.37 -0.21 -1.26 -4.97 119.66 114.60 1ipc s GLN 80 Ca 0.28 2.09 -0.22 0.00 0.02 0.00 0.00 55.36 57.53 1ipc s GLN 80 Cb -0.11 -2.15 -0.07 0.00 1.00 0.00 0.00 33.01 31.68 1ipc s GLN 80 CO 0.21 -1.19 1.16 -0.51 -2.12 0.00 0.00 175.29 172.83 1ipc s LEU 81 N -3.70 3.91 0.30 2.90 1.43 -1.26 -4.91 118.68 117.34 1ipc s LEU 81 Ca 0.74 2.27 0.06 0.00 -1.03 0.00 0.00 54.13 56.16 1ipc s LEU 81 Cb -0.37 -4.37 0.76 0.00 0.03 0.00 0.00 46.19 42.24 1ipc s LEU 81 CO 0.42 -1.05 1.76 0.28 0.23 0.00 0.00 176.35 177.99 1ipc h SER 82 N 1.70 0.70 0.00 2.29 0.02 -1.95 0.55 113.55 116.86 1ipc h SER 82 Ca -0.50 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1ipc h SER 82 Cb 1.25 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1ipc h SER 82 CO 0.59 0.20 0.01 0.77 -1.14 0.00 0.00 176.83 177.26 1ipc h SER 83 N 0.68 0.00 0.09 3.07 4.64 -1.91 -2.08 113.55 118.04 1ipc h SER 83 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1ipc h SER 83 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1ipc h SER 83 CO -0.42 0.00 -0.56 0.59 -0.87 0.00 0.00 176.83 175.57 1ipc n ASN 84 N -2.80 1.42 -4.81 4.97 3.02 0.18 -4.98 115.26 112.26 1ipc n ASN 84 Ca -0.02 -1.13 -0.32 0.00 -0.03 0.00 0.00 54.58 53.08 1ipc n ASN 84 Cb 0.07 0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.79 1ipc n ASN 84 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ipc s LEU 85 N -2.66 3.24 0.32 3.41 1.43 -0.79 -5.00 118.68 118.62 1ipc s LEU 85 Ca 0.16 1.69 -0.28 0.00 -1.03 0.00 0.00 54.13 54.68 1ipc s LEU 85 Cb 0.18 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 1ipc s LEU 85 CO 0.65 -1.40 1.12 -0.04 0.23 0.00 0.00 176.35 176.91 1ipc s MET 86 N -4.74 4.47 0.27 1.70 -1.94 -1.26 -4.95 119.30 112.84 1ipc s MET 86 Ca 0.60 1.81 -0.30 0.00 -1.71 0.00 0.00 55.69 56.09 1ipc s MET 86 Cb -0.15 -3.02 -0.14 0.00 2.01 0.00 0.00 34.83 33.54 1ipc s MET 86 CO 0.49 0.05 1.27 -2.30 -0.01 0.00 0.00 175.02 174.52 1ipc n PRO 87 N 0.83 1.81 0.00 2.03 -0.02 -1.26 -2.38 135.00 136.00 1ipc n PRO 87 Ca 0.01 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1ipc n PRO 87 Cb 0.45 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1ipc n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ipc n GLY 88 N 1.59 0.43 3.91 -1.23 0.00 0.13 -4.88 105.19 105.14 1ipc n GLY 88 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1ipc n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipc s ASP 90 N -3.19 1.42 0.00 0.00 1.01 -0.79 -1.71 116.67 113.41 1ipc s ASP 90 Ca 0.43 -1.04 0.06 0.00 0.71 0.00 0.00 52.55 52.72 1ipc s ASP 90 Cb -0.11 0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.86 1ipc s ASP 90 CO 0.30 -0.43 -0.20 -0.31 0.21 0.00 0.00 175.17 174.74 1ipc s TYR 91 N -3.51 1.78 -0.06 4.23 4.12 -0.97 -1.27 117.35 121.66 1ipc s TYR 91 Ca 0.16 -0.35 -0.03 0.00 0.02 0.00 0.00 57.07 56.87 1ipc s TYR 91 Cb 0.04 -1.11 0.04 0.00 -1.52 0.00 0.00 41.96 39.41 1ipc s TYR 91 CO -0.01 0.01 0.13 -1.12 0.02 0.00 0.00 175.55 174.58 1ipc s SER 92 N -0.71 0.00 -0.26 2.29 0.01 -0.65 -1.26 113.70 113.13 1ipc s SER 92 Ca 0.07 0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.60 1ipc s SER 92 Cb -0.08 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.35 1ipc s SER 92 CO 0.00 -0.16 -0.06 -0.22 0.41 0.00 0.00 173.24 173.21 1ipc s LEU 93 N 1.28 3.33 0.08 2.44 2.96 -0.56 0.01 118.68 128.22 1ipc s LEU 93 Ca -0.08 -1.04 0.06 0.00 -0.22 0.00 0.00 54.13 52.85 1ipc s LEU 93 Cb -0.12 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1ipc s LEU 93 CO -0.06 -0.16 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.30 1ipc s PHE 94 N 1.27 1.36 0.37 5.38 0.40 -0.62 -1.05 117.98 125.08 1ipc s PHE 94 Ca -0.02 -0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 55.58 1ipc s PHE 94 Cb -0.18 -0.76 -0.11 0.00 0.51 0.00 0.00 43.02 42.48 1ipc s PHE 94 CO -0.04 0.09 1.37 1.63 0.70 0.00 0.00 175.22 178.97 1ipc n LYS 95 N 1.22 2.33 -1.64 0.44 5.02 -0.51 -0.97 118.16 124.04 1ipc n LYS 95 Ca -0.21 0.82 -0.52 0.00 -2.02 0.00 0.00 58.31 56.38 1ipc n LYS 95 Cb 0.54 -2.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.01 1ipc n LYS 95 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ipc n ASP 96 N 0.55 2.22 0.00 4.39 2.03 -0.23 -1.09 116.55 124.42 1ipc n ASP 96 Ca 0.04 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1ipc n ASP 96 Cb 0.38 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1ipc n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ipc n GLY 97 N 3.24 1.88 3.29 0.27 0.00 -1.26 -5.01 105.19 107.61 1ipc n GLY 97 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1ipc n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ipc s ILE 98 N -2.46 3.81 0.34 -0.61 1.09 -0.25 -5.03 121.20 118.09 1ipc s ILE 98 Ca 0.00 -0.99 -0.27 0.00 -1.10 0.00 0.00 60.65 58.29 1ipc s ILE 98 Cb 0.00 -3.09 -0.09 0.00 -1.06 0.00 0.00 42.46 38.22 1ipc s ILE 98 CO 0.00 -0.08 1.12 -1.61 -0.10 0.00 0.00 174.94 174.27 1ipc s GLU 99 N 1.43 4.35 -0.73 2.79 2.02 -1.26 -4.59 118.70 122.71 1ipc s GLU 99 Ca -0.00 1.78 -0.06 0.00 0.02 0.00 0.00 54.97 56.71 1ipc s GLU 99 Cb -0.19 -2.89 -0.11 0.00 0.10 0.00 0.00 34.13 31.04 1ipc s GLU 99 CO 0.02 -0.05 2.54 -0.35 0.02 0.00 0.00 175.26 177.45 1ipc n PRO 100 N 0.57 2.20 -3.95 0.39 -0.04 -1.26 -4.75 135.00 128.16 1ipc n PRO 100 Ca 0.02 -1.34 -0.09 0.00 -0.04 0.00 0.00 63.50 62.04 1ipc n PRO 100 Cb 0.46 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 1ipc n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ipc s MET 101 N 2.44 0.53 0.22 0.54 0.23 -1.26 -5.06 119.30 116.95 1ipc s MET 101 Ca 0.49 -0.74 -0.07 0.00 -1.03 0.00 0.00 55.69 54.34 1ipc s MET 101 Cb 0.17 0.20 0.35 0.00 -1.53 0.00 0.00 34.83 34.02 1ipc s MET 101 CO -0.03 -0.12 1.75 -1.49 -2.03 0.00 0.00 175.02 173.10 1ipc h TRP 102 N 3.84 0.50 -0.08 3.16 6.55 -1.91 -2.60 115.95 125.41 1ipc h TRP 102 Ca -0.32 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.57 1ipc h TRP 102 Cb 1.19 -0.12 -0.00 0.00 -0.86 0.00 0.00 29.16 29.36 1ipc h TRP 102 CO 0.57 0.12 0.14 0.93 -1.05 0.00 0.00 178.44 179.15 1ipc h GLU 103 N 0.47 0.00 -6.82 0.49 3.07 -1.94 -0.23 114.58 109.62 1ipc h GLU 103 Ca 0.35 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.64 1ipc h GLU 103 Cb 0.45 0.00 0.16 0.00 -0.84 0.00 0.00 28.75 28.52 1ipc h GLU 103 CO -0.33 0.00 0.16 -3.47 -1.40 0.00 0.00 179.01 173.97 1ipc n ASP 104 N -3.51 0.97 -0.30 1.42 2.03 -0.98 -4.63 116.55 111.56 1ipc n ASP 104 Ca -0.01 0.85 0.08 0.00 0.52 0.00 0.00 54.79 56.24 1ipc n ASP 104 Cb 0.23 -1.40 0.30 0.00 -0.72 0.00 0.00 41.12 39.54 1ipc n ASP 104 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ipc h GLU 105 N 0.72 0.84 -0.00 -0.67 4.81 -1.91 0.10 114.58 118.47 1ipc h GLU 105 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1ipc h GLU 105 Cb 1.36 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ipc h GLU 105 CO 0.52 0.55 -0.12 1.63 -0.73 0.00 0.00 179.01 180.87 1ipc n LYS 106 N -4.55 0.68 -0.01 1.92 4.76 -1.26 -4.26 118.16 115.44 1ipc n LYS 106 Ca 0.16 -0.24 -0.01 0.00 -2.87 0.00 0.00 58.31 55.35 1ipc n LYS 106 Cb 0.35 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1ipc n LYS 106 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ipc n ASN 107 N -0.95 4.62 -0.35 4.39 3.02 -0.67 -4.10 115.26 121.22 1ipc n ASN 107 Ca 0.14 -0.00 0.28 0.00 -0.03 0.00 0.00 54.58 54.97 1ipc n ASN 107 Cb 0.28 0.47 0.57 0.00 -0.61 0.00 0.00 39.78 40.50 1ipc n ASN 107 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1ipc h LYS 108 N 0.00 0.26 -0.47 3.52 -0.00 0.89 0.30 116.57 121.07 1ipc h LYS 108 Ca -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.60 1ipc h LYS 108 Cb 1.07 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 33.24 1ipc h LYS 108 CO 0.00 0.17 0.00 0.54 -0.00 0.00 0.00 179.45 180.16 1ipc n ARG 109 N -4.57 2.50 0.00 0.07 1.74 -1.26 -4.38 116.66 110.76 1ipc n ARG 109 Ca 0.28 -2.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1ipc n ARG 109 Cb 1.05 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1ipc n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ipc n GLY 110 N 1.52 2.30 0.00 -0.13 0.00 0.11 -1.35 105.19 107.63 1ipc n GLY 110 Ca 0.20 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1ipc n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipc n GLY 111 N 5.00 2.02 3.13 -0.02 0.00 -0.93 -1.39 105.19 112.99 1ipc n GLY 111 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 1ipc n GLY 111 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ipc s ARG 112 N -0.63 0.44 -0.31 1.61 1.70 -0.13 -1.29 118.95 120.33 1ipc s ARG 112 Ca 0.00 -0.13 -0.18 0.00 -0.47 0.00 0.00 55.73 54.94 1ipc s ARG 112 Cb 0.00 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1ipc s ARG 112 CO 0.00 -0.10 0.53 -1.58 -1.08 0.00 0.00 175.30 173.08 1ipc s TRP 113 N -0.87 3.21 -0.15 5.89 0.52 -0.21 -1.38 118.94 125.94 1ipc s TRP 113 Ca -0.10 0.39 -0.13 0.00 0.02 0.00 0.00 56.10 56.29 1ipc s TRP 113 Cb -0.05 -2.88 -0.05 0.00 -1.15 0.00 0.00 33.47 29.34 1ipc s TRP 113 CO 0.02 -0.45 0.27 -1.17 0.02 0.00 0.00 176.95 175.64 1ipc s LEU 114 N 2.41 4.26 -0.33 2.99 2.96 -0.82 -2.36 118.68 127.81 1ipc s LEU 114 Ca 0.21 0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 54.55 1ipc s LEU 114 Cb -0.15 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.24 1ipc s LEU 114 CO 0.12 0.15 0.09 -0.63 -1.32 0.00 0.00 176.35 174.76 1ipc s ILE 115 N 0.25 3.79 -0.29 6.68 -1.09 0.69 -4.30 121.20 126.93 1ipc s ILE 115 Ca 0.16 -1.03 -0.11 0.00 -2.23 0.00 0.00 60.65 57.44 1ipc s ILE 115 Cb -0.13 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 1ipc s ILE 115 CO 0.04 -0.11 0.18 0.42 -1.23 0.00 0.00 174.94 174.24 1ipc s THR 116 N 1.42 5.06 0.09 2.92 -4.23 -1.26 -1.88 115.64 117.77 1ipc s THR 116 Ca -0.01 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1ipc s THR 116 Cb -0.19 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1ipc s THR 116 CO 0.02 0.18 0.20 -0.76 -0.54 0.00 0.00 174.62 173.72 1ipc s LEU 117 N 1.71 4.21 0.51 4.79 1.43 -0.68 -5.05 118.68 125.60 1ipc s LEU 117 Ca 0.06 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1ipc s LEU 117 Cb -0.16 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.26 1ipc s LEU 117 CO 0.09 0.13 0.74 0.54 0.23 0.00 0.00 176.35 178.08 1ipc s ASN 118 N -2.72 5.49 0.54 2.29 2.20 -1.26 -3.77 114.94 117.71 1ipc s ASN 118 Ca 0.34 0.13 0.25 0.00 -0.94 0.00 0.00 52.86 52.63 1ipc s ASN 118 Cb -0.12 -1.15 1.42 0.00 -2.00 0.00 0.00 41.25 39.39 1ipc s ASN 118 CO 0.27 -0.97 2.02 0.11 -2.94 0.00 0.00 177.10 175.58 1ipc h LYS 119 N 0.19 0.00 -0.00 3.55 1.57 -1.92 -0.88 116.57 119.07 1ipc h LYS 119 Ca -0.44 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.19 1ipc h LYS 119 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1ipc h LYS 119 CO 0.54 0.00 -0.72 1.96 -0.57 0.00 0.00 179.45 180.67 1ipc h GLN 120 N 0.00 0.03 0.00 3.15 7.50 -2.01 -3.18 115.11 120.60 1ipc h GLN 120 Ca 0.21 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.33 1ipc h GLN 120 Cb 0.87 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.41 1ipc h GLN 120 CO -0.00 0.74 0.00 1.04 -1.50 0.00 0.00 178.83 179.10 1ipc n GLN 121 N -3.70 0.10 -0.16 1.46 6.02 -0.34 -2.70 117.38 118.06 1ipc n GLN 121 Ca -0.01 0.38 -0.05 0.00 -0.01 0.00 0.00 57.00 57.30 1ipc n GLN 121 Cb 0.70 -1.70 0.04 0.00 1.02 0.00 0.00 30.24 30.31 1ipc n GLN 121 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ipc h ARG 122 N 0.00 0.49 0.11 -1.09 9.65 -1.61 0.13 114.38 122.05 1ipc h ARG 122 Ca 0.00 -0.03 -0.19 0.00 -1.10 0.00 0.00 59.98 58.66 1ipc h ARG 122 Cb 0.26 -0.11 0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1ipc h ARG 122 CO 0.00 0.32 -0.80 -0.09 2.80 0.00 0.00 179.97 182.20 1ipc h ARG 123 N 0.51 0.35 0.21 0.20 2.43 -1.75 -3.35 114.38 112.98 1ipc h ARG 123 Ca 0.21 -0.52 -0.30 0.00 -0.81 0.00 0.00 59.98 58.55 1ipc h ARG 123 Cb 0.10 0.18 0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1ipc h ARG 123 CO -0.14 1.22 -1.37 0.66 -1.51 0.00 0.00 179.97 178.83 1ipc h SER 124 N -0.25 0.69 0.00 -3.80 4.64 -1.43 -3.44 113.55 109.96 1ipc h SER 124 Ca -0.13 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.26 1ipc h SER 124 Cb 1.59 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1ipc h SER 124 CO 0.15 1.65 -0.78 0.47 -0.87 0.00 0.00 176.83 177.46 1ipc n ASP 125 N -3.81 3.88 -0.14 4.97 8.00 0.21 -4.80 116.55 124.87 1ipc n ASP 125 Ca -0.18 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.20 1ipc n ASP 125 Cb 1.02 0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 42.72 1ipc n ASP 125 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ipc h LEU 126 N 0.00 -1.61 -0.59 0.64 5.85 -1.02 0.21 115.31 118.80 1ipc h LEU 126 Ca 0.00 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1ipc h LEU 126 Cb 0.22 0.69 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1ipc h LEU 126 CO 0.00 -0.38 0.15 0.44 -0.34 0.00 0.00 178.44 178.31 1ipc h ASP 127 N -0.35 0.89 0.41 1.25 3.45 -1.85 -0.39 116.42 119.82 1ipc h ASP 127 Ca 0.12 -0.23 -0.15 0.00 0.43 0.00 0.00 57.03 57.20 1ipc h ASP 127 Cb 0.59 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 1ipc h ASP 127 CO -0.59 0.88 -0.63 0.08 -1.57 0.00 0.00 179.24 177.41 1ipc h ARG 128 N 0.85 0.21 -0.40 3.56 0.11 -1.79 -2.07 114.38 114.84 1ipc h ARG 128 Ca 0.19 -0.15 -0.11 0.00 0.10 0.00 0.00 59.98 60.01 1ipc h ARG 128 Cb 0.34 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1ipc h ARG 128 CO 0.00 0.77 -0.17 0.74 0.10 0.00 0.00 179.97 181.41 1ipc h PHE 129 N 0.15 0.94 -0.33 4.08 0.05 -0.41 -2.07 116.94 119.35 1ipc h PHE 129 Ca -0.01 -0.23 -0.04 0.00 3.82 0.00 0.00 57.97 61.52 1ipc h PHE 129 Cb 1.14 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.85 1ipc h PHE 129 CO 0.02 0.98 0.06 2.35 -0.18 0.00 0.00 178.31 181.54 1ipc h TRP 130 N 0.63 0.59 -0.86 -0.55 2.91 -0.98 -1.15 115.95 116.54 1ipc h TRP 130 Ca 0.09 -0.08 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1ipc h TRP 130 Cb 0.72 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 1ipc h TRP 130 CO 0.06 0.62 0.47 1.25 -1.03 0.00 0.00 178.44 179.80 1ipc h LEU 131 N 0.39 1.08 -1.10 0.65 5.85 -1.34 0.29 115.31 121.12 1ipc h LEU 131 Ca 0.10 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1ipc h LEU 131 Cb 0.34 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1ipc h LEU 131 CO 0.01 0.87 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.76 1ipc h GLU 132 N 1.21 0.49 -0.23 1.25 4.57 -1.21 -0.68 114.58 119.97 1ipc h GLU 132 Ca 0.30 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1ipc h GLU 132 Cb 0.04 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1ipc h GLU 132 CO -0.05 0.61 0.03 1.15 -1.18 0.00 0.00 179.01 179.57 1ipc h THR 133 N 0.45 1.24 -0.62 0.32 2.02 -0.19 -0.38 112.91 115.75 1ipc h THR 133 Ca 0.08 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1ipc h THR 133 Cb 0.50 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1ipc h THR 133 CO 0.03 0.25 0.37 -0.07 0.37 0.00 0.00 175.52 176.47 1ipc h LEU 134 N 0.18 0.59 -0.99 2.58 3.38 -0.52 -1.88 115.31 118.64 1ipc h LEU 134 Ca 0.07 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1ipc h LEU 134 Cb 0.35 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ipc h LEU 134 CO 0.01 0.40 -0.15 -0.07 0.09 0.00 0.00 178.44 178.72 1ipc h LEU 135 N 0.72 0.54 -0.69 1.67 3.38 -0.95 -1.67 115.31 118.30 1ipc h LEU 135 Ca 0.26 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1ipc h LEU 135 Cb 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1ipc h LEU 135 CO -0.12 0.72 0.13 0.00 0.09 0.00 0.00 178.44 179.25 1ipc h LEU 137 N 1.06 -0.66 -1.76 0.00 3.38 -1.03 -0.48 115.31 115.83 1ipc h LEU 137 Ca 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1ipc h LEU 137 Cb 0.43 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ipc h LEU 137 CO 0.01 -0.30 -0.07 0.16 0.09 0.00 0.00 178.44 178.33 1ipc h ILE 138 N -1.11 0.23 -0.25 1.22 3.07 -1.38 -1.84 117.51 117.45 1ipc h ILE 138 Ca -0.08 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.79 1ipc h ILE 138 Cb 0.59 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1ipc h ILE 138 CO 0.13 0.07 0.00 0.61 -1.05 0.00 0.00 178.15 177.91 1ipc n GLY 139 N -0.30 0.78 3.92 0.16 0.00 -0.26 -4.52 105.19 104.97 1ipc n GLY 139 Ca -0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1ipc n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ipc n GLU 140 N 0.72 -3.68 0.00 1.61 -0.58 -0.69 -4.85 120.64 113.17 1ipc n GLU 140 Ca 0.17 0.45 0.06 0.00 -0.42 0.00 0.00 57.16 57.42 1ipc n GLU 140 Cb 0.42 -4.73 0.26 0.00 -0.57 0.00 0.00 31.44 26.82 1ipc n GLU 140 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ipc n SER 141 N -2.97 0.00 -1.19 1.62 7.64 -0.21 -2.54 113.62 115.97 1ipc n SER 141 Ca -0.27 0.39 0.08 0.00 1.01 0.00 0.00 58.87 60.08 1ipc n SER 141 Cb 0.67 -0.44 0.26 0.00 -1.01 0.00 0.00 64.21 63.69 1ipc n SER 141 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ipc n PHE 142 N -1.44 1.00 0.00 1.43 3.01 -1.26 -4.99 117.46 115.21 1ipc n PHE 142 Ca 0.04 -0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.07 1ipc n PHE 142 Cb 0.12 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1ipc n PHE 142 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ipc n ASP 143 N 0.91 0.00 0.17 4.37 10.43 -1.05 -1.15 116.55 130.23 1ipc n ASP 143 Ca 0.19 0.00 0.18 0.00 2.57 0.00 0.00 54.79 57.74 1ipc n ASP 143 Cb 0.62 0.00 0.74 0.00 1.84 0.00 0.00 41.12 44.32 1ipc n ASP 143 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1ipc h ASP 144 N 0.00 0.00 -0.40 -2.24 5.19 -1.94 -1.22 116.42 115.80 1ipc h ASP 144 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ipc h ASP 144 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ipc h ASP 144 CO 0.00 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.90 1ipc n TYR 145 N -3.39 1.47 0.02 4.55 4.02 -0.30 -4.62 117.16 118.90 1ipc n TYR 145 Ca 0.05 -0.82 0.12 0.00 -0.01 0.00 0.00 57.90 57.23 1ipc n TYR 145 Cb 0.58 -0.41 0.56 0.00 -0.02 0.00 0.00 39.34 40.05 1ipc n TYR 145 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1ipc h SER 146 N 2.76 0.23 0.68 7.72 0.02 -1.29 -1.75 113.55 121.93 1ipc h SER 146 Ca 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1ipc h SER 146 Cb 1.70 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 64.19 1ipc h SER 146 CO 0.35 0.15 -0.10 0.44 -1.14 0.00 0.00 176.83 176.53 1ipc h ASP 147 N 0.26 0.00 1.58 3.07 3.32 -1.84 -2.53 116.42 120.28 1ipc h ASP 147 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1ipc h ASP 147 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1ipc h ASP 147 CO -0.04 0.10 -0.18 0.44 -1.72 0.00 0.00 179.24 177.84 1ipc h ASP 148 N 0.00 0.00 -3.45 6.45 5.19 -1.68 -3.46 116.42 119.47 1ipc h ASP 148 Ca -0.00 -0.02 -0.53 0.00 -0.62 0.00 0.00 57.03 55.85 1ipc h ASP 148 Cb 0.47 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1ipc h ASP 148 CO 0.01 0.01 0.35 -0.69 -3.12 0.00 0.00 179.24 175.80 1ipc s VAL 149 N -3.18 4.77 -0.21 -1.35 1.01 -0.95 -0.30 120.40 120.18 1ipc s VAL 149 Ca 0.07 2.02 -0.01 0.00 0.00 0.00 0.00 61.98 64.06 1ipc s VAL 149 Cb 0.09 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 32.04 1ipc s VAL 149 CO 0.66 0.22 -0.21 0.00 0.00 0.00 0.00 175.10 175.77 1ipc n GLY 151 N 2.31 -0.63 3.18 0.00 0.00 -1.21 -1.42 105.19 107.43 1ipc n GLY 151 Ca -0.39 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 1ipc n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipc s ALA 152 N -1.00 -0.27 -0.03 4.61 0.00 -0.22 -0.63 121.76 124.23 1ipc s ALA 152 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1ipc s ALA 152 Cb 0.00 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1ipc s ALA 152 CO 0.00 -0.39 -0.07 0.08 0.00 0.00 0.00 175.76 175.38 1ipc s VAL 153 N -2.93 0.61 -0.16 0.00 1.01 0.03 -1.50 120.40 117.46 1ipc s VAL 153 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1ipc s VAL 153 Cb 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1ipc s VAL 153 CO -0.06 0.21 -0.11 0.54 0.00 0.00 0.00 175.10 175.68 1ipc s VAL 154 N 0.34 3.08 -0.28 2.92 0.11 -0.39 -1.11 120.40 125.07 1ipc s VAL 154 Ca -0.05 -0.63 -0.08 0.00 -2.93 0.00 0.00 61.98 58.30 1ipc s VAL 154 Cb -0.09 -2.33 -0.01 0.00 -1.53 0.00 0.00 36.38 32.42 1ipc s VAL 154 CO 0.00 0.50 0.09 0.20 -3.33 0.00 0.00 175.10 172.56 1ipc s ASN 155 N 0.76 5.22 -0.38 3.54 -0.87 0.18 -2.30 114.94 121.09 1ipc s ASN 155 Ca -0.05 -0.45 -0.21 0.00 -1.57 0.00 0.00 52.86 50.59 1ipc s ASN 155 Cb -0.15 -1.93 0.01 0.00 -0.02 0.00 0.00 41.25 39.16 1ipc s ASN 155 CO 0.01 -0.13 0.65 -0.69 -2.57 0.00 0.00 177.10 174.37 1ipc s VAL 156 N 1.58 4.86 0.00 1.60 1.01 -0.69 -1.45 120.40 127.31 1ipc s VAL 156 Ca 0.05 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.52 1ipc s VAL 156 Cb -0.16 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1ipc s VAL 156 CO 0.04 -0.40 -0.05 -0.13 0.00 0.00 0.00 175.10 174.56 1ipc s ARG 157 N 2.77 0.36 0.38 2.72 1.81 -1.26 0.22 118.95 125.96 1ipc s ARG 157 Ca 0.24 -0.24 0.06 0.00 -1.72 0.00 0.00 55.73 54.08 1ipc s ARG 157 Cb -0.14 -0.31 0.77 0.00 -0.45 0.00 0.00 34.95 34.82 1ipc s ARG 157 CO 0.16 0.08 2.00 0.00 -0.68 0.00 0.00 175.30 176.86 1ipc h ALA 158 N 5.81 1.60 0.00 2.13 0.00 -1.95 -1.96 119.26 124.88 1ipc h ALA 158 Ca -0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ipc h ALA 158 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ipc h ALA 158 CO 0.49 0.33 -0.00 1.63 0.00 0.00 0.00 179.25 181.70 1ipc n LYS 159 N -4.41 0.06 0.00 0.00 4.76 -1.26 -4.90 118.16 112.40 1ipc n LYS 159 Ca 0.03 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1ipc n LYS 159 Cb 0.11 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1ipc n LYS 159 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ipc n GLY 160 N 1.46 3.31 3.73 0.72 0.00 -0.74 -4.73 105.19 108.94 1ipc n GLY 160 Ca 0.07 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1ipc n GLY 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ipc s ASP 161 N 0.00 3.86 -0.01 1.61 1.01 -1.22 -4.42 116.67 117.50 1ipc s ASP 161 Ca 0.00 1.93 -0.02 0.00 0.71 0.00 0.00 52.55 55.16 1ipc s ASP 161 Cb 0.00 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 1ipc s ASP 161 CO 0.00 -2.46 0.05 -0.54 0.21 0.00 0.00 175.17 172.43 1ipc s LYS 162 N -4.81 0.19 0.04 8.23 1.02 -0.53 -1.69 119.74 122.18 1ipc s LYS 162 Ca 0.63 -0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.53 1ipc s LYS 162 Cb -0.19 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.17 1ipc s LYS 162 CO 0.57 -0.03 -0.12 0.42 -0.92 0.00 0.00 175.35 175.27 1ipc s ILE 163 N -0.50 0.90 -0.13 2.17 1.09 -0.79 0.51 121.20 124.46 1ipc s ILE 163 Ca -0.06 -0.93 -0.22 0.00 -1.10 0.00 0.00 60.65 58.35 1ipc s ILE 163 Cb -0.04 -0.84 0.05 0.00 -1.06 0.00 0.00 42.46 40.58 1ipc s ILE 163 CO 0.00 -0.07 0.55 0.00 -0.10 0.00 0.00 174.94 175.32 1ipc s ALA 164 N -0.89 -1.39 -0.22 9.38 0.00 -0.27 -0.22 121.76 128.15 1ipc s ALA 164 Ca -0.01 1.30 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 1ipc s ALA 164 Cb -0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1ipc s ALA 164 CO 0.01 -0.29 0.10 0.42 0.00 0.00 0.00 175.76 175.99 1ipc s ILE 165 N -0.40 4.86 -0.12 0.00 1.01 -0.99 -0.79 121.20 124.77 1ipc s ILE 165 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 1ipc s ILE 165 Cb -0.03 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1ipc s ILE 165 CO 0.04 0.39 0.18 0.26 0.00 0.00 0.00 174.94 175.80 1ipc s TRP 166 N 0.93 3.58 0.20 3.97 0.52 0.20 -1.05 118.94 127.29 1ipc s TRP 166 Ca 0.05 0.56 0.09 0.00 0.02 0.00 0.00 56.10 56.82 1ipc s TRP 166 Cb -0.14 -2.03 -0.05 0.00 -1.15 0.00 0.00 33.47 30.11 1ipc s TRP 166 CO 0.03 0.64 -0.17 0.95 0.02 0.00 0.00 176.95 178.41 1ipc s THR 167 N -0.75 1.92 0.20 2.01 -4.23 -0.41 -1.41 115.64 112.96 1ipc s THR 167 Ca 0.15 -2.13 0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1ipc s THR 167 Cb -0.12 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1ipc s THR 167 CO 0.04 -0.44 1.53 0.00 -0.54 0.00 0.00 174.62 175.22 1ipc h THR 168 N 2.79 1.41 -3.09 3.99 1.03 -0.80 -2.47 112.91 115.77 1ipc h THR 168 Ca -0.40 -2.38 -0.45 0.00 -0.01 0.00 0.00 66.41 63.17 1ipc h THR 168 Cb 1.22 2.31 -0.41 0.00 -1.07 0.00 0.00 68.15 70.20 1ipc h THR 168 CO 0.57 0.66 -0.75 -0.70 -0.01 0.00 0.00 175.52 175.29 1ipc s GLU 169 N -3.35 0.07 0.44 0.00 2.56 -1.26 -2.29 118.70 114.88 1ipc s GLU 169 Ca -0.00 -0.04 0.31 0.00 0.00 0.00 0.00 54.97 55.23 1ipc s GLU 169 Cb 0.12 -1.69 1.51 0.00 2.00 0.00 0.00 34.13 36.06 1ipc s GLU 169 CO 0.77 -0.63 1.93 0.00 -0.56 0.00 0.00 175.26 176.76 1ipc n GLU 171 N -2.63 0.32 -2.63 0.00 -0.58 -1.26 -4.49 120.64 109.37 1ipc n GLU 171 Ca -0.01 -0.13 -0.43 0.00 -0.42 0.00 0.00 57.16 56.17 1ipc n GLU 171 Cb 0.14 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1ipc n GLU 171 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ipc n ASN 172 N -1.23 5.06 -0.21 1.62 3.02 -0.83 -4.83 115.26 117.86 1ipc n ASN 172 Ca 0.10 -3.00 0.01 0.00 -0.03 0.00 0.00 54.58 51.66 1ipc n ASN 172 Cb 0.32 -1.57 0.12 0.00 -0.61 0.00 0.00 39.78 38.03 1ipc n ASN 172 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1ipc h ARG 173 N 6.68 0.22 -0.02 3.52 2.43 -1.86 0.13 114.38 125.48 1ipc h ARG 173 Ca 0.38 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.54 1ipc h ARG 173 Cb 0.78 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1ipc h ARG 173 CO 1.43 0.14 -0.04 1.49 -1.51 0.00 0.00 179.97 181.49 1ipc h GLU 174 N 0.22 -0.06 -0.14 0.20 4.81 -1.98 0.49 114.58 118.12 1ipc h GLU 174 Ca 0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1ipc h GLU 174 Cb 0.51 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1ipc h GLU 174 CO -0.45 -0.04 0.04 0.00 -0.73 0.00 0.00 179.01 177.83 1ipc h ALA 175 N 0.95 0.18 -0.17 2.92 0.00 -1.88 -2.39 119.26 118.87 1ipc h ALA 175 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ipc h ALA 175 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ipc h ALA 175 CO -0.05 -0.19 0.10 0.28 0.00 0.00 0.00 179.25 179.39 1ipc h VAL 176 N 0.03 1.02 -0.62 0.00 2.07 -0.86 -1.16 116.25 116.72 1ipc h VAL 176 Ca 0.04 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1ipc h VAL 176 Cb 0.25 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1ipc h VAL 176 CO 0.00 0.04 0.07 0.71 0.02 0.00 0.00 177.57 178.41 1ipc h THR 177 N 0.21 1.26 -0.70 2.57 1.35 -0.92 -1.64 112.91 115.04 1ipc h THR 177 Ca 0.07 -1.06 -0.08 0.00 -0.55 0.00 0.00 66.41 64.79 1ipc h THR 177 Cb -0.00 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 67.12 1ipc h THR 177 CO -0.03 0.39 0.14 0.45 -0.25 0.00 0.00 175.52 176.22 1ipc h HIS 178 N 0.95 1.20 -0.46 4.73 -0.00 -1.33 -1.70 115.15 118.55 1ipc h HIS 178 Ca 0.18 -0.15 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1ipc h HIS 178 Cb 0.47 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1ipc h HIS 178 CO 0.03 0.99 0.15 0.82 -0.00 0.00 0.00 177.93 179.92 1ipc h ILE 179 N 1.07 1.22 -0.41 2.45 2.04 -1.04 -1.77 117.51 121.07 1ipc h ILE 179 Ca 0.22 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1ipc h ILE 179 Cb 0.41 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1ipc h ILE 179 CO 0.01 0.26 0.20 1.23 0.00 0.00 0.00 178.15 179.85 1ipc h GLY 180 N 0.61 0.63 0.97 5.37 0.00 -1.10 0.38 103.07 109.94 1ipc h GLY 180 Ca 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1ipc h GLY 180 CO -0.01 0.30 0.05 -0.09 0.00 0.00 0.00 176.54 176.79 1ipc h ARG 181 N 0.53 0.12 -0.07 4.80 2.43 -1.22 0.08 114.38 121.05 1ipc h ARG 181 Ca 0.14 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ipc h ARG 181 Cb 0.11 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ipc h ARG 181 CO -0.02 0.12 0.04 0.28 -1.51 0.00 0.00 179.97 178.88 1ipc h VAL 182 N 0.09 1.05 -0.16 0.20 2.07 -1.21 -0.96 116.25 117.33 1ipc h VAL 182 Ca 0.03 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1ipc h VAL 182 Cb 0.03 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1ipc h VAL 182 CO -0.01 0.04 0.02 0.22 0.02 0.00 0.00 177.57 177.87 1ipc h TYR 183 N 0.06 0.03 -0.79 1.57 3.20 -0.77 0.26 116.97 120.52 1ipc h TYR 183 Ca 0.03 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1ipc h TYR 183 Cb 0.03 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 1ipc h TYR 183 CO -0.06 0.00 0.50 -0.22 -1.64 0.00 0.00 178.16 176.74 1ipc h LYS 184 N 0.08 0.92 -0.41 1.82 3.64 -0.84 -1.65 116.57 120.13 1ipc h LYS 184 Ca 0.07 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1ipc h LYS 184 Cb 0.07 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1ipc h LYS 184 CO -0.10 0.61 0.02 1.49 -2.27 0.00 0.00 179.45 179.19 1ipc h GLU 185 N 0.95 0.72 -0.89 1.90 4.81 -0.70 -2.80 114.58 118.57 1ipc h GLU 185 Ca 0.33 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ipc h GLU 185 Cb 0.06 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1ipc h GLU 185 CO -0.13 0.79 0.56 0.00 -0.73 0.00 0.00 179.01 179.50 1ipc h ARG 186 N 0.56 1.20 0.00 1.92 2.47 -0.53 -1.66 114.38 118.34 1ipc h ARG 186 Ca 0.12 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 1ipc h ARG 186 Cb 0.46 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1ipc h ARG 186 CO 0.02 0.82 -0.26 -0.07 0.56 0.00 0.00 179.97 181.04 1ipc h LEU 187 N 1.22 0.00 0.32 3.04 3.38 -1.24 -3.47 115.31 118.56 1ipc h LEU 187 Ca 0.32 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 1ipc h LEU 187 Cb -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1ipc h LEU 187 CO -0.06 0.26 -0.12 0.61 0.09 0.00 0.00 178.44 179.22 1ipc n GLY 188 N -0.74 0.86 3.82 0.83 0.00 -0.63 -5.00 105.19 104.34 1ipc n GLY 188 Ca -0.02 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1ipc n GLY 188 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ipc s LEU 189 N -1.49 2.46 -0.03 0.99 0.05 -1.26 -4.91 118.68 114.49 1ipc s LEU 189 Ca 0.00 1.12 -0.37 0.00 0.05 0.00 0.00 54.13 54.93 1ipc s LEU 189 Cb 0.00 -3.66 -0.15 0.00 -2.05 0.00 0.00 46.19 40.32 1ipc s LEU 189 CO 0.00 -2.04 1.57 -2.65 -0.55 0.00 0.00 176.35 172.68 1ipc n PRO 190 N -3.46 1.46 -0.01 1.48 -0.02 -1.26 -4.84 135.00 128.36 1ipc n PRO 190 Ca 0.07 0.53 0.21 0.00 -2.02 0.00 0.00 63.50 62.29 1ipc n PRO 190 Cb 0.58 -2.23 0.70 0.00 -0.02 0.00 0.00 33.50 32.53 1ipc n PRO 190 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ipc h PRO 191 N 6.19 0.00 0.00 0.52 0.11 -1.96 -1.50 132.00 135.36 1ipc h PRO 191 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ipc h PRO 191 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ipc h PRO 191 CO 0.87 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 179.02 1ipc n LYS 192 N -4.29 0.09 -2.81 1.05 2.85 -1.26 -4.64 118.16 109.14 1ipc n LYS 192 Ca 0.10 0.32 -0.42 0.00 -1.05 0.00 0.00 58.31 57.26 1ipc n LYS 192 Cb 0.64 -1.67 -0.04 0.00 -0.65 0.00 0.00 35.03 33.31 1ipc n LYS 192 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1ipc s ILE 193 N -3.14 4.68 0.07 0.58 1.01 -0.57 -5.03 121.20 118.80 1ipc s ILE 193 Ca 0.06 1.46 -0.22 0.00 0.00 0.00 0.00 60.65 61.95 1ipc s ILE 193 Cb 0.10 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 1ipc s ILE 193 CO 0.34 -0.32 0.65 -0.69 0.00 0.00 0.00 174.94 174.91 1ipc s VAL 194 N 3.22 4.70 0.19 2.92 1.01 -1.26 -5.00 120.40 126.17 1ipc s VAL 194 Ca 0.38 1.39 0.10 0.00 0.00 0.00 0.00 61.98 63.85 1ipc s VAL 194 Cb -0.14 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1ipc s VAL 194 CO 0.13 0.49 -0.17 0.27 0.00 0.00 0.00 175.10 175.82 1ipc s ILE 195 N -0.73 2.78 0.28 2.22 -4.36 -1.26 -4.97 121.20 115.16 1ipc s ILE 195 Ca 0.32 -1.84 0.11 0.00 -0.26 0.00 0.00 60.65 58.98 1ipc s ILE 195 Cb -0.20 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.10 1ipc s ILE 195 CO 0.21 -0.11 -0.10 -0.83 0.24 0.00 0.00 174.94 174.35 1ipc s GLY 196 N -2.75 1.83 -0.16 6.27 0.00 -1.26 -2.39 107.32 108.86 1ipc s GLY 196 Ca 0.23 -1.81 -0.00 0.00 0.00 0.00 0.00 44.72 43.14 1ipc s GLY 196 CO 0.13 -1.87 -0.14 -0.47 0.00 0.00 0.00 173.10 170.75 1ipc s TYR 197 N -2.44 2.80 -0.03 1.90 5.04 -0.39 -1.94 117.35 122.29 1ipc s TYR 197 Ca 0.31 -0.96 0.08 0.00 -2.44 0.00 0.00 57.07 54.06 1ipc s TYR 197 Cb -0.05 -1.90 -0.02 0.00 0.35 0.00 0.00 41.96 40.35 1ipc s TYR 197 CO 0.17 -0.43 -0.26 1.14 -1.34 0.00 0.00 175.55 174.84 1ipc s GLN 198 N 0.78 2.16 0.28 4.97 -2.07 -0.48 -0.32 119.66 124.98 1ipc s GLN 198 Ca -0.05 -0.92 -0.29 0.00 -1.82 0.00 0.00 55.36 52.28 1ipc s GLN 198 Cb -0.15 -2.04 -0.09 0.00 -1.09 0.00 0.00 33.01 29.64 1ipc s GLN 198 CO 0.01 0.53 1.04 0.45 -1.32 0.00 0.00 175.29 175.99 1ipc s SER 199 N -0.53 7.34 0.14 12.60 0.15 -1.26 -0.95 113.70 131.18 1ipc s SER 199 Ca 0.08 2.13 -0.14 0.00 0.70 0.00 0.00 55.95 58.72 1ipc s SER 199 Cb -0.11 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1ipc s SER 199 CO -0.00 -0.08 1.63 0.45 1.20 0.00 0.00 173.24 176.44 1ipc h HIS 200 N 3.76 0.78 -0.10 3.44 -0.00 -1.54 -2.58 115.15 118.91 1ipc h HIS 200 Ca -0.46 -0.10 0.03 0.00 -0.00 0.00 0.00 60.37 59.83 1ipc h HIS 200 Cb 1.21 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1ipc h HIS 200 CO 0.59 0.73 0.11 0.00 -0.00 0.00 0.00 177.93 179.36 1ipc h ALA 201 N 0.96 1.71 -0.07 2.45 0.00 -1.78 -0.31 119.26 122.23 1ipc h ALA 201 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ipc h ALA 201 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ipc h ALA 201 CO 0.01 -0.16 0.00 -0.25 0.00 0.00 0.00 179.25 178.85 1ipc n ASP 202 N -3.88 0.53 -4.67 0.00 10.43 -0.97 -4.88 116.55 113.10 1ipc n ASP 202 Ca -0.01 -1.64 -0.46 0.00 2.57 0.00 0.00 54.79 55.26 1ipc n ASP 202 Cb 0.21 -0.04 -0.04 0.00 1.84 0.00 0.00 41.12 43.09 1ipc n ASP 202 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1ipc n THR 203 N -0.38 0.62 -1.76 -3.53 -1.04 -0.13 -4.83 114.28 103.24 1ipc n THR 203 Ca 0.12 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 1ipc n THR 203 Cb 0.13 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.57 1ipc n THR 203 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ipc s ALA 204 N 4.04 3.92 -0.67 2.41 0.00 -1.26 -5.12 121.76 125.08 1ipc s ALA 204 Ca 0.90 1.56 0.09 0.00 0.00 0.00 0.00 51.96 54.51 1ipc s ALA 204 Cb -0.59 -3.69 0.48 0.00 0.00 0.00 0.00 23.12 19.33 1ipc s ALA 204 CO 0.47 -0.90 1.25 0.25 0.00 0.00 0.00 175.76 176.82 1ipc n THR 205 N 3.96 1.55 -3.25 0.00 -2.24 -1.26 -5.25 114.28 107.80 1ipc n THR 205 Ca 0.16 -0.81 0.04 0.00 -2.27 0.00 0.00 64.05 61.16 1ipc n THR 205 Cb 0.36 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1ipc n THR 205 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ipc s THR 211 N -1.99 -0.45 0.86 4.28 2.01 -1.26 -5.34 115.64 113.74 1ipc s THR 211 Ca 0.32 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1ipc s THR 211 Cb 0.24 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.86 1ipc s THR 211 CO 0.10 0.00 1.10 -0.54 -0.69 0.00 0.00 174.62 174.59 1ipc s LYS 212 N 2.70 1.55 0.13 4.92 1.02 -1.26 -5.00 119.74 123.79 1ipc s LYS 212 Ca 0.01 1.09 -0.09 0.00 0.02 0.00 0.00 55.97 56.99 1ipc s LYS 212 Cb -0.09 -1.82 -0.06 0.00 -0.52 0.00 0.00 37.83 35.34 1ipc s LYS 212 CO -0.15 -2.11 0.43 -0.80 -0.92 0.00 0.00 175.35 171.80 1ipc s ASN 213 N -3.25 6.62 -0.11 2.83 0.01 -1.26 -4.67 114.94 115.11 1ipc s ASN 213 Ca 0.63 0.79 -0.01 0.00 -0.71 0.00 0.00 52.86 53.56 1ipc s ASN 213 Cb -0.19 -2.17 -0.25 0.00 0.41 0.00 0.00 41.25 39.05 1ipc s ASN 213 CO 0.57 0.09 0.41 0.54 -1.51 0.00 0.00 177.10 177.21 1ipc n ARG 214 N 0.51 0.72 -4.14 -0.60 5.12 0.56 -4.96 116.66 113.88 1ipc n ARG 214 Ca -0.05 0.26 -0.09 0.00 -1.93 0.00 0.00 57.85 56.04 1ipc n ARG 214 Cb 0.52 -1.72 -0.10 0.00 -1.16 0.00 0.00 32.46 30.00 1ipc n ARG 214 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ipc s PHE 215 N -2.57 0.75 -0.06 -1.55 0.40 -1.24 -5.01 117.98 108.71 1ipc s PHE 215 Ca -0.18 -1.04 -0.09 0.00 -0.60 0.00 0.00 56.93 55.02 1ipc s PHE 215 Cb 0.07 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 43.15 1ipc s PHE 215 CO 0.78 -0.31 0.23 0.14 0.70 0.00 0.00 175.22 176.75 1ipc s VAL 216 N -3.82 0.02 0.00 -0.44 -7.23 -1.26 -1.27 120.40 106.40 1ipc s VAL 216 Ca 0.12 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1ipc s VAL 216 Cb 0.07 -0.38 0.00 0.00 0.56 0.00 0.00 36.38 36.63 1ipc s VAL 216 CO -0.05 -0.09 0.00 1.33 -0.31 0.00 0.00 175.10 175.97