#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipi n TYR 2 N 0.00 0.00 -1.09 3.17 0.53 -1.26 -5.08 117.16 113.43 1ipi n TYR 2 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.58 1ipi n TYR 2 Cb 0.00 -0.64 0.16 0.00 -1.03 0.00 0.00 39.34 37.83 1ipi n TYR 2 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 1ipi s ARG 3 N -0.55 0.89 0.57 -0.72 3.00 -1.26 -4.90 118.95 115.98 1ipi s ARG 3 Ca 0.00 0.85 0.34 0.00 0.00 0.00 0.00 55.73 56.91 1ipi s ARG 3 Cb 0.00 -1.76 1.71 0.00 0.00 0.00 0.00 34.95 34.90 1ipi s ARG 3 CO 0.00 -2.50 2.14 1.57 0.00 0.00 0.00 175.30 176.51 1ipi h LYS 4 N -1.74 0.00 -0.64 3.54 2.10 -2.04 -1.71 116.57 116.09 1ipi h LYS 4 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1ipi h LYS 4 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1ipi h LYS 4 CO 0.53 0.06 0.00 0.41 -2.00 0.00 0.00 179.45 178.45 1ipi n GLY 5 N -0.64 2.09 0.34 0.07 0.00 -1.26 -4.59 105.19 101.19 1ipi n GLY 5 Ca -0.02 -0.60 0.21 0.00 0.00 0.00 0.00 46.02 45.62 1ipi n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipi h ALA 6 N 3.57 1.85 -0.28 4.61 0.00 -1.66 -1.50 119.26 125.87 1ipi h ALA 6 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ipi h ALA 6 Cb 1.20 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1ipi h ALA 6 CO 0.21 -0.47 0.07 0.37 0.00 0.00 0.00 179.25 179.43 1ipi h GLN 7 N 0.40 0.44 -0.42 0.00 4.15 -1.86 -2.23 115.11 115.59 1ipi h GLN 7 Ca 0.69 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 60.04 1ipi h GLN 7 Cb 1.49 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 29.09 1ipi h GLN 7 CO -0.57 0.53 0.22 0.00 -1.93 0.00 0.00 178.83 177.08 1ipi h ALA 8 N 0.90 0.52 -0.42 3.38 0.00 -1.65 -2.33 119.26 119.66 1ipi h ALA 8 Ca 0.09 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1ipi h ALA 8 Cb 0.28 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1ipi h ALA 8 CO 0.00 -0.13 0.03 0.93 0.00 0.00 0.00 179.25 180.08 1ipi h GLU 9 N 0.44 0.14 -0.49 0.00 5.08 -1.33 -1.77 114.58 116.66 1ipi h GLU 9 Ca 0.18 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1ipi h GLU 9 Cb 0.06 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1ipi h GLU 9 CO -0.11 0.09 0.19 0.00 -1.00 0.00 0.00 179.01 178.18 1ipi h ARG 10 N 0.14 0.36 -0.63 2.33 3.08 -0.98 -0.51 114.38 118.18 1ipi h ARG 10 Ca 0.21 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.29 1ipi h ARG 10 Cb 0.29 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1ipi h ARG 10 CO -0.32 0.24 0.35 1.49 -1.07 0.00 0.00 179.97 180.66 1ipi h GLU 11 N 0.38 0.64 -0.30 0.04 4.81 -0.87 -2.03 114.58 117.26 1ipi h GLU 11 Ca 0.23 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1ipi h GLU 11 Cb 0.22 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1ipi h GLU 11 CO -0.22 0.42 0.07 1.25 -0.73 0.00 0.00 179.01 179.80 1ipi h LEU 12 N 0.66 0.46 -1.41 1.64 5.85 -0.63 -2.10 115.31 119.78 1ipi h LEU 12 Ca 0.28 -0.24 0.18 0.00 0.84 0.00 0.00 57.88 58.95 1ipi h LEU 12 Cb 0.16 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1ipi h LEU 12 CO -0.17 0.57 0.59 0.40 -0.34 0.00 0.00 178.44 179.49 1ipi h ILE 13 N 0.32 0.72 -0.21 4.05 2.04 -0.63 0.29 117.51 124.10 1ipi h ILE 13 Ca 0.09 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.66 1ipi h ILE 13 Cb 0.30 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1ipi h ILE 13 CO 0.00 0.09 -0.32 0.11 0.00 0.00 0.00 178.15 178.03 1ipi h LYS 14 N 0.51 0.59 0.01 2.37 1.79 -0.94 -1.04 116.57 119.85 1ipi h LYS 14 Ca 0.47 -0.35 0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1ipi h LYS 14 Cb 1.02 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1ipi h LYS 14 CO -0.20 0.96 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.00 1ipi h LEU 15 N 0.27 -0.15 -0.22 2.94 4.07 -0.36 0.11 115.31 121.97 1ipi h LEU 15 Ca 0.02 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ipi h LEU 15 Cb 0.91 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1ipi h LEU 15 CO 0.07 -0.08 0.14 -0.07 -1.08 0.00 0.00 178.44 177.42 1ipi h LEU 16 N -0.10 0.25 -1.17 1.67 4.07 -1.06 -2.04 115.31 116.92 1ipi h LEU 16 Ca 0.02 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1ipi h LEU 16 Cb 0.12 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 1ipi h LEU 16 CO -0.05 0.18 0.56 -0.33 -1.08 0.00 0.00 178.44 177.72 1ipi h GLU 17 N 0.29 1.08 -0.01 1.13 5.08 -1.00 0.53 114.58 121.68 1ipi h GLU 17 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ipi h GLU 17 Cb -0.03 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 1ipi h GLU 17 CO -0.02 0.71 0.05 -0.22 -1.00 0.00 0.00 179.01 178.54 1ipi h LYS 18 N 1.11 0.00 -0.66 2.33 3.64 -0.05 -1.47 116.57 121.48 1ipi h LYS 18 Ca 0.33 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.46 1ipi h LYS 18 Cb -0.06 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.62 1ipi h LYS 18 CO -0.08 0.00 0.25 0.72 -2.27 0.00 0.00 179.45 178.07 1ipi n HIS 19 N -3.26 2.14 -0.97 1.91 8.25 0.15 -4.93 115.22 118.51 1ipi n HIS 19 Ca -0.03 -1.37 0.00 0.00 -0.26 0.00 0.00 57.72 56.07 1ipi n HIS 19 Cb 0.13 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.58 1ipi n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ipi n GLY 20 N -0.59 0.43 3.83 -1.41 0.00 -0.55 -5.05 105.19 101.84 1ipi n GLY 20 Ca 0.41 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 1ipi n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ipi s PHE 21 N -2.00 3.33 -0.13 1.61 0.08 -1.08 -4.70 117.98 115.10 1ipi s PHE 21 Ca 0.00 0.18 -0.09 0.00 0.12 0.00 0.00 56.93 57.14 1ipi s PHE 21 Cb 0.00 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1ipi s PHE 21 CO 0.00 0.56 0.17 0.00 -0.10 0.00 0.00 175.22 175.85 1ipi s ALA 22 N -1.36 3.80 -0.01 5.36 0.00 -0.49 -4.02 121.76 125.05 1ipi s ALA 22 Ca 0.29 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 1ipi s ALA 22 Cb -0.12 -2.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 1ipi s ALA 22 CO 0.21 0.47 0.04 0.08 0.00 0.00 0.00 175.76 176.56 1ipi s VAL 23 N -0.62 0.04 0.03 0.00 1.01 -1.26 -2.07 120.40 117.53 1ipi s VAL 23 Ca 0.14 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1ipi s VAL 23 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1ipi s VAL 23 CO 0.03 -0.18 -0.15 0.68 0.00 0.00 0.00 175.10 175.48 1ipi s VAL 24 N -0.53 1.22 -0.12 2.92 -7.23 -0.94 -5.02 120.40 110.69 1ipi s VAL 24 Ca -0.06 -0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 1ipi s VAL 24 Cb -0.04 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1ipi s VAL 24 CO -0.00 0.10 0.10 -0.60 -0.31 0.00 0.00 175.10 174.38 1ipi s ARG 25 N -1.01 3.43 0.27 4.82 3.52 -1.26 -2.22 118.95 126.50 1ipi s ARG 25 Ca 0.03 -0.23 -0.29 0.00 -0.13 0.00 0.00 55.73 55.11 1ipi s ARG 25 Cb -0.08 -3.10 -0.10 0.00 -1.56 0.00 0.00 34.95 30.11 1ipi s ARG 25 CO 0.01 0.68 1.20 -1.54 -0.81 0.00 0.00 175.30 174.84 1ipi s SER 26 N -0.75 7.04 0.05 -2.12 1.04 -0.64 -4.94 113.70 113.38 1ipi s SER 26 Ca 0.13 2.42 -0.04 0.00 0.48 0.00 0.00 55.95 58.93 1ipi s SER 26 Cb -0.12 -2.63 -0.29 0.00 0.10 0.00 0.00 66.02 63.09 1ipi s SER 26 CO 0.03 -0.34 1.06 0.00 0.98 0.00 0.00 173.24 174.97 1ipi h ALA 27 N 4.04 0.13 -1.89 5.32 0.00 -1.93 -3.46 119.26 121.47 1ipi h ALA 27 Ca -0.47 -0.94 -0.44 0.00 0.00 0.00 0.00 54.91 53.05 1ipi h ALA 27 Cb 1.22 0.09 0.04 0.00 0.00 0.00 0.00 17.79 19.14 1ipi h ALA 27 CO 0.69 1.01 -0.05 0.20 0.00 0.00 0.00 179.25 181.09 1ipi s GLY 28 N -4.73 1.76 -0.27 0.00 0.00 -1.26 -4.56 107.32 98.26 1ipi s GLY 28 Ca -0.05 -1.26 0.08 0.00 0.00 0.00 0.00 44.72 43.49 1ipi s GLY 28 CO 0.88 -1.00 1.22 1.44 0.00 0.00 0.00 173.10 175.63 1ipi n SER 29 N -2.28 3.93 -0.18 1.64 7.64 -1.26 -4.62 113.62 118.49 1ipi n SER 29 Ca 0.06 -3.80 0.03 0.00 1.01 0.00 0.00 58.87 56.17 1ipi n SER 29 Cb 0.59 -0.42 0.01 0.00 -1.01 0.00 0.00 64.21 63.38 1ipi n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ipi n LYS 30 N -0.85 1.60 0.00 1.43 5.02 -1.26 -4.97 118.16 119.13 1ipi n LYS 30 Ca 0.36 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1ipi n LYS 30 Cb 0.88 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1ipi n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ipi n LYS 31 N -0.12 0.00 -4.40 1.97 4.76 -1.26 -5.05 118.16 114.06 1ipi n LYS 31 Ca 0.03 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.26 1ipi n LYS 31 Cb 0.14 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.23 1ipi n LYS 31 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ipi s VAL 32 N 2.73 1.92 0.11 -0.18 -7.23 -1.26 -4.75 120.40 111.74 1ipi s VAL 32 Ca 0.00 -2.24 -0.13 0.00 -1.81 0.00 0.00 61.98 57.79 1ipi s VAL 32 Cb 0.00 -2.22 -0.08 0.00 0.56 0.00 0.00 36.38 34.63 1ipi s VAL 32 CO 0.00 -0.47 1.41 0.44 -0.31 0.00 0.00 175.10 176.18 1ipi h ASP 33 N 2.40 0.85 -4.89 4.85 3.32 -1.58 -3.39 116.42 117.99 1ipi h ASP 33 Ca -0.39 -0.50 -0.21 0.00 0.02 0.00 0.00 57.03 55.95 1ipi h ASP 33 Cb 1.23 -0.24 -0.19 0.00 0.22 0.00 0.00 39.33 40.35 1ipi h ASP 33 CO 0.63 1.18 -0.71 -0.76 -1.72 0.00 0.00 179.24 177.86 1ipi s LEU 34 N -8.86 2.33 -0.07 1.55 1.43 -0.60 -1.62 118.68 112.85 1ipi s LEU 34 Ca -0.12 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1ipi s LEU 34 Cb 0.09 -0.00 0.03 0.00 0.03 0.00 0.00 46.19 46.34 1ipi s LEU 34 CO 0.86 -0.34 -0.02 -0.69 0.23 0.00 0.00 176.35 176.38 1ipi s VAL 35 N -2.18 0.49 0.22 -1.59 1.01 -0.94 -0.35 120.40 117.05 1ipi s VAL 35 Ca -0.06 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1ipi s VAL 35 Cb -0.05 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1ipi s VAL 35 CO -0.03 0.26 -0.15 0.00 0.00 0.00 0.00 175.10 175.18 1ipi s ALA 36 N 1.61 2.15 -0.16 5.51 0.00 0.29 -2.22 121.76 128.94 1ipi s ALA 36 Ca -0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 49.96 1ipi s ALA 36 Cb -0.13 -0.10 0.10 0.00 0.00 0.00 0.00 23.12 22.99 1ipi s ALA 36 CO -0.04 0.09 0.89 0.20 0.00 0.00 0.00 175.76 176.90 1ipi s GLY 37 N -3.35 -0.36 -0.01 0.00 0.00 -0.88 -1.17 107.32 101.55 1ipi s GLY 37 Ca 0.24 1.93 0.02 0.00 0.00 0.00 0.00 44.72 46.90 1ipi s GLY 37 CO 0.08 1.20 0.78 1.16 0.00 0.00 0.00 173.10 176.33 1ipi n ASN 38 N 1.18 0.69 0.00 1.64 6.94 -1.07 -1.39 115.26 123.26 1ipi n ASN 38 Ca -0.13 -1.65 0.00 0.00 -0.02 0.00 0.00 54.58 52.78 1ipi n ASN 38 Cb 0.57 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1ipi n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ipi n GLY 39 N -0.26 3.29 0.98 4.83 0.00 -1.26 -4.78 105.19 107.99 1ipi n GLY 39 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1ipi n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ipi n LYS 40 N -1.20 0.02 -4.35 1.61 5.02 -1.26 -5.06 118.16 112.94 1ipi n LYS 40 Ca 0.00 0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1ipi n LYS 40 Cb 0.00 -0.53 -0.09 0.00 -0.02 0.00 0.00 35.03 34.39 1ipi n LYS 40 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ipi s LYS 41 N -2.02 2.77 -0.13 1.97 2.20 -1.26 -5.11 119.74 118.16 1ipi s LYS 41 Ca -0.01 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1ipi s LYS 41 Cb 0.00 -2.65 0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1ipi s LYS 41 CO 0.01 0.63 -0.13 0.71 -0.36 0.00 0.00 175.35 176.22 1ipi s TYR 42 N -1.03 1.96 -0.06 4.03 2.02 -1.26 -2.60 117.35 120.42 1ipi s TYR 42 Ca 0.18 -1.02 0.03 0.00 -0.37 0.00 0.00 57.07 55.88 1ipi s TYR 42 Cb -0.11 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1ipi s TYR 42 CO 0.08 -0.57 -0.12 -0.51 -1.57 0.00 0.00 175.55 172.87 1ipi s LEU 43 N 1.34 2.90 -0.24 -1.29 1.43 -0.31 -0.16 118.68 122.35 1ipi s LEU 43 Ca 0.01 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1ipi s LEU 43 Cb -0.14 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1ipi s LEU 43 CO -0.07 0.35 -0.11 0.00 0.23 0.00 0.00 176.35 176.75 1ipi s ILE 45 N 1.20 2.71 -0.16 0.00 1.01 0.53 -1.34 121.20 125.15 1ipi s ILE 45 Ca -0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 1ipi s ILE 45 Cb -0.19 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1ipi s ILE 45 CO -0.06 0.51 -0.10 -0.70 0.00 0.00 0.00 174.94 174.59 1ipi s GLU 46 N -0.92 3.41 -0.13 2.79 2.56 -0.66 -1.32 118.70 124.43 1ipi s GLU 46 Ca 0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 54.97 54.39 1ipi s GLU 46 Cb -0.10 -2.76 -0.03 0.00 2.00 0.00 0.00 34.13 33.23 1ipi s GLU 46 CO 0.02 0.10 0.02 0.08 -0.56 0.00 0.00 175.26 174.92 1ipi s VAL 47 N 0.67 4.48 0.09 3.70 1.01 -1.26 -0.98 120.40 128.12 1ipi s VAL 47 Ca -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 1ipi s VAL 47 Cb -0.15 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1ipi s VAL 47 CO 0.02 0.54 -0.01 -0.54 0.00 0.00 0.00 175.10 175.12 1ipi s LYS 48 N -0.27 0.79 -0.13 2.72 3.01 -0.25 -4.98 119.74 120.63 1ipi s LYS 48 Ca 0.07 -1.33 -0.09 0.00 -1.01 0.00 0.00 55.97 53.61 1ipi s LYS 48 Cb -0.12 0.11 0.04 0.00 -1.01 0.00 0.00 37.83 36.85 1ipi s LYS 48 CO 0.02 -0.14 0.32 0.14 0.51 0.00 0.00 175.35 176.20 1ipi s VAL 49 N -3.88 -0.02 0.07 3.17 -7.23 -1.26 -1.80 120.40 109.44 1ipi s VAL 49 Ca 0.14 0.07 -0.08 0.00 -1.81 0.00 0.00 61.98 60.31 1ipi s VAL 49 Cb 0.07 -0.47 -0.00 0.00 0.56 0.00 0.00 36.38 36.54 1ipi s VAL 49 CO -0.04 0.03 0.17 0.28 -0.31 0.00 0.00 175.10 175.22 1ipi s THR 50 N 0.85 0.14 -0.15 5.32 -1.32 -0.69 -4.94 115.64 114.86 1ipi s THR 50 Ca -0.06 -1.15 0.22 0.00 -1.21 0.00 0.00 61.69 59.50 1ipi s THR 50 Cb -0.06 -1.20 -0.25 0.00 -1.51 0.00 0.00 72.50 69.47 1ipi s THR 50 CO -0.06 -0.63 0.65 0.29 -2.21 0.00 0.00 174.62 172.65 1ipi n LYS 51 N 0.22 0.60 -1.18 7.08 5.02 -1.26 -0.00 118.16 128.64 1ipi n LYS 51 Ca -0.16 -0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 55.83 1ipi n LYS 51 Cb 0.61 -1.59 0.13 0.00 -0.02 0.00 0.00 35.03 34.17 1ipi n LYS 51 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ipi n LYS 52 N -2.30 -0.92 -0.37 1.97 5.02 -1.26 -4.69 118.16 115.62 1ipi n LYS 52 Ca -0.02 -1.30 0.08 0.00 -2.02 0.00 0.00 58.31 55.05 1ipi n LYS 52 Cb 0.55 -0.88 0.25 0.00 -0.02 0.00 0.00 35.03 34.93 1ipi n LYS 52 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ipi n ASP 53 N -3.59 3.75 -3.65 4.39 5.75 -1.26 -4.71 116.55 117.24 1ipi n ASP 53 Ca 0.11 -2.32 -0.14 0.00 -0.01 0.00 0.00 54.79 52.43 1ipi n ASP 53 Cb 0.37 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 39.97 1ipi n ASP 53 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1ipi s HIS 54 N -1.58 -0.32 -0.06 2.11 -3.43 -1.26 -4.36 115.29 106.38 1ipi s HIS 54 Ca 0.38 0.37 -0.07 0.00 -0.80 0.00 0.00 55.06 54.94 1ipi s HIS 54 Cb 0.24 0.25 0.02 0.00 -1.43 0.00 0.00 32.58 31.65 1ipi s HIS 54 CO 0.19 -0.57 0.19 -1.17 -2.00 0.00 0.00 174.74 171.38 1ipi s LEU 55 N -1.83 1.30 -0.16 5.38 2.96 -0.41 -4.98 118.68 120.95 1ipi s LEU 55 Ca -0.07 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1ipi s LEU 55 Cb -0.01 0.66 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 1ipi s LEU 55 CO -0.00 -0.11 0.03 -0.47 -1.32 0.00 0.00 176.35 174.48 1ipi s TYR 56 N -0.10 3.19 -0.04 5.38 5.04 -1.26 -1.11 117.35 128.46 1ipi s TYR 56 Ca -0.02 0.01 0.05 0.00 -2.44 0.00 0.00 57.07 54.67 1ipi s TYR 56 Cb -0.02 -2.00 -0.01 0.00 0.35 0.00 0.00 41.96 40.28 1ipi s TYR 56 CO 0.00 0.18 -0.18 0.08 -1.34 0.00 0.00 175.55 174.29 1ipi s VAL 57 N 0.12 1.53 0.50 3.14 1.01 0.59 -5.00 120.40 122.28 1ipi s VAL 57 Ca 0.03 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 1ipi s VAL 57 Cb -0.13 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 1ipi s VAL 57 CO 0.01 0.44 1.20 -0.83 0.00 0.00 0.00 175.10 175.92 1ipi s GLY 58 N -0.04 2.78 0.13 4.51 0.00 -1.26 -4.15 107.32 109.29 1ipi s GLY 58 Ca -0.03 1.01 -0.22 0.00 0.00 0.00 0.00 44.72 45.48 1ipi s GLY 58 CO 0.02 1.47 1.67 0.50 0.00 0.00 0.00 173.10 176.76 1ipi h LYS 59 N 1.76 -0.17 -0.89 2.90 1.57 -1.95 -2.61 116.57 117.17 1ipi h LYS 59 Ca -0.50 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.38 1ipi h LYS 59 Cb 1.26 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.50 1ipi h LYS 59 CO 0.59 -0.11 -0.58 -0.09 -0.57 0.00 0.00 179.45 178.68 1ipi h ARG 60 N -0.18 -0.07 -0.25 3.15 9.65 -1.98 0.84 114.38 125.53 1ipi h ARG 60 Ca 0.08 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1ipi h ARG 60 Cb 0.30 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1ipi h ARG 60 CO -0.21 -0.05 0.04 -0.44 2.80 0.00 0.00 179.97 182.11 1ipi h ASP 61 N -0.07 -0.01 -0.39 -3.80 3.32 -1.93 -1.18 116.42 112.37 1ipi h ASP 61 Ca 0.15 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1ipi h ASP 61 Cb 0.45 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1ipi h ASP 61 CO -0.88 0.03 -0.17 0.24 -1.72 0.00 0.00 179.24 176.74 1ipi h MET 62 N 0.13 0.87 -0.68 3.56 2.86 -0.85 -1.84 114.93 118.99 1ipi h MET 62 Ca 0.12 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1ipi h MET 62 Cb 0.12 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 1ipi h MET 62 CO -0.16 0.98 0.44 0.78 1.06 0.00 0.00 176.91 180.00 1ipi h GLY 63 N 0.95 0.96 0.97 8.32 0.00 0.96 -1.65 103.07 113.58 1ipi h GLY 63 Ca 0.11 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.11 1ipi h GLY 63 CO 0.05 0.33 0.30 -0.09 0.00 0.00 0.00 176.54 177.12 1ipi h ARG 64 N 0.89 0.58 -0.08 4.80 2.43 -0.92 -1.42 114.38 120.67 1ipi h ARG 64 Ca 0.25 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1ipi h ARG 64 Cb -0.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1ipi h ARG 64 CO -0.07 0.39 -0.06 1.25 -1.51 0.00 0.00 179.97 179.97 1ipi h LEU 65 N 0.60 -0.19 0.20 3.80 5.85 -0.90 -1.66 115.31 123.01 1ipi h LEU 65 Ca 0.17 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1ipi h LEU 65 Cb -0.05 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1ipi h LEU 65 CO -0.05 -0.08 -0.10 0.40 -0.34 0.00 0.00 178.44 178.27 1ipi h ILE 66 N -0.07 0.80 -0.72 4.05 2.04 -1.07 -0.05 117.51 122.49 1ipi h ILE 66 Ca 0.05 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.98 1ipi h ILE 66 Cb 0.15 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1ipi h ILE 66 CO -0.12 0.00 0.39 -0.08 0.00 0.00 0.00 178.15 178.34 1ipi h GLU 67 N -0.28 0.67 0.18 2.37 4.57 -1.21 -0.30 114.58 120.56 1ipi h GLU 67 Ca -0.03 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1ipi h GLU 67 Cb 0.22 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1ipi h GLU 67 CO 0.05 0.44 -0.09 0.35 -1.18 0.00 0.00 179.01 178.58 1ipi h PHE 68 N 0.69 -0.22 -0.99 0.92 3.04 -1.03 -2.60 116.94 116.74 1ipi h PHE 68 Ca 0.34 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.33 1ipi h PHE 68 Cb 0.29 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.81 1ipi h PHE 68 CO -0.08 0.04 0.65 0.77 -2.02 0.00 0.00 178.31 177.66 1ipi h SER 69 N -0.47 1.07 -0.02 0.41 0.02 -0.78 0.24 113.55 114.01 1ipi h SER 69 Ca -0.02 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1ipi h SER 69 Cb 0.36 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1ipi h SER 69 CO 0.04 0.72 0.01 -0.09 -1.14 0.00 0.00 176.83 176.37 1ipi h ARG 70 N 1.23 0.03 -0.36 3.45 9.65 -1.01 0.16 114.38 127.53 1ipi h ARG 70 Ca 0.40 -0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 59.13 1ipi h ARG 70 Cb 0.04 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1ipi h ARG 70 CO -0.14 0.05 -0.36 -0.09 2.80 0.00 0.00 179.97 182.23 1ipi h ARG 71 N 0.00 0.83 -0.42 0.20 2.43 -1.16 -3.27 114.38 112.99 1ipi h ARG 71 Ca 0.01 -0.42 -0.14 0.00 -0.81 0.00 0.00 59.98 58.62 1ipi h ARG 71 Cb 0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1ipi h ARG 71 CO -0.00 1.05 -0.29 0.35 -1.51 0.00 0.00 179.97 179.57 1ipi h PHE 72 N 0.69 1.11 -0.01 2.20 3.04 -0.82 -3.48 116.94 119.68 1ipi h PHE 72 Ca 0.06 -0.30 0.00 0.00 3.98 0.00 0.00 57.97 61.71 1ipi h PHE 72 Cb 0.92 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1ipi h PHE 72 CO 0.05 1.12 0.00 0.41 -2.02 0.00 0.00 178.31 177.87 1ipi n GLY 73 N 0.02 0.79 3.18 2.40 0.00 -0.04 -5.08 105.19 106.45 1ipi n GLY 73 Ca -0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1ipi n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ipi s GLY 74 N -1.58 1.04 -0.13 -0.02 0.00 -0.70 -4.71 107.32 101.22 1ipi s GLY 74 Ca 0.00 -1.50 -0.25 0.00 0.00 0.00 0.00 44.72 42.98 1ipi s GLY 74 CO 0.00 -1.42 0.79 -0.42 0.00 0.00 0.00 173.10 172.05 1ipi s ILE 75 N -3.91 4.94 -0.51 0.90 1.01 0.78 -4.42 121.20 119.99 1ipi s ILE 75 Ca 0.23 1.58 -0.28 0.00 0.00 0.00 0.00 60.65 62.18 1ipi s ILE 75 Cb 0.07 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1ipi s ILE 75 CO 0.02 0.11 1.66 -2.16 0.00 0.00 0.00 174.94 174.56 1ipi s PRO 76 N 1.66 3.11 -0.09 2.79 0.04 -1.26 -2.04 135.00 139.21 1ipi s PRO 76 Ca 0.38 0.79 0.04 0.00 0.04 0.00 0.00 61.00 62.25 1ipi s PRO 76 Cb -0.17 -4.22 -0.01 0.00 0.04 0.00 0.00 34.50 30.14 1ipi s PRO 76 CO 0.15 -2.14 -0.21 0.08 0.04 0.00 0.00 177.00 174.92 1ipi s VAL 77 N 7.19 2.41 -0.25 -0.36 1.01 -0.45 -1.94 120.40 128.00 1ipi s VAL 77 Ca 0.65 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1ipi s VAL 77 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1ipi s VAL 77 CO 0.26 0.56 0.10 -0.22 0.00 0.00 0.00 175.10 175.81 1ipi s LEU 78 N 0.07 3.64 -0.30 3.92 2.96 -0.01 -1.65 118.68 127.32 1ipi s LEU 78 Ca -0.09 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.61 1ipi s LEU 78 Cb -0.15 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1ipi s LEU 78 CO 0.06 -0.02 0.13 0.00 -1.32 0.00 0.00 176.35 175.20 1ipi s ALA 79 N 1.53 3.22 -0.14 5.97 0.00 -0.15 -1.29 121.76 130.91 1ipi s ALA 79 Ca 0.06 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1ipi s ALA 79 Cb -0.15 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 1ipi s ALA 79 CO 0.05 -0.84 -0.18 0.08 0.00 0.00 0.00 175.76 174.88 1ipi s VAL 80 N 1.59 2.49 -0.77 0.00 1.01 -0.28 -1.09 120.40 123.35 1ipi s VAL 80 Ca 0.04 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1ipi s VAL 80 Cb -0.17 -2.03 0.17 0.00 0.00 0.00 0.00 36.38 34.36 1ipi s VAL 80 CO 0.05 0.53 0.79 -0.75 0.00 0.00 0.00 175.10 175.72 1ipi s LYS 81 N 0.71 3.43 -0.42 2.72 2.20 -0.74 -0.92 119.74 126.72 1ipi s LYS 81 Ca -0.08 -2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 53.20 1ipi s LYS 81 Cb -0.16 -4.48 0.02 0.00 -1.51 0.00 0.00 37.83 31.70 1ipi s LYS 81 CO 0.01 -1.43 1.22 -0.06 -0.36 0.00 0.00 175.35 174.73 1ipi s PHE 82 N 1.25 2.74 -0.03 4.03 0.40 -1.16 -1.70 117.98 123.52 1ipi s PHE 82 Ca 0.18 0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 57.30 1ipi s PHE 82 Cb -0.14 -4.24 -0.00 0.00 0.51 0.00 0.00 43.02 39.15 1ipi s PHE 82 CO -0.05 -1.43 0.88 1.28 0.70 0.00 0.00 175.22 176.60 1ipi n LEU 83 N 7.92 0.20 0.00 -0.37 4.77 0.99 -1.81 117.00 128.70 1ipi n LEU 83 Ca 0.13 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1ipi n LEU 83 Cb 0.48 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1ipi n LEU 83 CO 0.69 -0.90 0.00 -3.20 -1.33 0.00 0.00 177.39 172.65 1ipi n ASN 84 N 4.24 0.00 -0.03 -1.43 2.85 -1.26 -4.93 115.26 114.70 1ipi n ASN 84 Ca 0.02 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.32 1ipi n ASN 84 Cb 0.01 0.08 -0.14 0.00 1.24 0.00 0.00 39.78 40.97 1ipi n ASN 84 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1ipi n VAL 85 N -1.61 1.68 0.00 3.44 3.14 -0.92 -5.11 118.33 118.95 1ipi n VAL 85 Ca 0.00 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 1ipi n VAL 85 Cb 0.00 -1.44 0.00 0.00 -1.06 0.00 0.00 33.84 31.34 1ipi n VAL 85 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ipi n GLY 86 N 1.92 0.71 3.72 7.55 0.00 -0.75 -5.01 105.19 113.32 1ipi n GLY 86 Ca -0.30 -2.31 -0.42 0.00 0.00 0.00 0.00 46.02 42.99 1ipi n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ipi s TRP 87 N -0.74 3.07 -0.05 1.61 0.52 -1.26 -2.99 118.94 119.10 1ipi s TRP 87 Ca 0.00 0.67 0.04 0.00 0.02 0.00 0.00 56.10 56.82 1ipi s TRP 87 Cb 0.00 -3.91 0.00 0.00 -1.15 0.00 0.00 33.47 28.41 1ipi s TRP 87 CO 0.00 -3.32 -0.16 1.03 0.02 0.00 0.00 176.95 174.52 1ipi s ARG 88 N 1.05 1.84 -0.19 4.98 1.81 -0.09 -4.59 118.95 123.75 1ipi s ARG 88 Ca 0.69 -0.57 -0.03 0.00 -1.72 0.00 0.00 55.73 54.10 1ipi s ARG 88 Cb -0.43 -1.55 -0.01 0.00 -0.45 0.00 0.00 34.95 32.51 1ipi s ARG 88 CO 0.32 0.18 -0.07 -0.06 -0.68 0.00 0.00 175.30 174.99 1ipi s PHE 89 N 0.23 2.93 -0.17 -0.53 0.08 -0.12 -1.13 117.98 119.27 1ipi s PHE 89 Ca -0.08 -0.81 0.01 0.00 0.12 0.00 0.00 56.93 56.17 1ipi s PHE 89 Cb -0.13 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1ipi s PHE 89 CO 0.03 -0.41 -0.18 0.42 -0.10 0.00 0.00 175.22 174.98 1ipi s ILE 90 N 1.07 2.28 -0.41 0.64 1.01 -0.41 -1.54 121.20 123.84 1ipi s ILE 90 Ca 0.01 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 1ipi s ILE 90 Cb -0.15 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1ipi s ILE 90 CO -0.01 0.53 0.87 -0.70 0.00 0.00 0.00 174.94 175.63 1ipi s GLU 91 N 1.11 3.65 0.41 2.79 2.12 -1.26 -0.83 118.70 126.68 1ipi s GLU 91 Ca 0.00 0.26 -0.15 0.00 0.36 0.00 0.00 54.97 55.45 1ipi s GLU 91 Cb -0.14 -3.87 -0.08 0.00 0.26 0.00 0.00 34.13 30.30 1ipi s GLU 91 CO -0.07 -1.05 0.83 0.14 -0.54 0.00 0.00 175.26 174.57 1ipi s VAL 92 N 3.45 4.64 0.11 3.70 -7.23 -0.82 -5.02 120.40 119.24 1ipi s VAL 92 Ca 0.35 0.97 0.09 0.00 -1.81 0.00 0.00 61.98 61.59 1ipi s VAL 92 Cb -0.12 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 1ipi s VAL 92 CO 0.22 -0.42 -0.23 -0.55 -0.31 0.00 0.00 175.10 173.80 1ipi s SER 93 N -2.72 2.84 0.00 4.85 0.15 -1.26 -4.80 113.70 112.76 1ipi s SER 93 Ca 0.55 -0.71 0.19 0.00 0.70 0.00 0.00 55.95 56.68 1ipi s SER 93 Cb -0.10 -0.17 0.95 0.00 -1.71 0.00 0.00 66.02 64.99 1ipi s SER 93 CO 0.24 0.11 1.59 -0.81 1.20 0.00 0.00 173.24 175.57 1ipi n PRO 94 N 1.02 0.24 0.18 5.44 -0.04 -1.26 -2.21 135.00 138.37 1ipi n PRO 94 Ca -0.19 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1ipi n PRO 94 Cb 0.53 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.84 1ipi n PRO 94 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ipi h LYS 95 N 0.00 0.00 -6.62 0.54 1.57 -2.04 -3.45 116.57 106.58 1ipi h LYS 95 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1ipi h LYS 95 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.53 1ipi h LYS 95 CO 0.00 0.00 0.63 0.42 -0.57 0.00 0.00 179.45 179.93 1ipi s ILE 96 N -3.24 3.45 -0.20 1.86 1.01 -0.94 -4.97 121.20 118.17 1ipi s ILE 96 Ca 0.07 1.14 -0.20 0.00 0.00 0.00 0.00 60.65 61.66 1ipi s ILE 96 Cb 0.08 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.66 1ipi s ILE 96 CO 0.60 0.14 0.17 -0.08 0.00 0.00 0.00 174.94 175.78 1ipi h GLU 97 N 5.85 0.00 -5.15 2.79 4.81 -1.90 -3.46 114.58 117.52 1ipi h GLU 97 Ca -0.44 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.12 1ipi h GLU 97 Cb 1.21 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.25 1ipi h GLU 97 CO 0.79 0.84 -0.86 0.15 -0.73 0.00 0.00 179.01 179.20 1ipi s LYS 98 N -2.33 3.02 -1.20 1.92 1.02 -1.26 -4.96 119.74 115.94 1ipi s LYS 98 Ca -0.26 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 54.75 1ipi s LYS 98 Cb 0.05 -2.49 0.17 0.00 -0.52 0.00 0.00 37.83 35.03 1ipi s LYS 98 CO 0.53 -0.08 1.44 -0.06 -0.92 0.00 0.00 175.35 176.26 1ipi s PHE 99 N 0.98 3.46 -0.05 3.18 0.08 -1.26 -4.95 117.98 119.43 1ipi s PHE 99 Ca -0.03 -2.10 0.04 0.00 0.12 0.00 0.00 56.93 54.96 1ipi s PHE 99 Cb -0.15 -4.33 0.00 0.00 -0.57 0.00 0.00 43.02 37.97 1ipi s PHE 99 CO -0.06 -1.42 -0.16 0.54 -0.10 0.00 0.00 175.22 174.03 1ipi s VAL 100 N 1.71 1.38 0.16 -0.44 0.11 -1.26 -0.30 120.40 121.76 1ipi s VAL 100 Ca 0.43 -0.66 -0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1ipi s VAL 100 Cb -0.03 -1.20 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 1ipi s VAL 100 CO 0.00 0.40 0.07 -0.36 -3.33 0.00 0.00 175.10 171.88 1ipi s PHE 101 N 0.25 1.03 0.29 1.54 0.40 -0.27 -4.97 117.98 116.26 1ipi s PHE 101 Ca -0.08 -1.24 0.03 0.00 -0.60 0.00 0.00 56.93 55.04 1ipi s PHE 101 Cb -0.13 -0.56 -0.06 0.00 0.51 0.00 0.00 43.02 42.78 1ipi s PHE 101 CO 0.03 -0.49 0.06 0.95 0.70 0.00 0.00 175.22 176.47 1ipi s THR 102 N -4.00 0.97 0.26 0.64 -4.23 -1.26 -1.28 115.64 106.74 1ipi s THR 102 Ca 0.29 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1ipi s THR 102 Cb 0.07 -2.66 0.24 0.00 1.34 0.00 0.00 72.50 71.49 1ipi s THR 102 CO 0.05 -0.07 1.84 1.55 -0.54 0.00 0.00 174.62 177.45 1ipi h PRO 103 N 2.27 0.92 0.00 3.99 0.13 -1.96 -1.38 132.00 135.97 1ipi h PRO 103 Ca -0.39 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ipi h PRO 103 Cb 1.24 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ipi h PRO 103 CO 0.66 0.61 0.10 0.43 -0.23 0.00 0.00 178.00 179.57 1ipi n SER 104 N -4.64 0.40 0.21 1.44 7.64 -1.26 0.27 113.62 117.67 1ipi n SER 104 Ca 0.15 0.64 0.10 0.00 1.01 0.00 0.00 58.87 60.77 1ipi n SER 104 Cb 0.25 -0.66 0.33 0.00 -1.01 0.00 0.00 64.21 63.12 1ipi n SER 104 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ipi h SER 105 N 0.00 0.00 -3.04 6.43 0.02 -1.65 -3.46 113.55 111.84 1ipi h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ipi h SER 105 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ipi h SER 105 CO 0.00 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1ipi n GLY 106 N 0.60 4.09 3.40 -3.77 0.00 0.14 -4.78 105.19 104.86 1ipi n GLY 106 Ca 0.02 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.63 1ipi n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ipi s VAL 107 N -0.86 0.62 0.72 1.61 -7.23 -0.59 -4.83 120.40 109.84 1ipi s VAL 107 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 1ipi s VAL 107 Cb 0.00 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.40 1ipi s VAL 107 CO 0.00 0.00 1.10 -0.94 -0.31 0.00 0.00 175.10 174.95 1ipi s SER 108 N -3.44 5.34 0.17 4.85 1.04 -1.26 -0.95 113.70 119.46 1ipi s SER 108 Ca 0.34 1.12 -0.15 0.00 0.48 0.00 0.00 55.95 57.74 1ipi s SER 108 Cb 0.06 -1.89 0.13 0.00 0.10 0.00 0.00 66.02 64.41 1ipi s SER 108 CO 0.16 -1.41 1.73 0.25 0.98 0.00 0.00 173.24 174.95 1ipi h LEU 109 N -0.70 0.05 0.73 2.42 6.46 -1.98 -0.41 115.31 121.88 1ipi h LEU 109 Ca -0.45 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.34 1ipi h LEU 109 Cb 1.26 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 41.27 1ipi h LEU 109 CO 0.64 0.06 -0.43 -0.08 -0.62 0.00 0.00 178.44 178.01 1ipi h GLU 110 N 0.25 -1.04 -1.03 1.25 4.57 -1.99 -2.34 114.58 114.25 1ipi h GLU 110 Ca 0.21 0.07 0.28 0.00 -1.18 0.00 0.00 59.36 58.73 1ipi h GLU 110 Cb 0.24 0.24 -0.12 0.00 -0.16 0.00 0.00 28.75 28.94 1ipi h GLU 110 CO -0.25 -0.70 0.62 0.28 -1.18 0.00 0.00 179.01 177.78 1ipi h VAL 111 N -1.08 0.46 0.00 0.32 2.07 -1.85 0.84 116.25 117.00 1ipi h VAL 111 Ca -0.09 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ipi h VAL 111 Cb 0.87 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ipi h VAL 111 CO 0.11 0.08 0.00 -0.11 0.02 0.00 0.00 177.57 177.67 1ipi n LEU 112 N -4.86 0.00 -0.32 2.57 7.94 -0.19 -3.84 117.00 118.30 1ipi n LEU 112 Ca 0.28 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 55.10 1ipi n LEU 112 Cb 0.86 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.73 1ipi n LEU 112 CO 0.17 0.00 0.40 0.18 -1.11 0.00 0.00 177.39 177.03 1ipi n LEU 113 N -0.67 -0.81 0.00 -1.96 4.77 0.29 -5.08 117.00 113.54 1ipi n LEU 113 Ca 0.01 1.43 0.00 0.00 -0.03 0.00 0.00 56.01 57.42 1ipi n LEU 113 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1ipi n LEU 113 CO 0.01 -1.14 0.00 0.61 -1.33 0.00 0.00 177.39 175.53