#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ic0 s PHE 4 N 0.00 0.75 -0.23 1.20 0.08 -0.11 -5.00 117.98 114.67 1ic0 s PHE 4 Ca 0.00 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 56.92 1ic0 s PHE 4 Cb 0.00 -0.51 0.05 0.00 -0.57 0.00 0.00 43.02 41.99 1ic0 s PHE 4 CO 0.00 -0.04 -0.12 -0.80 -0.10 0.00 0.00 175.22 174.16 1ic0 s ASN 5 N -0.03 3.95 -0.11 1.36 0.01 -1.26 0.72 114.94 119.57 1ic0 s ASN 5 Ca 0.01 -1.14 0.01 0.00 -0.71 0.00 0.00 52.86 51.03 1ic0 s ASN 5 Cb -0.05 -1.45 -0.01 0.00 0.41 0.00 0.00 41.25 40.15 1ic0 s ASN 5 CO -0.00 -0.15 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.59 1ic0 s VAL 6 N 1.21 2.79 -0.10 1.60 1.01 -0.21 -4.35 120.40 122.36 1ic0 s VAL 6 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1ic0 s VAL 6 Cb -0.18 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1ic0 s VAL 6 CO -0.07 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1ic0 s VAL 7 N 0.25 3.38 -0.32 2.92 1.01 0.29 -0.98 120.40 126.95 1ic0 s VAL 7 Ca -0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1ic0 s VAL 7 Cb -0.16 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1ic0 s VAL 7 CO 0.06 0.55 0.13 -0.63 0.00 0.00 0.00 175.10 175.21 1ic0 s ILE 8 N -0.15 4.28 0.12 2.22 1.01 -0.29 -0.42 121.20 127.97 1ic0 s ILE 8 Ca 0.01 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.08 1ic0 s ILE 8 Cb -0.13 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1ic0 s ILE 8 CO 0.03 -0.01 -0.22 0.20 0.00 0.00 0.00 174.94 174.93 1ic0 s ASN 9 N 1.54 3.60 -0.06 3.58 0.01 -0.75 -0.50 114.94 122.35 1ic0 s ASN 9 Ca 0.03 -0.64 -0.02 0.00 -0.71 0.00 0.00 52.86 51.52 1ic0 s ASN 9 Cb -0.18 -0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.06 1ic0 s ASN 9 CO 0.05 0.19 0.03 0.00 -1.51 0.00 0.00 177.10 175.85 1ic0 s ALA 10 N -1.08 3.40 -0.08 0.60 0.00 -1.26 -0.41 121.76 122.93 1ic0 s ALA 10 Ca 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1ic0 s ALA 10 Cb -0.10 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.51 1ic0 s ALA 10 CO 0.08 0.62 -0.08 0.71 0.00 0.00 0.00 175.76 177.08 1ic0 s TYR 11 N -0.99 1.30 -0.29 0.00 1.51 0.23 -4.98 117.35 114.12 1ic0 s TYR 11 Ca 0.16 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1ic0 s TYR 11 Cb -0.12 -1.05 0.06 0.00 -0.11 0.00 0.00 41.96 40.75 1ic0 s TYR 11 CO 0.06 -0.36 -0.04 0.34 -1.11 0.00 0.00 175.55 174.45 1ic0 s ASP 12 N 1.18 4.71 -0.18 2.29 2.15 -1.26 -0.74 116.67 124.83 1ic0 s ASP 12 Ca -0.05 -1.40 0.01 0.00 0.43 0.00 0.00 52.55 51.54 1ic0 s ASP 12 Cb -0.14 -1.64 0.02 0.00 -0.30 0.00 0.00 42.92 40.85 1ic0 s ASP 12 CO -0.02 -0.25 -0.19 -0.89 -0.17 0.00 0.00 175.17 173.66 1ic0 s THR 13 N 1.17 2.21 -0.17 1.71 2.01 0.96 -5.02 115.64 118.51 1ic0 s THR 13 Ca -0.06 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1ic0 s THR 13 Cb -0.20 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.44 1ic0 s THR 13 CO -0.03 0.53 0.03 -0.89 -0.69 0.00 0.00 174.62 173.57 1ic0 s THR 14 N 1.22 0.46 -0.39 -0.82 2.01 -1.26 -0.50 115.64 116.37 1ic0 s THR 14 Ca 0.03 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1ic0 s THR 14 Cb -0.14 -0.93 0.12 0.00 0.01 0.00 0.00 72.50 71.57 1ic0 s THR 14 CO -0.10 -0.14 0.18 -0.63 -0.69 0.00 0.00 174.62 173.24 1ic0 s ILE 15 N 1.89 1.18 0.31 1.82 -1.09 0.33 -4.99 121.20 120.65 1ic0 s ILE 15 Ca 0.00 -2.11 0.02 0.00 -2.23 0.00 0.00 60.65 56.33 1ic0 s ILE 15 Cb -0.16 -1.85 0.29 0.00 -1.58 0.00 0.00 42.46 39.15 1ic0 s ILE 15 CO -0.08 -0.82 1.91 -0.65 -1.23 0.00 0.00 174.94 174.07 1ic0 h PRO 16 N 7.23 0.93 -3.02 2.79 0.11 -1.93 -0.81 132.00 137.30 1ic0 h PRO 16 Ca -0.05 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 65.79 1ic0 h PRO 16 Cb 0.96 -0.21 -0.32 0.00 0.11 0.00 0.00 31.00 31.55 1ic0 h PRO 16 CO 0.47 0.61 -0.53 -2.00 -0.21 0.00 0.00 178.00 176.34 1ic0 s GLU 17 N -5.85 0.15 -0.10 1.05 -6.30 -1.26 -0.93 118.70 105.46 1ic0 s GLU 17 Ca -0.11 0.57 0.04 0.00 -2.50 0.00 0.00 54.97 52.97 1ic0 s GLU 17 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 34.13 34.21 1ic0 s GLU 17 CO 0.80 -0.22 -0.22 -1.17 0.02 0.00 0.00 175.26 174.47 1ic0 s LEU 18 N 1.70 2.01 -0.34 2.70 2.96 0.32 -4.99 118.68 123.03 1ic0 s LEU 18 Ca -0.05 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1ic0 s LEU 18 Cb -0.11 -1.31 0.11 0.00 0.50 0.00 0.00 46.19 45.37 1ic0 s LEU 18 CO -0.08 0.14 0.10 0.21 -1.32 0.00 0.00 176.35 175.40 1ic0 s ASN 19 N 0.41 4.24 -0.13 3.68 3.84 -1.26 -0.95 114.94 124.77 1ic0 s ASN 19 Ca -0.18 -1.98 0.01 0.00 0.21 0.00 0.00 52.86 50.93 1ic0 s ASN 19 Cb -0.18 -1.17 0.02 0.00 -0.55 0.00 0.00 41.25 39.38 1ic0 s ASN 19 CO 0.08 -0.38 -0.16 0.54 -2.79 0.00 0.00 177.10 174.38 1ic0 s VAL 20 N 1.16 1.66 -1.51 -5.21 0.11 -0.28 -4.79 120.40 111.55 1ic0 s VAL 20 Ca 0.11 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1ic0 s VAL 20 Cb -0.19 -1.52 0.02 0.00 -1.53 0.00 0.00 36.38 33.16 1ic0 s VAL 20 CO -0.16 0.47 0.29 -0.62 -3.33 0.00 0.00 175.10 171.75 1ic0 n GLU 21 N 4.40 -2.24 0.00 1.54 1.02 -1.26 -0.20 120.64 123.90 1ic0 n GLU 21 Ca -0.19 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1ic0 n GLU 21 Cb 0.51 -4.20 0.00 0.00 -0.02 0.00 0.00 31.44 27.72 1ic0 n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ic0 n GLY 22 N -2.14 2.92 3.72 0.62 0.00 -1.26 -5.01 105.19 104.04 1ic0 n GLY 22 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1ic0 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ic0 s VAL 23 N -2.68 5.25 -0.19 1.61 1.01 0.72 -5.07 120.40 121.05 1ic0 s VAL 23 Ca 0.00 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 1ic0 s VAL 23 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1ic0 s VAL 23 CO 0.00 0.36 0.05 -0.89 0.00 0.00 0.00 175.10 174.62 1ic0 s THR 24 N 0.58 4.67 -0.05 3.92 2.01 -1.26 -1.12 115.64 124.39 1ic0 s THR 24 Ca 0.21 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1ic0 s THR 24 Cb -0.14 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.27 1ic0 s THR 24 CO 0.07 0.45 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.65 1ic0 s VAL 25 N 0.49 0.97 0.18 3.82 1.01 -0.12 -4.99 120.40 121.75 1ic0 s VAL 25 Ca 0.03 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1ic0 s VAL 25 Cb -0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1ic0 s VAL 25 CO 0.01 0.31 0.04 -0.54 0.00 0.00 0.00 175.10 174.92 1ic0 s LYS 26 N 0.50 2.56 -1.28 2.72 -0.14 -1.26 -0.52 119.74 122.31 1ic0 s LYS 26 Ca -0.10 -1.05 -0.23 0.00 -1.36 0.00 0.00 55.97 53.23 1ic0 s LYS 26 Cb -0.13 -2.44 0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1ic0 s LYS 26 CO 0.02 0.46 0.55 0.09 -0.76 0.00 0.00 175.35 175.71 1ic0 n ASN 27 N -0.23 -3.01 -4.70 2.83 3.02 -0.11 -4.94 115.26 108.12 1ic0 n ASN 27 Ca -0.09 -1.23 -0.40 0.00 -0.03 0.00 0.00 54.58 52.83 1ic0 n ASN 27 Cb 0.55 -2.04 -0.04 0.00 -0.61 0.00 0.00 39.78 37.63 1ic0 n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ic0 s ILE 28 N -3.72 4.98 -0.23 2.41 1.01 -0.31 -4.97 121.20 120.38 1ic0 s ILE 28 Ca 0.36 1.52 -0.05 0.00 0.00 0.00 0.00 60.65 62.48 1ic0 s ILE 28 Cb -0.18 -4.08 0.12 0.00 0.01 0.00 0.00 42.46 38.32 1ic0 s ILE 28 CO 0.95 0.17 0.42 -0.60 0.00 0.00 0.00 174.94 175.88 1ic0 s ARG 29 N 1.31 0.35 -0.10 2.79 3.00 -1.26 -0.51 118.95 124.53 1ic0 s ARG 29 Ca 0.38 0.83 -0.09 0.00 -1.00 0.00 0.00 55.73 55.86 1ic0 s ARG 29 Cb -0.17 0.02 0.03 0.00 0.00 0.00 0.00 34.95 34.82 1ic0 s ARG 29 CO 0.17 -0.44 0.26 0.00 0.00 0.00 0.00 175.30 175.29 1ic0 s ALA 30 N 2.61 -0.64 -0.06 6.12 0.00 0.34 -5.02 121.76 125.11 1ic0 s ALA 30 Ca 0.06 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1ic0 s ALA 30 Cb -0.14 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1ic0 s ALA 30 CO -0.15 -0.13 -0.11 0.12 0.00 0.00 0.00 175.76 175.49 1ic0 s PHE 31 N 0.22 1.35 0.09 0.00 5.36 -1.26 -0.03 117.98 123.72 1ic0 s PHE 31 Ca -0.01 -0.48 -0.15 0.00 -0.96 0.00 0.00 56.93 55.34 1ic0 s PHE 31 Cb -0.02 -1.00 0.03 0.00 -0.34 0.00 0.00 43.02 41.68 1ic0 s PHE 31 CO -0.00 -0.25 0.36 -0.80 -1.46 0.00 0.00 175.22 173.06 1ic0 s ASN 32 N 0.64 -0.17 -0.10 6.13 0.01 0.08 -4.80 114.94 116.73 1ic0 s ASN 32 Ca -0.13 -0.29 0.03 0.00 -0.71 0.00 0.00 52.86 51.75 1ic0 s ASN 32 Cb -0.15 0.43 0.01 0.00 0.41 0.00 0.00 41.25 41.94 1ic0 s ASN 32 CO 0.03 -0.77 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.96 1ic0 s VAL 33 N -3.41 1.84 0.02 1.60 1.01 -0.58 0.75 120.40 121.62 1ic0 s VAL 33 Ca 0.01 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1ic0 s VAL 33 Cb 0.02 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1ic0 s VAL 33 CO -0.09 0.51 -0.20 -0.76 0.00 0.00 0.00 175.10 174.56 1ic0 s LEU 34 N 0.54 2.11 -0.14 3.92 1.43 0.46 -2.43 118.68 124.57 1ic0 s LEU 34 Ca -0.15 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1ic0 s LEU 34 Cb -0.17 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1ic0 s LEU 34 CO 0.05 0.19 0.55 0.20 0.23 0.00 0.00 176.35 177.58 1ic0 s ASN 35 N -0.85 6.72 -0.21 2.29 -0.87 -1.26 -1.82 114.94 118.94 1ic0 s ASN 35 Ca 0.07 0.86 -0.01 0.00 -1.57 0.00 0.00 52.86 52.22 1ic0 s ASN 35 Cb -0.08 -2.32 0.06 0.00 -0.02 0.00 0.00 41.25 38.88 1ic0 s ASN 35 CO 0.01 -0.11 -0.03 -1.61 -2.57 0.00 0.00 177.10 172.79 1ic0 s GLU 36 N 1.09 1.29 0.72 -0.60 2.02 0.44 -2.61 118.70 121.04 1ic0 s GLU 36 Ca 0.28 -0.71 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1ic0 s GLU 36 Cb -0.16 -2.31 0.02 0.00 0.10 0.00 0.00 34.13 31.78 1ic0 s GLU 36 CO 0.12 -0.57 1.08 -2.14 0.02 0.00 0.00 175.26 173.76 1ic0 s PRO 37 N 1.59 2.76 0.04 0.39 0.02 -1.26 -0.55 135.00 137.99 1ic0 s PRO 37 Ca -0.03 0.67 0.15 0.00 0.02 0.00 0.00 61.00 61.82 1ic0 s PRO 37 Cb -0.17 -1.99 -0.16 0.00 0.02 0.00 0.00 34.50 32.20 1ic0 s PRO 37 CO -0.07 -1.15 0.82 0.93 -0.33 0.00 0.00 177.00 177.20 1ic0 h GLU 38 N -0.74 0.00 -5.63 5.54 5.08 -1.90 -3.46 114.58 113.46 1ic0 h GLU 38 Ca -0.45 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.24 1ic0 h GLU 38 Cb 1.24 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.25 1ic0 h GLU 38 CO 0.61 0.38 -0.74 0.99 -1.00 0.00 0.00 179.01 179.24 1ic0 s THR 39 N -2.83 3.27 -0.11 1.13 2.01 -1.26 -1.55 115.64 116.31 1ic0 s THR 39 Ca -0.03 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1ic0 s THR 39 Cb 0.08 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1ic0 s THR 39 CO 0.81 0.54 -0.13 -0.76 -0.69 0.00 0.00 174.62 174.39 1ic0 s LEU 40 N -0.02 1.60 -0.13 4.42 1.43 -0.10 -4.97 118.68 120.91 1ic0 s LEU 40 Ca -0.02 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1ic0 s LEU 40 Cb -0.14 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 1ic0 s LEU 40 CO 0.04 -0.01 -0.14 -0.69 0.23 0.00 0.00 176.35 175.77 1ic0 s VAL 41 N 1.12 2.94 0.23 -1.59 1.01 -1.26 -0.60 120.40 122.25 1ic0 s VAL 41 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1ic0 s VAL 41 Cb -0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1ic0 s VAL 41 CO -0.03 0.53 0.12 0.68 0.00 0.00 0.00 175.10 176.39 1ic0 s VAL 42 N 0.37 0.26 0.08 2.92 -7.23 0.37 -4.97 120.40 112.20 1ic0 s VAL 42 Ca -0.11 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 1ic0 s VAL 42 Cb -0.16 -2.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 1ic0 s VAL 42 CO 0.06 0.00 0.42 -0.54 -0.31 0.00 0.00 175.10 174.73 1ic0 s LYS 43 N -4.09 3.80 0.23 4.82 -0.14 -1.26 -1.43 119.74 121.66 1ic0 s LYS 43 Ca 0.38 0.23 -0.31 0.00 -1.36 0.00 0.00 55.97 54.91 1ic0 s LYS 43 Cb 0.07 -3.01 -0.14 0.00 -1.68 0.00 0.00 37.83 33.08 1ic0 s LYS 43 CO 0.13 0.56 1.37 1.17 -0.76 0.00 0.00 175.35 177.82 1ic0 n LYS 44 N 0.97 1.90 -1.01 1.68 4.81 -0.46 -1.58 118.16 124.48 1ic0 n LYS 44 Ca -0.08 0.68 -0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1ic0 n LYS 44 Cb 0.52 -2.31 -0.00 0.00 0.02 0.00 0.00 35.03 33.26 1ic0 n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ic0 n GLY 45 N 2.13 0.46 3.81 3.14 0.00 0.42 -5.00 105.19 110.15 1ic0 n GLY 45 Ca 0.12 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1ic0 n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ic0 s ASP 46 N -2.42 7.06 -0.67 1.61 1.11 -0.62 -4.78 116.67 117.96 1ic0 s ASP 46 Ca 0.00 1.52 -0.21 0.00 0.18 0.00 0.00 52.55 54.03 1ic0 s ASP 46 Cb 0.00 -2.46 0.08 0.00 1.07 0.00 0.00 42.92 41.61 1ic0 s ASP 46 CO 0.00 -0.08 0.92 0.00 1.18 0.00 0.00 175.17 177.19 1ic0 s ALA 47 N -1.70 3.21 0.12 5.23 0.00 -1.26 -1.86 121.76 125.49 1ic0 s ALA 47 Ca 0.49 -2.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.28 1ic0 s ALA 47 Cb -0.15 -3.80 -0.07 0.00 0.00 0.00 0.00 23.12 19.11 1ic0 s ALA 47 CO 0.20 -2.69 0.53 0.08 0.00 0.00 0.00 175.76 173.88 1ic0 s VAL 48 N 3.60 4.87 -0.07 0.00 1.01 -0.62 -5.00 120.40 124.19 1ic0 s VAL 48 Ca 0.20 0.87 -0.01 0.00 0.00 0.00 0.00 61.98 63.05 1ic0 s VAL 48 Cb -0.18 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1ic0 s VAL 48 CO 0.07 0.33 -0.03 -0.54 0.00 0.00 0.00 175.10 174.94 1ic0 s LYS 49 N -1.73 0.86 -0.18 2.72 -0.14 -1.26 -2.59 119.74 117.41 1ic0 s LYS 49 Ca 0.35 -0.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.94 1ic0 s LYS 49 Cb -0.16 -1.07 0.03 0.00 -1.68 0.00 0.00 37.83 34.95 1ic0 s LYS 49 CO 0.19 -0.24 -0.14 0.08 -0.76 0.00 0.00 175.35 174.48 1ic0 s VAL 50 N 1.65 1.77 -0.49 3.17 1.01 0.81 -0.93 120.40 127.39 1ic0 s VAL 50 Ca 0.01 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 1ic0 s VAL 50 Cb -0.13 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.59 1ic0 s VAL 50 CO -0.04 0.35 0.58 -0.69 0.00 0.00 0.00 175.10 175.29 1ic0 s VAL 51 N 1.37 4.94 -0.38 2.92 1.01 0.22 0.12 120.40 130.61 1ic0 s VAL 51 Ca 0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1ic0 s VAL 51 Cb -0.15 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1ic0 s VAL 51 CO -0.10 -0.72 0.25 -0.69 0.00 0.00 0.00 175.10 173.84 1ic0 s VAL 52 N 2.47 5.01 -0.28 2.92 1.01 0.16 -1.04 120.40 130.64 1ic0 s VAL 52 Ca 0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 1ic0 s VAL 52 Cb -0.19 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1ic0 s VAL 52 CO 0.12 -0.21 0.34 -0.70 0.00 0.00 0.00 175.10 174.65 1ic0 s GLU 53 N 1.64 3.94 -0.58 2.72 2.12 -0.15 -1.98 118.70 126.42 1ic0 s GLU 53 Ca 0.04 -0.09 -0.19 0.00 0.36 0.00 0.00 54.97 55.09 1ic0 s GLU 53 Cb -0.19 -3.68 0.09 0.00 0.26 0.00 0.00 34.13 30.62 1ic0 s GLU 53 CO 0.09 -0.30 0.69 1.21 -0.54 0.00 0.00 175.26 176.41 1ic0 s ASN 54 N 1.68 6.19 -0.11 -1.70 2.47 -0.39 -1.14 114.94 121.94 1ic0 s ASN 54 Ca 0.13 -1.33 0.10 0.00 0.42 0.00 0.00 52.86 52.19 1ic0 s ASN 54 Cb -0.16 -2.30 0.48 0.00 -1.45 0.00 0.00 41.25 37.82 1ic0 s ASN 54 CO 0.10 -1.08 1.30 0.29 -3.72 0.00 0.00 177.10 173.99 1ic0 n LYS 55 N 6.32 3.05 -3.16 0.43 5.02 0.34 -0.51 118.16 129.65 1ic0 n LYS 55 Ca -0.09 -1.88 -0.39 0.00 -2.02 0.00 0.00 58.31 53.93 1ic0 n LYS 55 Cb 0.43 -1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1ic0 n LYS 55 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ic0 s SER 56 N -0.63 7.18 0.00 4.39 0.15 -1.13 -4.55 113.70 119.11 1ic0 s SER 56 Ca 0.33 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.38 1ic0 s SER 56 Cb 0.23 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1ic0 s SER 56 CO 0.13 0.24 0.62 -2.65 1.20 0.00 0.00 173.24 172.78 1ic0 n PRO 57 N 1.73 0.00 -4.32 5.44 -0.02 -1.26 -4.02 135.00 132.55 1ic0 n PRO 57 Ca -0.08 0.14 -0.19 0.00 -2.02 0.00 0.00 63.50 61.35 1ic0 n PRO 57 Cb 0.50 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 1ic0 n PRO 57 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1ic0 s ILE 58 N -2.24 0.17 0.39 4.25 -4.36 -1.26 -4.80 121.20 113.34 1ic0 s ILE 58 Ca 0.00 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.12 1ic0 s ILE 58 Cb 0.00 -2.48 -0.09 0.00 1.25 0.00 0.00 42.46 41.14 1ic0 s ILE 58 CO 0.00 0.00 1.27 -0.44 0.24 0.00 0.00 174.94 176.01 1ic0 s SER 59 N -3.37 6.47 0.10 4.36 0.01 -1.26 -3.70 113.70 116.31 1ic0 s SER 59 Ca 0.37 2.60 0.05 0.00 1.31 0.00 0.00 55.95 60.28 1ic0 s SER 59 Cb 0.04 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1ic0 s SER 59 CO 0.21 -0.73 -0.13 -1.61 0.41 0.00 0.00 173.24 171.39 1ic0 s GLU 60 N -2.13 0.92 0.21 12.44 0.41 -0.19 -4.95 118.70 125.40 1ic0 s GLU 60 Ca 0.55 -1.15 0.07 0.00 -0.41 0.00 0.00 54.97 54.02 1ic0 s GLU 60 Cb -0.37 -0.75 -0.04 0.00 -1.78 0.00 0.00 34.13 31.19 1ic0 s GLU 60 CO 0.48 0.14 0.12 0.20 -0.49 0.00 0.00 175.26 175.71 1ic0 s GLY 61 N -2.31 1.60 -0.28 -1.39 0.00 -1.26 -0.44 107.32 103.24 1ic0 s GLY 61 Ca 0.05 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.41 1ic0 s GLY 61 CO 0.02 -1.39 0.30 -0.12 0.00 0.00 0.00 173.10 171.91 1ic0 s PHE 62 N -1.95 -0.49 0.17 1.90 5.36 -0.51 -4.27 117.98 118.19 1ic0 s PHE 62 Ca 0.31 -0.10 0.09 0.00 -0.96 0.00 0.00 56.93 56.27 1ic0 s PHE 62 Cb -0.09 -0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 42.12 1ic0 s PHE 62 CO 0.23 -0.90 -0.19 -1.12 -1.46 0.00 0.00 175.22 171.78 1ic0 s SER 63 N 2.37 2.75 -0.33 6.13 0.01 0.11 -1.78 113.70 122.96 1ic0 s SER 63 Ca 0.09 -0.86 0.03 0.00 1.31 0.00 0.00 55.95 56.52 1ic0 s SER 63 Cb -0.14 -0.17 0.16 0.00 0.21 0.00 0.00 66.02 66.08 1ic0 s SER 63 CO -0.31 -0.02 0.41 -0.63 0.41 0.00 0.00 173.24 173.09 1ic0 s ILE 64 N -2.02 -0.54 0.22 1.44 1.01 0.27 -1.58 121.20 120.00 1ic0 s ILE 64 Ca 0.16 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 1ic0 s ILE 64 Cb -0.06 -0.77 0.18 0.00 0.01 0.00 0.00 42.46 41.83 1ic0 s ILE 64 CO 0.07 -0.38 1.71 0.44 0.00 0.00 0.00 174.94 176.78 1ic0 h ASP 65 N 7.65 0.10 -1.15 3.58 5.19 -1.80 -2.04 116.42 127.94 1ic0 h ASP 65 Ca -0.03 0.11 0.32 0.00 -0.62 0.00 0.00 57.03 56.82 1ic0 h ASP 65 Cb 1.10 0.13 -0.08 0.00 0.18 0.00 0.00 39.33 40.66 1ic0 h ASP 65 CO 0.23 0.04 0.79 0.00 -3.12 0.00 0.00 179.24 177.18 1ic0 h ALA 66 N 1.51 2.72 -0.65 3.45 0.00 -1.95 -1.44 119.26 122.91 1ic0 h ALA 66 Ca 0.35 0.02 -0.47 0.00 0.00 0.00 0.00 54.91 54.81 1ic0 h ALA 66 Cb 0.53 0.08 -0.38 0.00 0.00 0.00 0.00 17.79 18.02 1ic0 h ALA 66 CO -0.41 -1.12 -0.80 1.19 0.00 0.00 0.00 179.25 178.11 1ic0 n PHE 67 N -4.42 2.35 -4.29 0.00 3.01 -0.97 -4.98 117.46 108.16 1ic0 n PHE 67 Ca 0.27 -2.12 -0.35 0.00 1.01 0.00 0.00 57.45 56.25 1ic0 n PHE 67 Cb 1.12 -0.32 -0.06 0.00 -0.01 0.00 0.00 39.48 40.22 1ic0 n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ic0 n GLY 68 N -0.75 -0.33 3.44 1.37 0.00 -0.54 -4.93 105.19 103.45 1ic0 n GLY 68 Ca 0.39 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 1ic0 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ic0 s VAL 69 N -3.62 4.54 -0.33 1.61 1.01 -0.80 -4.99 120.40 117.82 1ic0 s VAL 69 Ca 0.49 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1ic0 s VAL 69 Cb -0.28 -3.27 0.14 0.00 0.00 0.00 0.00 36.38 32.97 1ic0 s VAL 69 CO 0.96 0.13 0.30 -1.58 0.00 0.00 0.00 175.10 174.91 1ic0 s GLN 70 N 1.61 0.47 0.19 2.72 0.74 -1.26 -0.57 119.66 123.57 1ic0 s GLN 70 Ca 0.05 -0.63 0.09 0.00 0.05 0.00 0.00 55.36 54.91 1ic0 s GLN 70 Cb -0.17 -0.82 -0.04 0.00 1.10 0.00 0.00 33.01 33.08 1ic0 s GLN 70 CO 0.06 -1.12 -0.08 -1.21 -0.55 0.00 0.00 175.29 172.39 1ic0 s GLU 71 N 1.78 2.11 -0.18 1.67 0.41 -0.73 -4.97 118.70 118.79 1ic0 s GLU 71 Ca 0.14 -1.28 -0.02 0.00 -0.41 0.00 0.00 54.97 53.39 1ic0 s GLU 71 Cb -0.16 -2.17 0.05 0.00 -1.78 0.00 0.00 34.13 30.08 1ic0 s GLU 71 CO -0.17 0.43 0.01 0.08 -0.49 0.00 0.00 175.26 175.12 1ic0 s VAL 72 N -1.80 0.70 -0.22 2.63 1.01 -1.26 -1.42 120.40 120.03 1ic0 s VAL 72 Ca 0.26 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 1ic0 s VAL 72 Cb -0.08 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1ic0 s VAL 72 CO 0.16 -0.10 0.12 -0.63 0.00 0.00 0.00 175.10 174.65 1ic0 s ILE 73 N 1.79 5.06 0.82 2.22 -1.09 0.42 -4.91 121.20 125.50 1ic0 s ILE 73 Ca -0.01 0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.38 1ic0 s ILE 73 Cb -0.16 -3.34 0.08 0.00 -1.58 0.00 0.00 42.46 37.46 1ic0 s ILE 73 CO -0.07 0.38 1.10 -0.54 -1.23 0.00 0.00 174.94 174.58 1ic0 s LYS 74 N 0.92 1.87 0.27 2.79 1.02 -1.26 -1.03 119.74 124.32 1ic0 s LYS 74 Ca 0.06 1.21 -0.31 0.00 0.02 0.00 0.00 55.97 56.96 1ic0 s LYS 74 Cb -0.13 -1.85 -0.11 0.00 -0.52 0.00 0.00 37.83 35.21 1ic0 s LYS 74 CO 0.03 -1.93 1.63 0.00 -0.92 0.00 0.00 175.35 174.16 1ic0 s ALA 75 N -2.85 3.80 0.00 5.17 0.00 -1.24 -1.34 121.76 125.30 1ic0 s ALA 75 Ca 0.63 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1ic0 s ALA 75 Cb -0.18 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1ic0 s ALA 75 CO 0.57 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1ic0 n GLY 76 N 2.70 2.47 3.90 0.00 0.00 0.33 -4.99 105.19 109.60 1ic0 n GLY 76 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1ic0 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ic0 s GLU 77 N -0.01 2.54 0.00 1.61 0.41 -0.45 -4.80 118.70 118.00 1ic0 s GLU 77 Ca 0.00 0.18 0.02 0.00 -0.41 0.00 0.00 54.97 54.76 1ic0 s GLU 77 Cb 0.00 -2.07 -0.01 0.00 -1.78 0.00 0.00 34.13 30.27 1ic0 s GLU 77 CO 0.00 -1.15 -0.07 0.99 -0.49 0.00 0.00 175.26 174.54 1ic0 s THR 78 N -3.34 0.53 -0.04 3.63 2.01 -1.26 -1.26 115.64 115.91 1ic0 s THR 78 Ca 0.59 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 62.13 1ic0 s THR 78 Cb -0.11 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 71.94 1ic0 s THR 78 CO 0.49 0.07 0.14 -0.75 -0.69 0.00 0.00 174.62 173.88 1ic0 s LYS 79 N -0.37 0.26 -0.30 4.92 2.20 -0.84 -5.01 119.74 120.61 1ic0 s LYS 79 Ca 0.01 0.02 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 1ic0 s LYS 79 Cb -0.04 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1ic0 s LYS 79 CO -0.00 -0.05 0.19 0.99 -0.36 0.00 0.00 175.35 176.12 1ic0 s THR 80 N -0.37 5.13 -0.16 3.43 2.01 -1.26 -0.66 115.64 123.76 1ic0 s THR 80 Ca -0.05 -0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.74 1ic0 s THR 80 Cb -0.03 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1ic0 s THR 80 CO 0.01 0.17 0.54 -0.63 -0.69 0.00 0.00 174.62 174.01 1ic0 s ILE 81 N 1.72 5.12 -0.03 1.82 -1.09 0.33 -4.91 121.20 124.16 1ic0 s ILE 81 Ca 0.06 1.03 0.03 0.00 -2.23 0.00 0.00 60.65 59.55 1ic0 s ILE 81 Cb -0.16 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1ic0 s ILE 81 CO 0.10 0.23 -0.12 -0.94 -1.23 0.00 0.00 174.94 172.97 1ic0 s SER 82 N 0.93 1.61 0.13 3.58 1.04 -1.26 -0.13 113.70 119.60 1ic0 s SER 82 Ca 0.27 -0.26 -0.25 0.00 0.48 0.00 0.00 55.95 56.19 1ic0 s SER 82 Cb -0.16 -0.43 0.08 0.00 0.10 0.00 0.00 66.02 65.61 1ic0 s SER 82 CO 0.11 0.10 1.06 0.72 0.98 0.00 0.00 173.24 176.21 1ic0 s PHE 83 N 0.12 -0.04 -0.05 5.02 -0.71 -1.07 -5.06 117.98 116.20 1ic0 s PHE 83 Ca -0.03 -0.26 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1ic0 s PHE 83 Cb -0.10 0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 42.33 1ic0 s PHE 83 CO 0.01 -0.74 -0.17 0.99 -1.34 0.00 0.00 175.22 173.97 1ic0 s THR 84 N -2.71 2.78 -1.22 -4.49 2.01 -1.26 -1.59 115.64 109.17 1ic0 s THR 84 Ca 0.17 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 1ic0 s THR 84 Cb -0.01 -2.07 0.18 0.00 0.01 0.00 0.00 72.50 70.62 1ic0 s THR 84 CO 0.02 0.58 1.55 0.00 -0.69 0.00 0.00 174.62 176.09 1ic0 n ALA 85 N 2.46 4.40 1.69 7.40 0.00 -0.78 -4.79 120.51 130.89 1ic0 n ALA 85 Ca -0.17 -4.31 0.15 0.00 0.00 0.00 0.00 53.44 49.10 1ic0 n ALA 85 Cb 0.52 -2.97 0.83 0.00 0.00 0.00 0.00 19.45 17.83 1ic0 n ALA 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ic0 n ASP 86 N 4.77 0.00 -3.91 0.00 5.68 -1.26 0.16 116.55 121.99 1ic0 n ASP 86 Ca 0.37 -0.64 -0.20 0.00 -0.50 0.00 0.00 54.79 53.81 1ic0 n ASP 86 Cb 0.40 -0.10 -0.16 0.00 -1.14 0.00 0.00 41.12 40.11 1ic0 n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1ic0 s LYS 87 N -2.21 0.89 0.51 0.11 1.02 -1.26 -4.82 119.74 113.99 1ic0 s LYS 87 Ca 0.39 -0.13 -0.15 0.00 0.02 0.00 0.00 55.97 56.09 1ic0 s LYS 87 Cb 0.20 -0.87 -0.07 0.00 -0.52 0.00 0.00 37.83 36.57 1ic0 s LYS 87 CO 0.38 -0.06 0.96 0.00 -0.92 0.00 0.00 175.35 175.70 1ic0 s ALA 88 N 0.86 3.12 0.00 5.17 0.00 -1.26 -4.78 121.76 124.86 1ic0 s ALA 88 Ca -0.12 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1ic0 s ALA 88 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1ic0 s ALA 88 CO 0.01 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1ic0 n GLY 89 N -1.68 0.88 3.26 0.00 0.00 -0.37 -4.95 105.19 102.33 1ic0 n GLY 89 Ca 0.06 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1ic0 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ic0 s ALA 90 N -1.17 2.39 -0.04 4.61 0.00 -1.26 -0.64 121.76 125.64 1ic0 s ALA 90 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1ic0 s ALA 90 Cb 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 1ic0 s ALA 90 CO 0.00 0.11 -0.17 -0.06 0.00 0.00 0.00 175.76 175.65 1ic0 s PHE 91 N 0.59 1.65 0.09 0.00 0.40 0.20 -4.96 117.98 115.95 1ic0 s PHE 91 Ca -0.11 -0.45 -0.31 0.00 -0.60 0.00 0.00 56.93 55.47 1ic0 s PHE 91 Cb -0.16 -1.11 -0.07 0.00 0.51 0.00 0.00 43.02 42.19 1ic0 s PHE 91 CO 0.03 -0.14 1.27 0.99 0.70 0.00 0.00 175.22 178.08 1ic0 s THR 92 N -0.03 3.72 -0.33 0.64 2.01 -1.26 0.12 115.64 120.52 1ic0 s THR 92 Ca -0.02 1.24 -0.13 0.00 0.31 0.00 0.00 61.69 63.09 1ic0 s THR 92 Cb -0.11 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1ic0 s THR 92 CO 0.02 0.10 0.26 -0.63 -0.69 0.00 0.00 174.62 173.68 1ic0 s ILE 93 N 1.01 5.26 0.17 1.82 -1.09 -0.13 -4.40 121.20 123.84 1ic0 s ILE 93 Ca 0.61 -0.05 -0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1ic0 s ILE 93 Cb -0.33 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1ic0 s ILE 93 CO 0.30 0.03 0.06 -1.66 -1.23 0.00 0.00 174.94 172.45 1ic0 s TRP 94 N 1.80 1.06 -0.22 3.97 1.48 -0.62 -0.47 118.94 125.95 1ic0 s TRP 94 Ca 0.08 -1.21 -0.09 0.00 -1.06 0.00 0.00 56.10 53.81 1ic0 s TRP 94 Cb -0.17 -0.58 -0.04 0.00 -1.16 0.00 0.00 33.47 31.51 1ic0 s TRP 94 CO 0.11 -0.46 0.11 0.00 -4.06 0.00 0.00 176.95 172.65 1ic0 n GLN 96 N 4.01 1.94 -0.05 0.00 3.00 -1.26 -4.14 117.38 120.89 1ic0 n GLN 96 Ca -0.16 -1.45 -0.02 0.00 -0.01 0.00 0.00 57.00 55.36 1ic0 n GLN 96 Cb 0.52 -1.37 -0.12 0.00 0.00 0.00 0.00 30.24 29.28 1ic0 n GLN 96 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ic0 n LEU 97 N 0.67 0.00 -4.42 1.08 4.32 -1.26 -5.05 117.00 112.34 1ic0 n LEU 97 Ca 0.15 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.93 1ic0 n LEU 97 Cb 0.37 0.24 -0.10 0.00 -1.62 0.00 0.00 43.42 42.31 1ic0 n LEU 97 CO 0.11 0.24 -0.38 -1.00 -1.22 0.00 0.00 177.39 175.15 1ic0 s HIS 98 N -2.57 1.94 0.27 -1.77 3.76 -1.26 -5.09 115.29 110.56 1ic0 s HIS 98 Ca -0.07 -0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 53.87 1ic0 s HIS 98 Cb 0.06 -1.07 -0.12 0.00 1.11 0.00 0.00 32.58 32.55 1ic0 s HIS 98 CO 0.60 0.31 1.51 -2.30 -0.85 0.00 0.00 174.74 174.01 1ic0 n PRO 99 N -0.56 2.41 0.06 8.40 -0.02 -1.26 -4.80 135.00 139.23 1ic0 n PRO 99 Ca -0.06 0.86 0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1ic0 n PRO 99 Cb 0.63 -2.58 0.29 0.00 -0.02 0.00 0.00 33.50 31.81 1ic0 n PRO 99 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ic0 n LYS 100 N 2.07 0.06 0.16 -0.52 5.02 -1.26 -0.73 118.16 122.96 1ic0 n LYS 100 Ca 0.10 0.48 0.08 0.00 -2.02 0.00 0.00 58.31 56.94 1ic0 n LYS 100 Cb 0.34 -1.68 0.07 0.00 -0.02 0.00 0.00 35.03 33.75 1ic0 n LYS 100 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1ic0 h ASN 101 N 0.00 0.00 0.00 4.39 -1.24 -1.99 -3.33 115.58 113.41 1ic0 h ASN 101 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 1ic0 h ASN 101 Cb 0.10 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1ic0 h ASN 101 CO 0.00 0.23 -1.51 -0.38 -1.29 0.00 0.00 177.43 174.48 1ic0 n ILE 102 N -3.07 1.51 -3.21 2.57 2.08 0.10 -4.72 119.36 114.61 1ic0 n ILE 102 Ca 0.02 -0.04 -0.46 0.00 0.56 0.00 0.00 62.75 62.82 1ic0 n ILE 102 Cb 0.63 -2.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.31 1ic0 n ILE 102 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1ic0 s HIS 103 N -2.70 3.37 0.36 1.39 2.46 -0.79 -1.53 115.29 117.85 1ic0 s HIS 103 Ca -0.31 -1.50 -0.28 0.00 0.47 0.00 0.00 55.06 53.44 1ic0 s HIS 103 Cb 0.08 -3.93 -0.11 0.00 -0.13 0.00 0.00 32.58 28.49 1ic0 s HIS 103 CO 0.44 -1.14 1.49 1.28 -2.47 0.00 0.00 174.74 174.34 1ic0 n LEU 104 N 5.20 4.57 -4.90 8.88 4.77 -1.02 -4.52 117.00 129.99 1ic0 n LEU 104 Ca 0.03 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.93 1ic0 n LEU 104 Cb 0.45 -1.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.01 1ic0 n LEU 104 CO 0.47 0.09 0.77 -2.84 -1.33 0.00 0.00 177.39 174.55 1ic0 s PRO 105 N -1.77 2.15 0.00 3.23 0.02 -1.26 -4.54 135.00 132.83 1ic0 s PRO 105 Ca 0.56 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.73 1ic0 s PRO 105 Cb -0.49 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1ic0 s PRO 105 CO 0.61 -1.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 1ic0 n GLY 106 N -3.23 6.08 3.12 0.52 0.00 0.38 -4.95 105.19 107.11 1ic0 n GLY 106 Ca 0.08 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1ic0 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ic0 s THR 107 N -0.32 0.05 -0.24 2.61 2.01 -0.59 -0.95 115.64 118.20 1ic0 s THR 107 Ca 0.00 -0.40 -0.03 0.00 0.31 0.00 0.00 61.69 61.57 1ic0 s THR 107 Cb 0.00 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.11 1ic0 s THR 107 CO 0.00 -0.22 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.44 1ic0 s LEU 108 N -0.82 3.04 -0.12 4.42 0.20 0.33 -0.92 118.68 124.81 1ic0 s LEU 108 Ca -0.09 -0.65 -0.01 0.00 0.69 0.00 0.00 54.13 54.07 1ic0 s LEU 108 Cb -0.05 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 1ic0 s LEU 108 CO 0.01 -0.08 -0.08 0.20 -0.29 0.00 0.00 176.35 176.11 1ic0 s ASN 109 N 1.40 4.47 -0.27 3.68 0.01 0.23 0.60 114.94 125.06 1ic0 s ASN 109 Ca 0.03 -0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.03 1ic0 s ASN 109 Cb -0.15 -1.54 0.07 0.00 0.41 0.00 0.00 41.25 40.04 1ic0 s ASN 109 CO -0.04 0.22 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.04 1ic0 s VAL 110 N 0.03 1.87 0.00 1.60 1.01 0.18 -0.48 120.40 124.61 1ic0 s VAL 110 Ca -0.02 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1ic0 s VAL 110 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1ic0 s VAL 110 CO 0.03 -0.24 0.00 1.33 0.00 0.00 0.00 175.10 176.23 1ic0 n VAL 111 N 4.51 0.00 -0.71 2.92 0.24 -0.52 -1.24 118.33 123.53 1ic0 n VAL 111 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1ic0 n VAL 111 Cb 0.43 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1ic0 n VAL 111 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07