#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ic0 s ASN 3 N 0.00 -0.04 0.02 0.26 2.20 -1.26 -4.51 114.94 111.60 1ic0 s ASN 3 Ca 0.00 -0.19 -0.02 0.00 -0.94 0.00 0.00 52.86 51.72 1ic0 s ASN 3 Cb 0.00 0.28 -0.04 0.00 -2.00 0.00 0.00 41.25 39.49 1ic0 s ASN 3 CO 0.00 -0.48 0.19 -0.36 -2.94 0.00 0.00 177.10 173.51 1ic0 s PHE 4 N -1.90 3.54 -0.21 1.54 0.08 -0.08 -4.98 117.98 115.96 1ic0 s PHE 4 Ca -0.10 0.32 -0.02 0.00 0.12 0.00 0.00 56.93 57.25 1ic0 s PHE 4 Cb -0.04 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1ic0 s PHE 4 CO -0.00 0.63 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.84 1ic0 s ASN 5 N -2.15 3.85 -0.10 1.36 0.01 -1.26 -0.31 114.94 116.35 1ic0 s ASN 5 Ca 0.30 -0.55 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 1ic0 s ASN 5 Cb -0.13 -1.63 0.01 0.00 0.41 0.00 0.00 41.25 39.91 1ic0 s ASN 5 CO 0.22 -0.03 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.92 1ic0 s VAL 6 N 1.39 1.64 -0.17 1.60 1.01 -0.62 -4.35 120.40 120.90 1ic0 s VAL 6 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1ic0 s VAL 6 Cb -0.14 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1ic0 s VAL 6 CO -0.07 0.47 -0.09 -0.69 0.00 0.00 0.00 175.10 174.71 1ic0 s VAL 7 N 0.65 3.18 -0.23 2.92 1.01 -0.27 -0.81 120.40 126.85 1ic0 s VAL 7 Ca -0.13 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1ic0 s VAL 7 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1ic0 s VAL 7 CO 0.04 0.49 0.34 -0.63 0.00 0.00 0.00 175.10 175.33 1ic0 s ILE 8 N 0.82 5.23 0.04 2.22 1.01 -0.90 -1.00 121.20 128.63 1ic0 s ILE 8 Ca -0.03 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.23 1ic0 s ILE 8 Cb -0.15 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1ic0 s ILE 8 CO 0.01 0.25 -0.18 0.20 0.00 0.00 0.00 174.94 175.21 1ic0 s ASN 9 N 1.21 2.17 -0.04 3.58 0.01 -0.50 -0.67 114.94 120.70 1ic0 s ASN 9 Ca 0.15 -0.49 -0.01 0.00 -0.71 0.00 0.00 52.86 51.81 1ic0 s ASN 9 Cb -0.15 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.30 1ic0 s ASN 9 CO 0.08 0.12 0.05 0.00 -1.51 0.00 0.00 177.10 175.84 1ic0 s ALA 10 N -0.79 3.49 -0.07 0.60 0.00 -1.26 -0.42 121.76 123.30 1ic0 s ALA 10 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1ic0 s ALA 10 Cb -0.08 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1ic0 s ALA 10 CO 0.01 0.65 -0.09 0.71 0.00 0.00 0.00 175.76 177.05 1ic0 s TYR 11 N -1.08 1.25 -0.38 0.00 1.51 0.11 -4.99 117.35 113.78 1ic0 s TYR 11 Ca 0.19 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1ic0 s TYR 11 Cb -0.12 -1.00 0.11 0.00 -0.11 0.00 0.00 41.96 40.84 1ic0 s TYR 11 CO 0.09 -0.32 0.11 0.34 -1.11 0.00 0.00 175.55 174.67 1ic0 s ASP 12 N 1.04 4.86 -0.13 2.29 -1.08 -1.26 -1.58 116.67 120.81 1ic0 s ASP 12 Ca -0.08 -2.21 0.02 0.00 -0.52 0.00 0.00 52.55 49.76 1ic0 s ASP 12 Cb -0.14 -1.68 -0.00 0.00 -1.46 0.00 0.00 42.92 39.63 1ic0 s ASP 12 CO -0.00 -0.41 -0.18 -0.89 0.52 0.00 0.00 175.17 174.20 1ic0 s THR 13 N 0.85 2.48 -0.07 1.71 2.01 0.23 -5.02 115.64 117.82 1ic0 s THR 13 Ca 0.11 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1ic0 s THR 13 Cb -0.20 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1ic0 s THR 13 CO -0.06 0.54 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.45 1ic0 s THR 14 N 0.55 0.76 -0.09 -0.82 2.01 -1.26 -0.51 115.64 116.29 1ic0 s THR 14 Ca -0.11 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1ic0 s THR 14 Cb -0.16 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.56 1ic0 s THR 14 CO 0.04 0.30 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.46 1ic0 s ILE 15 N 1.33 1.61 0.84 1.82 -1.09 0.35 -4.98 121.20 121.08 1ic0 s ILE 15 Ca -0.04 -0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 1ic0 s ILE 15 Cb -0.14 -1.43 0.09 0.00 -1.58 0.00 0.00 42.46 39.41 1ic0 s ILE 15 CO -0.03 0.46 1.10 -2.16 -1.23 0.00 0.00 174.94 173.08 1ic0 s PRO 16 N 0.61 1.74 0.26 2.79 0.04 -1.26 0.24 135.00 139.42 1ic0 s PRO 16 Ca -0.14 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 61.21 1ic0 s PRO 16 Cb -0.16 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1ic0 s PRO 16 CO 0.04 -1.86 1.49 -1.91 0.04 0.00 0.00 177.00 174.80 1ic0 n GLU 17 N -3.59 2.31 -4.46 4.56 2.13 -1.26 -4.52 120.64 115.80 1ic0 n GLU 17 Ca 0.07 0.82 -0.24 0.00 0.66 0.00 0.00 57.16 58.47 1ic0 n GLU 17 Cb 0.56 -2.53 -0.10 0.00 0.27 0.00 0.00 31.44 29.65 1ic0 n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ic0 s LEU 18 N -0.11 2.59 -0.05 4.31 1.02 0.09 -4.92 118.68 121.60 1ic0 s LEU 18 Ca 0.67 -1.03 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 1ic0 s LEU 18 Cb -0.59 -1.06 0.03 0.00 0.02 0.00 0.00 46.19 44.59 1ic0 s LEU 18 CO 0.49 0.02 0.02 0.20 0.02 0.00 0.00 176.35 177.10 1ic0 s ASN 19 N -3.50 1.10 -0.05 2.29 0.01 -1.26 0.63 114.94 114.16 1ic0 s ASN 19 Ca 0.29 -0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.46 1ic0 s ASN 19 Cb -0.05 -0.26 0.02 0.00 0.41 0.00 0.00 41.25 41.37 1ic0 s ASN 19 CO 0.14 -0.19 -0.08 0.68 -1.51 0.00 0.00 177.10 176.14 1ic0 s VAL 20 N 1.80 0.80 0.00 1.60 -7.23 -0.30 -4.84 120.40 112.23 1ic0 s VAL 20 Ca 0.01 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1ic0 s VAL 20 Cb -0.12 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.05 1ic0 s VAL 20 CO -0.03 0.28 0.00 -0.62 -0.31 0.00 0.00 175.10 174.41 1ic0 n GLU 21 N 3.91 0.00 0.00 4.82 4.71 -1.26 0.26 120.64 133.08 1ic0 n GLU 21 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.91 1ic0 n GLU 21 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 1ic0 n GLU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ic0 n GLY 22 N 0.00 0.00 3.45 0.62 0.00 -1.26 -4.97 105.19 103.02 1ic0 n GLY 22 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1ic0 n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ic0 n VAL 23 N 0.00 0.04 -3.01 1.61 0.31 0.14 -4.97 118.33 112.44 1ic0 n VAL 23 Ca 0.00 -0.22 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 1ic0 n VAL 23 Cb 0.00 -1.26 -0.05 0.00 -0.91 0.00 0.00 33.84 31.61 1ic0 n VAL 23 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ic0 s THR 24 N 8.55 4.90 -0.45 2.52 2.01 -1.26 -1.15 115.64 130.75 1ic0 s THR 24 Ca 1.18 1.23 -0.18 0.00 0.31 0.00 0.00 61.69 64.23 1ic0 s THR 24 Cb -0.99 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 67.52 1ic0 s THR 24 CO 0.48 -0.08 0.50 -0.69 -0.69 0.00 0.00 174.62 174.14 1ic0 s VAL 25 N 2.71 5.02 0.50 3.82 1.01 0.20 -4.98 120.40 128.69 1ic0 s VAL 25 Ca 0.30 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1ic0 s VAL 25 Cb -0.15 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 1ic0 s VAL 25 CO 0.09 -0.56 1.19 0.29 0.00 0.00 0.00 175.10 176.11 1ic0 n LYS 26 N 5.78 1.52 -1.47 2.72 4.76 -1.26 -0.74 118.16 129.48 1ic0 n LYS 26 Ca -0.07 0.56 -0.40 0.00 -2.87 0.00 0.00 58.31 55.53 1ic0 n LYS 26 Cb 0.46 -2.34 0.02 0.00 -1.84 0.00 0.00 35.03 31.33 1ic0 n LYS 26 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1ic0 n ASN 27 N -0.36 -0.87 -4.41 4.39 0.23 -1.26 -4.73 115.26 108.24 1ic0 n ASN 27 Ca 0.10 0.83 -0.30 0.00 -0.53 0.00 0.00 54.58 54.68 1ic0 n ASN 27 Cb 0.43 -1.15 -0.13 0.00 -2.08 0.00 0.00 39.78 36.84 1ic0 n ASN 27 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1ic0 s ILE 28 N -1.59 2.48 -0.18 1.53 1.01 0.14 -4.92 121.20 119.67 1ic0 s ILE 28 Ca 0.66 -1.39 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1ic0 s ILE 28 Cb -0.52 -2.04 0.09 0.00 0.01 0.00 0.00 42.46 39.99 1ic0 s ILE 28 CO 0.56 0.28 0.22 -0.60 0.00 0.00 0.00 174.94 175.40 1ic0 s ARG 29 N -1.56 0.17 -0.07 2.79 3.00 -1.26 -0.50 118.95 121.53 1ic0 s ARG 29 Ca 0.14 0.29 0.01 0.00 -1.00 0.00 0.00 55.73 55.17 1ic0 s ARG 29 Cb -0.10 -1.01 0.02 0.00 0.00 0.00 0.00 34.95 33.86 1ic0 s ARG 29 CO 0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 175.30 174.68 1ic0 s ALA 30 N 2.33 1.04 -0.10 6.12 0.00 0.34 -5.02 121.76 126.47 1ic0 s ALA 30 Ca 0.06 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1ic0 s ALA 30 Cb -0.15 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1ic0 s ALA 30 CO -0.11 -0.05 -0.14 0.12 0.00 0.00 0.00 175.76 175.58 1ic0 s PHE 31 N 1.00 1.83 0.15 0.00 5.36 -1.26 -0.60 117.98 124.46 1ic0 s PHE 31 Ca -0.09 -0.84 -0.14 0.00 -0.96 0.00 0.00 56.93 54.90 1ic0 s PHE 31 Cb -0.15 -1.34 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 1ic0 s PHE 31 CO -0.00 -0.45 0.39 -0.80 -1.46 0.00 0.00 175.22 172.89 1ic0 s ASN 32 N 1.03 -0.14 -0.06 6.13 0.01 -0.61 -4.79 114.94 116.52 1ic0 s ASN 32 Ca -0.06 -0.53 0.05 0.00 -0.71 0.00 0.00 52.86 51.60 1ic0 s ASN 32 Cb -0.15 0.48 -0.01 0.00 0.41 0.00 0.00 41.25 41.99 1ic0 s ASN 32 CO -0.02 -0.91 -0.22 -0.69 -1.51 0.00 0.00 177.10 173.75 1ic0 s VAL 33 N -3.87 1.81 0.02 1.60 1.01 -0.32 0.07 120.40 120.72 1ic0 s VAL 33 Ca 0.08 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1ic0 s VAL 33 Cb 0.02 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1ic0 s VAL 33 CO -0.06 0.51 -0.13 -0.76 0.00 0.00 0.00 175.10 174.65 1ic0 s LEU 34 N 0.02 2.11 -0.15 3.92 1.43 0.44 -2.17 118.68 124.28 1ic0 s LEU 34 Ca -0.07 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1ic0 s LEU 34 Cb -0.14 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1ic0 s LEU 34 CO 0.04 0.08 0.38 0.20 0.23 0.00 0.00 176.35 177.29 1ic0 s ASN 35 N -0.79 6.54 -0.23 2.29 -0.87 -1.26 -1.41 114.94 119.22 1ic0 s ASN 35 Ca 0.03 0.64 0.00 0.00 -1.57 0.00 0.00 52.86 51.97 1ic0 s ASN 35 Cb -0.07 -2.23 0.06 0.00 -0.02 0.00 0.00 41.25 38.99 1ic0 s ASN 35 CO 0.00 0.04 -0.05 -1.61 -2.57 0.00 0.00 177.10 172.91 1ic0 s GLU 36 N 0.60 1.59 0.65 -0.60 2.02 -0.17 -2.71 118.70 120.09 1ic0 s GLU 36 Ca 0.21 -0.92 -0.10 0.00 0.02 0.00 0.00 54.97 54.18 1ic0 s GLU 36 Cb -0.14 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.57 1ic0 s GLU 36 CO 0.07 -0.58 1.03 -1.25 0.02 0.00 0.00 175.26 174.55 1ic0 s PRO 37 N 1.43 3.15 0.10 0.39 0.04 -1.26 -1.11 135.00 137.75 1ic0 s PRO 37 Ca -0.05 0.48 0.17 0.00 0.04 0.00 0.00 61.00 61.64 1ic0 s PRO 37 Cb -0.18 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 1ic0 s PRO 37 CO -0.07 -0.79 0.93 0.93 0.04 0.00 0.00 177.00 178.05 1ic0 h GLU 38 N -0.43 0.00 -5.51 4.56 5.08 -1.90 -3.47 114.58 112.91 1ic0 h GLU 38 Ca -0.45 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.26 1ic0 h GLU 38 Cb 1.23 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.26 1ic0 h GLU 38 CO 0.63 0.30 -0.70 0.99 -1.00 0.00 0.00 179.01 179.23 1ic0 s THR 39 N -2.96 3.61 -0.12 1.13 2.01 -1.26 -1.27 115.64 116.78 1ic0 s THR 39 Ca -0.02 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1ic0 s THR 39 Cb 0.09 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 70.07 1ic0 s THR 39 CO 0.80 0.53 -0.17 -0.76 -0.69 0.00 0.00 174.62 174.33 1ic0 s LEU 40 N 0.08 1.80 -0.17 4.42 1.43 0.15 -4.96 118.68 121.42 1ic0 s LEU 40 Ca -0.02 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1ic0 s LEU 40 Cb -0.14 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1ic0 s LEU 40 CO 0.03 0.03 -0.12 -0.69 0.23 0.00 0.00 176.35 175.83 1ic0 s VAL 41 N 0.97 2.93 0.27 -1.59 1.01 -1.26 0.36 120.40 123.10 1ic0 s VAL 41 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1ic0 s VAL 41 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1ic0 s VAL 41 CO -0.02 0.49 0.15 0.68 0.00 0.00 0.00 175.10 176.40 1ic0 s VAL 42 N 0.91 0.28 -0.05 2.92 -7.23 0.11 -4.97 120.40 112.38 1ic0 s VAL 42 Ca -0.03 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1ic0 s VAL 42 Cb -0.15 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1ic0 s VAL 42 CO -0.01 0.00 0.06 -0.54 -0.31 0.00 0.00 175.10 174.30 1ic0 s LYS 43 N -3.91 3.08 0.19 4.82 1.02 -1.26 -0.01 119.74 123.66 1ic0 s LYS 43 Ca 0.37 -0.41 -0.33 0.00 0.02 0.00 0.00 55.97 55.62 1ic0 s LYS 43 Cb 0.06 -2.88 -0.14 0.00 -0.52 0.00 0.00 37.83 34.35 1ic0 s LYS 43 CO 0.16 0.69 1.47 1.17 -0.92 0.00 0.00 175.35 177.92 1ic0 n LYS 44 N 1.67 1.98 0.00 1.68 4.81 0.51 -0.89 118.16 127.92 1ic0 n LYS 44 Ca -0.16 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1ic0 n LYS 44 Cb 0.53 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.17 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 2.78 3.04 3.77 3.14 0.00 0.14 -4.99 105.19 113.08 1ic0 n GLY 45 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1ic0 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ic0 n ASP 46 N 0.00 3.52 -4.45 1.61 9.92 -0.07 -4.65 116.55 122.44 1ic0 n ASP 46 Ca 0.00 1.17 -0.44 0.00 -0.53 0.00 0.00 54.79 54.99 1ic0 n ASP 46 Cb 0.00 -1.61 -0.06 0.00 -0.64 0.00 0.00 41.12 38.82 1ic0 n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ic0 s ALA 47 N -1.16 3.34 0.11 2.24 0.00 -1.26 -0.67 121.76 124.36 1ic0 s ALA 47 Ca 0.57 -1.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 1ic0 s ALA 47 Cb -0.46 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.12 1ic0 s ALA 47 CO 0.60 -2.16 0.71 0.08 0.00 0.00 0.00 175.76 174.99 1ic0 s VAL 48 N 2.91 4.55 -0.07 0.00 1.01 0.23 -4.90 120.40 124.13 1ic0 s VAL 48 Ca 0.17 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 1ic0 s VAL 48 Cb -0.19 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.16 1ic0 s VAL 48 CO 0.12 0.50 -0.02 -0.54 0.00 0.00 0.00 175.10 175.17 1ic0 s LYS 49 N -0.93 0.73 -0.18 2.72 1.02 -1.26 -0.97 119.74 120.89 1ic0 s LYS 49 Ca 0.34 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.36 1ic0 s LYS 49 Cb -0.21 -0.98 0.03 0.00 -0.52 0.00 0.00 37.83 36.15 1ic0 s LYS 49 CO 0.23 -0.24 -0.13 0.08 -0.92 0.00 0.00 175.35 174.37 1ic0 s VAL 50 N 1.65 1.69 -0.62 3.17 1.01 0.15 -0.91 120.40 126.54 1ic0 s VAL 50 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 1ic0 s VAL 50 Cb -0.13 -1.65 0.10 0.00 0.00 0.00 0.00 36.38 34.70 1ic0 s VAL 50 CO -0.04 0.34 0.78 -0.69 0.00 0.00 0.00 175.10 175.50 1ic0 s VAL 51 N 1.41 4.69 -0.42 2.92 1.01 0.58 -0.35 120.40 130.24 1ic0 s VAL 51 Ca 0.02 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 1ic0 s VAL 51 Cb -0.14 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.71 1ic0 s VAL 51 CO -0.10 -1.23 0.47 -0.69 0.00 0.00 0.00 175.10 173.56 1ic0 s VAL 52 N 3.05 5.04 -0.44 2.92 1.01 0.36 -1.59 120.40 130.76 1ic0 s VAL 52 Ca 0.15 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1ic0 s VAL 52 Cb -0.22 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.13 1ic0 s VAL 52 CO 0.07 -0.45 0.47 -0.70 0.00 0.00 0.00 175.10 174.49 1ic0 s GLU 53 N 2.25 3.09 -0.52 2.72 2.12 0.01 -0.47 118.70 127.90 1ic0 s GLU 53 Ca 0.14 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.34 1ic0 s GLU 53 Cb -0.17 -4.01 0.03 0.00 0.26 0.00 0.00 34.13 30.24 1ic0 s GLU 53 CO 0.14 -0.95 1.19 1.21 -0.54 0.00 0.00 175.26 176.31 1ic0 s ASN 54 N 2.07 6.52 0.00 -1.70 3.04 0.11 -2.11 114.94 122.87 1ic0 s ASN 54 Ca 0.12 0.32 0.22 0.00 0.04 0.00 0.00 52.86 53.56 1ic0 s ASN 54 Cb -0.18 -2.55 0.44 0.00 -1.54 0.00 0.00 41.25 37.42 1ic0 s ASN 54 CO 0.13 -1.38 1.39 0.29 -3.04 0.00 0.00 177.10 174.49 1ic0 n LYS 55 N 8.15 2.49 -1.93 0.43 5.02 0.16 -0.91 118.16 131.56 1ic0 n LYS 55 Ca 0.11 -2.30 -0.32 0.00 -2.02 0.00 0.00 58.31 53.78 1ic0 n LYS 55 Cb 0.49 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.34 5.74 0.00 4.39 0.15 -1.13 -4.66 113.70 116.85 1ic0 s SER 56 Ca 0.38 1.73 0.27 0.00 0.70 0.00 0.00 55.95 59.04 1ic0 s SER 56 Cb 0.22 -2.52 1.36 0.00 -1.71 0.00 0.00 66.02 63.37 1ic0 s SER 56 CO 0.30 -1.20 1.93 -2.65 1.20 0.00 0.00 173.24 172.83 1ic0 n PRO 57 N -2.33 0.35 -4.44 5.44 -0.02 -1.26 -3.82 135.00 128.91 1ic0 n PRO 57 Ca 0.08 0.03 -0.21 0.00 -2.02 0.00 0.00 63.50 61.38 1ic0 n PRO 57 Cb 0.53 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.41 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 -2.61 1.14 0.42 4.25 -4.36 -1.26 -4.84 121.20 113.93 1ic0 s ILE 58 Ca 0.25 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.38 1ic0 s ILE 58 Cb 0.18 -2.78 -0.09 0.00 1.25 0.00 0.00 42.46 41.02 1ic0 s ILE 58 CO 0.42 0.00 1.37 -0.44 0.24 0.00 0.00 174.94 176.53 1ic0 s SER 59 N -3.48 6.17 0.10 4.36 0.01 -1.26 -4.06 113.70 115.54 1ic0 s SER 59 Ca 0.37 2.80 0.07 0.00 1.31 0.00 0.00 55.95 60.49 1ic0 s SER 59 Cb 0.09 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 1ic0 s SER 59 CO 0.15 -0.96 -0.18 -1.61 0.41 0.00 0.00 173.24 171.06 1ic0 s GLU 60 N -2.28 1.01 0.20 12.44 0.41 -0.40 -4.95 118.70 125.13 1ic0 s GLU 60 Ca 0.58 -1.11 0.05 0.00 -0.41 0.00 0.00 54.97 54.08 1ic0 s GLU 60 Cb -0.41 -1.15 -0.04 0.00 -1.78 0.00 0.00 34.13 30.76 1ic0 s GLU 60 CO 0.53 0.26 0.23 0.20 -0.49 0.00 0.00 175.26 176.00 1ic0 s GLY 61 N -1.93 1.53 -0.26 -1.39 0.00 -1.26 0.03 107.32 104.05 1ic0 s GLY 61 Ca 0.04 -1.22 -0.01 0.00 0.00 0.00 0.00 44.72 43.52 1ic0 s GLY 61 CO 0.04 -1.24 0.32 -0.12 0.00 0.00 0.00 173.10 172.09 1ic0 s PHE 62 N -1.89 -0.59 0.04 1.90 5.36 -0.51 -4.25 117.98 118.05 1ic0 s PHE 62 Ca 0.33 0.24 0.06 0.00 -0.96 0.00 0.00 56.93 56.59 1ic0 s PHE 62 Cb -0.10 -0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 42.29 1ic0 s PHE 62 CO 0.26 -0.81 -0.16 -1.12 -1.46 0.00 0.00 175.22 171.93 1ic0 s SER 63 N 2.43 1.95 -0.34 6.13 0.01 0.98 -1.03 113.70 123.83 1ic0 s SER 63 Ca 0.10 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1ic0 s SER 63 Cb -0.14 -0.14 0.14 0.00 0.21 0.00 0.00 66.02 66.09 1ic0 s SER 63 CO -0.24 0.07 0.27 -0.63 0.41 0.00 0.00 173.24 173.12 1ic0 s ILE 64 N -0.86 -0.16 0.18 1.44 1.01 -0.47 -1.62 121.20 120.73 1ic0 s ILE 64 Ca 0.03 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.38 1ic0 s ILE 64 Cb -0.08 -0.92 0.09 0.00 0.01 0.00 0.00 42.46 41.55 1ic0 s ILE 64 CO 0.02 -0.71 1.58 0.44 0.00 0.00 0.00 174.94 176.26 1ic0 h ASP 65 N 7.50 -1.32 -0.51 3.58 3.32 -1.79 -2.17 116.42 125.03 1ic0 h ASP 65 Ca -0.02 0.24 0.15 0.00 0.02 0.00 0.00 57.03 57.41 1ic0 h ASP 65 Cb 1.03 0.63 -0.02 0.00 0.22 0.00 0.00 39.33 41.19 1ic0 h ASP 65 CO 0.28 -0.32 0.54 0.00 -1.72 0.00 0.00 179.24 178.02 1ic0 h ALA 66 N 0.84 2.26 -0.15 3.45 0.00 -1.94 -1.11 119.26 122.61 1ic0 h ALA 66 Ca 0.21 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ic0 h ALA 66 Cb 0.56 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 1ic0 h ALA 66 CO -0.70 -0.80 -0.59 1.19 0.00 0.00 0.00 179.25 178.35 1ic0 n PHE 67 N -3.70 0.53 -4.09 0.00 3.01 -0.93 -4.97 117.46 107.30 1ic0 n PHE 67 Ca 0.10 -1.60 -0.34 0.00 1.01 0.00 0.00 57.45 56.61 1ic0 n PHE 67 Cb 0.74 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.92 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 -0.97 -0.46 3.72 1.37 0.00 -0.42 -4.94 105.19 103.49 1ic0 n GLY 68 Ca 0.23 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.21 5.35 -0.31 1.61 1.01 -0.86 -4.99 120.40 119.00 1ic0 s VAL 69 Ca 0.70 0.38 0.06 0.00 0.00 0.00 0.00 61.98 63.13 1ic0 s VAL 69 Cb -0.38 -3.56 0.20 0.00 0.00 0.00 0.00 36.38 32.64 1ic0 s VAL 69 CO 0.86 0.40 0.59 -1.58 0.00 0.00 0.00 175.10 175.38 1ic0 s GLN 70 N 0.49 0.59 0.16 2.72 0.74 -1.25 -1.37 119.66 121.74 1ic0 s GLN 70 Ca 0.13 0.44 0.10 0.00 0.05 0.00 0.00 55.36 56.07 1ic0 s GLN 70 Cb -0.12 0.22 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 1ic0 s GLN 70 CO 0.02 -1.07 -0.21 -1.21 -0.55 0.00 0.00 175.29 172.27 1ic0 s GLU 71 N 2.69 1.34 -0.18 1.67 0.41 -0.19 -5.00 118.70 119.44 1ic0 s GLU 71 Ca 0.11 -1.41 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 1ic0 s GLU 71 Cb -0.09 -1.54 0.04 0.00 -1.78 0.00 0.00 34.13 30.76 1ic0 s GLU 71 CO -0.23 0.33 -0.09 0.08 -0.49 0.00 0.00 175.26 174.85 1ic0 s VAL 72 N -1.75 1.45 -0.28 2.63 1.01 -1.26 -1.42 120.40 120.78 1ic0 s VAL 72 Ca 0.16 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1ic0 s VAL 72 Cb -0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1ic0 s VAL 72 CO 0.07 0.20 0.14 -0.63 0.00 0.00 0.00 175.10 174.89 1ic0 s ILE 73 N 1.49 4.81 0.82 2.22 -1.09 0.11 -4.93 121.20 124.63 1ic0 s ILE 73 Ca 0.00 -0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.22 1ic0 s ILE 73 Cb -0.15 -3.31 0.09 0.00 -1.58 0.00 0.00 42.46 37.51 1ic0 s ILE 73 CO -0.08 0.24 1.20 -0.54 -1.23 0.00 0.00 174.94 174.53 1ic0 s LYS 74 N 1.68 1.57 0.24 2.79 1.02 -1.26 -1.27 119.74 124.51 1ic0 s LYS 74 Ca 0.06 1.73 -0.31 0.00 0.02 0.00 0.00 55.97 57.47 1ic0 s LYS 74 Cb -0.16 -1.77 -0.12 0.00 -0.52 0.00 0.00 37.83 35.26 1ic0 s LYS 74 CO 0.07 -2.26 1.64 0.00 -0.92 0.00 0.00 175.35 173.89 1ic0 n ALA 75 N -3.40 2.48 -0.75 5.17 0.00 -1.26 -1.79 120.51 120.96 1ic0 n ALA 75 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ic0 n ALA 75 Cb 0.51 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1ic0 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ic0 n GLY 76 N 3.07 1.21 3.94 0.00 0.00 -0.09 -5.01 105.19 108.32 1ic0 n GLY 76 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1ic0 n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ic0 s GLU 77 N -0.11 3.49 -0.05 1.61 2.12 -0.74 -4.82 118.70 120.20 1ic0 s GLU 77 Ca 0.00 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 54.99 1ic0 s GLU 77 Cb 0.00 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1ic0 s GLU 77 CO 0.00 0.24 -0.24 0.99 -0.54 0.00 0.00 175.26 175.71 1ic0 s THR 78 N -2.18 2.20 -0.02 -1.70 2.01 -1.26 0.04 115.64 114.73 1ic0 s THR 78 Ca 0.39 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1ic0 s THR 78 Cb -0.10 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.63 1ic0 s THR 78 CO 0.33 0.57 -0.03 -0.75 -0.69 0.00 0.00 174.62 174.05 1ic0 s LYS 79 N -0.33 0.49 -0.18 4.92 2.20 0.38 -4.97 119.74 122.25 1ic0 s LYS 79 Ca 0.02 -0.08 -0.14 0.00 -0.36 0.00 0.00 55.97 55.40 1ic0 s LYS 79 Cb -0.12 -0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 35.62 1ic0 s LYS 79 CO 0.02 -0.02 0.31 0.99 -0.36 0.00 0.00 175.35 176.29 1ic0 s THR 80 N 0.51 5.28 -0.13 3.43 2.01 -1.26 -0.48 115.64 125.00 1ic0 s THR 80 Ca -0.06 0.56 0.01 0.00 0.31 0.00 0.00 61.69 62.52 1ic0 s THR 80 Cb -0.09 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1ic0 s THR 80 CO -0.01 0.35 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.48 1ic0 s ILE 81 N 0.73 2.72 -0.01 1.82 1.01 0.52 -4.94 121.20 123.06 1ic0 s ILE 81 Ca 0.16 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1ic0 s ILE 81 Cb -0.13 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1ic0 s ILE 81 CO 0.05 0.53 -0.06 -0.94 0.00 0.00 0.00 174.94 174.52 1ic0 s SER 82 N 0.45 0.76 0.27 3.58 1.04 -1.26 0.30 113.70 118.84 1ic0 s SER 82 Ca -0.12 -0.11 -0.21 0.00 0.48 0.00 0.00 55.95 55.99 1ic0 s SER 82 Cb -0.16 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.87 1ic0 s SER 82 CO 0.05 0.06 0.75 0.72 0.98 0.00 0.00 173.24 175.81 1ic0 s PHE 83 N -0.04 -0.17 -0.22 5.02 -0.71 -0.14 -5.00 117.98 116.72 1ic0 s PHE 83 Ca 0.01 -0.28 -0.06 0.00 -1.04 0.00 0.00 56.93 55.56 1ic0 s PHE 83 Cb -0.04 0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 42.45 1ic0 s PHE 83 CO -0.00 -1.21 0.04 0.99 -1.34 0.00 0.00 175.22 173.69 1ic0 s THR 84 N -3.78 4.20 -1.25 -4.49 2.01 -1.26 0.77 115.64 111.84 1ic0 s THR 84 Ca 0.11 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.72 1ic0 s THR 84 Cb -0.05 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 1ic0 s THR 84 CO 0.07 0.40 2.08 0.00 -0.69 0.00 0.00 174.62 176.47 1ic0 n ALA 85 N 4.42 4.55 1.57 7.40 0.00 0.15 -4.69 120.51 133.91 1ic0 n ALA 85 Ca -0.17 -3.69 0.03 0.00 0.00 0.00 0.00 53.44 49.62 1ic0 n ALA 85 Cb 0.52 -3.57 0.13 0.00 0.00 0.00 0.00 19.45 16.52 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 7.13 0.74 -3.87 0.00 3.85 -1.26 0.27 116.55 123.42 1ic0 n ASP 86 Ca 0.51 -1.93 -0.15 0.00 -0.71 0.00 0.00 54.79 52.50 1ic0 n ASP 86 Cb 0.41 -0.09 -0.15 0.00 -1.35 0.00 0.00 41.12 39.94 1ic0 n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1ic0 s LYS 87 N -1.83 0.26 0.32 0.11 1.02 -1.26 -4.85 119.74 113.52 1ic0 s LYS 87 Ca 0.13 -0.01 -0.20 0.00 0.02 0.00 0.00 55.97 55.90 1ic0 s LYS 87 Cb 0.06 -0.35 -0.09 0.00 -0.52 0.00 0.00 37.83 36.93 1ic0 s LYS 87 CO 0.09 -0.04 0.84 0.00 -0.92 0.00 0.00 175.35 175.32 1ic0 s ALA 88 N 0.48 3.25 0.00 5.17 0.00 -1.26 -4.75 121.76 124.65 1ic0 s ALA 88 Ca -0.05 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1ic0 s ALA 88 Cb -0.07 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1ic0 s ALA 88 CO -0.01 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1ic0 n GLY 89 N 0.08 0.26 2.87 0.00 0.00 -0.92 -4.99 105.19 102.50 1ic0 n GLY 89 Ca 0.02 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.00 1.06 -0.01 4.61 0.00 -1.26 -1.44 121.76 123.72 1ic0 s ALA 90 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1ic0 s ALA 90 Cb 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 1ic0 s ALA 90 CO 0.00 -0.36 -0.18 -0.06 0.00 0.00 0.00 175.76 175.16 1ic0 s PHE 91 N 1.65 1.66 0.25 0.00 0.40 -0.06 -4.96 117.98 116.91 1ic0 s PHE 91 Ca 0.02 -0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 55.74 1ic0 s PHE 91 Cb -0.13 -1.06 -0.09 0.00 0.51 0.00 0.00 43.02 42.25 1ic0 s PHE 91 CO -0.06 -0.02 1.25 0.99 0.70 0.00 0.00 175.22 178.08 1ic0 s THR 92 N -0.45 3.20 -0.22 0.64 2.01 -1.26 0.43 115.64 120.00 1ic0 s THR 92 Ca 0.07 1.09 -0.06 0.00 0.31 0.00 0.00 61.69 63.09 1ic0 s THR 92 Cb -0.07 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1ic0 s THR 92 CO -0.01 0.21 0.04 -0.63 -0.69 0.00 0.00 174.62 173.54 1ic0 s ILE 93 N -0.49 4.21 0.18 1.82 1.01 -0.56 -4.43 121.20 122.94 1ic0 s ILE 93 Ca 0.52 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1ic0 s ILE 93 Cb -0.36 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1ic0 s ILE 93 CO 0.42 0.40 0.33 -1.66 0.00 0.00 0.00 174.94 174.43 1ic0 s TRP 94 N 1.15 0.35 -0.28 3.97 1.48 -0.64 -0.14 118.94 124.83 1ic0 s TRP 94 Ca 0.04 -0.71 -0.12 0.00 -1.06 0.00 0.00 56.10 54.24 1ic0 s TRP 94 Cb -0.14 0.01 -0.04 0.00 -1.16 0.00 0.00 33.47 32.14 1ic0 s TRP 94 CO 0.02 -0.78 0.25 0.00 -4.06 0.00 0.00 176.95 172.39 1ic0 n GLN 96 N 5.15 1.42 -0.11 0.00 0.00 -1.26 -3.90 117.38 118.68 1ic0 n GLN 96 Ca -0.12 -0.63 -0.17 0.00 0.00 0.00 0.00 57.00 56.08 1ic0 n GLN 96 Cb 0.51 -1.28 -0.13 0.00 0.00 0.00 0.00 30.24 29.34 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 -0.10 2.37 -4.55 2.61 4.32 -1.26 -5.04 117.00 115.35 1ic0 n LEU 97 Ca 0.12 -0.06 -0.26 0.00 -0.02 0.00 0.00 56.01 55.79 1ic0 n LEU 97 Cb 0.19 -0.66 -0.10 0.00 -1.62 0.00 0.00 43.42 41.23 1ic0 n LEU 97 CO 0.09 0.84 -0.39 -1.00 -1.22 0.00 0.00 177.39 175.72 1ic0 s HIS 98 N -2.52 2.41 0.23 -1.77 3.76 -1.25 -5.10 115.29 111.05 1ic0 s HIS 98 Ca -0.28 -0.47 -0.32 0.00 -0.15 0.00 0.00 55.06 53.83 1ic0 s HIS 98 Cb 0.08 -1.35 -0.13 0.00 1.11 0.00 0.00 32.58 32.29 1ic0 s HIS 98 CO 0.66 0.59 1.55 -2.30 -0.85 0.00 0.00 174.74 174.40 1ic0 n PRO 99 N -0.79 2.38 0.21 8.40 -0.02 -1.26 -4.77 135.00 139.14 1ic0 n PRO 99 Ca -0.05 0.85 0.18 0.00 -2.02 0.00 0.00 63.50 62.46 1ic0 n PRO 99 Cb 0.63 -2.60 0.84 0.00 -0.02 0.00 0.00 33.50 32.35 1ic0 n PRO 99 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ic0 h LYS 100 N 5.19 0.00 -0.63 -0.52 1.79 -1.88 0.53 116.57 121.06 1ic0 h LYS 100 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1ic0 h LYS 100 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1ic0 h LYS 100 CO 0.83 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 179.47 1ic0 n ASN 101 N -3.62 3.56 -0.02 0.86 6.94 -1.26 -3.77 115.26 117.94 1ic0 n ASN 101 Ca 0.02 -2.11 -0.06 0.00 -0.02 0.00 0.00 54.58 52.41 1ic0 n ASN 101 Cb 0.36 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.31 1ic0 n ASN 101 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1ic0 n ILE 102 N 1.21 1.23 -3.17 1.53 5.41 0.05 -4.80 119.36 120.82 1ic0 n ILE 102 Ca 0.21 0.20 -0.45 0.00 1.00 0.00 0.00 62.75 63.71 1ic0 n ILE 102 Cb 0.60 -1.88 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 1ic0 n ILE 102 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1ic0 s HIS 103 N -2.37 3.20 0.24 1.39 2.46 -0.45 -1.17 115.29 118.58 1ic0 s HIS 103 Ca -0.14 -1.26 -0.30 0.00 0.47 0.00 0.00 55.06 53.83 1ic0 s HIS 103 Cb 0.03 -3.97 -0.10 0.00 -0.13 0.00 0.00 32.58 28.40 1ic0 s HIS 103 CO 0.20 -1.21 1.44 -0.51 -2.47 0.00 0.00 174.74 172.18 1ic0 s LEU 104 N 2.03 4.39 0.83 8.88 1.43 -0.92 -4.47 118.68 130.84 1ic0 s LEU 104 Ca 0.14 2.65 -0.11 0.00 -1.03 0.00 0.00 54.13 55.77 1ic0 s LEU 104 Cb -0.20 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.49 1ic0 s LEU 104 CO 0.01 -0.70 1.09 -2.84 0.23 0.00 0.00 176.35 174.14 1ic0 s PRO 105 N -0.27 1.77 0.00 1.29 0.02 -1.26 -4.53 135.00 132.02 1ic0 s PRO 105 Ca 0.60 0.76 0.00 0.00 0.02 0.00 0.00 61.00 62.38 1ic0 s PRO 105 Cb -0.42 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1ic0 s PRO 105 CO 0.42 -1.87 0.00 0.41 -0.33 0.00 0.00 177.00 175.64 1ic0 n GLY 106 N -1.63 6.05 3.02 0.52 0.00 0.80 -4.95 105.19 109.00 1ic0 n GLY 106 Ca 0.07 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.26 0.03 -0.27 2.61 2.01 -0.40 -1.49 115.64 117.87 1ic0 s THR 107 Ca 0.00 -0.24 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 1ic0 s THR 107 Cb 0.00 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1ic0 s THR 107 CO 0.00 -0.13 0.02 -0.22 -0.69 0.00 0.00 174.62 173.60 1ic0 s LEU 108 N -0.40 3.51 -0.24 4.42 0.20 0.17 -0.67 118.68 125.67 1ic0 s LEU 108 Ca -0.05 -0.73 -0.08 0.00 0.69 0.00 0.00 54.13 53.97 1ic0 s LEU 108 Cb -0.03 -1.79 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 1ic0 s LEU 108 CO 0.00 -0.15 0.08 0.20 -0.29 0.00 0.00 176.35 176.19 1ic0 s ASN 109 N 1.44 5.27 -0.40 3.68 0.01 0.16 -0.89 114.94 124.21 1ic0 s ASN 109 Ca 0.02 -0.15 -0.06 0.00 -0.71 0.00 0.00 52.86 51.96 1ic0 s ASN 109 Cb -0.17 -1.94 0.08 0.00 0.41 0.00 0.00 41.25 39.63 1ic0 s ASN 109 CO -0.01 -0.00 0.20 -0.69 -1.51 0.00 0.00 177.10 175.10 1ic0 s VAL 110 N 1.42 3.79 0.39 1.60 1.01 -0.52 0.09 120.40 128.19 1ic0 s VAL 110 Ca 0.06 -1.56 -0.00 0.00 0.00 0.00 0.00 61.98 60.47 1ic0 s VAL 110 Cb -0.15 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1ic0 s VAL 110 CO 0.04 -0.49 0.61 -0.69 0.00 0.00 0.00 175.10 174.57 1ic0 s VAL 111 N 1.33 4.72 0.00 2.92 1.01 0.99 -2.15 120.40 129.20 1ic0 s VAL 111 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1ic0 s VAL 111 Cb -0.22 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1ic0 s VAL 111 CO -0.00 -0.51 0.00 -0.62 0.00 0.00 0.00 175.10 173.97