#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ull s GLU 11 N 0.00 0.26 -0.09 1.47 2.12 -1.26 -5.16 118.70 116.04 3ull s GLU 11 Ca 0.00 0.40 -0.03 0.00 0.36 0.00 0.00 54.97 55.71 3ull s GLU 11 Cb 0.00 0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.44 3ull s GLU 11 CO 0.00 -0.05 0.02 1.03 -0.54 0.00 0.00 175.26 175.73 3ull s ARG 12 N 0.86 3.05 0.45 4.30 3.00 -1.26 -5.12 118.95 124.23 3ull s ARG 12 Ca -0.04 -0.37 0.06 0.00 0.00 0.00 0.00 55.73 55.38 3ull s ARG 12 Cb -0.04 -2.85 -0.04 0.00 0.00 0.00 0.00 34.95 32.03 3ull s ARG 12 CO -0.12 0.71 0.15 -1.54 0.00 0.00 0.00 175.30 174.51 3ull s SER 13 N -0.91 4.31 -0.02 0.23 1.04 -1.26 -5.16 113.70 111.93 3ull s SER 13 Ca 0.14 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3ull s SER 13 Cb -0.11 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.88 3ull s SER 13 CO 0.03 -0.67 0.00 -0.76 0.98 0.00 0.00 173.24 172.82 3ull s LEU 14 N -3.92 1.44 -0.37 2.42 1.43 -1.26 -5.08 118.68 113.34 3ull s LEU 14 Ca 0.32 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3ull s LEU 14 Cb 0.04 -0.14 0.13 0.00 0.03 0.00 0.00 46.19 46.25 3ull s LEU 14 CO 0.18 -0.06 0.20 0.21 0.23 0.00 0.00 176.35 177.11 3ull s ASN 15 N 0.66 3.29 0.03 2.29 3.84 -1.26 -5.11 114.94 118.67 3ull s ASN 15 Ca -0.06 -2.21 0.07 0.00 0.21 0.00 0.00 52.86 50.87 3ull s ASN 15 Cb -0.09 -0.62 -0.02 0.00 -0.55 0.00 0.00 41.25 39.97 3ull s ASN 15 CO -0.01 -0.31 -0.21 -0.13 -2.79 0.00 0.00 177.10 173.64 3ull s ARG 16 N 0.98 1.49 -0.03 0.43 1.81 -1.26 -4.34 118.95 118.03 3ull s ARG 16 Ca 0.17 -0.89 -0.01 0.00 -1.72 0.00 0.00 55.73 53.28 3ull s ARG 16 Cb -0.23 -1.56 0.03 0.00 -0.45 0.00 0.00 34.95 32.75 3ull s ARG 16 CO -0.04 0.41 0.03 0.08 -0.68 0.00 0.00 175.30 175.10 3ull s VAL 17 N -0.71 -0.02 -0.18 3.52 1.01 -0.26 -4.93 120.40 118.84 3ull s VAL 17 Ca 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 3ull s VAL 17 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 3ull s VAL 17 CO 0.01 0.13 -0.10 -1.00 0.00 0.00 0.00 175.10 174.15 3ull s HIS 18 N 1.44 2.88 -0.02 5.22 3.76 -1.26 -1.91 115.29 125.39 3ull s HIS 18 Ca -0.04 -0.87 0.01 0.00 -0.15 0.00 0.00 55.06 54.01 3ull s HIS 18 Cb -0.13 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.60 3ull s HIS 18 CO -0.03 -0.42 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.89 3ull s LEU 19 N 0.95 1.58 -0.07 0.89 1.02 -0.79 -5.01 118.68 117.25 3ull s LEU 19 Ca -0.02 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.04 3ull s LEU 19 Cb -0.15 -0.34 0.02 0.00 0.02 0.00 0.00 46.19 45.75 3ull s LEU 19 CO -0.00 -0.01 -0.06 -0.22 0.02 0.00 0.00 176.35 176.07 3ull s LEU 20 N 0.50 1.25 0.00 1.79 0.20 -1.26 -1.35 118.68 119.82 3ull s LEU 20 Ca -0.06 -0.20 -0.11 0.00 0.69 0.00 0.00 54.13 54.44 3ull s LEU 20 Cb -0.09 -0.63 0.04 0.00 -0.43 0.00 0.00 46.19 45.07 3ull s LEU 20 CO -0.00 -0.07 0.53 0.61 -0.29 0.00 0.00 176.35 177.12 3ull n GLY 21 N 4.38 0.67 3.79 7.98 0.00 -0.85 -4.83 105.19 116.34 3ull n GLY 21 Ca -0.18 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 3ull n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ull s ARG 22 N -2.01 3.59 0.18 1.61 0.52 -1.09 -2.05 118.95 119.70 3ull s ARG 22 Ca 0.12 -0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 3ull s ARG 22 Cb -0.01 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.21 3ull s ARG 22 CO 0.01 0.61 1.19 0.08 0.02 0.00 0.00 175.30 177.21 3ull s VAL 23 N -0.56 3.60 -0.04 3.52 1.01 0.66 0.47 120.40 129.06 3ull s VAL 23 Ca 0.12 1.34 0.09 0.00 0.00 0.00 0.00 61.98 63.53 3ull s VAL 23 Cb -0.12 -3.86 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 3ull s VAL 23 CO 0.02 0.21 0.67 1.23 0.00 0.00 0.00 175.10 177.23 3ull h GLY 24 N 5.27 0.05 -3.02 4.51 0.00 -1.46 -1.34 103.07 107.07 3ull h GLY 24 Ca -0.44 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 3ull h GLY 24 CO 0.75 0.11 -0.38 -0.86 0.00 0.00 0.00 176.54 176.15 3ull s GLN 25 N -2.60 0.93 0.10 4.80 -2.07 -1.26 -4.74 119.66 114.82 3ull s GLN 25 Ca -0.07 -1.05 -0.31 0.00 -1.82 0.00 0.00 55.36 52.11 3ull s GLN 25 Cb 0.08 0.34 -0.08 0.00 -1.09 0.00 0.00 33.01 32.27 3ull s GLN 25 CO 0.82 -0.31 1.36 -0.51 -1.32 0.00 0.00 175.29 175.33 3ull s ASP 26 N -2.90 6.86 0.41 12.60 1.01 -1.26 -4.32 116.67 129.07 3ull s ASP 26 Ca 0.09 2.27 -0.27 0.00 0.71 0.00 0.00 52.55 55.36 3ull s ASP 26 Cb 0.05 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 3ull s ASP 26 CO -0.07 -0.63 1.42 -0.81 0.21 0.00 0.00 175.17 175.29 3ull n PRO 27 N 3.98 2.37 -4.19 8.23 -0.04 -1.26 -4.96 135.00 139.13 3ull n PRO 27 Ca 0.11 0.84 -0.34 0.00 -0.04 0.00 0.00 63.50 64.06 3ull n PRO 27 Cb 0.43 -2.59 -0.13 0.00 -0.04 0.00 0.00 33.50 31.17 3ull n PRO 27 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ull s VAL 28 N -1.16 3.77 -0.43 0.52 1.01 -0.45 -4.93 120.40 118.73 3ull s VAL 28 Ca 0.57 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3ull s VAL 28 Cb -0.48 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3ull s VAL 28 CO 0.60 0.45 1.12 -0.76 0.00 0.00 0.00 175.10 176.52 3ull s LEU 29 N 0.86 3.72 -0.32 3.92 1.43 -1.26 -1.25 118.68 125.78 3ull s LEU 29 Ca -0.00 0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 53.60 3ull s LEU 29 Cb -0.14 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 3ull s LEU 29 CO 0.02 -1.14 0.36 -0.60 0.23 0.00 0.00 176.35 175.22 3ull s ARG 30 N 4.22 3.72 -0.41 1.70 6.06 0.64 -4.95 118.95 129.94 3ull s ARG 30 Ca 0.47 -0.26 0.07 0.00 -2.50 0.00 0.00 55.73 53.51 3ull s ARG 30 Cb -0.09 -3.75 0.23 0.00 0.06 0.00 0.00 34.95 31.40 3ull s ARG 30 CO 0.27 -0.44 0.51 0.94 -2.50 0.00 0.00 175.30 174.09 3ull n GLN 31 N 5.37 0.58 -2.73 5.12 -0.06 -1.26 -1.80 117.38 122.60 3ull n GLN 31 Ca -0.09 -3.05 -0.40 0.00 -2.00 0.00 0.00 57.00 51.47 3ull n GLN 31 Cb 0.50 -1.35 -0.06 0.00 -4.06 0.00 0.00 30.24 25.27 3ull n GLN 31 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3ull s VAL 32 N -0.66 4.03 0.00 1.69 1.01 -1.26 -4.70 120.40 120.52 3ull s VAL 32 Ca 0.34 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.34 3ull s VAL 32 Cb 0.14 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3ull s VAL 32 CO -0.14 0.46 0.00 -1.84 0.00 0.00 0.00 175.10 173.57 3ull n GLU 33 N 1.38 0.00 -1.42 2.72 0.00 -1.26 -2.75 120.64 119.31 3ull n GLU 33 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.14 3ull n GLU 33 Cb 0.47 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.93 3ull n GLU 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ull n GLY 34 N 0.00 -0.28 2.16 -1.84 0.00 -1.26 -5.17 105.19 98.80 3ull n GLY 34 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 3ull n GLY 34 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ull n LYS 35 N -0.25 -0.23 -2.49 1.61 0.00 -1.11 -5.03 118.16 110.67 3ull n LYS 35 Ca -0.05 -1.35 -0.43 0.00 -0.00 0.00 0.00 58.31 56.49 3ull n LYS 35 Cb 0.52 -0.55 -0.02 0.00 -0.00 0.00 0.00 35.03 34.97 3ull n LYS 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3ull s ASN 36 N -3.48 6.94 0.66 -5.58 6.03 -1.26 -4.93 114.94 113.32 3ull s ASN 36 Ca 0.39 1.52 -0.17 0.00 -1.03 0.00 0.00 52.86 53.57 3ull s ASN 36 Cb -0.02 -2.54 0.00 0.00 -3.03 0.00 0.00 41.25 35.67 3ull s ASN 36 CO 0.27 -0.80 1.22 -2.16 -2.03 0.00 0.00 177.10 173.60 3ull s PRO 37 N 3.54 2.54 0.07 3.55 0.04 -1.26 -5.01 135.00 138.46 3ull s PRO 37 Ca 0.52 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.41 3ull s PRO 37 Cb -0.19 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3ull s PRO 37 CO 0.14 -1.54 -0.10 0.08 0.04 0.00 0.00 177.00 175.62 3ull s VAL 38 N -1.76 0.82 -0.27 -0.36 1.01 -0.75 -4.75 120.40 114.35 3ull s VAL 38 Ca 0.77 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3ull s VAL 38 Cb -0.31 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.11 3ull s VAL 38 CO 0.40 -0.41 -0.01 -0.89 0.00 0.00 0.00 175.10 174.19 3ull s THR 39 N -1.74 3.16 -0.20 3.92 2.01 -1.02 -0.26 115.64 121.51 3ull s THR 39 Ca -0.03 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 60.86 3ull s THR 39 Cb -0.07 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3ull s THR 39 CO 0.01 0.10 0.07 -0.63 -0.69 0.00 0.00 174.62 173.47 3ull s ILE 40 N 1.35 4.65 0.26 1.82 -1.09 -0.38 0.00 121.20 127.80 3ull s ILE 40 Ca -0.01 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.36 3ull s ILE 40 Cb -0.17 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 3ull s ILE 40 CO -0.02 0.42 0.18 0.72 -1.23 0.00 0.00 174.94 175.01 3ull s PHE 41 N 0.78 1.42 0.04 3.97 -0.71 -0.92 -1.34 117.98 121.22 3ull s PHE 41 Ca 0.04 -1.47 0.09 0.00 -1.04 0.00 0.00 56.93 54.54 3ull s PHE 41 Cb -0.13 -0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 40.99 3ull s PHE 41 CO 0.02 -0.69 -0.24 -1.54 -1.34 0.00 0.00 175.22 171.43 3ull s SER 42 N -3.26 3.32 -0.09 1.98 1.04 -1.26 -0.35 113.70 115.08 3ull s SER 42 Ca 0.39 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3ull s SER 42 Cb 0.05 -0.38 -0.02 0.00 0.10 0.00 0.00 66.02 65.77 3ull s SER 42 CO 0.18 0.26 -0.10 -0.22 0.98 0.00 0.00 173.24 174.35 3ull s LEU 43 N -1.23 2.96 -0.24 2.42 2.96 0.14 -1.10 118.68 124.60 3ull s LEU 43 Ca 0.12 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 3ull s LEU 43 Cb -0.10 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3ull s LEU 43 CO 0.03 0.28 0.32 0.00 -1.32 0.00 0.00 176.35 175.65 3ull s ALA 44 N -0.30 3.57 -0.07 5.97 0.00 0.18 -1.60 121.76 129.51 3ull s ALA 44 Ca 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3ull s ALA 44 Cb -0.13 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 3ull s ALA 44 CO 0.03 -0.40 -0.15 0.99 0.00 0.00 0.00 175.76 176.22 3ull s THR 45 N 1.51 2.93 0.46 0.00 2.01 -0.59 -2.66 115.64 119.30 3ull s THR 45 Ca 0.14 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.46 3ull s THR 45 Cb -0.15 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 3ull s THR 45 CO 0.08 0.57 0.35 0.20 -0.69 0.00 0.00 174.62 175.13 3ull s ASN 46 N -0.41 4.79 -0.30 3.53 0.01 -1.26 -0.24 114.94 121.07 3ull s ASN 46 Ca 0.04 -0.97 -0.07 0.00 -0.71 0.00 0.00 52.86 51.15 3ull s ASN 46 Cb -0.12 -0.24 0.17 0.00 0.41 0.00 0.00 41.25 41.47 3ull s ASN 46 CO 0.02 -0.78 0.76 -0.70 -1.51 0.00 0.00 177.10 174.89 3ull s GLU 47 N -4.14 0.45 0.01 -0.60 2.56 0.11 -4.89 118.70 112.19 3ull s GLU 47 Ca 0.43 0.92 -0.17 0.00 0.00 0.00 0.00 54.97 56.15 3ull s GLU 47 Cb -0.01 0.53 -0.06 0.00 2.00 0.00 0.00 34.13 36.59 3ull s GLU 47 CO 0.25 -0.37 0.48 -1.64 -0.56 0.00 0.00 175.26 173.41 3ull s MET 48 N 2.83 4.08 -0.22 4.30 -1.94 -1.26 -0.35 119.30 126.73 3ull s MET 48 Ca 0.07 0.53 -0.10 0.00 -1.71 0.00 0.00 55.69 54.49 3ull s MET 48 Cb -0.12 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 3ull s MET 48 CO -0.18 0.59 0.14 -1.58 -0.01 0.00 0.00 175.02 173.98 3ull s TRP 49 N -0.81 3.34 -0.25 -0.03 0.51 0.20 -4.96 118.94 116.93 3ull s TRP 49 Ca 0.26 0.24 -0.06 0.00 -2.12 0.00 0.00 56.10 54.42 3ull s TRP 49 Cb -0.17 -2.21 -0.01 0.00 -0.81 0.00 0.00 33.47 30.26 3ull s TRP 49 CO 0.15 0.15 0.03 0.50 -0.51 0.00 0.00 176.95 177.27 3ull s ARG 50 N 0.76 3.41 0.00 4.98 3.52 -1.26 -4.11 118.95 126.25 3ull s ARG 50 Ca 0.07 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3ull s ARG 50 Cb -0.13 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3ull s ARG 50 CO 0.02 -0.26 0.00 0.43 -0.81 0.00 0.00 175.30 174.68 3ull n SER 51 N 4.86 0.00 0.00 -2.12 7.64 -1.26 -5.20 113.62 117.55 3ull n SER 51 Ca -0.16 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 58.89 3ull n SER 51 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3ull n SER 51 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3ull n ASP 61 N 0.00 0.00 -4.01 6.43 2.03 -1.26 -5.22 116.55 114.53 3ull n ASP 61 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 3ull n ASP 61 Cb 0.21 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.51 3ull n ASP 61 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3ull s VAL 62 N 0.00 3.63 -0.15 5.18 1.01 -1.26 -4.74 120.40 124.07 3ull s VAL 62 Ca 0.00 -4.07 0.02 0.00 0.00 0.00 0.00 61.98 57.93 3ull s VAL 62 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.08 3ull s VAL 62 CO 0.00 -1.04 -0.21 -0.55 0.00 0.00 0.00 175.10 173.30 3ull s SER 63 N -0.78 3.18 0.39 3.32 0.15 -1.26 -5.00 113.70 113.70 3ull s SER 63 Ca 0.26 -0.60 0.08 0.00 0.70 0.00 0.00 55.95 56.39 3ull s SER 63 Cb -0.06 -1.47 -0.06 0.00 -1.71 0.00 0.00 66.02 62.72 3ull s SER 63 CO -0.14 0.06 0.07 0.00 1.20 0.00 0.00 173.24 174.43 3ull s GLN 64 N 0.94 2.08 -0.02 5.44 0.00 -1.26 0.58 119.66 127.42 3ull s GLN 64 Ca -0.04 -1.93 -0.13 0.00 -0.00 0.00 0.00 55.36 53.27 3ull s GLN 64 Cb -0.15 -1.83 0.02 0.00 0.00 0.00 0.00 33.01 31.05 3ull s GLN 64 CO -0.04 -0.03 0.27 0.21 0.00 0.00 0.00 175.29 175.69 3ull s LYS 65 N -3.78 0.60 -0.08 9.60 2.20 0.52 -4.96 119.74 123.85 3ull s LYS 65 Ca 0.37 -0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 3ull s LYS 65 Cb 0.05 0.26 0.03 0.00 -1.51 0.00 0.00 37.83 36.66 3ull s LYS 65 CO 0.20 -0.16 -0.03 -0.08 -0.36 0.00 0.00 175.35 174.92 3ull s THR 66 N -1.25 0.60 -0.12 3.43 -1.32 -1.26 0.06 115.64 115.77 3ull s THR 66 Ca -0.13 -0.05 -0.06 0.00 -1.21 0.00 0.00 61.69 60.24 3ull s THR 66 Cb -0.06 -0.69 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 3ull s THR 66 CO 0.03 0.28 0.09 -0.89 -2.21 0.00 0.00 174.62 171.93 3ull s THR 67 N 1.66 5.05 -0.24 5.08 2.01 0.67 -4.96 115.64 124.90 3ull s THR 67 Ca 0.01 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 3ull s THR 67 Cb -0.13 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 3ull s THR 67 CO -0.05 0.58 0.02 0.26 -0.69 0.00 0.00 174.62 174.74 3ull s TRP 68 N -0.72 3.04 -0.21 4.92 0.52 -1.26 -1.54 118.94 123.68 3ull s TRP 68 Ca 0.12 -0.77 -0.10 0.00 0.02 0.00 0.00 56.10 55.38 3ull s TRP 68 Cb -0.12 -2.18 -0.05 0.00 -1.15 0.00 0.00 33.47 29.98 3ull s TRP 68 CO 0.03 -0.49 0.13 -1.01 0.02 0.00 0.00 176.95 175.63 3ull s HIS 69 N 1.53 3.33 -0.50 -1.98 3.76 -0.63 -4.94 115.29 115.85 3ull s HIS 69 Ca 0.05 0.21 -0.24 0.00 -0.15 0.00 0.00 55.06 54.94 3ull s HIS 69 Cb -0.15 -2.19 0.04 0.00 1.11 0.00 0.00 32.58 31.38 3ull s HIS 69 CO 0.00 0.15 0.89 0.50 -0.85 0.00 0.00 174.74 175.43 3ull s ARG 70 N 0.69 3.39 0.03 1.40 3.52 -1.26 -0.68 118.95 126.03 3ull s ARG 70 Ca 0.07 -0.15 -0.16 0.00 -0.13 0.00 0.00 55.73 55.35 3ull s ARG 70 Cb -0.12 -4.00 -0.06 0.00 -1.56 0.00 0.00 34.95 29.21 3ull s ARG 70 CO 0.01 -1.33 0.48 0.42 -0.81 0.00 0.00 175.30 174.07 3ull s ILE 71 N 3.70 4.91 -0.10 4.11 -1.09 0.53 -1.92 121.20 131.34 3ull s ILE 71 Ca 0.31 0.99 0.03 0.00 -2.23 0.00 0.00 60.65 59.75 3ull s ILE 71 Cb -0.12 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 3ull s ILE 71 CO 0.21 0.56 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.86 3ull s SER 72 N -1.12 2.56 -0.42 3.58 0.01 -0.75 -2.16 113.70 115.40 3ull s SER 72 Ca 0.26 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3ull s SER 72 Cb -0.18 -1.17 0.11 0.00 0.21 0.00 0.00 66.02 65.00 3ull s SER 72 CO 0.16 0.08 0.18 -0.69 0.41 0.00 0.00 173.24 173.38 3ull s VAL 73 N 0.64 2.93 0.60 3.43 1.01 0.10 -1.61 120.40 127.49 3ull s VAL 73 Ca -0.14 -2.38 -0.01 0.00 0.00 0.00 0.00 61.98 59.45 3ull s VAL 73 Cb -0.16 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.22 3ull s VAL 73 CO 0.04 -0.69 0.85 -0.36 0.00 0.00 0.00 175.10 174.93 3ull s PHE 74 N 0.78 2.89 0.00 5.22 0.08 -1.26 -2.43 117.98 123.26 3ull s PHE 74 Ca 0.11 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.30 3ull s PHE 74 Cb -0.22 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 3ull s PHE 74 CO -0.05 -1.03 0.00 0.54 -0.10 0.00 0.00 175.22 174.58 3ull n ARG 75 N -2.52 0.00 0.23 0.44 1.74 -1.26 -4.50 116.66 110.79 3ull n ARG 75 Ca 0.08 0.10 0.18 0.00 -0.77 0.00 0.00 57.85 57.44 3ull n ARG 75 Cb 0.60 0.00 0.87 0.00 -1.02 0.00 0.00 32.46 32.90 3ull n ARG 75 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3ull h PRO 76 N 0.00 0.00 0.00 5.56 0.11 -1.97 -2.01 132.00 133.69 3ull h PRO 76 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ull h PRO 76 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ull h PRO 76 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 3ull n GLY 77 N -1.34 -0.85 0.26 -0.55 0.00 -1.26 -4.40 105.19 97.05 3ull n GLY 77 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3ull n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ull h LEU 78 N 0.00 0.00 -0.02 0.99 3.38 -1.86 -3.30 115.31 114.50 3ull h LEU 78 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ull h LEU 78 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3ull h LEU 78 CO 0.00 0.12 -0.19 -0.09 0.09 0.00 0.00 178.44 178.37 3ull h ARG 79 N 0.00 -0.29 -0.27 1.13 2.43 -1.57 0.11 114.38 115.92 3ull h ARG 79 Ca -0.00 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 3ull h ARG 79 Cb 0.35 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3ull h ARG 79 CO 0.02 -0.19 -0.43 -0.44 -1.51 0.00 0.00 179.97 177.42 3ull h ASP 80 N -0.30 0.72 0.10 -3.80 3.32 -1.77 -0.10 116.42 114.59 3ull h ASP 80 Ca 0.06 -0.33 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 3ull h ASP 80 Cb 0.38 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3ull h ASP 80 CO -0.19 1.05 -0.62 0.58 -1.72 0.00 0.00 179.24 178.34 3ull h VAL 81 N 0.54 1.34 -0.43 -1.35 2.07 -1.63 -1.39 116.25 115.40 3ull h VAL 81 Ca 0.04 -1.92 -0.09 0.00 0.82 0.00 0.00 66.70 65.54 3ull h VAL 81 Cb 0.96 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3ull h VAL 81 CO 0.09 0.59 -0.10 0.00 0.02 0.00 0.00 177.57 178.17 3ull h ALA 82 N 0.94 0.59 -0.51 1.67 0.00 -0.54 -2.84 119.26 118.56 3ull h ALA 82 Ca -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3ull h ALA 82 Cb 1.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3ull h ALA 82 CO 0.11 0.46 0.13 -0.92 0.00 0.00 0.00 179.25 179.04 3ull h TYR 83 N 0.64 0.86 0.21 0.00 3.20 -0.73 -2.26 116.97 118.90 3ull h TYR 83 Ca 0.11 -0.10 -0.33 0.00 3.14 0.00 0.00 58.73 61.54 3ull h TYR 83 Cb 0.63 -0.24 0.02 0.00 1.54 0.00 0.00 36.73 38.68 3ull h TYR 83 CO 0.05 0.76 -1.54 1.96 -1.64 0.00 0.00 178.16 177.75 3ull h GLN 84 N 0.71 0.45 0.00 1.82 7.50 -1.31 -3.41 115.11 120.88 3ull h GLN 84 Ca 0.16 -0.77 -0.19 0.00 0.50 0.00 0.00 58.65 58.35 3ull h GLN 84 Cb 0.33 0.29 -0.03 0.00 0.05 0.00 0.00 27.48 28.11 3ull h GLN 84 CO 0.00 1.36 -1.55 0.66 -1.50 0.00 0.00 178.83 177.80 3ull n TYR 85 N -3.64 0.87 -2.66 2.96 4.01 -1.07 -4.88 117.16 112.74 3ull n TYR 85 Ca -0.18 0.29 -0.43 0.00 -0.16 0.00 0.00 57.90 57.42 3ull n TYR 85 Cb 1.09 -1.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 3ull n TYR 85 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3ull s VAL 86 N -2.88 4.70 0.32 -0.72 1.01 -0.85 -5.04 120.40 116.93 3ull s VAL 86 Ca -0.04 2.02 0.08 0.00 0.00 0.00 0.00 61.98 64.04 3ull s VAL 86 Cb 0.09 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3ull s VAL 86 CO 0.82 -0.12 -0.07 -0.54 0.00 0.00 0.00 175.10 175.19 3ull s LYS 87 N 2.83 1.70 0.20 2.72 -0.14 -1.26 -4.36 119.74 121.44 3ull s LYS 87 Ca 0.46 -1.87 -0.31 0.00 -1.36 0.00 0.00 55.97 52.88 3ull s LYS 87 Cb -0.16 -1.43 -0.10 0.00 -1.68 0.00 0.00 37.83 34.46 3ull s LYS 87 CO 0.10 0.08 1.53 0.21 -0.76 0.00 0.00 175.35 176.51 3ull s LYS 88 N -3.68 4.22 0.00 1.68 2.20 -1.26 -1.74 119.74 121.17 3ull s LYS 88 Ca 0.31 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 3ull s LYS 88 Cb 0.03 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3ull s LYS 88 CO 0.14 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 3ull n GLY 89 N 3.11 0.57 3.72 5.54 0.00 -0.51 -4.99 105.19 112.64 3ull n GLY 89 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3ull n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ull s SER 90 N -2.58 6.97 0.09 1.61 0.01 -0.71 -4.59 113.70 114.50 3ull s SER 90 Ca 0.00 2.24 -0.30 0.00 1.31 0.00 0.00 55.95 59.20 3ull s SER 90 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 3ull s SER 90 CO 0.00 -0.51 1.01 -0.13 0.41 0.00 0.00 173.24 174.02 3ull s ARG 91 N 0.52 4.62 0.03 12.44 0.52 -1.26 -0.25 118.95 135.57 3ull s ARG 91 Ca 0.59 1.51 0.01 0.00 -0.52 0.00 0.00 55.73 57.32 3ull s ARG 91 Cb -0.34 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3ull s ARG 91 CO 0.33 0.08 -0.06 0.42 0.02 0.00 0.00 175.30 176.10 3ull s ILE 92 N 0.34 0.36 -0.03 1.52 -1.09 -0.87 -3.15 121.20 118.28 3ull s ILE 92 Ca 0.50 -0.84 0.06 0.00 -2.23 0.00 0.00 60.65 58.14 3ull s ILE 92 Cb -0.24 -0.43 -0.02 0.00 -1.58 0.00 0.00 42.46 40.19 3ull s ILE 92 CO 0.30 -0.32 -0.21 -0.47 -1.23 0.00 0.00 174.94 173.01 3ull s TYR 93 N -1.13 2.48 0.15 3.97 5.04 -0.77 -2.01 117.35 125.08 3ull s TYR 93 Ca -0.09 -0.33 -0.16 0.00 -2.44 0.00 0.00 57.07 54.05 3ull s TYR 93 Cb -0.08 -1.55 0.03 0.00 0.35 0.00 0.00 41.96 40.70 3ull s TYR 93 CO -0.00 0.05 0.42 -0.48 -1.34 0.00 0.00 175.55 174.20 3ull s LEU 94 N -0.65 0.36 -0.02 6.97 0.05 -0.45 -0.90 118.68 124.04 3ull s LEU 94 Ca 0.10 -0.42 0.03 0.00 0.05 0.00 0.00 54.13 53.89 3ull s LEU 94 Cb -0.10 1.86 0.00 0.00 -2.05 0.00 0.00 46.19 45.90 3ull s LEU 94 CO -0.00 -0.92 -0.09 -1.61 -0.55 0.00 0.00 176.35 173.18 3ull s GLU 95 N -3.84 0.93 0.00 1.48 2.02 -0.85 -1.89 118.70 116.55 3ull s GLU 95 Ca 0.06 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.73 3ull s GLU 95 Cb 0.01 -0.87 0.00 0.00 0.10 0.00 0.00 34.13 33.37 3ull s GLU 95 CO -0.08 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.75 3ull n GLY 96 N 3.18 2.70 3.11 -1.39 0.00 -0.80 -0.98 105.19 111.02 3ull n GLY 96 Ca -0.17 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 3ull n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ull s LYS 97 N 0.44 0.92 -0.27 1.61 -2.85 -1.14 -1.10 119.74 117.35 3ull s LYS 97 Ca 0.00 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 54.03 3ull s LYS 97 Cb 0.00 -0.90 0.01 0.00 -2.06 0.00 0.00 37.83 34.88 3ull s LYS 97 CO 0.00 0.23 1.15 0.42 0.10 0.00 0.00 175.35 177.25 3ull s ILE 98 N -0.69 4.42 -0.21 3.79 1.01 -1.26 -1.37 121.20 126.89 3ull s ILE 98 Ca 0.02 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.35 3ull s ILE 98 Cb -0.07 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.18 3ull s ILE 98 CO 0.01 -0.35 -0.13 -0.62 0.00 0.00 0.00 174.94 173.84 3ull s ASP 99 N 1.86 3.59 0.04 3.58 2.15 -0.24 -5.00 116.67 122.64 3ull s ASP 99 Ca 0.49 -0.95 -0.30 0.00 0.43 0.00 0.00 52.55 52.22 3ull s ASP 99 Cb -0.16 -1.39 -0.04 0.00 -0.30 0.00 0.00 42.92 41.03 3ull s ASP 99 CO 0.15 -0.11 1.03 -0.31 -0.17 0.00 0.00 175.17 175.75 3ull s TYR 100 N 1.29 3.64 -1.35 -5.34 2.02 -1.26 -0.53 117.35 115.81 3ull s TYR 100 Ca -0.01 1.63 -0.15 0.00 -0.37 0.00 0.00 57.07 58.16 3ull s TYR 100 Cb -0.16 -3.18 0.08 0.00 -0.40 0.00 0.00 41.96 38.29 3ull s TYR 100 CO -0.09 -0.27 1.90 0.41 -1.57 0.00 0.00 175.55 175.94 3ull n GLY 101 N 2.81 3.52 3.55 0.71 0.00 -0.92 -4.84 105.19 110.03 3ull n GLY 101 Ca 0.06 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 3ull n GLY 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ull s GLU 102 N 3.27 3.08 -0.06 1.61 1.03 -1.26 -2.25 118.70 124.12 3ull s GLU 102 Ca 0.49 -0.21 0.03 0.00 0.03 0.00 0.00 54.97 55.31 3ull s GLU 102 Cb 0.08 -4.51 -0.02 0.00 -0.80 0.00 0.00 34.13 28.87 3ull s GLU 102 CO 0.00 -2.39 -0.14 1.52 -1.33 0.00 0.00 175.26 172.92 3ull s TYR 103 N 6.70 2.72 0.65 4.83 1.13 -1.12 -4.96 117.35 127.30 3ull s TYR 103 Ca 0.47 -0.21 -0.11 0.00 -1.41 0.00 0.00 57.07 55.81 3ull s TYR 103 Cb -0.07 -1.65 -0.02 0.00 -1.10 0.00 0.00 41.96 39.11 3ull s TYR 103 CO 0.11 0.15 1.05 0.00 -2.51 0.00 0.00 175.55 174.34 3ull s MET 104 N -0.61 3.29 0.00 -3.49 0.23 -1.26 -2.32 119.30 115.13 3ull s MET 104 Ca 0.09 0.61 0.00 0.00 -1.03 0.00 0.00 55.69 55.36 3ull s MET 104 Cb -0.11 -2.07 0.00 0.00 -1.53 0.00 0.00 34.83 31.12 3ull s MET 104 CO 0.01 -0.75 0.00 -0.40 -2.03 0.00 0.00 175.02 171.85 3ull n ASP 105 N -2.84 0.00 -4.03 -1.18 5.75 -1.12 -4.94 116.55 108.20 3ull n ASP 105 Ca 0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.51 3ull n ASP 105 Cb 0.55 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.52 3ull n ASP 105 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ull s LYS 106 N 0.69 2.15 0.00 0.11 3.01 -1.26 -4.86 119.74 119.58 3ull s LYS 106 Ca 0.00 -2.43 0.00 0.00 -1.01 0.00 0.00 55.97 52.53 3ull s LYS 106 Cb 0.00 -3.49 0.00 0.00 -1.01 0.00 0.00 37.83 33.33 3ull s LYS 106 CO 0.00 -1.11 0.00 -1.71 0.51 0.00 0.00 175.35 173.04 3ull n ASN 107 N 3.51 0.00 -3.08 2.83 4.05 -1.26 -4.91 115.26 116.40 3ull n ASN 107 Ca 0.05 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.08 3ull n ASN 107 Cb 0.36 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.37 3ull n ASN 107 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 3ull n ASN 108 N 2.31 0.00 -3.85 1.20 0.23 -1.26 -5.00 115.26 108.89 3ull n ASN 108 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 3ull n ASN 108 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 3ull n ASN 108 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3ull s VAL 109 N 0.00 0.10 0.08 3.53 0.11 -1.26 -2.78 120.40 120.19 3ull s VAL 109 Ca 0.00 -0.87 -0.09 0.00 -2.93 0.00 0.00 61.98 58.10 3ull s VAL 109 Cb 0.00 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 34.02 3ull s VAL 109 CO 0.00 -0.48 0.19 -0.60 -3.33 0.00 0.00 175.10 170.88 3ull s ARG 110 N -2.35 0.83 0.38 1.54 6.06 -0.98 -5.00 118.95 119.43 3ull s ARG 110 Ca -0.07 -0.94 -0.21 0.00 -2.50 0.00 0.00 55.73 52.02 3ull s ARG 110 Cb -0.02 0.34 -0.10 0.00 0.06 0.00 0.00 34.95 35.22 3ull s ARG 110 CO -0.03 -0.26 0.90 1.03 -2.50 0.00 0.00 175.30 174.45 3ull s ARG 111 N -3.77 4.26 -0.42 5.12 0.52 -1.26 -2.77 118.95 120.63 3ull s ARG 111 Ca 0.04 1.07 0.09 0.00 -0.52 0.00 0.00 55.73 56.41 3ull s ARG 111 Cb 0.04 -2.36 0.33 0.00 0.52 0.00 0.00 34.95 33.48 3ull s ARG 111 CO -0.11 0.08 0.90 0.94 0.02 0.00 0.00 175.30 177.13 3ull n GLN 112 N -0.32 0.97 -2.22 3.54 7.27 -0.96 -4.86 117.38 120.81 3ull n GLN 112 Ca 0.05 -2.66 -0.42 0.00 0.07 0.00 0.00 57.00 54.04 3ull n GLN 112 Cb 0.53 -1.38 -0.03 0.00 2.41 0.00 0.00 30.24 31.77 3ull n GLN 112 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ull s ALA 113 N -1.06 3.54 0.19 1.69 0.00 -1.26 -2.16 121.76 122.71 3ull s ALA 113 Ca 0.31 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.45 3ull s ALA 113 Cb 0.31 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3ull s ALA 113 CO -0.07 -0.56 -0.21 0.95 0.00 0.00 0.00 175.76 175.87 3ull s THR 114 N 0.86 2.12 -0.30 0.00 -4.23 0.31 -4.50 115.64 109.89 3ull s THR 114 Ca 0.62 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 3ull s THR 114 Cb -0.36 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 3ull s THR 114 CO 0.32 -0.26 0.35 -0.89 -0.54 0.00 0.00 174.62 173.61 3ull s THR 115 N -1.99 5.18 -0.49 3.99 2.01 -0.81 -1.08 115.64 122.45 3ull s THR 115 Ca 0.20 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 3ull s THR 115 Cb -0.06 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.76 3ull s THR 115 CO 0.09 0.07 0.71 -0.63 -0.69 0.00 0.00 174.62 174.16 3ull s ILE 116 N 2.03 4.74 0.28 1.82 1.01 -0.47 -1.81 121.20 128.79 3ull s ILE 116 Ca 0.13 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 3ull s ILE 116 Cb -0.16 -4.32 -0.11 0.00 0.01 0.00 0.00 42.46 37.88 3ull s ILE 116 CO 0.11 -0.80 1.52 -0.63 0.00 0.00 0.00 174.94 175.14 3ull s ILE 117 N 3.01 2.34 -0.22 2.92 1.01 -0.63 -2.88 121.20 126.74 3ull s ILE 117 Ca 0.22 0.29 0.08 0.00 0.00 0.00 0.00 60.65 61.23 3ull s ILE 117 Cb -0.16 -3.18 -0.11 0.00 0.01 0.00 0.00 42.46 39.02 3ull s ILE 117 CO 0.16 0.05 0.28 0.00 0.00 0.00 0.00 174.94 175.43 3ull n ALA 118 N 2.20 2.74 -3.64 9.38 0.00 -0.15 -4.56 120.51 126.47 3ull n ALA 118 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 3ull n ALA 118 Cb 0.39 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 3ull n ALA 118 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ull s ASP 119 N -2.32 -0.32 -0.02 0.00 2.15 -1.14 -4.98 116.67 110.03 3ull s ASP 119 Ca 0.00 0.56 0.04 0.00 0.43 0.00 0.00 52.55 53.58 3ull s ASP 119 Cb 0.06 0.84 -0.00 0.00 -0.30 0.00 0.00 42.92 43.51 3ull s ASP 119 CO 0.35 -0.09 -0.12 0.20 -0.17 0.00 0.00 175.17 175.33 3ull s ASN 120 N 0.66 1.56 -0.16 -0.34 0.02 -1.26 -2.00 114.94 113.42 3ull s ASN 120 Ca -0.02 -0.25 -0.02 0.00 -1.02 0.00 0.00 52.86 51.56 3ull s ASN 120 Cb -0.04 -0.33 -0.01 0.00 0.02 0.00 0.00 41.25 40.88 3ull s ASN 120 CO -0.12 0.12 -0.09 -0.63 0.02 0.00 0.00 177.10 176.41 3ull s ILE 121 N -0.03 3.30 -0.07 0.60 1.01 -0.08 -4.96 121.20 120.97 3ull s ILE 121 Ca -0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 59.89 3ull s ILE 121 Cb -0.08 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 3ull s ILE 121 CO 0.00 0.49 0.57 -0.63 0.00 0.00 0.00 174.94 175.37 3ull s ILE 122 N 0.71 5.06 -1.25 2.92 -1.09 -1.26 -1.85 121.20 124.44 3ull s ILE 122 Ca -0.04 1.17 -0.09 0.00 -2.23 0.00 0.00 60.65 59.46 3ull s ILE 122 Cb -0.15 -3.91 0.18 0.00 -1.58 0.00 0.00 42.46 37.00 3ull s ILE 122 CO 0.02 0.34 1.78 0.49 -1.23 0.00 0.00 174.94 176.34 3ull n PHE 123 N 3.37 3.19 -1.90 3.97 3.72 -1.19 -4.99 117.46 123.63 3ull n PHE 123 Ca -0.06 -2.86 0.00 0.00 -0.05 0.00 0.00 57.45 54.48 3ull n PHE 123 Cb 0.51 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.13 3ull n PHE 123 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18