#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3s s GLN 13 N 0.00 3.85 -0.01 -1.46 0.74 -1.26 -4.33 119.66 117.19 1i3s s GLN 13 Ca 0.00 1.34 -0.17 0.00 0.05 0.00 0.00 55.36 56.57 1i3s s GLN 13 Cb 0.00 -2.11 -0.06 0.00 1.10 0.00 0.00 33.01 31.95 1i3s s GLN 13 CO 0.00 -0.39 0.49 0.99 -0.55 0.00 0.00 175.29 175.83 1i3s s THR 14 N -2.00 4.97 -0.11 -0.34 2.01 0.21 -4.39 115.64 115.99 1i3s s THR 14 Ca 0.67 1.01 0.03 0.00 0.31 0.00 0.00 61.69 63.72 1i3s s THR 14 Cb -0.16 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.55 1i3s s THR 14 CO 0.19 0.49 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.75 1i3s s ILE 15 N -0.58 2.07 -0.05 1.82 1.09 0.06 -1.52 121.20 124.08 1i3s s ILE 15 Ca 0.26 -1.00 0.05 0.00 -1.10 0.00 0.00 60.65 58.86 1i3s s ILE 15 Cb -0.17 -1.80 -0.01 0.00 -1.06 0.00 0.00 42.46 39.42 1i3s s ILE 15 CO 0.15 0.56 -0.19 -0.63 -0.10 0.00 0.00 174.94 174.72 1i3s s ILE 16 N 0.51 1.60 -0.07 2.92 1.01 -0.87 -0.62 121.20 125.68 1i3s s ILE 16 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1i3s s ILE 16 Cb -0.17 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1i3s s ILE 16 CO 0.05 0.46 -0.06 -0.60 0.00 0.00 0.00 174.94 174.79 1i3s s ARG 17 N -0.01 1.13 -0.20 2.79 3.52 -0.09 -0.72 118.95 125.37 1i3s s ARG 17 Ca -0.04 -0.15 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 1i3s s ARG 17 Cb -0.12 -1.19 0.06 0.00 -1.56 0.00 0.00 34.95 32.14 1i3s s ARG 17 CO 0.03 -0.17 0.03 0.34 -0.81 0.00 0.00 175.30 174.71 1i3s s ASP 18 N 1.36 3.08 0.11 -2.12 3.68 0.22 0.14 116.67 123.14 1i3s s ASP 18 Ca -0.03 -0.90 0.09 0.00 2.13 0.00 0.00 52.55 53.84 1i3s s ASP 18 Cb -0.14 -0.69 -0.04 0.00 -1.45 0.00 0.00 42.92 40.61 1i3s s ASP 18 CO -0.03 -0.30 -0.22 0.00 0.13 0.00 0.00 175.17 174.75 1i3s s GLN 20 N -1.93 4.35 0.00 0.00 2.00 -1.26 -0.19 119.66 122.64 1i3s s GLN 20 Ca 0.08 1.35 0.22 0.00 -2.00 0.00 0.00 55.36 55.00 1i3s s GLN 20 Cb -0.10 -3.58 -0.14 0.00 0.80 0.00 0.00 33.01 29.99 1i3s s GLN 20 CO 0.05 -0.43 0.97 1.33 -0.50 0.00 0.00 175.29 176.71 1i3s n VAL 21 N 4.84 0.00 0.00 1.34 0.24 0.11 -4.93 118.33 119.93 1i3s n VAL 21 Ca 0.10 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1i3s n VAL 21 Cb 0.48 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 1i3s n VAL 21 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1i3s n ASP 22 N -0.89 0.00 -0.35 -1.34 3.85 -1.04 -4.96 116.55 111.82 1i3s n ASP 22 Ca 0.06 0.00 0.30 0.00 -0.71 0.00 0.00 54.79 54.44 1i3s n ASP 22 Cb 0.39 0.00 0.56 0.00 -1.35 0.00 0.00 41.12 40.71 1i3s n ASP 22 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1i3s h LYS 23 N 0.00 0.14 -0.00 0.11 2.10 -2.01 -2.75 116.57 114.16 1i3s h LYS 23 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1i3s h LYS 23 Cb 0.00 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 1i3s h LYS 23 CO 0.00 0.10 -0.07 1.04 -2.00 0.00 0.00 179.45 178.52 1i3s n GLN 24 N -5.05 3.73 -4.71 0.07 1.13 -1.26 -5.05 117.38 106.25 1i3s n GLN 24 Ca 0.35 -0.24 -0.30 0.00 -1.94 0.00 0.00 57.00 54.87 1i3s n GLN 24 Cb 1.20 -0.77 -0.14 0.00 0.11 0.00 0.00 30.24 30.64 1i3s n GLN 24 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1i3s s THR 25 N -0.85 2.41 0.12 5.09 2.01 -1.04 -4.00 115.64 119.38 1i3s s THR 25 Ca 0.02 -1.40 0.06 0.00 0.31 0.00 0.00 61.69 60.68 1i3s s THR 25 Cb 0.02 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1i3s s THR 25 CO 0.07 0.30 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.03 1i3s s ARG 26 N -1.49 1.02 -0.15 4.92 0.52 0.72 0.05 118.95 124.54 1i3s s ARG 26 Ca 0.13 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 1i3s s ARG 26 Cb -0.10 -0.88 0.02 0.00 0.52 0.00 0.00 34.95 34.51 1i3s s ARG 26 CO 0.04 0.17 -0.15 -2.00 0.02 0.00 0.00 175.30 173.38 1i3s s GLU 27 N -2.70 2.37 -0.31 3.54 2.12 0.74 -0.66 118.70 123.79 1i3s s GLU 27 Ca 0.09 -0.59 -0.12 0.00 0.36 0.00 0.00 54.97 54.72 1i3s s GLU 27 Cb -0.05 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 32.17 1i3s s GLU 27 CO 0.03 -0.23 0.21 -1.17 -0.54 0.00 0.00 175.26 173.56 1i3s s LEU 28 N 1.44 4.24 -0.24 2.70 2.96 0.20 -2.26 118.68 127.73 1i3s s LEU 28 Ca 0.04 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.59 1i3s s LEU 28 Cb -0.13 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1i3s s LEU 28 CO -0.11 -0.15 0.22 -0.69 -1.32 0.00 0.00 176.35 174.31 1i3s s VAL 29 N 1.73 5.31 -0.24 1.68 1.01 0.37 -0.08 120.40 130.18 1i3s s VAL 29 Ca 0.06 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1i3s s VAL 29 Cb -0.17 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1i3s s VAL 29 CO 0.10 0.30 -0.08 -0.47 0.00 0.00 0.00 175.10 174.95 1i3s s TYR 30 N 1.27 2.80 -0.27 5.22 5.04 -0.45 -0.92 117.35 130.05 1i3s s TYR 30 Ca 0.10 -2.01 -0.02 0.00 -2.44 0.00 0.00 57.07 52.70 1i3s s TYR 30 Cb -0.14 -1.75 0.03 0.00 0.35 0.00 0.00 41.96 40.45 1i3s s TYR 30 CO 0.06 -0.82 -0.03 0.42 -1.34 0.00 0.00 175.55 173.84 1i3s s ILE 31 N 1.26 3.03 0.30 3.14 1.01 0.21 -3.32 121.20 126.84 1i3s s ILE 31 Ca -0.07 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 59.57 1i3s s ILE 31 Cb -0.19 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 1i3s s ILE 31 CO -0.06 0.10 0.30 0.21 0.00 0.00 0.00 174.94 175.50 1i3s s ASN 32 N 1.33 5.55 0.09 3.58 2.47 -1.26 -0.77 114.94 125.93 1i3s s ASN 32 Ca -0.01 -0.33 -0.19 0.00 0.42 0.00 0.00 52.86 52.75 1i3s s ASN 32 Cb -0.18 -1.21 -0.08 0.00 -1.45 0.00 0.00 41.25 38.34 1i3s s ASN 32 CO -0.03 -0.26 1.56 0.07 -3.72 0.00 0.00 177.10 174.73 1i3s h LYS 33 N 1.25 0.40 0.08 0.43 2.10 -1.77 -3.25 116.57 115.82 1i3s h LYS 33 Ca -0.47 -0.11 0.02 0.00 -2.00 0.00 0.00 60.65 58.10 1i3s h LYS 33 Cb 1.25 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 32.48 1i3s h LYS 33 CO 0.58 0.53 -0.46 0.82 -2.00 0.00 0.00 179.45 178.92 1i3s h ILE 34 N 0.21 0.10 -0.60 0.07 2.04 -1.96 -2.30 117.51 115.07 1i3s h ILE 34 Ca 0.07 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.11 1i3s h ILE 34 Cb 0.32 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1i3s h ILE 34 CO 0.00 0.00 1.09 0.23 0.00 0.00 0.00 178.15 179.47 1i3s n MET 35 N -5.47 0.02 -1.76 2.37 2.81 -1.22 -0.17 117.12 113.69 1i3s n MET 35 Ca -0.07 0.95 -0.34 0.00 -1.81 0.00 0.00 57.70 56.43 1i3s n MET 35 Cb 0.39 -2.44 0.05 0.00 -0.71 0.00 0.00 33.22 30.51 1i3s n MET 35 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1i3s n ASN 36 N -2.86 6.93 -3.99 7.83 4.13 -0.86 -4.64 115.26 121.79 1i3s n ASN 36 Ca 0.13 -3.79 -0.11 0.00 1.68 0.00 0.00 54.58 52.49 1i3s n ASN 36 Cb 1.27 -0.86 -0.12 0.00 -1.54 0.00 0.00 39.78 38.53 1i3s n ASN 36 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1i3s s THR 37 N -4.97 0.26 -1.58 3.41 2.01 0.75 -5.05 115.64 110.47 1i3s s THR 37 Ca 0.57 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 1i3s s THR 37 Cb 0.46 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 72.56 1i3s s THR 37 CO -0.16 -0.37 2.84 1.15 -0.69 0.00 0.00 174.62 177.39 1i3s n MET 38 N 1.81 3.70 -0.30 4.92 0.00 -1.26 -4.43 117.12 121.55 1i3s n MET 38 Ca -0.22 -2.36 -0.12 0.00 0.00 0.00 0.00 57.70 55.00 1i3s n MET 38 Cb 0.56 -2.84 -0.02 0.00 0.00 0.00 0.00 33.22 30.92 1i3s n MET 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1i3s n LEU 39 N 3.68 0.04 0.03 3.17 4.77 -1.26 -4.87 117.00 122.56 1i3s n LEU 39 Ca 0.74 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 57.07 1i3s n LEU 39 Cb 0.25 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1i3s n LEU 39 CO 0.85 -0.34 0.11 0.41 -1.33 0.00 0.00 177.39 177.09 1i3s n THR 40 N 0.38 0.21 -3.87 -5.08 -1.04 -1.26 -4.42 114.28 99.19 1i3s n THR 40 Ca 0.04 -0.24 -0.04 0.00 -2.04 0.00 0.00 64.05 61.77 1i3s n THR 40 Cb 0.01 0.13 0.02 0.00 -1.82 0.00 0.00 70.33 68.67 1i3s n THR 40 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1i3s s LYS 41 N -3.18 1.53 0.26 -2.82 -2.85 -1.26 -4.95 119.74 106.48 1i3s s LYS 41 Ca 0.05 -0.99 -0.30 0.00 -1.00 0.00 0.00 55.97 53.73 1i3s s LYS 41 Cb 0.14 0.42 -0.11 0.00 -2.06 0.00 0.00 37.83 36.23 1i3s s LYS 41 CO 0.78 -0.72 1.51 -2.14 0.10 0.00 0.00 175.35 174.88 1i3s s PRO 42 N -2.15 4.20 -0.09 1.78 0.02 -1.26 -4.51 135.00 133.00 1i3s s PRO 42 Ca 0.21 2.42 0.02 0.00 0.02 0.00 0.00 61.00 63.67 1i3s s PRO 42 Cb -0.03 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 1i3s s PRO 42 CO 0.07 -0.52 -0.16 0.08 -0.33 0.00 0.00 177.00 176.14 1i3s s VAL 43 N 0.06 2.86 -0.16 3.83 1.01 0.62 -4.94 120.40 123.69 1i3s s VAL 43 Ca 0.62 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1i3s s VAL 43 Cb -0.44 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1i3s s VAL 43 CO 0.45 0.56 0.04 -0.22 0.00 0.00 0.00 175.10 175.93 1i3s s LEU 44 N -0.12 3.74 -0.02 3.92 0.20 -1.26 0.42 118.68 125.56 1i3s s LEU 44 Ca -0.02 0.09 0.05 0.00 0.69 0.00 0.00 54.13 54.93 1i3s s LEU 44 Cb -0.14 -1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 43.69 1i3s s LEU 44 CO 0.04 0.22 -0.15 -0.04 -0.29 0.00 0.00 176.35 176.13 1i3s s MET 45 N 0.06 1.31 -0.03 1.98 -1.94 0.17 -5.00 119.30 115.84 1i3s s MET 45 Ca 0.04 -0.55 -0.03 0.00 -1.71 0.00 0.00 55.69 53.45 1i3s s MET 45 Cb -0.12 -1.24 0.01 0.00 2.01 0.00 0.00 34.83 35.48 1i3s s MET 45 CO 0.01 0.31 0.08 -1.64 -0.01 0.00 0.00 175.02 173.77 1i3s s MET 46 N -0.27 0.15 0.27 2.03 -1.94 -1.26 -0.36 119.30 117.92 1i3s s MET 46 Ca 0.04 0.02 -0.20 0.00 -1.71 0.00 0.00 55.69 53.85 1i3s s MET 46 Cb -0.07 0.07 0.02 0.00 2.01 0.00 0.00 34.83 36.86 1i3s s MET 46 CO -0.00 -0.02 0.68 -0.59 -0.01 0.00 0.00 175.02 175.07 1i3s s PHE 47 N -0.20 -0.10 0.25 -0.03 -0.12 -0.71 -4.96 117.98 112.13 1i3s s PHE 47 Ca -0.03 -0.35 -0.05 0.00 -0.05 0.00 0.00 56.93 56.46 1i3s s PHE 47 Cb -0.02 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 1i3s s PHE 47 CO 0.00 -1.19 0.51 -0.80 -0.05 0.00 0.00 175.22 173.69 1i3s s ASN 48 N -2.94 6.46 -0.11 1.98 0.01 -1.26 -0.05 114.94 119.04 1i3s s ASN 48 Ca 0.13 0.67 -0.12 0.00 -0.71 0.00 0.00 52.86 52.83 1i3s s ASN 48 Cb -0.05 -2.12 0.03 0.00 0.41 0.00 0.00 41.25 39.52 1i3s s ASN 48 CO 0.07 -0.13 0.32 -0.51 -1.51 0.00 0.00 177.10 175.34 1i3s s ILE 49 N -1.98 0.01 -1.99 0.60 2.07 -1.11 -4.56 121.20 114.24 1i3s s ILE 49 Ca 0.43 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 1i3s s ILE 49 Cb -0.11 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 42.00 1i3s s ILE 49 CO 0.28 -0.04 0.85 -1.54 -1.91 0.00 0.00 174.94 172.58 1i3s n SER 50 N 2.65 0.01 -3.60 4.50 3.41 -1.26 -3.09 113.62 116.23 1i3s n SER 50 Ca -0.14 -1.72 -0.04 0.00 -0.26 0.00 0.00 58.87 56.71 1i3s n SER 50 Cb 0.57 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1i3s n SER 50 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1i3s s GLY 51 N -1.13 -0.36 0.40 5.00 0.00 -1.26 0.52 107.32 110.49 1i3s s GLY 51 Ca 0.00 1.01 -0.26 0.00 0.00 0.00 0.00 44.72 45.47 1i3s s GLY 51 CO 0.00 0.31 1.24 2.56 0.00 0.00 0.00 173.10 177.20 1i3s s PRO 52 N -2.76 4.02 0.06 2.90 0.04 -1.24 -4.59 135.00 133.43 1i3s s PRO 52 Ca 0.10 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1i3s s PRO 52 Cb 0.00 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 1i3s s PRO 52 CO -0.05 -0.40 0.99 0.42 0.04 0.00 0.00 177.00 178.00 1i3s s ILE 53 N -1.33 4.60 -1.01 0.56 1.01 -1.26 -1.96 121.20 121.81 1i3s s ILE 53 Ca 0.57 2.01 0.12 0.00 0.00 0.00 0.00 60.65 63.34 1i3s s ILE 53 Cb -0.35 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 37.82 1i3s s ILE 53 CO 0.44 0.24 0.67 -2.11 0.00 0.00 0.00 174.94 174.18 1i3s n ARG 54 N 3.30 2.14 -3.60 2.79 1.85 0.30 -4.97 116.66 118.48 1i3s n ARG 54 Ca 0.04 -0.58 -0.10 0.00 -1.00 0.00 0.00 57.85 56.22 1i3s n ARG 54 Cb 0.50 -1.12 -0.06 0.00 -1.05 0.00 0.00 32.46 30.73 1i3s n ARG 54 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1i3s s SER 55 N -1.59 -0.38 -0.03 2.89 0.15 -0.99 -4.99 113.70 108.78 1i3s s SER 55 Ca 0.09 0.50 0.02 0.00 0.70 0.00 0.00 55.95 57.27 1i3s s SER 55 Cb 0.09 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1i3s s SER 55 CO 0.32 -0.28 -0.09 -0.69 1.20 0.00 0.00 173.24 173.70 1i3s s VAL 56 N -0.75 0.79 0.01 4.45 1.01 -1.26 -0.62 120.40 124.03 1i3s s VAL 56 Ca -0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1i3s s VAL 56 Cb -0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1i3s s VAL 56 CO -0.01 0.25 0.13 -0.89 0.00 0.00 0.00 175.10 174.58 1i3s s THR 57 N 0.26 0.10 0.20 3.92 2.01 -0.60 -4.98 115.64 116.54 1i3s s THR 57 Ca -0.04 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 1i3s s THR 57 Cb -0.09 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1i3s s THR 57 CO 0.01 -0.44 0.44 -0.13 -0.69 0.00 0.00 174.62 173.81 1i3s s ARG 58 N -1.75 3.62 0.09 4.92 0.52 -1.26 0.13 118.95 125.23 1i3s s ARG 58 Ca -0.12 -0.07 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1i3s s ARG 58 Cb -0.06 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 1i3s s ARG 58 CO -0.00 0.37 -0.00 0.15 0.02 0.00 0.00 175.30 175.84 1i3s s LYS 59 N -3.03 0.79 0.34 3.54 1.02 0.12 -4.90 119.74 117.62 1i3s s LYS 59 Ca 0.42 -1.33 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 1i3s s LYS 59 Cb -0.11 0.13 -0.11 0.00 -0.52 0.00 0.00 37.83 37.21 1i3s s LYS 59 CO 0.26 -0.15 1.43 1.21 -0.92 0.00 0.00 175.35 177.18 1i3s s ASN 60 N -3.00 6.53 0.62 2.83 3.84 -1.26 -3.47 114.94 121.02 1i3s s ASN 60 Ca 0.15 2.87 0.35 0.00 0.21 0.00 0.00 52.86 56.45 1i3s s ASN 60 Cb 0.07 -2.65 1.93 0.00 -0.55 0.00 0.00 41.25 40.04 1i3s s ASN 60 CO -0.04 -0.74 2.08 0.78 -2.79 0.00 0.00 177.10 176.39 1i3s h ASN 61 N 3.52 0.00 0.22 -4.21 2.35 -0.88 -1.06 115.58 115.53 1i3s h ASN 61 Ca -0.49 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1i3s h ASN 61 Cb 1.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 1i3s h ASN 61 CO 0.67 0.00 -0.02 -0.55 -1.65 0.00 0.00 177.43 175.88 1i3s h ASN 62 N 0.00 0.00 0.10 5.81 7.08 -1.90 -1.86 115.58 124.80 1i3s h ASN 62 Ca 0.00 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.15 1i3s h ASN 62 Cb 0.29 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.52 1i3s h ASN 62 CO 0.00 0.02 -0.23 0.25 -2.08 0.00 0.00 177.43 175.39 1i3s h LEU 63 N 0.00 0.23 0.14 6.14 5.85 -1.56 -2.77 115.31 123.35 1i3s h LEU 63 Ca -0.00 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1i3s h LEU 63 Cb 0.14 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1i3s h LEU 63 CO 0.00 0.47 -0.47 -0.09 -0.34 0.00 0.00 178.44 178.01 1i3s h ARG 64 N 0.22 -0.69 -0.12 1.25 2.43 -1.53 0.25 114.38 116.19 1i3s h ARG 64 Ca 0.04 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1i3s h ARG 64 Cb 0.53 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1i3s h ARG 64 CO 0.04 -0.46 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.25 1i3s h ASP 65 N -0.72 0.25 -0.52 -3.80 3.45 -1.72 0.13 116.42 113.49 1i3s h ASP 65 Ca 0.01 -0.09 0.04 0.00 0.43 0.00 0.00 57.03 57.42 1i3s h ASP 65 Cb 0.73 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.39 1i3s h ASP 65 CO -0.25 0.58 0.27 0.03 -1.57 0.00 0.00 179.24 178.30 1i3s h ARG 66 N 0.21 0.52 0.23 3.56 3.08 -1.09 -0.85 114.38 120.03 1i3s h ARG 66 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1i3s h ARG 66 Cb 0.72 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1i3s h ARG 66 CO 0.05 0.34 -0.11 0.82 -1.07 0.00 0.00 179.97 180.01 1i3s h ILE 67 N 0.54 0.60 -0.96 2.04 2.04 -0.17 -3.32 117.51 118.27 1i3s h ILE 67 Ca 0.22 -0.97 0.25 0.00 1.00 0.00 0.00 64.86 65.36 1i3s h ILE 67 Cb 0.11 1.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.06 1i3s h ILE 67 CO -0.14 0.15 0.49 0.50 0.00 0.00 0.00 178.15 179.15 1i3s h LYS 68 N -0.94 0.43 -0.63 2.37 3.64 -0.65 -1.17 116.57 119.62 1i3s h LYS 68 Ca -0.03 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1i3s h LYS 68 Cb 0.48 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1i3s h LYS 68 CO 0.05 0.29 0.42 0.66 -2.27 0.00 0.00 179.45 178.60 1i3s h SER 69 N 0.45 0.43 0.20 4.20 4.64 -1.25 -2.56 113.55 119.65 1i3s h SER 69 Ca 0.62 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.94 1i3s h SER 69 Cb 1.24 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1i3s h SER 69 CO -0.53 0.26 -0.10 0.11 -0.87 0.00 0.00 176.83 175.71 1i3s h LYS 70 N 0.48 -0.26 -0.14 4.77 6.56 -1.35 0.29 116.57 126.93 1i3s h LYS 70 Ca 0.29 0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.78 1i3s h LYS 70 Cb 0.50 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 1i3s h LYS 70 CO -0.09 -0.10 -0.45 -1.35 -2.06 0.00 0.00 179.45 175.40 1i3s h PRO 71 N -0.36 0.35 -0.46 3.15 0.11 -1.67 -2.59 132.00 130.53 1i3s h PRO 71 Ca -0.03 -0.18 0.01 0.00 0.11 0.00 0.00 66.00 65.92 1i3s h PRO 71 Cb 0.28 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1i3s h PRO 71 CO 0.05 0.73 0.28 -0.44 -0.21 0.00 0.00 178.00 178.41 1i3s h ASP 72 N 0.28 0.47 -0.77 -2.05 3.32 -1.22 -0.94 116.42 115.51 1i3s h ASP 72 Ca 0.02 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1i3s h ASP 72 Cb 0.90 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1i3s h ASP 72 CO 0.07 0.34 0.28 -0.33 -1.72 0.00 0.00 179.24 177.88 1i3s h GLU 73 N 0.57 1.18 -0.60 3.56 5.08 -0.37 -0.43 114.58 123.57 1i3s h GLU 73 Ca 0.18 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1i3s h GLU 73 Cb -0.02 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1i3s h GLU 73 CO -0.07 0.97 0.13 1.96 -1.00 0.00 0.00 179.01 181.00 1i3s h GLN 74 N 1.14 0.95 0.00 2.33 1.08 -1.00 -2.97 115.11 116.64 1i3s h GLN 74 Ca 0.25 -0.22 -0.18 0.00 -1.45 0.00 0.00 58.65 57.05 1i3s h GLN 74 Cb 0.26 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1i3s h GLN 74 CO -0.02 0.86 -0.85 0.74 -0.95 0.00 0.00 178.83 178.62 1i3s h PHE 75 N 0.91 0.02 -0.02 2.96 0.04 -0.86 -3.10 116.94 116.89 1i3s h PHE 75 Ca 0.19 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 1i3s h PHE 75 Cb 0.36 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 1i3s h PHE 75 CO 0.02 0.86 -0.06 -0.44 -0.60 0.00 0.00 178.31 178.09 1i3s h ASP 76 N 0.01 0.02 0.19 2.17 3.32 -0.95 -1.50 116.42 119.68 1i3s h ASP 76 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1i3s h ASP 76 Cb 1.50 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.04 1i3s h ASP 76 CO 0.11 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.72 1i3s n GLN 77 N -4.45 0.12 -0.00 3.56 6.02 -1.13 -1.43 117.38 120.06 1i3s n GLN 77 Ca -0.03 0.21 0.07 0.00 -0.01 0.00 0.00 57.00 57.25 1i3s n GLN 77 Cb 0.15 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 1i3s n GLN 77 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1i3s n LEU 78 N -1.31 0.46 -4.98 1.08 4.77 -0.57 -5.03 117.00 111.43 1i3s n LEU 78 Ca 0.04 -0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 55.50 1i3s n LEU 78 Cb 0.08 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1i3s n LEU 78 CO 0.07 0.11 0.22 -1.61 -1.33 0.00 0.00 177.39 174.86 1i3s s GLU 79 N -2.68 2.92 -0.41 3.23 2.02 -0.51 -4.93 118.70 118.34 1i3s s GLU 79 Ca 0.02 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.25 1i3s s GLU 79 Cb 0.11 -2.64 0.20 0.00 0.10 0.00 0.00 34.13 31.89 1i3s s GLU 79 CO 0.64 -0.28 0.42 0.54 0.02 0.00 0.00 175.26 176.60 1i3s n ARG 80 N -1.99 0.36 -3.21 1.61 1.74 0.51 -4.97 116.66 110.72 1i3s n ARG 80 Ca 0.03 -3.10 -0.42 0.00 -0.77 0.00 0.00 57.85 53.60 1i3s n ARG 80 Cb 0.58 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 30.43 1i3s n ARG 80 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1i3s s ASP 81 N -0.30 6.30 -0.19 0.55 -1.08 -1.26 -2.55 116.67 118.14 1i3s s ASP 81 Ca 0.33 -0.22 0.06 0.00 -0.52 0.00 0.00 52.55 52.21 1i3s s ASP 81 Cb 0.08 -2.28 0.45 0.00 -1.46 0.00 0.00 42.92 39.71 1i3s s ASP 81 CO -0.17 -0.59 1.36 -1.22 0.52 0.00 0.00 175.17 175.07 1i3s n TYR 82 N 5.89 1.46 0.01 -5.34 4.02 -1.26 -4.34 117.16 117.60 1i3s n TYR 82 Ca -0.04 -0.77 -0.13 0.00 -0.01 0.00 0.00 57.90 56.95 1i3s n TYR 82 Cb 0.48 -0.47 -0.09 0.00 -0.02 0.00 0.00 39.34 39.24 1i3s n TYR 82 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1i3s h SER 83 N 1.64 -0.05 0.00 7.72 0.02 -2.05 -3.04 113.55 117.79 1i3s h SER 83 Ca 0.15 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1i3s h SER 83 Cb 1.66 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1i3s h SER 83 CO 0.43 0.43 0.01 0.47 -1.14 0.00 0.00 176.83 177.03 1i3s n ASP 84 N -4.89 0.00 -0.02 3.07 8.00 -1.26 -5.34 116.55 116.10 1i3s n ASP 84 Ca -0.08 0.15 0.02 0.00 0.71 0.00 0.00 54.79 55.59 1i3s n ASP 84 Cb 0.25 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 1i3s n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i3s n GLN 85 N -1.13 4.81 -0.75 -1.24 6.02 -1.15 -5.26 117.38 118.68 1i3s n GLN 85 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1i3s n GLN 85 Cb 0.01 -0.77 0.00 0.00 1.02 0.00 0.00 30.24 30.50 1i3s n GLN 85 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1i3s n SER 92 N -0.98 0.00 -3.76 1.08 7.64 -1.26 -5.09 113.62 111.25 1i3s n SER 92 Ca 0.01 0.50 -0.25 0.00 1.01 0.00 0.00 58.87 60.15 1i3s n SER 92 Cb 0.08 -0.75 -0.17 0.00 -1.01 0.00 0.00 64.21 62.36 1i3s n SER 92 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1i3s s ILE 93 N -0.17 0.45 -0.22 0.44 1.01 -1.26 -4.57 121.20 116.88 1i3s s ILE 93 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 1i3s s ILE 93 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1i3s s ILE 93 CO 0.00 0.08 0.11 -0.54 0.00 0.00 0.00 174.94 174.60 1i3s s LYS 94 N 1.92 3.98 0.13 2.79 1.02 -0.78 -4.93 119.74 123.87 1i3s s LYS 94 Ca 0.03 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.73 1i3s s LYS 94 Cb -0.14 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1i3s s LYS 94 CO -0.06 0.10 0.19 0.71 -0.92 0.00 0.00 175.35 175.37 1i3s s TYR 95 N 0.90 3.33 -0.36 3.18 1.51 -1.26 -1.18 117.35 123.48 1i3s s TYR 95 Ca 0.06 0.09 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1i3s s TYR 95 Cb -0.13 -1.62 0.15 0.00 -0.11 0.00 0.00 41.96 40.24 1i3s s TYR 95 CO 0.03 0.53 0.32 -0.06 -1.11 0.00 0.00 175.55 175.26 1i3s s PHE 96 N -1.65 -0.01 0.02 2.71 0.40 0.10 -4.98 117.98 114.57 1i3s s PHE 96 Ca 0.33 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1i3s s PHE 96 Cb -0.11 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 1i3s s PHE 96 CO 0.26 -0.92 0.09 0.15 0.70 0.00 0.00 175.22 175.49 1i3s s LYS 97 N 1.41 3.05 0.29 0.44 1.02 -1.26 -1.02 119.74 123.66 1i3s s LYS 97 Ca 0.17 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.64 1i3s s LYS 97 Cb -0.17 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1i3s s LYS 97 CO -0.05 0.63 0.29 -0.51 -0.92 0.00 0.00 175.35 174.79 1i3s s ASP 98 N -1.93 0.91 0.04 2.83 1.11 -0.20 -5.01 116.67 114.43 1i3s s ASP 98 Ca 0.25 -1.52 -0.10 0.00 0.18 0.00 0.00 52.55 51.36 1i3s s ASP 98 Cb -0.12 0.53 -0.03 0.00 1.07 0.00 0.00 42.92 44.37 1i3s s ASP 98 CO 0.17 -1.05 1.17 -0.33 1.18 0.00 0.00 175.17 176.30 1i3s h GLU 99 N 2.29 -0.08 -0.48 8.23 3.07 -2.03 -3.15 114.58 122.44 1i3s h GLU 99 Ca -0.29 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1i3s h GLU 99 Cb 1.24 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1i3s h GLU 99 CO 0.42 -0.05 0.00 0.72 -1.40 0.00 0.00 179.01 178.70 1i3s n HIS 100 N -3.58 0.62 -3.87 4.33 -0.00 -1.26 -4.96 115.22 106.49 1i3s n HIS 100 Ca -0.01 -0.31 -0.10 0.00 -0.00 0.00 0.00 57.72 57.31 1i3s n HIS 100 Cb 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.00 1i3s n HIS 100 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1i3s s TYR 101 N -1.38 0.12 -0.05 4.41 -0.85 -1.19 0.43 117.35 118.84 1i3s s TYR 101 Ca 0.42 -0.40 -0.02 0.00 -0.52 0.00 0.00 57.07 56.54 1i3s s TYR 101 Cb 0.24 -0.07 0.03 0.00 0.38 0.00 0.00 41.96 42.54 1i3s s TYR 101 CO 0.32 -0.43 0.11 0.45 -1.52 0.00 0.00 175.55 174.48 1i3s s SER 102 N -2.26 -0.07 0.07 -0.18 0.15 -0.20 -1.03 113.70 110.18 1i3s s SER 102 Ca -0.03 0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.89 1i3s s SER 102 Cb 0.00 0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1i3s s SER 102 CO -0.05 -0.13 -0.12 -0.69 1.20 0.00 0.00 173.24 173.45 1i3s s VAL 103 N 0.98 0.95 -0.11 4.45 1.01 -0.19 0.28 120.40 127.77 1i3s s VAL 103 Ca -0.08 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 1i3s s VAL 103 Cb -0.10 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.36 1i3s s VAL 103 CO -0.04 -0.29 0.26 -0.94 0.00 0.00 0.00 175.10 174.09 1i3s s SER 104 N -1.74 -0.28 -0.12 3.32 1.04 -0.40 -0.72 113.70 114.81 1i3s s SER 104 Ca -0.04 0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.92 1i3s s SER 104 Cb -0.10 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1i3s s SER 104 CO 0.02 -0.14 -0.06 0.00 0.98 0.00 0.00 173.24 174.04 1i3s s GLN 106 N -0.13 1.02 0.75 0.00 0.00 -1.17 -1.87 119.66 118.26 1i3s s GLN 106 Ca 0.02 -0.24 -0.14 0.00 -0.00 0.00 0.00 55.36 55.00 1i3s s GLN 106 Cb -0.13 0.47 0.05 0.00 0.00 0.00 0.00 33.01 33.40 1i3s s GLN 106 CO 0.03 -0.42 1.16 -0.80 0.00 0.00 0.00 175.29 175.26 1i3s s ASN 107 N -2.26 4.25 0.19 12.60 -0.87 -1.26 -1.14 114.94 126.44 1i3s s ASN 107 Ca 0.00 2.20 -0.12 0.00 -1.57 0.00 0.00 52.86 53.37 1i3s s ASN 107 Cb -0.01 -2.57 0.19 0.00 -0.02 0.00 0.00 41.25 38.84 1i3s s ASN 107 CO -0.07 -2.22 1.77 1.23 -2.57 0.00 0.00 177.10 175.24 1i3s h GLY 108 N -0.54 0.75 0.63 0.66 0.00 -0.89 -1.56 103.07 102.12 1i3s h GLY 108 Ca -0.46 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 46.81 1i3s h GLY 108 CO 0.50 0.05 0.62 1.48 0.00 0.00 0.00 176.54 179.19 1i3s h SER 109 N 0.45 0.96 -0.56 0.19 4.64 -1.87 -1.19 113.55 116.17 1i3s h SER 109 Ca 0.25 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.51 1i3s h SER 109 Cb 0.23 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1i3s h SER 109 CO -0.22 0.58 -0.01 0.58 -0.87 0.00 0.00 176.83 176.89 1i3s h VAL 110 N 1.08 1.27 -0.26 0.95 2.07 -1.74 -2.49 116.25 117.12 1i3s h VAL 110 Ca 0.45 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1i3s h VAL 110 Cb 0.29 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1i3s h VAL 110 CO -0.21 0.41 0.14 0.25 0.02 0.00 0.00 177.57 178.18 1i3s h LEU 111 N 0.88 0.34 -1.30 2.57 5.85 -0.28 -2.66 115.31 120.71 1i3s h LEU 111 Ca 0.16 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1i3s h LEU 111 Cb 0.56 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1i3s h LEU 111 CO 0.03 0.34 -0.32 0.11 -0.34 0.00 0.00 178.44 178.26 1i3s h LYS 112 N 0.31 0.00 0.00 1.25 1.79 -1.37 0.15 116.57 118.70 1i3s h LYS 112 Ca 0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1i3s h LYS 112 Cb 0.09 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1i3s h LYS 112 CO -0.01 0.32 -0.02 0.77 -1.08 0.00 0.00 179.45 179.42 1i3s h SER 113 N 0.00 0.00 -0.21 0.86 0.02 -1.12 -3.31 113.55 109.80 1i3s h SER 113 Ca -0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1i3s h SER 113 Cb 0.67 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.84 1i3s h SER 113 CO 0.04 0.02 -1.01 0.29 -1.14 0.00 0.00 176.83 175.04 1i3s n LYS 114 N -3.11 0.92 -0.08 3.45 4.01 -1.04 -4.98 118.16 117.32 1i3s n LYS 114 Ca 0.02 -2.66 -0.11 0.00 -0.51 0.00 0.00 58.31 55.05 1i3s n LYS 114 Cb 0.41 -0.75 -0.06 0.00 -0.51 0.00 0.00 35.03 34.12 1i3s n LYS 114 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1i3s h PHE 115 N 1.75 -1.32 -0.32 2.13 3.57 -0.79 0.16 116.94 122.12 1i3s h PHE 115 Ca -0.21 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 1i3s h PHE 115 Cb 1.54 0.62 -0.01 0.00 2.79 0.00 0.00 35.95 40.89 1i3s h PHE 115 CO 0.31 -0.47 0.02 0.00 -2.23 0.00 0.00 178.31 175.94 1i3s h ALA 116 N 0.23 0.42 0.15 2.41 0.00 -1.91 0.01 119.26 120.57 1i3s h ALA 116 Ca 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1i3s h ALA 116 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1i3s h ALA 116 CO -0.52 0.16 -0.20 -0.22 0.00 0.00 0.00 179.25 178.47 1i3s h LYS 117 N 0.36 -0.39 -0.36 0.00 3.64 -1.91 1.04 116.57 118.95 1i3s h LYS 117 Ca 0.09 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1i3s h LYS 117 Cb 0.40 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 1i3s h LYS 117 CO 0.01 -0.26 0.07 0.82 -2.27 0.00 0.00 179.45 177.82 1i3s h ILE 118 N -0.40 0.82 -0.37 2.00 2.04 -0.67 0.13 117.51 121.05 1i3s h ILE 118 Ca 0.01 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1i3s h ILE 118 Cb 0.40 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1i3s h ILE 118 CO -0.08 0.03 -0.03 -0.07 0.00 0.00 0.00 178.15 178.01 1i3s h LEU 119 N 0.19 0.66 -0.82 1.44 4.07 -0.74 -2.61 115.31 117.50 1i3s h LEU 119 Ca 0.17 -0.33 0.11 0.00 0.08 0.00 0.00 57.88 57.91 1i3s h LEU 119 Cb 0.20 -0.18 -0.08 0.00 1.08 0.00 0.00 40.66 41.68 1i3s h LEU 119 CO -0.23 0.83 0.45 0.11 -1.08 0.00 0.00 178.44 178.52 1i3s h LYS 120 N 0.48 0.70 -0.37 1.13 6.56 0.16 0.37 116.57 125.60 1i3s h LYS 120 Ca 0.10 -0.04 0.11 0.00 -1.06 0.00 0.00 60.65 59.76 1i3s h LYS 120 Cb 0.51 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 1i3s h LYS 120 CO 0.02 0.46 0.42 1.03 -2.06 0.00 0.00 179.45 179.33 1i3s h SER 121 N 0.72 0.00 -0.59 0.86 0.87 -0.36 0.62 113.55 115.67 1i3s h SER 121 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1i3s h SER 121 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1i3s h SER 121 CO -0.28 0.00 0.00 1.41 -0.53 0.00 0.00 176.83 177.43 1i3s n HIS 122 N -3.67 1.65 -3.21 2.24 8.25 0.07 -4.92 115.22 115.64 1i3s n HIS 122 Ca 0.06 -0.62 -0.15 0.00 -0.26 0.00 0.00 57.72 56.76 1i3s n HIS 122 Cb 0.59 -0.34 0.07 0.00 1.12 0.00 0.00 29.99 31.43 1i3s n HIS 122 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1i3s n ASP 123 N 0.89 -3.31 -3.74 0.41 5.68 0.22 -4.92 116.55 111.78 1i3s n ASP 123 Ca 0.25 -0.58 -0.30 0.00 -0.50 0.00 0.00 54.79 53.67 1i3s n ASP 123 Cb 0.97 -4.65 -0.15 0.00 -1.14 0.00 0.00 41.12 36.16 1i3s n ASP 123 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1i3s s TYR 124 N -3.33 1.82 0.00 2.11 5.04 -0.91 -4.88 117.35 117.21 1i3s s TYR 124 Ca 0.13 -1.86 0.00 0.00 -2.44 0.00 0.00 57.07 52.90 1i3s s TYR 124 Cb -0.02 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.51 1i3s s TYR 124 CO 0.65 -0.87 0.43 2.41 -1.34 0.00 0.00 175.55 176.83 1i3s n THR 125 N 4.70 0.00 -1.55 4.34 -1.04 -1.26 -3.24 114.28 116.23 1i3s n THR 125 Ca -0.01 -0.45 -0.48 0.00 -2.04 0.00 0.00 64.05 61.07 1i3s n THR 125 Cb 0.41 1.09 -0.05 0.00 -1.82 0.00 0.00 70.33 69.96 1i3s n THR 125 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1i3s n ASP 126 N -0.05 2.77 -0.23 8.00 -0.08 -1.26 -4.84 116.55 120.87 1i3s n ASP 126 Ca 0.00 0.47 -0.01 0.00 -1.51 0.00 0.00 54.79 53.75 1i3s n ASP 126 Cb 0.02 -1.38 0.11 0.00 2.34 0.00 0.00 41.12 42.21 1i3s n ASP 126 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1i3s h LYS 127 N 12.50 0.59 -0.55 -0.67 5.09 -2.00 -2.04 116.57 129.50 1i3s h LYS 127 Ca -0.36 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 60.33 1i3s h LYS 127 Cb 1.29 -0.13 -0.03 0.00 0.10 0.00 0.00 32.23 33.46 1i3s h LYS 127 CO 0.98 0.39 0.28 1.57 -2.09 0.00 0.00 179.45 180.58 1i3s h LYS 128 N 0.61 0.78 -0.53 0.07 5.09 -1.99 -1.47 116.57 119.13 1i3s h LYS 128 Ca 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 60.65 60.93 1i3s h LYS 128 Cb 0.27 -0.15 -0.02 0.00 0.10 0.00 0.00 32.23 32.43 1i3s h LYS 128 CO -0.23 0.62 0.27 0.77 -2.09 0.00 0.00 179.45 178.80 1i3s h SER 129 N 0.74 0.67 -0.82 7.07 0.02 -1.88 0.73 113.55 120.08 1i3s h SER 129 Ca 0.19 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1i3s h SER 129 Cb 0.09 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1i3s h SER 129 CO -0.03 0.59 0.44 0.40 -1.14 0.00 0.00 176.83 177.09 1i3s h ILE 130 N 0.70 1.24 -0.54 3.27 2.04 -1.15 -0.90 117.51 122.18 1i3s h ILE 130 Ca 0.18 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1i3s h ILE 130 Cb 0.08 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1i3s h ILE 130 CO -0.03 0.28 0.05 -0.33 0.00 0.00 0.00 178.15 178.12 1i3s h GLU 131 N 1.16 0.91 0.14 2.37 5.08 -0.81 -1.92 114.58 121.51 1i3s h GLU 131 Ca 0.29 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1i3s h GLU 131 Cb 0.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1i3s h GLU 131 CO -0.05 0.90 -0.07 0.00 -1.00 0.00 0.00 179.01 178.80 1i3s h ALA 132 N 0.97 -0.19 -0.42 3.43 0.00 0.11 -1.17 119.26 122.00 1i3s h ALA 132 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1i3s h ALA 132 Cb 0.46 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1i3s h ALA 132 CO 0.02 -0.59 0.19 1.88 0.00 0.00 0.00 179.25 180.75 1i3s h TYR 133 N -0.22 0.57 0.00 0.00 -1.99 -1.17 0.44 116.97 114.60 1i3s h TYR 133 Ca -0.02 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.60 1i3s h TYR 133 Cb 0.17 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 1i3s h TYR 133 CO -0.06 0.43 -0.48 1.49 -0.00 0.00 0.00 178.16 179.54 1i3s h GLU 134 N 0.58 0.00 0.03 4.88 4.81 -1.06 0.11 114.58 123.94 1i3s h GLU 134 Ca 0.15 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1i3s h GLU 134 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1i3s h GLU 134 CO -0.02 0.48 -0.88 -0.22 -0.73 0.00 0.00 179.01 177.64 1i3s h LYS 135 N 0.00 0.06 0.00 1.92 3.64 0.02 -3.40 116.57 118.82 1i3s h LYS 135 Ca -0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1i3s h LYS 135 Cb 0.86 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1i3s h LYS 135 CO 0.06 1.05 -1.64 0.66 -2.27 0.00 0.00 179.45 177.31 1i3s n TYR 136 N -4.36 0.01 -0.02 1.91 0.53 0.14 -4.71 117.16 110.67 1i3s n TYR 136 Ca -0.23 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.63 1i3s n TYR 136 Cb 0.67 -0.33 -0.01 0.00 -1.03 0.00 0.00 39.34 38.64 1i3s n TYR 136 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1i3s n LEU 138 N -3.05 0.23 0.09 0.00 7.94 0.23 0.14 117.00 122.58 1i3s n LEU 138 Ca -0.03 1.22 -0.00 0.00 -1.11 0.00 0.00 56.01 56.08 1i3s n LEU 138 Cb 0.13 -0.60 0.30 0.00 0.53 0.00 0.00 43.42 43.78 1i3s n LEU 138 CO 0.05 -1.35 0.79 -0.65 -1.11 0.00 0.00 177.39 175.12 1i3s h PRO 139 N 0.00 0.30 0.00 1.96 0.11 -1.83 -2.45 132.00 130.08 1i3s h PRO 139 Ca 0.68 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1i3s h PRO 139 Cb 1.96 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 33.04 1i3s h PRO 139 CO -0.51 0.52 0.00 0.87 -0.21 0.00 0.00 178.00 178.67 1i3s h LYS 140 N 0.27 0.00 -0.02 1.05 1.79 -0.59 -3.16 116.57 115.91 1i3s h LYS 140 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1i3s h LYS 140 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1i3s h LYS 140 CO 0.04 0.00 -0.04 1.28 -1.08 0.00 0.00 179.45 179.65 1i3s n LEU 141 N -2.71 2.50 -4.04 2.94 4.77 -0.96 -4.91 117.00 114.59 1i3s n LEU 141 Ca 0.03 -0.98 -0.31 0.00 -0.03 0.00 0.00 56.01 54.72 1i3s n LEU 141 Cb 0.36 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.29 1i3s n LEU 141 CO 0.28 0.44 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.59 1i3s s VAL 142 N -1.63 1.71 0.04 4.08 1.01 -0.98 -4.77 120.40 119.87 1i3s s VAL 142 Ca 0.21 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1i3s s VAL 142 Cb 0.16 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1i3s s VAL 142 CO 0.26 0.44 -0.24 1.51 0.00 0.00 0.00 175.10 177.06 1i3s s ASP 143 N 1.42 2.92 -0.06 3.32 -4.77 -1.26 -4.89 116.67 113.36 1i3s s ASP 143 Ca 0.04 -0.56 -0.07 0.00 -3.30 0.00 0.00 52.55 48.66 1i3s s ASP 143 Cb -0.13 -0.26 -0.04 0.00 -1.09 0.00 0.00 42.92 41.40 1i3s s ASP 143 CO -0.11 0.22 0.31 -0.33 0.70 0.00 0.00 175.17 175.96 1i3s h GLU 144 N 4.83 -0.23 -0.76 2.11 3.07 -1.99 -3.35 114.58 118.26 1i3s h GLU 144 Ca -0.45 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 58.57 1i3s h GLU 144 Cb 1.15 0.05 -0.14 0.00 -0.84 0.00 0.00 28.75 28.97 1i3s h GLU 144 CO 0.44 -0.15 -0.22 2.89 -1.40 0.00 0.00 179.01 180.57 1i3s n ARG 145 N -4.48 -0.10 -4.70 2.33 1.85 -1.26 -3.93 116.66 106.38 1i3s n ARG 145 Ca -0.03 1.17 -0.29 0.00 -1.00 0.00 0.00 57.85 57.71 1i3s n ARG 145 Cb 0.09 -1.75 -0.17 0.00 -1.05 0.00 0.00 32.46 29.59 1i3s n ARG 145 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1i3s s ASN 146 N -5.22 2.53 -1.26 2.89 0.01 -1.26 -5.03 114.94 107.61 1i3s s ASN 146 Ca -0.11 -0.45 -0.05 0.00 -0.71 0.00 0.00 52.86 51.54 1i3s s ASN 146 Cb 0.19 -1.15 0.13 0.00 0.41 0.00 0.00 41.25 40.83 1i3s s ASN 146 CO 0.58 0.06 2.36 -0.67 -1.51 0.00 0.00 177.10 177.92 1i3s n ASP 147 N 3.94 7.94 -4.34 -1.22 4.64 -1.25 -4.05 116.55 122.20 1i3s n ASP 147 Ca -0.20 -3.19 -0.36 0.00 -1.38 0.00 0.00 54.79 49.67 1i3s n ASP 147 Cb 0.52 -1.34 0.07 0.00 -1.04 0.00 0.00 41.12 39.32 1i3s n ASP 147 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1i3s n TYR 148 N 1.55 -2.05 -2.17 -0.67 0.53 -1.26 -4.08 117.16 109.01 1i3s n TYR 148 Ca 0.61 0.27 -0.29 0.00 -1.02 0.00 0.00 57.90 57.46 1i3s n TYR 148 Cb 0.26 -1.77 0.01 0.00 -1.03 0.00 0.00 39.34 36.81 1i3s n TYR 148 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 1i3s s TYR 149 N -2.03 3.58 -0.01 -0.72 1.51 -1.18 -0.43 117.35 118.07 1i3s s TYR 149 Ca 0.58 1.08 0.03 0.00 -1.01 0.00 0.00 57.07 57.75 1i3s s TYR 149 Cb -0.31 -2.58 -0.01 0.00 -0.11 0.00 0.00 41.96 38.95 1i3s s TYR 149 CO 0.66 -0.56 -0.10 0.08 -1.11 0.00 0.00 175.55 174.51 1i3s s VAL 150 N -3.02 0.79 -0.26 0.71 1.01 -0.29 -2.74 120.40 116.60 1i3s s VAL 150 Ca 0.52 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1i3s s VAL 150 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1i3s s VAL 150 CO 0.50 0.23 0.14 0.00 0.00 0.00 0.00 175.10 175.97 1i3s s ALA 151 N -0.18 3.39 -0.32 5.51 0.00 0.93 -3.03 121.76 128.06 1i3s s ALA 151 Ca 0.03 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 1i3s s ALA 151 Cb -0.04 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.80 1i3s s ALA 151 CO -0.00 -0.47 0.11 0.08 0.00 0.00 0.00 175.76 175.47 1i3s s VAL 152 N 1.60 4.04 -0.11 0.00 1.01 -0.81 -1.74 120.40 124.39 1i3s s VAL 152 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1i3s s VAL 152 Cb -0.15 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1i3s s VAL 152 CO 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 175.10 175.01 1i3s s VAL 154 N 0.04 2.42 -0.17 0.00 1.01 0.14 -0.66 120.40 123.19 1i3s s VAL 154 Ca -0.04 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.61 1i3s s VAL 154 Cb -0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1i3s s VAL 154 CO 0.04 0.25 0.40 -0.76 0.00 0.00 0.00 175.10 175.03 1i3s s LEU 155 N 1.25 4.21 0.25 3.92 1.02 0.17 -1.03 118.68 128.47 1i3s s LEU 155 Ca -0.01 0.62 0.07 0.00 0.02 0.00 0.00 54.13 54.83 1i3s s LEU 155 Cb -0.16 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.46 1i3s s LEU 155 CO -0.07 -0.02 0.17 -0.54 0.02 0.00 0.00 176.35 175.91 1i3s s LYS 156 N 0.91 2.84 0.14 1.70 1.02 0.17 -0.27 119.74 126.24 1i3s s LYS 156 Ca 0.21 -1.10 -0.33 0.00 0.02 0.00 0.00 55.97 54.77 1i3s s LYS 156 Cb -0.14 -2.51 -0.12 0.00 -0.52 0.00 0.00 37.83 34.53 1i3s s LYS 156 CO 0.08 0.39 1.71 -2.30 -0.92 0.00 0.00 175.35 174.31 1i3s n PRO 157 N -1.15 2.46 0.00 -1.68 -0.02 -1.26 -2.11 135.00 131.25 1i3s n PRO 157 Ca -0.08 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1i3s n PRO 157 Cb 0.58 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1i3s n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i3s n GLY 158 N 3.86 2.28 0.31 -1.23 0.00 -1.26 -4.91 105.19 104.24 1i3s n GLY 158 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1i3s n GLY 158 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i3s h PHE 159 N 0.00 0.00 0.00 1.61 3.57 -1.68 0.37 116.94 120.81 1i3s h PHE 159 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1i3s h PHE 159 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1i3s h PHE 159 CO 0.00 0.00 0.00 -0.85 -2.23 0.00 0.00 178.31 175.23 1i3s n GLU 160 N -4.21 0.10 -3.59 1.11 -0.00 -1.26 -4.70 120.64 108.08 1i3s n GLU 160 Ca 0.00 0.37 -0.37 0.00 -0.00 0.00 0.00 57.16 57.16 1i3s n GLU 160 Cb 0.23 -1.70 -0.06 0.00 -0.00 0.00 0.00 31.44 29.92 1i3s n GLU 160 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1i3s s ASN 161 N -3.63 6.70 0.00 -1.84 0.02 0.13 -4.91 114.94 111.41 1i3s s ASN 161 Ca 0.05 0.84 0.00 0.00 -1.02 0.00 0.00 52.86 52.72 1i3s s ASN 161 Cb 0.08 -2.20 0.00 0.00 0.02 0.00 0.00 41.25 39.15 1i3s s ASN 161 CO 0.30 0.33 0.00 0.61 0.02 0.00 0.00 177.10 178.36 1i3s n GLY 162 N 1.76 -1.70 0.64 0.66 0.00 -1.26 -4.63 105.19 100.66 1i3s n GLY 162 Ca -0.15 -2.05 0.06 0.00 0.00 0.00 0.00 46.02 43.88 1i3s n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i3s n SER 163 N 0.00 1.71 -2.82 1.61 7.64 -1.26 -4.81 113.62 115.69 1i3s n SER 163 Ca 0.00 -3.85 -0.30 0.00 1.01 0.00 0.00 58.87 55.74 1i3s n SER 163 Cb 0.00 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 1i3s n SER 163 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1i3s n ASN 164 N -1.07 5.16 -2.96 6.43 4.13 -1.26 -0.11 115.26 125.59 1i3s n ASN 164 Ca 0.19 -3.72 -0.39 0.00 1.68 0.00 0.00 54.58 52.34 1i3s n ASN 164 Cb 0.71 -0.63 0.04 0.00 -1.54 0.00 0.00 39.78 38.35 1i3s n ASN 164 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i3s n GLN 165 N -0.35 3.05 -3.67 3.52 3.00 -1.25 -4.52 117.38 117.15 1i3s n GLN 165 Ca 0.38 -3.70 -0.19 0.00 -0.01 0.00 0.00 57.00 53.48 1i3s n GLN 165 Cb 0.47 -2.29 -0.18 0.00 0.00 0.00 0.00 30.24 28.25 1i3s n GLN 165 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1i3s s VAL 166 N -5.03 -0.13 -0.11 5.09 1.01 -1.23 -4.77 120.40 115.22 1i3s s VAL 166 Ca 0.51 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.83 1i3s s VAL 166 Cb 0.41 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.58 1i3s s VAL 166 CO -0.38 0.17 0.14 -0.76 0.00 0.00 0.00 175.10 174.27 1i3s s LEU 167 N 2.15 4.35 -0.13 3.92 1.43 -1.21 0.11 118.68 129.30 1i3s s LEU 167 Ca 0.04 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1i3s s LEU 167 Cb -0.12 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1i3s s LEU 167 CO -0.03 0.40 -0.19 -0.55 0.23 0.00 0.00 176.35 176.20 1i3s s SER 168 N -1.08 2.86 -0.24 2.29 0.15 0.12 -1.34 113.70 116.46 1i3s s SER 168 Ca 0.16 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 1i3s s SER 168 Cb -0.12 -1.31 0.01 0.00 -1.71 0.00 0.00 66.02 62.89 1i3s s SER 168 CO 0.05 0.04 -0.05 -0.36 1.20 0.00 0.00 173.24 174.12 1i3s s PHE 169 N 0.98 3.03 -0.27 3.44 0.08 0.89 -1.56 117.98 124.57 1i3s s PHE 169 Ca -0.05 -1.34 -0.17 0.00 0.12 0.00 0.00 56.93 55.50 1i3s s PHE 169 Cb -0.15 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 1i3s s PHE 169 CO -0.04 -0.67 0.46 -2.00 -0.10 0.00 0.00 175.22 172.87 1i3s s GLU 170 N 1.38 4.01 0.23 0.44 2.12 0.21 0.60 118.70 127.68 1i3s s GLU 170 Ca 0.02 0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.46 1i3s s GLU 170 Cb -0.16 -3.67 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 1i3s s GLU 170 CO -0.04 -0.35 0.29 1.52 -0.54 0.00 0.00 175.26 176.15 1i3s s TYR 171 N 2.22 0.85 -0.35 5.30 1.13 0.16 0.11 117.35 126.77 1i3s s TYR 171 Ca 0.18 -1.12 0.02 0.00 -1.41 0.00 0.00 57.07 54.74 1i3s s TYR 171 Cb -0.16 -0.24 0.10 0.00 -1.10 0.00 0.00 41.96 40.56 1i3s s TYR 171 CO 0.10 -0.82 0.08 -0.80 -2.51 0.00 0.00 175.55 171.60 1i3s s ASN 172 N -3.11 4.89 0.31 -0.18 -0.87 -0.83 -0.20 114.94 114.95 1i3s s ASN 172 Ca 0.32 -2.01 -0.27 0.00 -1.57 0.00 0.00 52.86 49.33 1i3s s ASN 172 Cb 0.03 -1.68 -0.14 0.00 -0.02 0.00 0.00 41.25 39.44 1i3s s ASN 172 CO 0.12 -0.40 0.88 -2.65 -2.57 0.00 0.00 177.10 172.47 1i3s n PRO 173 N 4.38 1.05 -4.44 -0.60 -0.02 -1.26 -3.65 135.00 130.48 1i3s n PRO 173 Ca -0.00 0.37 -0.34 0.00 -2.02 0.00 0.00 63.50 61.51 1i3s n PRO 173 Cb 0.42 -1.70 -0.12 0.00 -0.02 0.00 0.00 33.50 32.08 1i3s n PRO 173 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i3s s ILE 174 N -1.13 3.86 -1.02 4.25 -1.09 0.18 -4.60 121.20 121.65 1i3s s ILE 174 Ca 0.60 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1i3s s ILE 174 Cb -0.70 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 1i3s s ILE 174 CO 0.59 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.42 1i3s n GLY 175 N 3.33 0.59 2.97 6.18 0.00 -1.26 -3.35 105.19 113.64 1i3s n GLY 175 Ca -0.18 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 1i3s n GLY 175 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i3s n ASN 176 N 0.13 -5.56 -4.56 1.61 3.02 -1.26 -4.96 115.26 103.68 1i3s n ASN 176 Ca -0.12 -0.24 -0.28 0.00 -0.03 0.00 0.00 54.58 53.91 1i3s n ASN 176 Cb 0.47 -4.53 -0.10 0.00 -0.61 0.00 0.00 39.78 35.01 1i3s n ASN 176 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1i3s s LYS 177 N -5.64 2.05 -0.02 3.52 -0.14 -1.21 -0.89 119.74 117.41 1i3s s LYS 177 Ca 0.27 -1.18 0.03 0.00 -1.36 0.00 0.00 55.97 53.73 1i3s s LYS 177 Cb -0.12 -2.20 -0.00 0.00 -1.68 0.00 0.00 37.83 33.82 1i3s s LYS 177 CO 0.33 0.46 -0.09 0.08 -0.76 0.00 0.00 175.35 175.37 1i3s s VAL 178 N -1.48 0.78 -0.17 3.17 1.01 -0.45 -4.52 120.40 118.74 1i3s s VAL 178 Ca 0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1i3s s VAL 178 Cb -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1i3s s VAL 178 CO 0.14 0.23 -0.08 -0.63 0.00 0.00 0.00 175.10 174.76 1i3s s ILE 179 N -0.04 3.32 -0.51 2.22 1.01 -1.26 -1.27 121.20 124.67 1i3s s ILE 179 Ca 0.01 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 1i3s s ILE 179 Cb -0.06 -2.45 0.09 0.00 0.01 0.00 0.00 42.46 40.05 1i3s s ILE 179 CO -0.00 0.48 0.50 -0.69 0.00 0.00 0.00 174.94 175.23 1i3s s VAL 180 N 0.80 5.12 -0.81 2.92 1.01 0.31 -4.83 120.40 124.92 1i3s s VAL 180 Ca -0.03 -1.10 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 1i3s s VAL 180 Cb -0.15 -4.27 -0.26 0.00 0.00 0.00 0.00 36.38 31.70 1i3s s VAL 180 CO 0.01 -0.78 1.97 -0.81 0.00 0.00 0.00 175.10 175.49 1i3s n PRO 181 N 5.52 0.21 -0.00 2.72 -0.04 -1.26 -2.49 135.00 139.65 1i3s n PRO 181 Ca -0.12 -1.58 0.10 0.00 -0.04 0.00 0.00 63.50 61.86 1i3s n PRO 181 Cb 0.43 -3.54 -0.14 0.00 -0.04 0.00 0.00 33.50 30.21 1i3s n PRO 181 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i3s n PHE 182 N 16.56 0.00 -1.68 0.54 0.99 -1.26 -4.97 117.46 127.64 1i3s n PHE 182 Ca 0.43 0.00 -0.47 0.00 -0.00 0.00 0.00 57.45 57.41 1i3s n PHE 182 Cb 0.46 -0.22 -0.04 0.00 -1.00 0.00 0.00 39.48 38.67 1i3s n PHE 182 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1i3s n ALA 183 N -1.82 1.03 -1.96 4.37 0.00 -1.21 -4.73 120.51 116.19 1i3s n ALA 183 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 53.44 53.50 1i3s n ALA 183 Cb 0.42 -2.52 0.06 0.00 0.00 0.00 0.00 19.45 17.41 1i3s n ALA 183 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1i3s s HIS 184 N 3.88 2.62 0.76 0.00 3.76 -1.26 -5.01 115.29 120.04 1i3s s HIS 184 Ca 0.91 0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 55.77 1i3s s HIS 184 Cb -0.65 -2.94 0.05 0.00 1.11 0.00 0.00 32.58 30.15 1i3s s HIS 184 CO 0.49 -1.20 1.08 -1.83 -0.85 0.00 0.00 174.74 172.43 1i3s s GLU 185 N -4.98 2.40 0.22 1.40 1.03 -1.26 -4.94 118.70 112.58 1i3s s GLU 185 Ca 0.60 0.85 -0.18 0.00 0.03 0.00 0.00 54.97 56.28 1i3s s GLU 185 Cb -0.09 -1.94 -0.08 0.00 -0.80 0.00 0.00 34.13 31.22 1i3s s GLU 185 CO 0.41 -1.45 0.69 0.42 -1.33 0.00 0.00 175.26 174.00 1i3s s ILE 186 N -3.06 4.65 0.08 1.83 1.01 0.79 -5.01 121.20 121.49 1i3s s ILE 186 Ca 0.60 1.12 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1i3s s ILE 186 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1i3s s ILE 186 CO 0.55 0.14 -0.06 0.54 0.00 0.00 0.00 174.94 176.11 1i3s s ASN 187 N -1.78 0.95 0.43 3.58 2.20 -1.26 -4.86 114.94 114.20 1i3s s ASN 187 Ca 0.44 -0.92 0.19 0.00 -0.94 0.00 0.00 52.86 51.63 1i3s s ASN 187 Cb -0.15 0.10 0.98 0.00 -2.00 0.00 0.00 41.25 40.18 1i3s s ASN 187 CO 0.20 -0.44 1.90 0.44 -2.94 0.00 0.00 177.10 176.26 1i3s h ASP 188 N 3.29 0.00 0.57 3.54 3.32 -1.98 -2.80 116.42 122.37 1i3s h ASP 188 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1i3s h ASP 188 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1i3s h ASP 188 CO 0.60 0.27 0.00 0.71 -1.72 0.00 0.00 179.24 179.10 1i3s h THR 189 N 0.00 0.00 -0.03 0.35 1.35 -2.03 -3.45 112.91 109.10 1i3s h THR 189 Ca -0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 1i3s h THR 189 Cb 0.58 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1i3s h THR 189 CO 0.04 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.90 1i3s n GLY 190 N -0.42 0.30 3.25 5.82 0.00 -1.06 -4.99 105.19 108.09 1i3s n GLY 190 Ca -0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1i3s n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3s s LEU 191 N -0.13 2.04 -0.03 0.99 1.43 -1.26 -4.36 118.68 117.36 1i3s s LEU 191 Ca 0.00 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1i3s s LEU 191 Cb 0.00 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 1i3s s LEU 191 CO 0.00 0.27 -0.13 -0.31 0.23 0.00 0.00 176.35 176.41 1i3s s TYR 192 N -0.44 1.27 -0.22 0.29 1.51 0.81 -4.93 117.35 115.63 1i3s s TYR 192 Ca 0.06 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1i3s s TYR 192 Cb -0.10 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.83 1i3s s TYR 192 CO -0.00 -0.11 0.16 -2.00 -1.11 0.00 0.00 175.55 172.49 1i3s s GLU 193 N 0.07 4.13 0.10 -0.62 2.12 -1.26 -0.42 118.70 122.81 1i3s s GLU 193 Ca -0.02 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.10 1i3s s GLU 193 Cb -0.09 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1i3s s GLU 193 CO 0.01 0.16 0.24 0.71 -0.54 0.00 0.00 175.26 175.83 1i3s s TYR 194 N 0.77 3.50 -0.52 5.30 1.51 0.61 -4.96 117.35 123.56 1i3s s TYR 194 Ca 0.08 0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.41 1i3s s TYR 194 Cb -0.13 -1.72 0.19 0.00 -0.11 0.00 0.00 41.96 40.20 1i3s s TYR 194 CO 0.02 0.56 0.73 0.34 -1.11 0.00 0.00 175.55 176.09 1i3s s ASP 195 N -2.80 -1.45 -0.04 2.29 2.15 -0.88 -1.21 116.67 114.73 1i3s s ASP 195 Ca 0.35 -1.72 -0.10 0.00 0.43 0.00 0.00 52.55 51.51 1i3s s ASP 195 Cb -0.12 1.90 0.02 0.00 -0.30 0.00 0.00 42.92 44.41 1i3s s ASP 195 CO 0.28 -0.05 0.23 0.54 -0.17 0.00 0.00 175.17 176.00 1i3s s VAL 196 N 0.89 0.04 0.16 1.11 0.11 -0.17 -0.62 120.40 121.93 1i3s s VAL 196 Ca 0.30 -0.36 0.08 0.00 -2.93 0.00 0.00 61.98 59.07 1i3s s VAL 196 Cb -0.00 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1i3s s VAL 196 CO -0.05 -0.20 -0.18 0.68 -3.33 0.00 0.00 175.10 172.03 1i3s s VAL 197 N -0.77 1.73 0.00 2.04 -7.23 -0.57 -0.78 120.40 114.82 1i3s s VAL 197 Ca -0.09 -1.88 -0.16 0.00 -1.81 0.00 0.00 61.98 58.04 1i3s s VAL 197 Cb -0.05 -1.79 0.03 0.00 0.56 0.00 0.00 36.38 35.13 1i3s s VAL 197 CO 0.02 -0.33 0.35 0.00 -0.31 0.00 0.00 175.10 174.83 1i3s s ALA 198 N -2.06 -0.87 -0.13 1.32 0.00 0.79 -2.05 121.76 118.76 1i3s s ALA 198 Ca 0.14 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1i3s s ALA 198 Cb -0.06 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1i3s s ALA 198 CO 0.06 -0.32 -0.03 -0.47 0.00 0.00 0.00 175.76 175.00 1i3s s TYR 199 N -1.68 1.22 -0.08 0.00 6.14 0.11 -1.31 117.35 121.74 1i3s s TYR 199 Ca -0.11 -0.69 0.01 0.00 0.64 0.00 0.00 57.07 56.92 1i3s s TYR 199 Cb -0.03 -1.09 0.02 0.00 0.42 0.00 0.00 41.96 41.28 1i3s s TYR 199 CO 0.03 -0.50 -0.08 0.08 0.64 0.00 0.00 175.55 175.71 1i3s s VAL 200 N 1.79 0.95 0.34 3.14 1.01 -0.36 -0.61 120.40 126.66 1i3s s VAL 200 Ca 0.03 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1i3s s VAL 200 Cb -0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1i3s s VAL 200 CO -0.07 0.33 0.12 1.51 0.00 0.00 0.00 175.10 176.99 1i3s s ASP 201 N 1.20 4.61 -1.00 3.32 1.47 -0.87 0.45 116.67 125.84 1i3s s ASP 201 Ca -0.05 -0.80 -0.00 0.00 1.18 0.00 0.00 52.55 52.87 1i3s s ASP 201 Cb -0.14 -0.70 0.00 0.00 -0.34 0.00 0.00 42.92 41.74 1i3s s ASP 201 CO -0.02 -0.29 0.83 -1.20 0.68 0.00 0.00 175.17 175.17 1i3s n SER 202 N -1.12 -2.18 -4.22 2.11 7.64 -0.90 -4.33 113.62 110.63 1i3s n SER 202 Ca -0.03 -0.51 -0.14 0.00 1.01 0.00 0.00 58.87 59.20 1i3s n SER 202 Cb 0.61 -4.32 -0.10 0.00 -1.01 0.00 0.00 64.21 59.40 1i3s n SER 202 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1i3s s VAL 203 N -3.30 1.05 -0.15 0.44 -7.23 -1.17 -1.72 120.40 108.32 1i3s s VAL 203 Ca 0.02 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 1i3s s VAL 203 Cb -0.01 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 1i3s s VAL 203 CO 0.60 -0.72 0.15 -1.58 -0.31 0.00 0.00 175.10 173.25 1i3s s GLN 204 N -3.52 3.83 0.71 4.82 0.74 0.18 -4.72 119.66 121.70 1i3s s GLN 204 Ca 0.13 -0.14 -0.16 0.00 0.05 0.00 0.00 55.36 55.24 1i3s s GLN 204 Cb 0.02 -3.31 0.02 0.00 1.10 0.00 0.00 33.01 30.84 1i3s s GLN 204 CO -0.00 0.54 1.19 0.34 -0.55 0.00 0.00 175.29 176.80 1i3s n PHE 205 N 2.74 1.43 -3.12 1.67 7.35 -1.26 -4.40 117.46 121.87 1i3s n PHE 205 Ca -0.18 0.41 -0.20 0.00 -0.76 0.00 0.00 57.45 56.73 1i3s n PHE 205 Cb 0.53 -2.18 -0.05 0.00 0.35 0.00 0.00 39.48 38.14 1i3s n PHE 205 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1i3s n ASP 206 N -2.21 -1.04 -0.31 -2.13 -0.08 -1.26 -4.96 116.55 104.57 1i3s n ASP 206 Ca 0.15 -2.72 0.15 0.00 -1.51 0.00 0.00 54.79 50.85 1i3s n ASP 206 Cb 0.49 0.12 0.31 0.00 2.34 0.00 0.00 41.12 44.37 1i3s n ASP 206 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1i3s h GLY 207 N 4.66 1.38 0.78 0.27 0.00 -1.99 -2.05 103.07 106.12 1i3s h GLY 207 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1i3s h GLY 207 CO 0.35 -0.45 -0.44 0.83 0.00 0.00 0.00 176.54 176.83 1i3s h GLU 208 N 0.12 -1.02 0.00 4.80 5.08 -1.99 0.68 114.58 122.24 1i3s h GLU 208 Ca 0.58 0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.99 1i3s h GLU 208 Cb 1.23 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1i3s h GLU 208 CO -0.75 -0.68 -0.10 -0.56 -1.00 0.00 0.00 179.01 175.91 1i3s h GLN 209 N -1.06 0.00 -0.28 2.33 3.07 -1.91 -1.75 115.11 115.51 1i3s h GLN 209 Ca -0.09 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.53 1i3s h GLN 209 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.42 1i3s h GLN 209 CO 0.07 0.10 -0.32 0.74 0.09 0.00 0.00 178.83 179.51 1i3s h PHE 210 N 0.00 0.86 0.06 0.06 0.04 -1.11 -2.62 116.94 114.24 1i3s h PHE 210 Ca -0.00 -0.27 -0.00 0.00 2.80 0.00 0.00 57.97 60.50 1i3s h PHE 210 Cb 0.50 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1i3s h PHE 210 CO 0.00 1.02 -0.03 1.49 -0.60 0.00 0.00 178.31 180.19 1i3s h GLU 211 N 0.45 -0.08 -0.75 1.51 4.81 -0.33 -0.62 114.58 119.56 1i3s h GLU 211 Ca 0.04 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.43 1i3s h GLU 211 Cb 0.90 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.15 1i3s h GLU 211 CO 0.08 0.12 -0.14 1.49 -0.73 0.00 0.00 179.01 179.83 1i3s h GLU 212 N -0.27 0.02 0.80 1.92 4.81 -1.34 0.29 114.58 120.80 1i3s h GLU 212 Ca -0.01 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1i3s h GLU 212 Cb 0.24 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1i3s h GLU 212 CO 0.01 0.01 -0.41 0.35 -0.73 0.00 0.00 179.01 178.25 1i3s h PHE 213 N 0.02 -1.06 -0.81 0.92 3.57 -1.07 -2.78 116.94 115.73 1i3s h PHE 213 Ca 0.38 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.92 1i3s h PHE 213 Cb 0.60 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 1i3s h PHE 213 CO -0.56 -0.64 0.49 0.28 -2.23 0.00 0.00 178.31 175.65 1i3s h VAL 214 N -1.10 0.99 0.00 1.41 2.07 -0.73 -1.61 116.25 117.28 1i3s h VAL 214 Ca -0.11 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1i3s h VAL 214 Cb 0.85 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1i3s h VAL 214 CO 0.16 0.16 -0.05 -0.61 0.02 0.00 0.00 177.57 177.26 1i3s h GLN 215 N 0.87 0.00 -0.00 1.57 4.15 -0.41 -1.91 115.11 119.38 1i3s h GLN 215 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1i3s h GLN 215 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1i3s h GLN 215 CO -0.19 0.05 -0.26 -1.13 -1.93 0.00 0.00 178.83 175.36 1i3s n SER 216 N -3.53 0.32 -4.77 -0.69 3.41 -0.61 -4.95 113.62 102.81 1i3s n SER 216 Ca -0.02 -0.03 -0.39 0.00 -0.26 0.00 0.00 58.87 58.18 1i3s n SER 216 Cb 0.16 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 1i3s n SER 216 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i3s s LEU 217 N -2.92 4.44 -0.20 1.04 1.43 -0.72 -4.46 118.68 117.29 1i3s s LEU 217 Ca 0.15 2.01 -0.04 0.00 -1.03 0.00 0.00 54.13 55.21 1i3s s LEU 217 Cb 0.18 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1i3s s LEU 217 CO 0.60 -0.10 -0.02 -0.63 0.23 0.00 0.00 176.35 176.43 1i3s s ILE 218 N -1.39 3.73 0.41 -0.59 1.09 -0.32 -4.96 121.20 119.17 1i3s s ILE 218 Ca 0.48 -0.39 -0.17 0.00 -1.10 0.00 0.00 60.65 59.47 1i3s s ILE 218 Cb -0.25 -2.68 -0.09 0.00 -1.06 0.00 0.00 42.46 38.38 1i3s s ILE 218 CO 0.31 0.43 0.87 -0.76 -0.10 0.00 0.00 174.94 175.69 1i3s s LEU 219 N 1.12 3.90 1.32 2.97 1.02 -1.26 -2.54 118.68 125.20 1i3s s LEU 219 Ca 0.02 1.49 -0.19 0.00 0.02 0.00 0.00 54.13 55.47 1i3s s LEU 219 Cb -0.14 -4.34 0.33 0.00 0.02 0.00 0.00 46.19 42.05 1i3s s LEU 219 CO 0.01 -0.36 0.98 -2.84 0.02 0.00 0.00 176.35 174.15 1i3s s PRO 220 N -3.37 -2.10 0.14 1.29 0.02 -1.26 -5.00 135.00 124.72 1i3s s PRO 220 Ca 0.58 0.32 0.09 0.00 0.02 0.00 0.00 61.00 62.01 1i3s s PRO 220 Cb -0.10 -1.46 -0.04 0.00 0.02 0.00 0.00 34.50 32.92 1i3s s PRO 220 CO 0.20 -4.38 -0.17 0.45 -0.33 0.00 0.00 177.00 172.77 1i3s s SER 221 N -3.05 3.94 0.00 2.53 0.15 -1.26 -4.99 113.70 111.01 1i3s s SER 221 Ca 0.69 -0.59 0.25 0.00 0.70 0.00 0.00 55.95 57.00 1i3s s SER 221 Cb -0.17 -0.56 0.37 0.00 -1.71 0.00 0.00 66.02 63.95 1i3s s SER 221 CO 0.60 0.16 1.35 -1.54 1.20 0.00 0.00 173.24 175.00 1i3s n SER 222 N 0.58 2.38 -0.70 5.45 3.41 -1.26 -4.95 113.62 118.52 1i3s n SER 222 Ca -0.14 -1.73 -0.09 0.00 -0.26 0.00 0.00 58.87 56.64 1i3s n SER 222 Cb 0.54 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1i3s n SER 222 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1i3s n PHE 223 N 0.72 0.00 -3.79 7.33 3.01 -1.26 -4.99 117.46 118.48 1i3s n PHE 223 Ca 0.14 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.24 1i3s n PHE 223 Cb 0.51 -1.97 -0.11 0.00 -0.01 0.00 0.00 39.48 37.90 1i3s n PHE 223 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1i3s s LYS 224 N -2.58 3.89 0.44 -1.08 1.02 -1.26 -4.97 119.74 115.21 1i3s s LYS 224 Ca 0.00 -0.36 0.25 0.00 0.02 0.00 0.00 55.97 55.88 1i3s s LYS 224 Cb 0.00 -3.39 1.37 0.00 -0.52 0.00 0.00 37.83 35.29 1i3s s LYS 224 CO 0.00 0.01 1.75 -0.91 -0.92 0.00 0.00 175.35 175.28 1i3s h ASN 225 N 7.62 0.00 -0.29 2.83 -0.26 -2.02 -1.68 115.58 121.78 1i3s h ASN 225 Ca -0.37 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.37 1i3s h ASN 225 Cb 1.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1i3s h ASN 225 CO 0.63 0.00 0.00 -1.54 -1.06 0.00 0.00 177.43 175.46 1i3s n SER 226 N -2.46 2.85 -4.76 5.81 3.41 -1.26 -4.97 113.62 112.23 1i3s n SER 226 Ca -0.02 -1.90 -0.39 0.00 -0.26 0.00 0.00 58.87 56.30 1i3s n SER 226 Cb 0.16 -0.18 0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1i3s n SER 226 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1i3s s GLU 227 N -1.64 3.72 0.05 4.33 -1.05 -0.63 -4.76 118.70 118.72 1i3s s GLU 227 Ca 0.36 2.09 0.02 0.00 -0.15 0.00 0.00 54.97 57.30 1i3s s GLU 227 Cb 0.21 -2.56 -0.02 0.00 -0.44 0.00 0.00 34.13 31.32 1i3s s GLU 227 CO 0.30 -0.68 -0.08 0.15 0.95 0.00 0.00 175.26 175.90 1i3s s LYS 228 N -2.51 0.56 -0.18 -4.83 1.02 0.14 -4.99 119.74 108.95 1i3s s LYS 228 Ca 0.62 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.78 1i3s s LYS 228 Cb -0.36 -0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 1i3s s LYS 228 CO 0.45 0.06 -0.02 0.08 -0.92 0.00 0.00 175.35 175.01 1i3s s VAL 229 N -1.39 3.93 0.03 3.17 1.01 -1.26 -0.51 120.40 125.38 1i3s s VAL 229 Ca -0.09 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1i3s s VAL 229 Cb -0.10 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1i3s s VAL 229 CO 0.01 0.46 -0.20 -0.76 0.00 0.00 0.00 175.10 174.61 1i3s s LEU 230 N 0.69 2.50 -0.27 3.92 1.02 -0.38 -4.94 118.68 121.21 1i3s s LEU 230 Ca -0.01 -0.44 -0.12 0.00 0.02 0.00 0.00 54.13 53.58 1i3s s LEU 230 Cb -0.14 -1.46 -0.05 0.00 0.02 0.00 0.00 46.19 44.56 1i3s s LEU 230 CO 0.02 0.27 0.26 -0.47 0.02 0.00 0.00 176.35 176.45 1i3s s TYR 231 N -0.86 3.25 -0.12 0.29 5.04 -1.26 -1.15 117.35 122.53 1i3s s TYR 231 Ca 0.13 0.25 -0.03 0.00 -2.44 0.00 0.00 57.07 54.99 1i3s s TYR 231 Cb -0.10 -2.44 -0.03 0.00 0.35 0.00 0.00 41.96 39.74 1i3s s TYR 231 CO 0.04 -0.15 -0.02 0.71 -1.34 0.00 0.00 175.55 174.78 1i3s s TYR 232 N 1.77 3.06 -0.36 4.97 1.51 0.32 -5.00 117.35 123.61 1i3s s TYR 232 Ca 0.10 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1i3s s TYR 232 Cb -0.16 -1.88 0.15 0.00 -0.11 0.00 0.00 41.96 39.96 1i3s s TYR 232 CO 0.10 0.18 0.29 1.21 -1.11 0.00 0.00 175.55 176.21 1i3s s ASN 233 N -0.17 2.15 0.16 2.29 3.84 -1.25 -0.65 114.94 121.31 1i3s s ASN 233 Ca 0.04 -2.00 0.02 0.00 0.21 0.00 0.00 52.86 51.13 1i3s s ASN 233 Cb -0.13 -0.01 -0.05 0.00 -0.55 0.00 0.00 41.25 40.52 1i3s s ASN 233 CO 0.02 -0.28 -0.02 -1.83 -2.79 0.00 0.00 177.10 172.20 1i3s s GLU 234 N 1.15 1.06 -0.14 0.43 -1.05 0.50 -5.00 118.70 115.65 1i3s s GLU 234 Ca 0.19 -1.49 0.01 0.00 -0.15 0.00 0.00 54.97 53.52 1i3s s GLU 234 Cb -0.19 -0.31 0.02 0.00 -0.44 0.00 0.00 34.13 33.21 1i3s s GLU 234 CO -0.01 -0.09 -0.15 0.00 0.95 0.00 0.00 175.26 175.96 1i3s s ALA 235 N -3.60 1.85 0.55 -0.84 0.00 -1.26 0.65 121.76 119.10 1i3s s ALA 235 Ca 0.21 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1i3s s ALA 235 Cb 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1i3s s ALA 235 CO 0.02 -0.31 0.00 0.43 0.00 0.00 0.00 175.76 175.90 1i3s n SER 236 N 4.63 0.00 0.01 0.00 7.64 0.19 -4.99 113.62 121.09 1i3s n SER 236 Ca -0.18 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.64 1i3s n SER 236 Cb 0.50 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 1i3s n SER 236 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1i3s h LYS 237 N 0.00 -0.13 -0.02 1.43 -0.00 -2.01 -3.37 116.57 112.47 1i3s h LYS 237 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 1i3s h LYS 237 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 32.23 32.26 1i3s h LYS 237 CO 0.00 0.22 -0.15 0.09 -0.00 0.00 0.00 179.45 179.61 1i3s n ASN 238 N -4.83 2.18 -3.88 7.07 3.02 -1.26 -4.97 115.26 112.59 1i3s n ASN 238 Ca -0.05 -1.63 -0.09 0.00 -0.03 0.00 0.00 54.58 52.78 1i3s n ASN 238 Cb 0.20 0.14 -0.08 0.00 -0.61 0.00 0.00 39.78 39.43 1i3s n ASN 238 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1i3s s LYS 239 N -2.18 0.81 -0.08 3.52 -2.85 -1.26 -0.94 119.74 116.76 1i3s s LYS 239 Ca 0.27 -0.97 0.04 0.00 -1.00 0.00 0.00 55.97 54.31 1i3s s LYS 239 Cb 0.20 0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 1i3s s LYS 239 CO 0.40 -0.25 -0.20 0.45 0.10 0.00 0.00 175.35 175.85 1i3s s SER 240 N -2.83 3.46 -0.04 0.03 0.15 0.16 0.54 113.70 115.18 1i3s s SER 240 Ca 0.05 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.30 1i3s s SER 240 Cb 0.05 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1i3s s SER 240 CO -0.11 0.22 -0.12 -0.04 1.20 0.00 0.00 173.24 174.39 1i3s s MET 241 N -0.01 1.31 -0.21 5.44 -1.94 0.21 0.03 119.30 124.13 1i3s s MET 241 Ca -0.07 -0.42 -0.03 0.00 -1.71 0.00 0.00 55.69 53.46 1i3s s MET 241 Cb -0.15 -1.17 0.07 0.00 2.01 0.00 0.00 34.83 35.59 1i3s s MET 241 CO 0.05 0.15 0.07 0.42 -0.01 0.00 0.00 175.02 175.70 1i3s s ILE 242 N 0.19 0.29 0.29 2.53 1.01 -0.35 -0.37 121.20 124.79 1i3s s ILE 242 Ca -0.04 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 1i3s s ILE 242 Cb -0.10 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.45 1i3s s ILE 242 CO 0.01 -0.33 0.66 -0.72 0.00 0.00 0.00 174.94 174.56 1i3s s TYR 243 N 1.96 0.03 0.16 3.97 1.13 0.17 -0.24 117.35 124.53 1i3s s TYR 243 Ca 0.02 -0.49 0.10 0.00 -1.41 0.00 0.00 57.07 55.29 1i3s s TYR 243 Cb -0.17 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1i3s s TYR 243 CO -0.13 -1.22 -0.19 0.15 -2.51 0.00 0.00 175.55 171.65 1i3s s LYS 244 N -3.69 1.71 0.03 -3.49 1.02 -0.54 0.12 119.74 114.89 1i3s s LYS 244 Ca 0.15 -1.35 -0.06 0.00 0.02 0.00 0.00 55.97 54.73 1i3s s LYS 244 Cb -0.04 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1i3s s LYS 244 CO 0.09 0.44 0.11 0.00 -0.92 0.00 0.00 175.35 175.06 1i3s s ALA 245 N -1.46 -0.16 -0.23 5.17 0.00 -0.30 -1.89 121.76 122.88 1i3s s ALA 245 Ca 0.20 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 1i3s s ALA 245 Cb -0.09 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1i3s s ALA 245 CO 0.11 -0.28 0.32 -1.17 0.00 0.00 0.00 175.76 174.73 1i3s s LEU 246 N -1.87 4.11 0.08 0.00 2.96 0.48 -1.25 118.68 123.19 1i3s s LEU 246 Ca -0.08 0.34 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1i3s s LEU 246 Cb -0.03 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1i3s s LEU 246 CO -0.03 -0.06 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.15 1i3s s GLU 247 N 1.42 1.02 0.02 1.98 2.02 0.33 -1.29 118.70 124.21 1i3s s GLU 247 Ca 0.15 -1.05 -0.29 0.00 0.02 0.00 0.00 54.97 53.80 1i3s s GLU 247 Cb -0.15 -1.18 0.10 0.00 0.10 0.00 0.00 34.13 33.01 1i3s s GLU 247 CO 0.07 0.27 1.10 -0.59 0.02 0.00 0.00 175.26 176.14 1i3s s PHE 248 N -1.16 -0.13 0.20 1.61 -0.12 -1.17 -0.69 117.98 116.53 1i3s s PHE 248 Ca 0.03 -0.04 0.10 0.00 -0.05 0.00 0.00 56.93 56.97 1i3s s PHE 248 Cb -0.10 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1i3s s PHE 248 CO 0.03 -0.51 -0.16 0.99 -0.05 0.00 0.00 175.22 175.52 1i3s s THR 249 N -2.84 2.78 -0.04 -4.49 2.01 -1.26 0.08 115.64 111.88 1i3s s THR 249 Ca 0.11 -1.90 -0.03 0.00 0.31 0.00 0.00 61.69 60.19 1i3s s THR 249 Cb 0.01 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1i3s s THR 249 CO -0.02 -0.15 0.09 0.42 -0.69 0.00 0.00 174.62 174.27 1i3s s THR 250 N -1.79 -0.01 0.03 -0.82 -4.23 -0.34 -4.97 115.64 103.51 1i3s s THR 250 Ca 0.24 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.86 1i3s s THR 250 Cb -0.08 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.60 1i3s s THR 250 CO 0.13 0.01 -0.22 -1.61 -0.54 0.00 0.00 174.62 172.40 1i3s s GLU 251 N 0.23 1.53 0.45 3.99 2.02 -1.26 -0.39 118.70 125.26 1i3s s GLU 251 Ca -0.02 -0.94 -0.24 0.00 0.02 0.00 0.00 54.97 53.80 1i3s s GLU 251 Cb -0.03 -1.62 -0.09 0.00 0.10 0.00 0.00 34.13 32.49 1i3s s GLU 251 CO -0.01 0.42 1.15 0.45 0.02 0.00 0.00 175.26 177.29 1i3s n SER 252 N 1.97 1.91 0.22 -0.19 2.88 -1.15 -4.86 113.62 114.39 1i3s n SER 252 Ca -0.17 1.04 0.10 0.00 -1.33 0.00 0.00 58.87 58.52 1i3s n SER 252 Cb 0.53 -1.44 0.37 0.00 -0.75 0.00 0.00 64.21 62.92 1i3s n SER 252 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1i3s h SER 253 N 1.68 0.00 0.00 -3.46 4.64 -1.99 -3.40 113.55 111.02 1i3s h SER 253 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1i3s h SER 253 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1i3s h SER 253 CO 0.58 0.21 -0.05 -2.67 -0.87 0.00 0.00 176.83 174.02 1i3s n TRP 254 N -3.27 0.00 0.00 4.77 4.27 -1.26 -4.90 117.44 117.04 1i3s n TRP 254 Ca 0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.62 1i3s n TRP 254 Cb 0.48 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.43 1i3s n TRP 254 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1i3s n GLY 255 N 0.76 0.75 2.02 -1.67 0.00 -1.26 -4.57 105.19 101.22 1i3s n GLY 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i3s n GLY 255 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i3s n LYS 256 N 2.62 -0.51 -1.25 1.61 3.00 -1.26 -3.42 118.16 118.95 1i3s n LYS 256 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 1i3s n LYS 256 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.48 1i3s n LYS 256 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1i3s n SER 257 N 0.49 -1.67 -3.79 3.14 7.64 -1.26 -5.04 113.62 113.13 1i3s n SER 257 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1i3s n SER 257 Cb 0.00 -0.84 -0.12 0.00 -1.01 0.00 0.00 64.21 62.25 1i3s n SER 257 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1i3s s GLU 258 N -0.53 2.11 0.21 1.43 2.02 -1.22 -4.97 118.70 117.76 1i3s s GLU 258 Ca 0.00 -3.07 -0.30 0.00 0.02 0.00 0.00 54.97 51.62 1i3s s GLU 258 Cb 0.00 -2.98 -0.08 0.00 0.10 0.00 0.00 34.13 31.17 1i3s s GLU 258 CO 0.00 -1.31 0.95 0.15 0.02 0.00 0.00 175.26 175.07 1i3s s LYS 259 N -1.11 4.82 -0.11 1.61 1.02 -1.26 -2.93 119.74 121.78 1i3s s LYS 259 Ca 0.26 1.49 0.03 0.00 0.02 0.00 0.00 55.97 57.77 1i3s s LYS 259 Cb -0.03 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1i3s s LYS 259 CO -0.17 0.45 -0.22 0.71 -0.92 0.00 0.00 175.35 175.21 1i3s s TYR 260 N -0.93 2.44 -0.54 3.18 4.12 0.47 -4.98 117.35 121.11 1i3s s TYR 260 Ca 0.42 -1.09 -0.13 0.00 0.02 0.00 0.00 57.07 56.30 1i3s s TYR 260 Cb -0.26 -1.66 0.13 0.00 -1.52 0.00 0.00 41.96 38.66 1i3s s TYR 260 CO 0.32 -0.47 0.46 -0.80 0.02 0.00 0.00 175.55 175.08 1i3s s ASN 261 N 0.58 6.03 0.58 2.29 -0.87 -1.26 -1.20 114.94 121.08 1i3s s ASN 261 Ca -0.14 -1.95 -0.15 0.00 -1.57 0.00 0.00 52.86 49.05 1i3s s ASN 261 Cb -0.17 -2.12 -0.05 0.00 -0.02 0.00 0.00 41.25 38.89 1i3s s ASN 261 CO 0.04 -0.76 1.03 0.26 -2.57 0.00 0.00 177.10 175.10 1i3s s TRP 262 N 1.34 3.20 -0.38 2.20 0.52 0.11 -4.88 118.94 121.05 1i3s s TRP 262 Ca 0.06 1.47 0.05 0.00 0.02 0.00 0.00 56.10 57.70 1i3s s TRP 262 Cb -0.27 -2.90 0.17 0.00 -1.15 0.00 0.00 33.47 29.32 1i3s s TRP 262 CO 0.00 -0.84 0.49 0.21 0.02 0.00 0.00 176.95 176.83 1i3s s LYS 263 N -4.25 0.69 0.21 4.98 2.20 -1.06 -3.04 119.74 119.48 1i3s s LYS 263 Ca 0.61 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 1i3s s LYS 263 Cb -0.13 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.88 1i3s s LYS 263 CO 0.38 -1.17 0.00 0.44 -0.36 0.00 0.00 175.35 174.64 1i3s n ILE 264 N 4.46 0.00 -4.08 5.43 -5.35 -0.41 -0.36 119.36 119.04 1i3s n ILE 264 Ca 0.10 -0.98 -0.29 0.00 -0.27 0.00 0.00 62.75 61.31 1i3s n ILE 264 Cb 0.51 0.19 -0.04 0.00 -1.74 0.00 0.00 39.64 38.55 1i3s n ILE 264 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1i3s n PHE 265 N -0.53 -1.58 -2.58 4.28 3.72 -1.26 -0.39 117.46 119.11 1i3s n PHE 265 Ca -0.09 0.73 -0.43 0.00 -0.05 0.00 0.00 57.45 57.62 1i3s n PHE 265 Cb 0.26 -3.39 -0.02 0.00 -0.94 0.00 0.00 39.48 35.40 1i3s n PHE 265 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3s s ASN 267 N 1.39 0.27 0.00 0.00 0.01 -0.79 -4.93 114.94 110.88 1i3s s ASN 267 Ca 0.49 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.63 1i3s s ASN 267 Cb -0.19 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1i3s s ASN 267 CO 0.13 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 1i3s n GLY 268 N 3.90 -0.57 3.13 0.66 0.00 -0.55 -1.47 105.19 110.29 1i3s n GLY 268 Ca -0.24 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1i3s n GLY 268 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i3s s PHE 269 N -4.00 1.69 -0.09 1.61 0.40 0.67 -1.45 117.98 116.80 1i3s s PHE 269 Ca 0.00 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1i3s s PHE 269 Cb 0.00 -1.14 0.01 0.00 0.51 0.00 0.00 43.02 42.40 1i3s s PHE 269 CO 0.00 -0.17 -0.19 0.42 0.70 0.00 0.00 175.22 175.98 1i3s s ILE 270 N 0.07 1.66 -0.11 0.64 1.01 -0.22 -1.21 121.20 123.03 1i3s s ILE 270 Ca -0.04 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1i3s s ILE 270 Cb -0.12 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1i3s s ILE 270 CO 0.02 0.47 -0.13 -0.47 0.00 0.00 0.00 174.94 174.83 1i3s s TYR 271 N 0.57 1.84 -0.67 3.97 5.04 0.10 -0.52 117.35 127.69 1i3s s TYR 271 Ca -0.15 -0.88 -0.23 0.00 -2.44 0.00 0.00 57.07 53.37 1i3s s TYR 271 Cb -0.17 -1.36 0.06 0.00 0.35 0.00 0.00 41.96 40.84 1i3s s TYR 271 CO 0.05 -0.48 1.02 0.34 -1.34 0.00 0.00 175.55 175.14 1i3s s ASP 272 N 1.13 6.18 0.51 4.32 3.68 0.21 0.41 116.67 133.11 1i3s s ASP 272 Ca -0.04 -0.85 0.20 0.00 2.13 0.00 0.00 52.55 53.99 1i3s s ASP 272 Cb -0.14 -2.45 1.29 0.00 -1.45 0.00 0.00 42.92 40.17 1i3s s ASP 272 CO -0.03 -1.51 2.04 0.11 0.13 0.00 0.00 175.17 175.91 1i3s h LYS 273 N 9.64 0.07 0.26 4.34 1.57 -1.35 0.23 116.57 131.34 1i3s h LYS 273 Ca -0.29 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1i3s h LYS 273 Cb 1.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1i3s h LYS 273 CO 1.20 0.05 -0.12 0.87 -0.57 0.00 0.00 179.45 180.87 1i3s h LYS 274 N 0.07 -0.33 -0.08 3.15 1.57 -1.91 -3.34 116.57 115.71 1i3s h LYS 274 Ca 0.18 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1i3s h LYS 274 Cb 0.62 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1i3s h LYS 274 CO -0.01 -0.04 0.00 -1.13 -0.57 0.00 0.00 179.45 177.69 1i3s n SER 275 N -5.01 1.80 -3.34 0.86 3.41 -1.16 -4.94 113.62 105.25 1i3s n SER 275 Ca -0.07 -1.64 -0.20 0.00 -0.26 0.00 0.00 58.87 56.70 1i3s n SER 275 Cb 0.23 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.20 1i3s n SER 275 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i3s n LYS 276 N 0.40 -7.07 -4.43 4.33 4.76 0.79 -4.56 118.16 112.38 1i3s n LYS 276 Ca 0.18 0.77 -0.34 0.00 -2.87 0.00 0.00 58.31 56.05 1i3s n LYS 276 Cb 0.38 -5.64 -0.10 0.00 -1.84 0.00 0.00 35.03 27.84 1i3s n LYS 276 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1i3s s VAL 277 N -3.31 4.13 -0.12 -0.18 1.01 -1.03 -2.11 120.40 118.79 1i3s s VAL 277 Ca 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1i3s s VAL 277 Cb -0.17 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1i3s s VAL 277 CO 0.68 0.59 -0.09 -0.22 0.00 0.00 0.00 175.10 176.05 1i3s s LEU 278 N -0.68 2.98 -0.15 3.92 2.96 0.17 -0.62 118.68 127.27 1i3s s LEU 278 Ca 0.11 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1i3s s LEU 278 Cb -0.12 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1i3s s LEU 278 CO 0.02 0.21 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.81 1i3s s TYR 279 N 0.10 2.80 -0.07 5.38 1.51 0.32 -1.23 117.35 126.15 1i3s s TYR 279 Ca -0.03 -0.86 0.03 0.00 -1.01 0.00 0.00 57.07 55.19 1i3s s TYR 279 Cb -0.14 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1i3s s TYR 279 CO 0.04 -0.36 -0.15 0.08 -1.11 0.00 0.00 175.55 174.05 1i3s s VAL 280 N 0.63 1.36 -0.18 0.71 1.01 -0.43 -1.06 120.40 122.44 1i3s s VAL 280 Ca -0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1i3s s VAL 280 Cb -0.16 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1i3s s VAL 280 CO 0.03 0.40 0.01 -0.75 0.00 0.00 0.00 175.10 174.79 1i3s s LYS 281 N 0.61 0.88 -0.59 2.72 2.20 -0.53 -0.15 119.74 124.88 1i3s s LYS 281 Ca -0.15 -0.45 0.05 0.00 -0.36 0.00 0.00 55.97 55.05 1i3s s LYS 281 Cb -0.16 -2.04 0.17 0.00 -1.51 0.00 0.00 37.83 34.29 1i3s s LYS 281 CO 0.05 -0.57 0.43 -0.51 -0.36 0.00 0.00 175.35 174.39 1i3s s LEU 282 N 1.78 3.57 -0.49 5.43 1.43 0.04 -1.48 118.68 128.95 1i3s s LEU 282 Ca -0.01 -3.54 -0.12 0.00 -1.03 0.00 0.00 54.13 49.43 1i3s s LEU 282 Cb -0.16 -1.20 0.12 0.00 0.03 0.00 0.00 46.19 44.97 1i3s s LEU 282 CO -0.07 -0.12 0.39 -2.28 0.23 0.00 0.00 176.35 174.49 1i3s s HIS 283 N -0.87 3.35 -1.06 0.29 2.46 -1.26 -0.99 115.29 117.20 1i3s s HIS 283 Ca 0.27 -1.60 -0.04 0.00 0.47 0.00 0.00 55.06 54.16 1i3s s HIS 283 Cb -0.02 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 28.92 1i3s s HIS 283 CO -0.17 -0.98 0.91 0.09 -2.47 0.00 0.00 174.74 172.12 1i3s n ASN 284 N 5.03 -4.09 -4.51 9.88 3.02 -0.35 -4.90 115.26 119.35 1i3s n ASN 284 Ca -0.10 -0.47 -0.28 0.00 -0.03 0.00 0.00 54.58 53.69 1i3s n ASN 284 Cb 0.41 -4.25 -0.11 0.00 -0.61 0.00 0.00 39.78 35.22 1i3s n ASN 284 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1i3s s VAL 285 N -3.28 2.94 0.06 2.41 -7.23 -1.16 -4.11 120.40 110.04 1i3s s VAL 285 Ca 0.28 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 1i3s s VAL 285 Cb -0.12 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1i3s s VAL 285 CO 0.60 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.31 1i3s s THR 286 N -1.41 2.76 0.11 5.32 2.01 -1.05 -0.29 115.64 123.09 1i3s s THR 286 Ca 0.21 -1.28 -0.15 0.00 0.31 0.00 0.00 61.69 60.78 1i3s s THR 286 Cb -0.10 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1i3s s THR 286 CO 0.12 0.28 0.35 -0.55 -0.69 0.00 0.00 174.62 174.13 1i3s s SER 287 N -1.61 -0.16 0.08 3.53 0.15 0.44 -1.17 113.70 114.95 1i3s s SER 287 Ca 0.15 -0.35 0.23 0.00 0.70 0.00 0.00 55.95 56.68 1i3s s SER 287 Cb -0.10 0.44 0.06 0.00 -1.71 0.00 0.00 66.02 64.70 1i3s s SER 287 CO 0.06 -0.80 1.04 0.00 1.20 0.00 0.00 173.24 174.74 1i3s n ALA 288 N -0.09 3.17 -2.14 5.45 0.00 -1.26 -0.14 120.51 125.51 1i3s n ALA 288 Ca -0.16 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.50 1i3s n ALA 288 Cb 0.63 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1i3s n ALA 288 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i3s s LEU 289 N -4.21 4.42 -0.49 0.00 1.43 -1.26 -4.84 118.68 113.73 1i3s s LEU 289 Ca 0.03 2.20 0.06 0.00 -1.03 0.00 0.00 54.13 55.39 1i3s s LEU 289 Cb 0.14 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.97 1i3s s LEU 289 CO 0.79 -0.43 0.50 -3.20 0.23 0.00 0.00 176.35 174.24 1i3s n ASN 290 N 2.94 1.03 -4.24 2.29 5.15 -1.26 -4.84 115.26 116.33 1i3s n ASN 290 Ca 0.06 -2.80 -0.13 0.00 -0.60 0.00 0.00 54.58 51.11 1i3s n ASN 290 Cb 0.45 -0.64 -0.10 0.00 -0.53 0.00 0.00 39.78 38.96 1i3s n ASN 290 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1i3s s LYS 291 N -1.04 1.19 0.46 1.20 -2.85 -1.26 -4.68 119.74 112.75 1i3s s LYS 291 Ca 0.34 -1.61 -0.02 0.00 -1.00 0.00 0.00 55.97 53.68 1i3s s LYS 291 Cb 0.09 -0.07 -0.02 0.00 -2.06 0.00 0.00 37.83 35.77 1i3s s LYS 291 CO -0.13 -0.25 0.71 -0.80 0.10 0.00 0.00 175.35 174.97 1i3s s ASN 292 N -3.19 6.01 -0.30 0.03 0.01 -1.26 -3.30 114.94 112.94 1i3s s ASN 292 Ca 0.31 0.57 -0.10 0.00 -0.71 0.00 0.00 52.86 52.93 1i3s s ASN 292 Cb 0.07 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.85 1i3s s ASN 292 CO 0.08 -0.64 0.15 -0.69 -1.51 0.00 0.00 177.10 174.50 1i3s s VAL 293 N -2.62 4.64 -0.32 1.60 1.01 -1.04 -4.95 120.40 118.72 1i3s s VAL 293 Ca 0.47 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1i3s s VAL 293 Cb -0.10 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1i3s s VAL 293 CO 0.41 0.10 0.08 -0.63 0.00 0.00 0.00 175.10 175.06 1i3s s ILE 294 N 1.63 3.72 0.46 2.22 1.01 -1.26 -0.53 121.20 128.44 1i3s s ILE 294 Ca 0.05 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 59.72 1i3s s ILE 294 Cb -0.17 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1i3s s ILE 294 CO 0.06 -0.09 0.25 -0.76 0.00 0.00 0.00 174.94 174.40 1i3s s LEU 295 N 1.41 2.94 -0.02 2.97 1.43 -0.40 -4.96 118.68 122.05 1i3s s LEU 295 Ca -0.01 -1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 51.91 1i3s s LEU 295 Cb -0.19 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1i3s s LEU 295 CO 0.02 -0.75 0.16 0.20 0.23 0.00 0.00 176.35 176.21 1i3s s ASN 296 N -4.03 6.26 0.50 2.29 0.01 -1.26 -1.34 114.94 117.36 1i3s s ASN 296 Ca 0.36 0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 52.82 1i3s s ASN 296 Cb 0.01 -1.95 -0.00 0.00 0.41 0.00 0.00 41.25 39.72 1i3s s ASN 296 CO 0.21 0.28 0.76 0.42 -1.51 0.00 0.00 177.10 177.26 1i3s s THR 297 N -1.27 4.03 0.00 1.60 -4.23 -0.07 0.47 115.64 116.17 1i3s s THR 297 Ca 0.25 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1i3s s THR 297 Cb -0.12 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1i3s s THR 297 CO 0.16 -0.45 0.00 -0.38 -0.54 0.00 0.00 174.62 173.41 1i3s n ILE 298 N -2.27 0.00 0.00 2.99 5.41 -0.70 -4.70 119.36 120.09 1i3s n ILE 298 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1i3s n ILE 298 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 1i3s n ILE 298 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84