#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 s GLY 5 N 0.00 0.60 -0.14 -1.41 0.00 -1.26 -4.55 107.32 100.55 1t60 s GLY 5 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1t60 s GLY 5 CO 0.00 1.00 -0.14 -1.36 0.00 0.00 0.00 173.10 172.60 1t60 s PHE 6 N 1.84 2.79 0.36 1.90 0.40 -0.58 -4.89 117.98 119.80 1t60 s PHE 6 Ca 0.04 -0.83 -0.25 0.00 -0.60 0.00 0.00 56.93 55.29 1t60 s PHE 6 Cb -0.12 -1.86 -0.09 0.00 0.51 0.00 0.00 43.02 41.45 1t60 s PHE 6 CO -0.06 -0.34 1.04 -0.51 0.70 0.00 0.00 175.22 176.05 1t60 s LEU 7 N 0.57 4.26 -0.03 -0.37 1.43 -1.26 0.81 118.68 124.08 1t60 s LEU 7 Ca -0.09 2.05 -0.01 0.00 -1.03 0.00 0.00 54.13 55.05 1t60 s LEU 7 Cb -0.16 -4.04 0.03 0.00 0.03 0.00 0.00 46.19 42.05 1t60 s LEU 7 CO 0.03 -0.35 0.05 0.54 0.23 0.00 0.00 176.35 176.85 1t60 s VAL 8 N -1.55 -0.08 -0.10 -1.59 0.11 0.99 -4.88 120.40 113.30 1t60 s VAL 8 Ca 0.54 0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.86 1t60 s VAL 8 Cb -0.24 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1t60 s VAL 8 CO 0.30 0.13 0.03 -0.89 -3.33 0.00 0.00 175.10 171.33 1t60 s THR 9 N 1.53 4.51 0.01 5.04 2.01 -1.22 -0.87 115.64 126.64 1t60 s THR 9 Ca -0.03 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1t60 s THR 9 Cb -0.13 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 1t60 s THR 9 CO -0.03 0.59 -0.17 -0.60 -0.69 0.00 0.00 174.62 173.72 1t60 s ARG 10 N -0.78 1.32 -0.17 4.92 3.52 -0.48 -4.78 118.95 122.50 1t60 s ARG 10 Ca 0.12 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1t60 s ARG 10 Cb -0.12 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 1t60 s ARG 10 CO 0.02 0.35 -0.16 -1.01 -0.81 0.00 0.00 175.30 173.70 1t60 s HIS 11 N -0.55 2.79 0.21 5.12 3.76 -1.26 -0.69 115.29 124.67 1t60 s HIS 11 Ca 0.06 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 1t60 s HIS 11 Cb -0.07 -1.91 0.16 0.00 1.11 0.00 0.00 32.58 31.86 1t60 s HIS 11 CO 0.00 -0.56 1.52 0.66 -0.85 0.00 0.00 174.74 175.50 1t60 h SER 12 N 7.53 0.46 -0.70 1.40 4.64 -1.29 -3.46 113.55 122.13 1t60 h SER 12 Ca -0.36 -0.26 -0.18 0.00 -0.47 0.00 0.00 61.79 60.51 1t60 h SER 12 Cb 1.18 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1t60 h SER 12 CO 0.59 0.95 -0.19 0.00 -0.87 0.00 0.00 176.83 177.31 1t60 n GLN 13 N -3.91 -0.65 -4.12 4.77 6.02 -1.26 -4.95 117.38 113.28 1t60 n GLN 13 Ca -0.03 0.69 -0.16 0.00 -0.01 0.00 0.00 57.00 57.50 1t60 n GLN 13 Cb 0.63 -4.61 -0.04 0.00 1.02 0.00 0.00 30.24 27.23 1t60 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 14 N -2.37 0.00 -1.55 5.09 -4.23 -1.26 -4.12 115.64 107.20 1t60 s THR 14 Ca 0.00 -1.66 0.29 0.00 -1.18 0.00 0.00 61.69 59.15 1t60 s THR 14 Cb 0.00 -2.65 0.49 0.00 1.34 0.00 0.00 72.50 71.69 1t60 s THR 14 CO 0.00 0.00 1.95 0.35 -0.54 0.00 0.00 174.62 176.38 1t60 n THR 15 N -0.59 0.00 -3.23 3.99 -2.24 -1.26 -1.73 114.28 109.22 1t60 n THR 15 Ca 0.02 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 1t60 n THR 15 Cb 0.61 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 1t60 n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t60 s ASP 16 N -2.51 7.00 0.17 3.42 1.01 -1.26 -4.80 116.67 119.69 1t60 s ASP 16 Ca 0.29 1.27 -0.30 0.00 0.71 0.00 0.00 52.55 54.52 1t60 s ASP 16 Cb 0.20 -2.36 -0.08 0.00 1.01 0.00 0.00 42.92 41.69 1t60 s ASP 16 CO 0.47 0.13 1.33 -1.81 0.21 0.00 0.00 175.17 175.49 1t60 s ASP 17 N -1.51 6.88 0.69 0.27 1.01 -1.26 -4.53 116.67 118.22 1t60 s ASP 17 Ca 0.37 2.36 -0.11 0.00 0.71 0.00 0.00 52.55 55.89 1t60 s ASP 17 Cb -0.17 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.16 1t60 s ASP 17 CO 0.20 -0.56 1.06 -2.16 0.21 0.00 0.00 175.17 173.92 1t60 s PRO 18 N 0.28 2.99 -0.02 8.23 0.04 -1.26 -5.02 135.00 140.23 1t60 s PRO 18 Ca 0.59 0.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1t60 s PRO 18 Cb -0.36 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 1t60 s PRO 18 CO 0.36 -1.02 0.33 -0.65 0.04 0.00 0.00 177.00 176.06 1t60 s GLN 19 N -5.14 3.75 0.41 4.56 -0.21 -1.26 -4.71 119.66 117.05 1t60 s GLN 19 Ca 0.58 0.21 -0.26 0.00 0.02 0.00 0.00 55.36 55.90 1t60 s GLN 19 Cb -0.13 -3.18 -0.09 0.00 1.00 0.00 0.00 33.01 30.62 1t60 s GLN 19 CO 0.54 0.70 1.35 0.00 -2.12 0.00 0.00 175.29 175.76 1t60 s PRO 21 N -2.25 2.28 0.01 0.00 0.04 -1.26 -4.86 135.00 128.95 1t60 s PRO 21 Ca 0.57 1.86 -0.35 0.00 0.04 0.00 0.00 61.00 63.12 1t60 s PRO 21 Cb -0.40 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.16 1t60 s PRO 21 CO 0.52 -1.76 1.69 -0.35 0.04 0.00 0.00 177.00 177.15 1t60 n PRO 22 N -2.44 1.96 0.00 0.56 -0.04 -1.26 -2.01 135.00 131.77 1t60 n PRO 22 Ca 0.14 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1t60 n PRO 22 Cb 0.50 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1t60 n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t60 n GLY 23 N 3.79 0.61 3.32 0.55 0.00 -1.26 -5.01 105.19 107.18 1t60 n GLY 23 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1t60 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 24 N -2.00 1.76 0.04 2.61 -4.23 -0.85 -4.33 115.64 108.63 1t60 s THR 24 Ca 0.00 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1t60 s THR 24 Cb 0.00 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1t60 s THR 24 CO 0.00 -0.30 -0.17 -1.59 -0.54 0.00 0.00 174.62 172.02 1t60 s LYS 25 N -2.71 2.14 0.39 3.99 -2.85 -0.76 -4.73 119.74 115.21 1t60 s LYS 25 Ca 0.14 -0.95 -0.26 0.00 -1.00 0.00 0.00 55.97 53.91 1t60 s LYS 25 Cb -0.06 -2.23 -0.09 0.00 -2.06 0.00 0.00 37.83 33.39 1t60 s LYS 25 CO 0.06 0.55 1.23 -1.50 0.10 0.00 0.00 175.35 175.79 1t60 s ILE 26 N -0.93 2.92 -0.10 3.79 1.10 -1.26 -0.44 121.20 126.28 1t60 s ILE 26 Ca 0.15 0.82 -0.02 0.00 -0.51 0.00 0.00 60.65 61.09 1t60 s ILE 26 Cb -0.11 -3.48 -0.05 0.00 0.15 0.00 0.00 42.46 38.98 1t60 s ILE 26 CO 0.06 0.11 -0.10 0.18 -2.11 0.00 0.00 174.94 173.07 1t60 n LEU 27 N 0.23 1.88 -3.60 8.50 4.77 0.43 -4.84 117.00 124.36 1t60 n LEU 27 Ca 0.03 0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1t60 n LEU 27 Cb 0.45 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1t60 n LEU 27 CO 0.54 0.44 1.00 -0.72 -1.33 0.00 0.00 177.39 177.31 1t60 s TYR 28 N -2.18 -0.12 0.35 -1.77 -0.85 -1.18 -5.02 117.35 106.57 1t60 s TYR 28 Ca -0.13 0.06 0.08 0.00 -0.52 0.00 0.00 57.07 56.56 1t60 s TYR 28 Cb 0.04 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 1t60 s TYR 28 CO 0.20 -0.24 0.21 -1.01 -1.52 0.00 0.00 175.55 173.18 1t60 s HIS 29 N -2.46 2.77 0.00 -3.49 3.76 -1.26 -0.70 115.29 113.91 1t60 s HIS 29 Ca 0.10 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1t60 s HIS 29 Cb -0.00 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.96 1t60 s HIS 29 CO -0.05 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 1t60 n GLY 30 N -1.25 1.61 3.73 -2.22 0.00 -0.68 -4.54 105.19 101.83 1t60 n GLY 30 Ca -0.02 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1t60 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 31 N -3.39 3.21 -0.72 1.61 1.51 0.12 -0.92 117.35 118.77 1t60 s TYR 31 Ca 0.00 0.20 -0.27 0.00 -1.01 0.00 0.00 57.07 56.00 1t60 s TYR 31 Cb 0.00 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 1t60 s TYR 31 CO 0.00 0.51 1.50 -1.12 -1.11 0.00 0.00 175.55 175.34 1t60 s SER 32 N -1.29 5.85 -0.23 2.29 0.01 -0.48 -1.71 113.70 118.15 1t60 s SER 32 Ca 0.18 -0.25 -0.21 0.00 1.31 0.00 0.00 55.95 56.98 1t60 s SER 32 Cb -0.12 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1t60 s SER 32 CO 0.07 -2.03 0.64 -0.22 0.41 0.00 0.00 173.24 172.11 1t60 s LEU 33 N 6.94 4.10 -0.16 2.44 2.96 -0.15 -1.22 118.68 133.60 1t60 s LEU 33 Ca 0.47 0.78 -0.16 0.00 -0.22 0.00 0.00 54.13 55.01 1t60 s LEU 33 Cb -0.09 -2.89 -0.13 0.00 0.50 0.00 0.00 46.19 43.58 1t60 s LEU 33 CO 0.15 -0.33 0.15 0.25 -1.32 0.00 0.00 176.35 175.25 1t60 h LEU 34 N 8.59 0.00 -7.45 -0.68 5.85 -1.01 -3.41 115.31 117.20 1t60 h LEU 34 Ca -0.29 -0.36 0.23 0.00 0.84 0.00 0.00 57.88 58.30 1t60 h LEU 34 Cb 1.13 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 1t60 h LEU 34 CO 0.78 1.08 0.63 -0.72 -0.34 0.00 0.00 178.44 179.86 1t60 s TYR 35 N -2.21 -0.11 0.26 1.25 1.13 -0.95 -2.44 117.35 114.30 1t60 s TYR 35 Ca -0.20 -0.11 0.06 0.00 -1.41 0.00 0.00 57.07 55.42 1t60 s TYR 35 Cb 0.03 0.60 -0.06 0.00 -1.10 0.00 0.00 41.96 41.43 1t60 s TYR 35 CO 0.42 -0.59 -0.05 0.14 -2.51 0.00 0.00 175.55 172.96 1t60 s VAL 36 N -2.92 1.53 -0.13 -3.49 -7.23 -0.24 0.07 120.40 108.00 1t60 s VAL 36 Ca 0.13 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1t60 s VAL 36 Cb 0.01 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.60 1t60 s VAL 36 CO -0.01 -0.33 0.07 -1.58 -0.31 0.00 0.00 175.10 172.94 1t60 s GLN 37 N -3.75 0.15 -0.07 4.82 0.74 -0.60 -0.43 119.66 120.53 1t60 s GLN 37 Ca 0.29 0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.76 1t60 s GLN 37 Cb 0.04 -1.41 0.00 0.00 1.10 0.00 0.00 33.01 32.74 1t60 s GLN 37 CO 0.11 -0.53 -0.19 0.20 -0.55 0.00 0.00 175.29 174.33 1t60 s GLY 38 N 2.09 1.05 -1.54 2.59 0.00 -0.28 -1.29 107.32 109.94 1t60 s GLY 38 Ca 0.03 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 1t60 s GLY 38 CO -0.07 -0.25 0.77 -2.01 0.00 0.00 0.00 173.10 171.55 1t60 n ASN 39 N 3.42 -2.99 -0.69 1.64 5.15 -1.26 -1.39 115.26 119.13 1t60 n ASN 39 Ca -0.20 -0.91 -0.09 0.00 -0.60 0.00 0.00 54.58 52.79 1t60 n ASN 39 Cb 0.52 -3.35 -0.04 0.00 -0.53 0.00 0.00 39.78 36.38 1t60 n ASN 39 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1t60 n GLU 40 N -4.49 -1.06 -4.80 1.20 1.02 -1.26 -5.00 120.64 106.25 1t60 n GLU 40 Ca -0.06 0.76 -0.33 0.00 -0.02 0.00 0.00 57.16 57.52 1t60 n GLU 40 Cb 0.56 -4.80 -0.16 0.00 -0.02 0.00 0.00 31.44 27.02 1t60 n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1t60 s ARG 41 N -2.53 3.08 0.29 3.49 3.52 -0.49 -5.03 118.95 121.28 1t60 s ARG 41 Ca 0.00 -0.83 -0.21 0.00 -0.13 0.00 0.00 55.73 54.56 1t60 s ARG 41 Cb 0.00 -2.44 -0.09 0.00 -1.56 0.00 0.00 34.95 30.86 1t60 s ARG 41 CO 0.00 0.05 0.82 0.00 -0.81 0.00 0.00 175.30 175.36 1t60 s ALA 42 N 0.66 3.30 -0.16 6.12 0.00 -1.26 -1.12 121.76 129.30 1t60 s ALA 42 Ca -0.10 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1t60 s ALA 42 Cb -0.16 -2.95 0.08 0.00 0.00 0.00 0.00 23.12 20.08 1t60 s ALA 42 CO 0.02 0.26 0.23 -1.58 0.00 0.00 0.00 175.76 174.68 1t60 s HIS 43 N -1.69 -0.31 0.39 0.00 2.46 0.43 -4.96 115.29 111.60 1t60 s HIS 43 Ca 0.49 0.54 0.08 0.00 0.47 0.00 0.00 55.06 56.64 1t60 s HIS 43 Cb -0.15 -0.23 -0.01 0.00 -0.13 0.00 0.00 32.58 32.05 1t60 s HIS 43 CO 0.20 -0.46 0.43 0.20 -2.47 0.00 0.00 174.74 172.64 1t60 s GLY 44 N 2.35 1.93 -0.18 1.59 0.00 -1.26 -1.08 107.32 110.68 1t60 s GLY 44 Ca 0.05 -1.72 0.01 0.00 0.00 0.00 0.00 44.72 43.06 1t60 s GLY 44 CO -0.10 -1.57 -0.20 1.20 0.00 0.00 0.00 173.10 172.44 1t60 s GLN 45 N -4.17 3.01 0.00 2.90 -1.52 -1.02 -4.98 119.66 113.87 1t60 s GLN 45 Ca 0.48 -0.83 -0.35 0.00 -1.95 0.00 0.00 55.36 52.71 1t60 s GLN 45 Cb -0.07 -2.56 -0.14 0.00 -0.22 0.00 0.00 33.01 30.02 1t60 s GLN 45 CO 0.30 -0.18 1.68 -3.47 -0.25 0.00 0.00 175.29 173.36 1t60 n ASP 46 N 4.55 2.95 0.15 5.90 -0.08 -1.26 -4.63 116.55 124.13 1t60 n ASP 46 Ca -0.21 1.05 0.10 0.00 -1.51 0.00 0.00 54.79 54.22 1t60 n ASP 46 Cb 0.50 -1.34 0.53 0.00 2.34 0.00 0.00 41.12 43.15 1t60 n ASP 46 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1t60 n LEU 47 N 4.75 0.50 0.01 -2.67 4.77 -1.26 -0.68 117.00 122.42 1t60 n LEU 47 Ca 0.20 0.73 0.12 0.00 -0.03 0.00 0.00 56.01 57.04 1t60 n LEU 47 Cb 0.26 -0.79 0.32 0.00 -2.33 0.00 0.00 43.42 40.88 1t60 n LEU 47 CO 0.69 -0.90 0.56 0.61 -1.33 0.00 0.00 177.39 177.02 1t60 n GLY 48 N -1.31 -1.33 3.87 -0.72 0.00 -1.26 -4.40 105.19 100.04 1t60 n GLY 48 Ca -0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 1t60 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 49 N -3.02 4.83 -0.14 2.61 -4.23 0.15 -3.41 115.64 112.43 1t60 s THR 49 Ca 0.11 -1.04 0.26 0.00 -1.18 0.00 0.00 61.69 59.84 1t60 s THR 49 Cb 0.17 -3.54 0.27 0.00 1.34 0.00 0.00 72.50 70.75 1t60 s THR 49 CO 0.66 -0.20 1.80 0.00 -0.54 0.00 0.00 174.62 176.34 1t60 h ALA 50 N 1.89 1.00 0.00 3.99 0.00 -1.90 -2.34 119.26 121.89 1t60 h ALA 50 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1t60 h ALA 50 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t60 h ALA 50 CO 0.63 0.00 -0.00 0.78 0.00 0.00 0.00 179.25 180.66 1t60 h GLY 51 N 0.89 0.00 -2.09 0.00 0.00 -1.94 -0.95 103.07 98.98 1t60 h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 52 N -3.11 3.12 -3.70 0.19 3.41 -0.88 -4.67 113.62 107.99 1t60 n SER 52 Ca -0.01 -2.24 -0.30 0.00 -0.26 0.00 0.00 58.87 56.06 1t60 n SER 52 Cb 0.17 -0.44 -0.14 0.00 -0.26 0.00 0.00 64.21 63.54 1t60 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 54 N 1.25 4.39 0.43 0.00 1.43 -0.70 -4.79 118.68 120.70 1t60 s LEU 54 Ca 0.13 0.46 0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1t60 s LEU 54 Cb -0.20 -2.13 0.94 0.00 0.03 0.00 0.00 46.19 44.83 1t60 s LEU 54 CO -0.17 0.39 1.98 0.03 0.23 0.00 0.00 176.35 178.82 1t60 h ARG 55 N 4.86 0.11 -6.19 1.70 3.08 -1.88 0.34 114.38 116.39 1t60 h ARG 55 Ca -0.54 -0.02 -0.65 0.00 0.07 0.00 0.00 59.98 58.83 1t60 h ARG 55 Cb 1.23 -0.02 -0.30 0.00 0.08 0.00 0.00 29.97 30.96 1t60 h ARG 55 CO 0.59 0.24 -0.87 0.15 -1.07 0.00 0.00 179.97 179.01 1t60 s LYS 56 N -4.74 2.00 0.12 0.04 1.02 -1.26 -4.72 119.74 112.19 1t60 s LYS 56 Ca -0.05 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 1t60 s LYS 56 Cb 0.16 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 1t60 s LYS 56 CO 0.71 0.46 0.29 0.12 -0.92 0.00 0.00 175.35 176.01 1t60 s PHE 57 N -0.44 3.50 -0.19 3.18 5.36 -1.26 -4.89 117.98 123.23 1t60 s PHE 57 Ca 0.06 0.31 -0.28 0.00 -0.96 0.00 0.00 56.93 56.05 1t60 s PHE 57 Cb -0.10 -1.81 0.12 0.00 -0.34 0.00 0.00 43.02 40.89 1t60 s PHE 57 CO 0.00 0.51 0.96 0.45 -1.46 0.00 0.00 175.22 175.68 1t60 s SER 58 N -2.73 -0.45 0.37 6.13 0.15 -1.26 -5.01 113.70 110.91 1t60 s SER 58 Ca 0.37 0.65 0.27 0.00 0.70 0.00 0.00 55.95 57.94 1t60 s SER 58 Cb -0.12 0.58 1.11 0.00 -1.71 0.00 0.00 66.02 65.88 1t60 s SER 58 CO 0.28 -0.30 1.81 0.71 1.20 0.00 0.00 173.24 176.94 1t60 h THR 59 N 3.03 0.00 -2.02 6.45 1.35 -1.94 -3.33 112.91 116.45 1t60 h THR 59 Ca -0.23 -0.35 -0.49 0.00 -0.55 0.00 0.00 66.41 64.79 1t60 h THR 59 Cb 1.16 1.20 -0.33 0.00 -1.73 0.00 0.00 68.15 68.45 1t60 h THR 59 CO 0.24 0.00 -0.87 0.80 -0.25 0.00 0.00 175.52 175.44 1t60 n MET 60 N -2.56 0.28 0.00 4.72 1.56 -1.26 -4.11 117.12 115.74 1t60 n MET 60 Ca 0.02 -2.90 0.00 0.00 -0.27 0.00 0.00 57.70 54.54 1t60 n MET 60 Cb 0.27 -1.61 0.00 0.00 2.15 0.00 0.00 33.22 34.03 1t60 n MET 60 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1t60 n PRO 61 N 2.80 0.79 -4.04 2.12 -0.04 -1.25 -4.85 135.00 130.53 1t60 n PRO 61 Ca 0.27 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1t60 n PRO 61 Cb 0.50 -1.03 -0.07 0.00 -0.04 0.00 0.00 33.50 32.86 1t60 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 62 N -1.92 0.58 0.23 0.54 -0.71 -1.26 -5.09 117.98 110.35 1t60 s PHE 62 Ca 0.00 -0.91 0.00 0.00 -1.04 0.00 0.00 56.93 54.98 1t60 s PHE 62 Cb 0.00 -0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 1t60 s PHE 62 CO 0.00 -0.78 0.11 -0.48 -1.34 0.00 0.00 175.22 172.73 1t60 s LEU 63 N -3.03 1.47 0.06 -1.99 0.05 -1.26 -4.54 118.68 109.43 1t60 s LEU 63 Ca 0.24 -1.38 0.05 0.00 0.05 0.00 0.00 54.13 53.09 1t60 s LEU 63 Cb 0.03 0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 44.30 1t60 s LEU 63 CO 0.06 -0.77 -0.15 0.72 -0.55 0.00 0.00 176.35 175.66 1t60 s PHE 64 N -3.91 1.26 0.01 3.48 -0.12 -0.96 -4.99 117.98 112.75 1t60 s PHE 64 Ca 0.38 -0.42 0.07 0.00 -0.05 0.00 0.00 56.93 56.90 1t60 s PHE 64 Cb 0.07 -0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 41.73 1t60 s PHE 64 CO 0.13 0.06 -0.21 0.00 -0.05 0.00 0.00 175.22 175.14 1t60 n ASN 66 N 2.31 1.65 0.29 0.00 0.23 -0.32 -4.97 115.26 114.46 1t60 n ASN 66 Ca -0.16 -2.12 0.19 0.00 -0.53 0.00 0.00 54.58 51.96 1t60 n ASN 66 Cb 0.53 -0.22 0.83 0.00 -2.08 0.00 0.00 39.78 38.83 1t60 n ASN 66 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1t60 h ILE 67 N 0.21 0.01 -0.39 1.53 2.10 -2.02 -2.02 117.51 116.94 1t60 h ILE 67 Ca -0.20 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.36 1t60 h ILE 67 Cb 0.86 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 1t60 h ILE 67 CO 0.29 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.96 1t60 n ASN 68 N -3.09 2.19 -2.88 2.19 3.02 -1.26 -4.92 115.26 110.52 1t60 n ASN 68 Ca -0.00 -2.03 -0.20 0.00 -0.03 0.00 0.00 54.58 52.32 1t60 n ASN 68 Cb 0.24 -0.29 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 1t60 n ASN 68 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t60 n ASN 69 N 0.63 -5.60 -4.25 6.41 2.85 -0.76 -5.02 115.26 109.52 1t60 n ASN 69 Ca 0.13 -0.36 -0.32 0.00 -0.11 0.00 0.00 54.58 53.92 1t60 n ASN 69 Cb 0.36 -4.31 -0.17 0.00 1.24 0.00 0.00 39.78 36.90 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1t60 s VAL 70 N -3.19 2.10 0.07 3.44 1.01 -1.26 -4.94 120.40 117.64 1t60 s VAL 70 Ca 0.39 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1t60 s VAL 70 Cb -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1t60 s VAL 70 CO 0.48 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 176.05 1t60 s ASN 72 N -1.94 2.83 -0.11 0.00 0.01 0.59 -4.98 114.94 111.34 1t60 s ASN 72 Ca 0.20 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 1t60 s ASN 72 Cb -0.11 -0.74 0.01 0.00 0.41 0.00 0.00 41.25 40.82 1t60 s ASN 72 CO 0.12 0.23 -0.20 0.12 -1.51 0.00 0.00 177.10 175.85 1t60 s PHE 73 N -0.15 2.35 -0.71 2.20 5.36 -1.26 -2.27 117.98 123.51 1t60 s PHE 73 Ca -0.03 -1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 54.85 1t60 s PHE 73 Cb -0.13 -1.62 0.01 0.00 -0.34 0.00 0.00 43.02 40.94 1t60 s PHE 73 CO 0.03 -0.50 0.04 0.00 -1.46 0.00 0.00 175.22 173.33 1t60 n ALA 74 N 3.95 -0.88 0.42 11.12 0.00 -1.26 -4.81 120.51 129.05 1t60 n ALA 74 Ca -0.20 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1t60 n ALA 74 Cb 0.52 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 1t60 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t60 n SER 75 N -1.74 0.83 0.00 0.00 7.64 -1.26 -4.70 113.62 114.38 1t60 n SER 75 Ca -0.08 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1t60 n SER 75 Cb 0.57 1.41 0.00 0.00 -1.01 0.00 0.00 64.21 65.17 1t60 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t60 n ARG 76 N -1.77 0.92 -3.15 1.43 0.63 -1.26 -5.07 116.66 108.40 1t60 n ARG 76 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.71 1t60 n ARG 76 Cb 0.37 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.24 1t60 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t60 n ASN 77 N 0.00 2.06 -4.96 6.15 3.02 -1.26 -4.86 115.26 115.40 1t60 n ASN 77 Ca 0.00 -3.19 -0.18 0.00 -0.03 0.00 0.00 54.58 51.18 1t60 n ASN 77 Cb 0.00 -0.61 -0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1t60 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1t60 s ASP 78 N -2.51 5.51 0.19 6.41 -0.00 -1.26 -4.87 116.67 120.14 1t60 s ASP 78 Ca 0.42 -0.49 0.03 0.00 -0.00 0.00 0.00 52.55 52.50 1t60 s ASP 78 Cb 0.28 -0.71 -0.05 0.00 -0.00 0.00 0.00 42.92 42.44 1t60 s ASP 78 CO -0.09 -0.68 -0.01 -0.31 -0.00 0.00 0.00 175.17 174.07 1t60 s TYR 79 N -2.36 1.37 -0.04 4.23 1.51 -0.41 -2.68 117.35 118.96 1t60 s TYR 79 Ca 0.51 -0.95 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1t60 s TYR 79 Cb -0.08 -0.78 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 1t60 s TYR 79 CO 0.31 -0.11 0.10 -1.54 -1.11 0.00 0.00 175.55 173.20 1t60 s SER 80 N -3.23 -0.10 -0.06 2.29 1.04 -0.70 -1.56 113.70 111.38 1t60 s SER 80 Ca 0.25 0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.89 1t60 s SER 80 Cb 0.05 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1t60 s SER 80 CO 0.06 -0.04 -0.15 -0.31 0.98 0.00 0.00 173.24 173.78 1t60 s TYR 81 N 0.02 1.66 0.08 5.02 2.02 0.11 -0.70 117.35 125.56 1t60 s TYR 81 Ca -0.00 -0.59 0.07 0.00 -0.37 0.00 0.00 57.07 56.17 1t60 s TYR 81 Cb -0.01 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 1t60 s TYR 81 CO 0.00 -0.26 -0.18 -1.58 -1.57 0.00 0.00 175.55 171.96 1t60 s TRP 82 N 0.44 1.51 0.44 2.71 0.52 -1.03 -0.37 118.94 123.16 1t60 s TRP 82 Ca -0.12 -0.42 -0.25 0.00 0.02 0.00 0.00 56.10 55.33 1t60 s TRP 82 Cb -0.15 -0.85 -0.08 0.00 -1.15 0.00 0.00 33.47 31.24 1t60 s TRP 82 CO 0.04 0.12 1.35 -0.51 0.02 0.00 0.00 176.95 177.96 1t60 s LEU 83 N -1.67 4.12 0.48 2.99 1.43 -0.35 -0.99 118.68 124.69 1t60 s LEU 83 Ca 0.03 2.74 0.06 0.00 -1.03 0.00 0.00 54.13 55.93 1t60 s LEU 83 Cb -0.10 -3.99 -0.00 0.00 0.03 0.00 0.00 46.19 42.13 1t60 s LEU 83 CO 0.03 -1.07 0.27 -0.94 0.23 0.00 0.00 176.35 174.87 1t60 s SER 84 N -0.73 4.53 0.44 2.29 1.04 0.66 -1.23 113.70 120.71 1t60 s SER 84 Ca 0.61 -1.21 0.06 0.00 0.48 0.00 0.00 55.95 55.89 1t60 s SER 84 Cb -0.40 0.05 0.06 0.00 0.10 0.00 0.00 66.02 65.83 1t60 s SER 84 CO 0.50 -0.84 0.51 0.35 0.98 0.00 0.00 173.24 174.74 1t60 n THR 85 N -1.50 0.00 2.00 2.02 -2.24 -0.69 -4.54 114.28 109.32 1t60 n THR 85 Ca -0.04 -1.57 0.05 0.00 -2.27 0.00 0.00 64.05 60.23 1t60 n THR 85 Cb 0.65 -0.44 0.31 0.00 -2.10 0.00 0.00 70.33 68.75 1t60 n THR 85 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1t60 n PRO 86 N -1.80 1.00 -1.68 -0.78 -0.02 -1.26 -4.88 135.00 125.58 1t60 n PRO 86 Ca 0.07 -0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.10 1t60 n PRO 86 Cb 0.47 -1.17 -0.04 0.00 -0.02 0.00 0.00 33.50 32.75 1t60 n PRO 86 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1t60 n GLU 87 N -0.66 2.34 -2.35 -0.52 4.07 -1.26 -4.95 120.64 117.30 1t60 n GLU 87 Ca 0.08 0.84 -0.34 0.00 -0.06 0.00 0.00 57.16 57.68 1t60 n GLU 87 Cb 0.04 -2.63 -0.01 0.00 -0.06 0.00 0.00 31.44 28.77 1t60 n GLU 87 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1t60 s PRO 88 N 0.97 3.57 0.40 5.31 0.02 -1.26 -5.00 135.00 139.01 1t60 s PRO 88 Ca 0.77 1.37 -0.23 0.00 0.02 0.00 0.00 61.00 62.93 1t60 s PRO 88 Cb -0.63 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.74 1t60 s PRO 88 CO 0.36 -0.62 0.99 -1.64 -0.33 0.00 0.00 177.00 175.76 1t60 s MET 89 N -3.46 4.26 0.69 5.54 -1.94 -1.26 -4.99 119.30 118.13 1t60 s MET 89 Ca 0.67 1.34 -0.17 0.00 -1.71 0.00 0.00 55.69 55.83 1t60 s MET 89 Cb -0.18 -2.47 0.01 0.00 2.01 0.00 0.00 34.83 34.20 1t60 s MET 89 CO 0.26 -0.03 1.21 -2.30 -0.01 0.00 0.00 175.02 174.15 1t60 n PRO 90 N -0.14 0.82 0.04 2.03 -0.02 -1.26 -4.84 135.00 131.63 1t60 n PRO 90 Ca 0.05 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1t60 n PRO 90 Cb 0.51 -2.45 0.60 0.00 -0.02 0.00 0.00 33.50 32.14 1t60 n PRO 90 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1t60 h MET 91 N 0.12 0.17 0.00 -0.52 4.05 -1.97 -1.47 114.93 115.31 1t60 h MET 91 Ca -0.49 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 58.87 1t60 h MET 91 Cb 1.33 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.09 1t60 h MET 91 CO 0.51 0.11 -0.22 0.66 0.23 0.00 0.00 176.91 178.20 1t60 h SER 92 N 0.18 0.00 -0.21 1.39 4.64 -2.04 -3.46 113.55 114.05 1t60 h SER 92 Ca 0.19 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 1t60 h SER 92 Cb 0.53 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 1t60 h SER 92 CO -0.03 0.22 -0.08 0.23 -0.87 0.00 0.00 176.83 176.30 1t60 n MET 93 N -4.17 -0.63 -3.35 4.77 0.00 -0.55 -5.01 117.12 108.17 1t60 n MET 93 Ca -0.02 0.52 -0.32 0.00 0.00 0.00 0.00 57.70 57.88 1t60 n MET 93 Cb 0.28 -4.23 -0.06 0.00 0.00 0.00 0.00 33.22 29.21 1t60 n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t60 s ALA 94 N -2.00 3.51 0.34 3.04 0.00 -1.26 -5.01 121.76 120.38 1t60 s ALA 94 Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 1t60 s ALA 94 Cb 0.00 -2.51 -0.14 0.00 0.00 0.00 0.00 23.12 20.47 1t60 s ALA 94 CO 0.00 0.47 0.74 -2.30 0.00 0.00 0.00 175.76 174.66 1t60 n PRO 95 N -0.17 0.81 -3.32 0.00 -0.02 -1.26 -4.82 135.00 126.22 1t60 n PRO 95 Ca 0.01 0.29 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 1t60 n PRO 95 Cb 0.53 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.36 1t60 n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t60 s ILE 96 N -1.25 4.82 0.11 4.25 -1.09 0.56 -4.86 121.20 123.74 1t60 s ILE 96 Ca 0.62 0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 59.86 1t60 s ILE 96 Cb -0.68 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 1t60 s ILE 96 CO 0.58 0.19 0.09 0.42 -1.23 0.00 0.00 174.94 174.99 1t60 s THR 97 N -1.53 0.13 0.00 2.92 -4.23 -1.26 -1.25 115.64 110.42 1t60 s THR 97 Ca 0.40 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1t60 s THR 97 Cb -0.15 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1t60 s THR 97 CO 0.19 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1t60 n GLY 98 N -0.05 2.39 0.26 3.99 0.00 -1.26 -2.29 105.19 108.23 1t60 n GLY 98 Ca -0.09 -0.36 0.18 0.00 0.00 0.00 0.00 46.02 45.74 1t60 n GLY 98 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t60 h GLU 99 N 0.00 0.00 0.00 1.61 4.39 -1.99 -2.23 114.58 116.36 1t60 h GLU 99 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t60 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t60 h GLU 99 CO 0.00 0.00 0.00 -0.91 -1.16 0.00 0.00 179.01 176.94 1t60 h ASN 100 N 0.00 0.00 0.07 1.42 2.35 -1.87 -2.43 115.58 115.12 1t60 h ASN 100 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 1t60 h ASN 100 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1t60 h ASN 100 CO 0.00 0.00 -0.74 0.40 -1.65 0.00 0.00 177.43 175.44 1t60 h ILE 101 N 0.00 1.33 -0.92 2.81 2.04 -1.49 -3.35 117.51 117.93 1t60 h ILE 101 Ca 0.00 -2.05 0.26 0.00 1.00 0.00 0.00 64.86 64.07 1t60 h ILE 101 Cb 0.19 2.04 -0.16 0.00 -0.74 0.00 0.00 36.82 38.15 1t60 h ILE 101 CO 0.00 0.63 0.22 -0.09 0.00 0.00 0.00 178.15 178.91 1t60 h ARG 102 N 0.40 0.13 0.00 2.37 2.43 -1.63 0.63 114.38 118.71 1t60 h ARG 102 Ca -0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1t60 h ARG 102 Cb 1.34 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1t60 h ARG 102 CO 0.14 0.09 0.00 -1.35 -1.51 0.00 0.00 179.97 177.34 1t60 h PRO 103 N 0.14 0.00 0.00 0.20 0.11 -1.79 -2.70 132.00 127.97 1t60 h PRO 103 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1t60 h PRO 103 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1t60 h PRO 103 CO -0.73 0.00 -0.82 1.19 -0.21 0.00 0.00 178.00 177.43 1t60 n PHE 104 N -2.72 0.06 -3.30 0.65 3.01 0.21 -4.60 117.46 110.78 1t60 n PHE 104 Ca -0.02 0.02 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1t60 n PHE 104 Cb 0.07 -0.20 -0.07 0.00 -0.01 0.00 0.00 39.48 39.27 1t60 n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1t60 s ILE 105 N -3.05 5.15 0.52 4.37 -1.09 -1.02 -1.71 121.20 124.37 1t60 s ILE 105 Ca 0.08 0.88 -0.21 0.00 -2.23 0.00 0.00 60.65 59.17 1t60 s ILE 105 Cb 0.16 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 1t60 s ILE 105 CO 0.79 0.23 1.17 -0.55 -1.23 0.00 0.00 174.94 175.35 1t60 s SER 106 N 1.01 5.77 0.28 3.58 0.15 -0.37 -4.42 113.70 119.71 1t60 s SER 106 Ca 0.23 2.30 0.07 0.00 0.70 0.00 0.00 55.95 59.25 1t60 s SER 106 Cb -0.15 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 106 CO 0.09 -1.19 0.24 -0.13 1.20 0.00 0.00 173.24 173.45 1t60 s ARG 107 N -3.06 2.89 0.17 5.44 1.81 -0.70 -1.38 118.95 124.12 1t60 s ARG 107 Ca 0.70 -1.12 -0.04 0.00 -1.72 0.00 0.00 55.73 53.56 1t60 s ARG 107 Cb -0.28 -2.56 -0.03 0.00 -0.45 0.00 0.00 34.95 31.64 1t60 s ARG 107 CO 0.32 0.30 0.16 0.00 -0.68 0.00 0.00 175.30 175.40 1t60 s ALA 109 N -4.06 0.84 -0.30 0.00 0.00 0.14 -1.69 121.76 116.68 1t60 s ALA 109 Ca 0.27 -0.22 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 1t60 s ALA 109 Cb 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1t60 s ALA 109 CO 0.05 0.07 0.15 0.08 0.00 0.00 0.00 175.76 176.12 1t60 s VAL 110 N 0.58 4.69 0.10 0.00 1.01 0.13 -1.38 120.40 125.53 1t60 s VAL 110 Ca -0.09 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1t60 s VAL 110 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1t60 s VAL 110 CO 0.01 0.10 -0.19 0.00 0.00 0.00 0.00 175.10 175.02 1t60 s GLU 112 N -1.95 3.98 0.14 0.00 2.12 0.41 -0.01 118.70 123.40 1t60 s GLU 112 Ca 0.17 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.22 1t60 s GLU 112 Cb -0.10 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1t60 s GLU 112 CO 0.08 -0.02 0.13 0.00 -0.54 0.00 0.00 175.26 174.91 1t60 s ALA 113 N 1.28 3.60 0.07 6.30 0.00 0.24 -1.84 121.76 131.41 1t60 s ALA 113 Ca 0.07 -1.14 0.29 0.00 0.00 0.00 0.00 51.96 51.18 1t60 s ALA 113 Cb -0.14 -1.42 1.11 0.00 0.00 0.00 0.00 23.12 22.67 1t60 s ALA 113 CO 0.06 0.58 1.89 -1.00 0.00 0.00 0.00 175.76 177.30 1t60 h PRO 114 N 2.67 0.00 0.00 0.00 0.13 -1.80 -1.55 132.00 131.45 1t60 h PRO 114 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1t60 h PRO 114 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1t60 h PRO 114 CO 0.64 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 1t60 n ALA 115 N -2.14 0.00 -2.56 -0.56 0.00 -1.26 -4.80 120.51 109.19 1t60 n ALA 115 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1t60 n ALA 115 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 1t60 n ALA 115 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1t60 s MET 116 N -1.69 3.70 0.13 0.00 -1.94 -1.26 -4.52 119.30 113.72 1t60 s MET 116 Ca 0.00 0.07 0.08 0.00 -1.71 0.00 0.00 55.69 54.13 1t60 s MET 116 Cb 0.00 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 1t60 s MET 116 CO 0.00 0.39 -0.09 0.08 -0.01 0.00 0.00 175.02 175.40 1t60 s VAL 117 N -1.74 3.36 0.29 -6.03 1.01 -1.26 -1.98 120.40 114.04 1t60 s VAL 117 Ca 0.44 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1t60 s VAL 117 Cb -0.12 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1t60 s VAL 117 CO 0.23 0.02 0.38 0.00 0.00 0.00 0.00 175.10 175.74 1t60 s MET 118 N -2.47 1.65 0.01 2.72 0.23 -0.10 -4.87 119.30 116.47 1t60 s MET 118 Ca 0.23 -1.62 0.04 0.00 -1.03 0.00 0.00 55.69 53.32 1t60 s MET 118 Cb -0.10 0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 33.59 1t60 s MET 118 CO 0.15 -0.65 -0.13 0.00 -2.03 0.00 0.00 175.02 172.35 1t60 s ALA 119 N -3.58 1.10 0.02 3.16 0.00 -0.53 -0.51 121.76 121.42 1t60 s ALA 119 Ca 0.31 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.68 1t60 s ALA 119 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1t60 s ALA 119 CO 0.16 0.25 -0.19 0.14 0.00 0.00 0.00 175.76 176.12 1t60 s VAL 120 N -0.51 1.50 -0.03 0.00 -7.23 -0.58 -4.56 120.40 108.99 1t60 s VAL 120 Ca 0.04 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.28 1t60 s VAL 120 Cb -0.06 -1.29 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 1t60 s VAL 120 CO 0.00 0.26 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.80 1t60 s HIS 121 N -0.66 2.39 -0.09 2.82 3.76 -1.26 -1.51 115.29 120.74 1t60 s HIS 121 Ca 0.06 -0.50 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1t60 s HIS 121 Cb -0.08 -1.54 -0.24 0.00 1.11 0.00 0.00 32.58 31.84 1t60 s HIS 121 CO 0.01 -0.07 0.49 -1.13 -0.85 0.00 0.00 174.74 173.18 1t60 n SER 122 N 2.57 1.09 -1.31 1.40 3.41 -0.83 -4.95 113.62 115.01 1t60 n SER 122 Ca -0.16 0.30 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1t60 n SER 122 Cb 0.51 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1t60 n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 n GLN 123 N -3.12 -0.94 -4.11 4.33 6.02 -1.26 -4.92 117.38 113.39 1t60 n GLN 123 Ca -0.23 0.62 -0.15 0.00 -0.01 0.00 0.00 57.00 57.23 1t60 n GLN 123 Cb 1.06 -4.77 -0.05 0.00 1.02 0.00 0.00 30.24 27.51 1t60 n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 124 N -2.58 0.00 -0.41 5.09 -4.23 -1.26 0.75 115.64 113.00 1t60 s THR 124 Ca 0.00 -1.65 0.26 0.00 -1.18 0.00 0.00 61.69 59.12 1t60 s THR 124 Cb 0.00 -2.61 0.33 0.00 1.34 0.00 0.00 72.50 71.56 1t60 s THR 124 CO 0.00 0.00 1.74 0.40 -0.54 0.00 0.00 174.62 176.22 1t60 h ILE 125 N 2.13 0.00 -4.04 2.99 1.08 -1.91 -2.57 117.51 115.20 1t60 h ILE 125 Ca -0.28 -0.67 -0.47 0.00 -0.39 0.00 0.00 64.86 63.05 1t60 h ILE 125 Cb 1.24 1.64 0.02 0.00 -3.07 0.00 0.00 36.82 36.64 1t60 h ILE 125 CO 0.39 0.00 0.38 -1.10 -0.69 0.00 0.00 178.15 177.13 1t60 s GLN 126 N -3.29 3.98 -0.21 2.37 1.11 -1.26 -4.77 119.66 117.60 1t60 s GLN 126 Ca 0.06 1.36 -0.29 0.00 0.01 0.00 0.00 55.36 56.50 1t60 s GLN 126 Cb 0.08 -2.24 0.00 0.00 -1.01 0.00 0.00 33.01 29.85 1t60 s GLN 126 CO 0.59 -0.28 1.02 0.42 0.01 0.00 0.00 175.29 177.05 1t60 s ILE 127 N -1.92 4.71 0.14 1.08 -1.09 -1.26 -4.47 121.20 118.39 1t60 s ILE 127 Ca 0.64 2.00 -0.31 0.00 -2.23 0.00 0.00 60.65 60.74 1t60 s ILE 127 Cb -0.17 -4.30 -0.09 0.00 -1.58 0.00 0.00 42.46 36.33 1t60 s ILE 127 CO 0.21 -0.13 1.43 -2.16 -1.23 0.00 0.00 174.94 173.05 1t60 s PRO 128 N 2.93 4.30 0.43 2.79 0.04 -1.26 -4.98 135.00 139.24 1t60 s PRO 128 Ca 0.44 2.16 -0.23 0.00 0.04 0.00 0.00 61.00 63.41 1t60 s PRO 128 Cb -0.16 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 1t60 s PRO 128 CO 0.09 -0.46 1.08 -1.14 0.04 0.00 0.00 177.00 176.60 1t60 s GLN 129 N 0.92 4.00 0.42 4.56 0.74 -1.26 -4.53 119.66 124.51 1t60 s GLN 129 Ca 0.65 1.55 -0.25 0.00 0.05 0.00 0.00 55.36 57.36 1t60 s GLN 129 Cb -0.39 -2.43 -0.08 0.00 1.10 0.00 0.00 33.01 31.21 1t60 s GLN 129 CO 0.32 -0.29 1.24 0.00 -0.55 0.00 0.00 175.29 176.01 1t60 n PRO 131 N -0.07 0.89 -1.68 0.00 -0.02 -1.26 -4.82 135.00 128.04 1t60 n PRO 131 Ca 0.05 0.36 -0.45 0.00 -2.02 0.00 0.00 63.50 61.43 1t60 n PRO 131 Cb 0.45 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 1t60 n PRO 131 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1t60 n THR 132 N -2.07 0.18 -0.19 3.45 -1.04 -1.26 -0.88 114.28 112.47 1t60 n THR 132 Ca 0.15 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1t60 n THR 132 Cb 0.48 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 1t60 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t60 n GLY 133 N 3.81 0.73 3.13 3.41 0.00 -1.26 -5.00 105.19 110.00 1t60 n GLY 133 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1t60 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t60 s TRP 134 N -2.22 1.77 0.13 1.61 0.52 -0.06 0.29 118.94 120.99 1t60 s TRP 134 Ca 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 56.10 55.59 1t60 s TRP 134 Cb 0.00 -1.21 -0.04 0.00 -1.15 0.00 0.00 33.47 31.08 1t60 s TRP 134 CO 0.00 -0.21 0.17 -1.54 0.02 0.00 0.00 176.95 175.39 1t60 s SER 135 N 0.17 5.84 0.14 2.95 1.04 0.54 -4.56 113.70 119.82 1t60 s SER 135 Ca -0.07 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.08 1t60 s SER 135 Cb -0.13 -1.63 -0.07 0.00 0.10 0.00 0.00 66.02 64.28 1t60 s SER 135 CO 0.03 0.10 1.21 -0.55 0.98 0.00 0.00 173.24 175.01 1t60 s SER 136 N -2.92 7.07 -0.21 7.02 0.15 -1.26 -0.54 113.70 123.01 1t60 s SER 136 Ca 0.32 2.17 -0.05 0.00 0.70 0.00 0.00 55.95 59.09 1t60 s SER 136 Cb -0.11 -2.60 -0.11 0.00 -1.71 0.00 0.00 66.02 61.49 1t60 s SER 136 CO 0.25 -0.42 -0.23 0.18 1.20 0.00 0.00 173.24 174.22 1t60 n LEU 137 N 3.06 2.25 -3.62 3.45 4.77 0.34 -4.91 117.00 122.34 1t60 n LEU 137 Ca 0.06 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1t60 n LEU 137 Cb 0.45 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1t60 n LEU 137 CO 0.56 0.64 0.88 -1.66 -1.33 0.00 0.00 177.39 176.48 1t60 s TRP 138 N -2.40 -0.15 0.32 -1.77 -2.14 -1.20 -4.84 118.94 106.76 1t60 s TRP 138 Ca -0.28 0.00 0.10 0.00 2.66 0.00 0.00 56.10 58.58 1t60 s TRP 138 Cb 0.09 0.56 -0.06 0.00 -3.10 0.00 0.00 33.47 30.96 1t60 s TRP 138 CO 0.42 -0.46 -0.12 0.96 -2.66 0.00 0.00 176.95 175.09 1t60 s ILE 139 N -2.80 2.21 0.00 0.66 -4.36 -1.26 -0.72 121.20 114.93 1t60 s ILE 139 Ca 0.10 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 1t60 s ILE 139 Cb 0.01 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.19 1t60 s ILE 139 CO -0.04 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.48 1t60 n GLY 140 N -0.71 1.74 3.25 6.27 0.00 -0.69 -4.41 105.19 110.64 1t60 n GLY 140 Ca -0.05 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1t60 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 141 N -0.56 2.15 -0.49 1.61 1.51 0.52 -2.20 117.35 119.90 1t60 s TYR 141 Ca 0.00 -0.51 -0.27 0.00 -1.01 0.00 0.00 57.07 55.28 1t60 s TYR 141 Cb 0.00 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1t60 s TYR 141 CO 0.00 -0.11 2.04 -1.12 -1.11 0.00 0.00 175.55 175.25 1t60 s SER 142 N -0.35 5.16 -0.31 2.29 0.01 -0.48 -1.84 113.70 118.18 1t60 s SER 142 Ca 0.03 0.86 -0.12 0.00 1.31 0.00 0.00 55.95 58.04 1t60 s SER 142 Cb -0.11 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1t60 s SER 142 CO 0.01 -2.36 0.21 0.12 0.41 0.00 0.00 173.24 171.63 1t60 s PHE 143 N 9.51 3.22 -0.23 2.43 5.36 0.31 -2.00 117.98 136.58 1t60 s PHE 143 Ca 0.81 -0.11 -0.16 0.00 -0.96 0.00 0.00 56.93 56.52 1t60 s PHE 143 Cb -0.17 -2.43 -0.09 0.00 -0.34 0.00 0.00 43.02 39.99 1t60 s PHE 143 CO 0.26 -0.29 -0.33 0.28 -1.46 0.00 0.00 175.22 173.68 1t60 n VAL 144 N 5.08 1.51 -3.67 3.12 0.31 -0.47 -4.40 118.33 119.81 1t60 n VAL 144 Ca -0.13 -0.11 -0.08 0.00 -0.01 0.00 0.00 64.34 64.01 1t60 n VAL 144 Cb 0.51 -2.12 0.01 0.00 -0.91 0.00 0.00 33.84 31.33 1t60 n VAL 144 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1t60 n MET 145 N -4.37 0.81 -3.52 5.55 0.00 -1.12 -0.81 117.12 113.66 1t60 n MET 145 Ca -0.34 -1.79 -0.09 0.00 0.00 0.00 0.00 57.70 55.48 1t60 n MET 145 Cb 0.69 2.13 -0.02 0.00 0.00 0.00 0.00 33.22 36.02 1t60 n MET 145 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t60 s HIS 146 N -3.70 -0.39 0.03 3.17 -3.43 -0.75 -0.42 115.29 109.81 1t60 s HIS 146 Ca 0.14 0.18 -0.08 0.00 -0.80 0.00 0.00 55.06 54.50 1t60 s HIS 146 Cb -0.03 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 1t60 s HIS 146 CO 0.10 -0.75 0.16 0.95 -2.00 0.00 0.00 174.74 173.21 1t60 s THR 147 N -3.46 0.11 0.00 -5.38 -4.23 -0.77 -2.77 115.64 99.14 1t60 s THR 147 Ca 0.05 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1t60 s THR 147 Cb -0.01 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1t60 s THR 147 CO -0.08 -0.50 0.00 -0.24 -0.54 0.00 0.00 174.62 173.26 1t60 n SER 148 N 0.84 0.00 -4.71 3.99 2.88 -0.24 -0.96 113.62 115.42 1t60 n SER 148 Ca -0.20 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.91 1t60 n SER 148 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 1t60 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t60 n ALA 149 N -3.00 1.81 -1.31 -1.46 0.00 -1.26 -1.69 120.51 113.61 1t60 n ALA 149 Ca 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.72 1t60 n ALA 149 Cb 0.00 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.04 1t60 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 150 N 1.92 1.05 2.60 0.00 0.00 -1.26 -1.77 105.19 107.73 1t60 n GLY 150 Ca 0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1t60 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 n ALA 151 N 1.20 -0.16 -2.07 4.61 0.00 -0.68 -4.98 120.51 118.43 1t60 n ALA 151 Ca -0.11 0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1t60 n ALA 151 Cb 0.55 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1t60 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t60 s GLU 152 N -2.70 3.60 0.00 0.00 0.41 -0.73 -4.71 118.70 114.57 1t60 s GLU 152 Ca 0.00 0.49 0.00 0.00 -0.41 0.00 0.00 54.97 55.05 1t60 s GLU 152 Cb 0.00 -2.24 0.00 0.00 -1.78 0.00 0.00 34.13 30.11 1t60 s GLU 152 CO 0.00 -0.36 0.00 0.41 -0.49 0.00 0.00 175.26 174.82 1t60 n GLY 153 N -2.40 -0.90 0.86 -1.39 0.00 -1.26 -1.08 105.19 99.02 1t60 n GLY 153 Ca 0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 1t60 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t60 n SER 154 N 0.14 -0.46 -2.10 1.61 3.41 -1.11 -4.74 113.62 110.37 1t60 n SER 154 Ca 0.00 -1.40 -0.07 0.00 -0.26 0.00 0.00 58.87 57.13 1t60 n SER 154 Cb 0.00 0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 64.73 1t60 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t60 n GLY 155 N -0.13 2.26 3.62 5.00 0.00 -1.26 -1.81 105.19 112.86 1t60 n GLY 155 Ca -0.01 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 1t60 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t60 s GLN 156 N -2.35 2.26 -0.19 1.61 -1.52 0.01 -4.77 119.66 114.71 1t60 s GLN 156 Ca 0.14 -1.14 -0.26 0.00 -1.95 0.00 0.00 55.36 52.16 1t60 s GLN 156 Cb -0.01 -2.29 -0.01 0.00 -0.22 0.00 0.00 33.01 30.48 1t60 s GLN 156 CO 0.10 0.46 0.86 0.00 -0.25 0.00 0.00 175.29 176.46 1t60 s ALA 157 N -1.63 3.56 -0.61 6.09 0.00 -1.26 -4.91 121.76 122.99 1t60 s ALA 157 Ca 0.26 0.03 0.14 0.00 0.00 0.00 0.00 51.96 52.38 1t60 s ALA 157 Cb -0.09 -3.28 0.68 0.00 0.00 0.00 0.00 23.12 20.42 1t60 s ALA 157 CO 0.17 -0.75 1.42 1.28 0.00 0.00 0.00 175.76 177.87 1t60 n LEU 158 N 5.51 0.32 -0.08 0.00 4.77 -1.26 -0.50 117.00 125.75 1t60 n LEU 158 Ca 0.06 0.63 0.11 0.00 -0.03 0.00 0.00 56.01 56.78 1t60 n LEU 158 Cb 0.48 -0.64 0.13 0.00 -2.33 0.00 0.00 43.42 41.06 1t60 n LEU 158 CO 0.48 -0.66 0.31 0.00 -1.33 0.00 0.00 177.39 176.19 1t60 n ALA 159 N -1.65 3.87 -2.61 -1.18 0.00 -1.26 -4.65 120.51 113.03 1t60 n ALA 159 Ca 0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1t60 n ALA 159 Cb 0.07 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1t60 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t60 s SER 160 N -2.88 6.50 0.60 0.00 0.15 0.35 -1.45 113.70 116.96 1t60 s SER 160 Ca 0.13 0.65 0.32 0.00 0.70 0.00 0.00 55.95 57.74 1t60 s SER 160 Cb 0.17 -2.11 1.89 0.00 -1.71 0.00 0.00 66.02 64.26 1t60 s SER 160 CO 0.72 -0.02 2.26 -0.65 1.20 0.00 0.00 173.24 176.75 1t60 h PRO 161 N 2.49 0.00 0.00 5.44 0.11 -1.84 -1.69 132.00 136.51 1t60 h PRO 161 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t60 h PRO 161 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t60 h PRO 161 CO 0.70 0.01 0.00 0.78 -0.21 0.00 0.00 178.00 179.28 1t60 h GLY 162 N 0.05 0.00 -1.40 -0.55 0.00 -1.84 0.01 103.07 99.34 1t60 h GLY 162 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 163 N -3.03 2.17 -3.77 0.19 3.41 -0.64 -4.58 113.62 107.37 1t60 n SER 163 Ca -0.02 -1.92 -0.29 0.00 -0.26 0.00 0.00 58.87 56.37 1t60 n SER 163 Cb 0.11 -0.23 -0.13 0.00 -0.26 0.00 0.00 64.21 63.70 1t60 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 165 N 0.03 4.29 0.29 0.00 2.96 -0.77 -4.74 118.68 120.74 1t60 s LEU 165 Ca 0.19 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 1t60 s LEU 165 Cb -0.22 -3.35 0.43 0.00 0.50 0.00 0.00 46.19 43.56 1t60 s LEU 165 CO -0.02 -0.28 1.81 -0.33 -1.32 0.00 0.00 176.35 176.21 1t60 h GLU 166 N 6.95 0.71 -4.94 1.98 5.08 -1.88 0.15 114.58 122.63 1t60 h GLU 166 Ca -0.37 -0.17 -0.64 0.00 -1.00 0.00 0.00 59.36 57.18 1t60 h GLU 166 Cb 1.18 -0.10 -0.35 0.00 0.50 0.00 0.00 28.75 29.99 1t60 h GLU 166 CO 0.79 0.71 -0.85 -2.00 -1.00 0.00 0.00 179.01 176.65 1t60 s GLU 167 N -5.03 2.67 0.23 2.33 2.12 -1.26 -4.68 118.70 115.08 1t60 s GLU 167 Ca -0.09 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 1t60 s GLU 167 Cb 0.15 -2.28 -0.09 0.00 0.26 0.00 0.00 34.13 32.17 1t60 s GLU 167 CO 0.79 -0.13 1.26 0.12 -0.54 0.00 0.00 175.26 176.76 1t60 s PHE 168 N 1.15 3.29 -0.09 5.30 2.19 -1.26 -5.00 117.98 123.57 1t60 s PHE 168 Ca -0.01 1.36 -0.04 0.00 0.33 0.00 0.00 56.93 58.57 1t60 s PHE 168 Cb -0.14 -3.54 0.04 0.00 -1.31 0.00 0.00 43.02 38.07 1t60 s PHE 168 CO -0.07 -1.57 0.19 1.03 1.83 0.00 0.00 175.22 176.63 1t60 s ARG 169 N -0.61 0.13 0.49 10.12 1.81 -1.26 -5.02 118.95 124.60 1t60 s ARG 169 Ca 0.53 0.48 0.22 0.00 -1.72 0.00 0.00 55.73 55.24 1t60 s ARG 169 Cb -0.36 -0.16 1.25 0.00 -0.45 0.00 0.00 34.95 35.23 1t60 s ARG 169 CO 0.41 -0.19 2.02 0.66 -0.68 0.00 0.00 175.30 177.52 1t60 h SER 170 N 7.46 0.00 -2.74 0.23 4.64 -1.99 -3.22 113.55 117.92 1t60 h SER 170 Ca -0.36 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.35 1t60 h SER 170 Cb 1.14 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.83 1t60 h SER 170 CO 0.35 0.16 -0.74 0.00 -0.87 0.00 0.00 176.83 175.74 1t60 n ALA 171 N -2.36 3.22 1.04 5.18 0.00 -1.26 -4.31 120.51 122.02 1t60 n ALA 171 Ca -0.02 -3.99 0.11 0.00 0.00 0.00 0.00 53.44 49.54 1t60 n ALA 171 Cb 0.26 -0.91 0.56 0.00 0.00 0.00 0.00 19.45 19.36 1t60 n ALA 171 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t60 n PRO 172 N 2.20 0.27 -4.12 0.00 -0.04 -1.22 -4.87 135.00 127.23 1t60 n PRO 172 Ca 0.24 0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1t60 n PRO 172 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 1t60 n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 173 N -2.64 0.69 0.14 0.54 -0.71 -1.26 -0.24 117.98 114.49 1t60 s PHE 173 Ca 0.20 -1.12 0.10 0.00 -1.04 0.00 0.00 56.93 55.07 1t60 s PHE 173 Cb 0.15 -0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 1t60 s PHE 173 CO 0.36 -0.42 -0.22 -1.50 -1.34 0.00 0.00 175.22 172.11 1t60 s ILE 174 N -3.95 2.59 -0.22 -4.49 2.07 -0.16 -4.79 121.20 112.25 1t60 s ILE 174 Ca 0.14 -1.68 -0.09 0.00 -1.41 0.00 0.00 60.65 57.60 1t60 s ILE 174 Cb 0.08 -2.19 -0.05 0.00 0.13 0.00 0.00 42.46 40.43 1t60 s ILE 174 CO -0.05 0.05 0.12 -0.70 -1.91 0.00 0.00 174.94 172.45 1t60 s GLU 175 N -2.24 4.05 0.18 3.50 2.12 -0.67 -2.46 118.70 123.19 1t60 s GLU 175 Ca 0.17 -0.29 0.11 0.00 0.36 0.00 0.00 54.97 55.32 1t60 s GLU 175 Cb -0.10 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1t60 s GLU 175 CO 0.09 0.16 -0.22 0.00 -0.54 0.00 0.00 175.26 174.74 1t60 s HIS 177 N -1.75 2.10 0.59 0.00 0.09 0.98 -1.72 115.29 115.58 1t60 s HIS 177 Ca 0.19 -0.41 0.40 0.00 -0.00 0.00 0.00 55.06 55.24 1t60 s HIS 177 Cb -0.07 -0.95 2.18 0.00 -0.00 0.00 0.00 32.58 33.74 1t60 s HIS 177 CO 0.09 0.57 2.31 0.78 -0.00 0.00 0.00 174.74 178.48 1t60 h GLY 178 N 2.55 0.00 2.00 -2.22 0.00 -1.68 0.45 103.07 104.17 1t60 h GLY 178 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1t60 h GLY 178 CO 0.58 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.99 1t60 n ARG 179 N -3.26 0.19 0.00 4.80 0.63 -1.26 -4.85 116.66 112.91 1t60 n ARG 179 Ca -0.03 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 1t60 n ARG 179 Cb 0.10 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.10 1t60 n ARG 179 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t60 n GLY 180 N -0.30 0.63 3.92 5.14 0.00 0.15 -5.09 105.19 109.64 1t60 n GLY 180 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1t60 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 181 N -2.00 5.34 0.04 2.61 -4.23 -1.25 -4.10 115.64 112.05 1t60 s THR 181 Ca 0.00 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1t60 s THR 181 Cb 0.00 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 1t60 s THR 181 CO 0.00 0.05 -0.04 0.00 -0.54 0.00 0.00 174.62 174.09 1t60 s ASN 183 N -1.92 -0.04 -0.20 0.00 2.47 0.50 -0.32 114.94 115.42 1t60 s ASN 183 Ca -0.08 -0.09 -0.08 0.00 0.42 0.00 0.00 52.86 53.03 1t60 s ASN 183 Cb -0.05 0.12 -0.04 0.00 -1.45 0.00 0.00 41.25 39.83 1t60 s ASN 183 CO -0.03 -0.21 0.09 -0.31 -3.72 0.00 0.00 177.10 172.91 1t60 s TYR 184 N -2.31 3.28 0.07 0.43 1.51 -1.26 -1.67 117.35 117.41 1t60 s TYR 184 Ca 0.14 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.38 1t60 s TYR 184 Cb 0.05 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1t60 s TYR 184 CO -0.05 0.15 -0.09 0.71 -1.11 0.00 0.00 175.55 175.16 1t60 s TYR 185 N 0.50 2.77 0.54 2.71 1.51 -1.26 -5.02 117.35 119.09 1t60 s TYR 185 Ca 0.05 -0.13 0.23 0.00 -1.01 0.00 0.00 57.07 56.21 1t60 s TYR 185 Cb -0.12 -1.49 1.40 0.00 -0.11 0.00 0.00 41.96 41.64 1t60 s TYR 185 CO 0.00 0.40 2.06 0.00 -1.11 0.00 0.00 175.55 176.90 1t60 h ALA 186 N 3.92 2.24 -0.00 3.71 0.00 -2.02 -2.18 119.26 124.92 1t60 h ALA 186 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1t60 h ALA 186 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t60 h ALA 186 CO 0.53 -0.39 -0.01 0.27 0.00 0.00 0.00 179.25 179.64 1t60 n ASN 187 N -4.34 0.09 -4.74 0.00 6.94 -1.26 -4.85 115.26 107.10 1t60 n ASN 187 Ca 0.04 -0.62 -0.41 0.00 -0.02 0.00 0.00 54.58 53.57 1t60 n ASN 187 Cb 0.40 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.66 1t60 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t60 s ALA 188 N -2.28 3.44 0.01 -2.53 0.00 -0.82 -4.61 121.76 114.97 1t60 s ALA 188 Ca 0.38 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1t60 s ALA 188 Cb 0.21 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1t60 s ALA 188 CO 0.42 -0.37 -0.13 0.71 0.00 0.00 0.00 175.76 176.38 1t60 s TYR 189 N -0.22 1.14 -0.07 0.00 1.51 -0.13 -5.00 117.35 114.58 1t60 s TYR 189 Ca 0.52 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1t60 s TYR 189 Cb -0.33 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 1t60 s TYR 189 CO 0.38 0.00 -0.17 -1.54 -1.11 0.00 0.00 175.55 173.11 1t60 s SER 190 N -0.66 3.78 -0.11 2.29 1.04 -1.26 -1.85 113.70 116.93 1t60 s SER 190 Ca 0.03 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.17 1t60 s SER 190 Cb -0.06 -1.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.04 1t60 s SER 190 CO 0.00 0.28 -0.15 -0.36 0.98 0.00 0.00 173.24 174.00 1t60 s PHE 191 N -0.35 2.75 0.12 5.02 0.08 0.45 -4.98 117.98 121.06 1t60 s PHE 191 Ca 0.03 -0.57 0.06 0.00 0.12 0.00 0.00 56.93 56.58 1t60 s PHE 191 Cb -0.12 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 1t60 s PHE 191 CO 0.02 -0.14 -0.15 -1.58 -0.10 0.00 0.00 175.22 173.27 1t60 s TRP 192 N 0.08 1.48 0.29 0.36 0.52 -1.26 -1.36 118.94 119.05 1t60 s TRP 192 Ca -0.06 -0.51 -0.29 0.00 0.02 0.00 0.00 56.10 55.25 1t60 s TRP 192 Cb -0.15 -0.78 -0.10 0.00 -1.15 0.00 0.00 33.47 31.29 1t60 s TRP 192 CO 0.05 0.16 1.30 -0.51 0.02 0.00 0.00 176.95 177.97 1t60 s LEU 193 N -2.31 4.44 0.51 2.99 1.43 -0.85 -4.89 118.68 120.00 1t60 s LEU 193 Ca 0.08 2.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.72 1t60 s LEU 193 Cb -0.06 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1t60 s LEU 193 CO 0.04 -0.50 0.78 0.00 0.23 0.00 0.00 176.35 176.89 1t60 s ALA 194 N -0.74 3.53 0.11 4.21 0.00 -1.26 -1.21 121.76 126.38 1t60 s ALA 194 Ca 0.51 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 1t60 s ALA 194 Cb -0.38 -2.38 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 1t60 s ALA 194 CO 0.47 -0.54 0.78 0.95 0.00 0.00 0.00 175.76 177.42 1t60 s THR 195 N -2.75 4.55 -0.03 0.00 -4.23 -0.79 -4.48 115.64 107.90 1t60 s THR 195 Ca 0.50 1.68 0.01 0.00 -1.18 0.00 0.00 61.69 62.71 1t60 s THR 195 Cb -0.10 -4.14 0.01 0.00 1.34 0.00 0.00 72.50 69.62 1t60 s THR 195 CO 0.42 0.44 -0.05 -0.63 -0.54 0.00 0.00 174.62 174.25 1t60 s ILE 196 N -0.58 0.56 -0.04 2.99 1.01 0.23 -4.95 121.20 120.42 1t60 s ILE 196 Ca 0.38 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.64 1t60 s ILE 196 Cb -0.22 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 1t60 s ILE 196 CO 0.25 0.21 0.58 -1.61 0.00 0.00 0.00 174.94 174.37 1t60 s GLU 197 N 0.61 4.33 0.42 2.79 0.41 -1.26 -4.74 118.70 121.26 1t60 s GLU 197 Ca -0.08 0.69 0.26 0.00 -0.41 0.00 0.00 54.97 55.42 1t60 s GLU 197 Cb -0.12 -3.38 1.32 0.00 -1.78 0.00 0.00 34.13 30.17 1t60 s GLU 197 CO 0.00 0.28 1.67 -0.09 -0.49 0.00 0.00 175.26 176.63 1t60 h ARG 198 N 6.05 0.18 0.00 1.61 2.43 -2.00 0.88 114.38 123.53 1t60 h ARG 198 Ca -0.44 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1t60 h ARG 198 Cb 1.20 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1t60 h ARG 198 CO 0.72 0.12 -0.06 1.03 -1.51 0.00 0.00 179.97 180.26 1t60 h SER 199 N 0.18 0.00 0.07 -3.80 0.87 -2.04 -3.20 113.55 105.64 1t60 h SER 199 Ca 0.75 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.31 1t60 h SER 199 Cb 2.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.18 1t60 h SER 199 CO -0.39 0.06 -0.58 -1.84 -0.53 0.00 0.00 176.83 173.56 1t60 n GLU 200 N -3.15 0.74 -0.25 2.24 0.28 0.30 -4.53 120.64 116.27 1t60 n GLU 200 Ca 0.02 -0.57 0.04 0.00 -0.16 0.00 0.00 57.16 56.48 1t60 n GLU 200 Cb 0.43 -1.49 0.13 0.00 1.43 0.00 0.00 31.44 31.94 1t60 n GLU 200 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1t60 h MET 201 N 1.40 0.06 -0.77 3.44 2.86 -1.44 -1.34 114.93 119.14 1t60 h MET 201 Ca 0.00 -0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.18 1t60 h MET 201 Cb 0.63 -0.01 -0.25 0.00 0.06 0.00 0.00 31.60 32.02 1t60 h MET 201 CO 0.00 0.04 0.32 1.19 1.06 0.00 0.00 176.91 179.51 1t60 n PHE 202 N -5.40 2.44 -4.38 -0.22 3.01 -1.26 -4.95 117.46 106.71 1t60 n PHE 202 Ca 0.12 -2.09 -0.26 0.00 1.01 0.00 0.00 57.45 56.23 1t60 n PHE 202 Cb 0.44 -0.86 -0.10 0.00 -0.01 0.00 0.00 39.48 38.94 1t60 n PHE 202 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1t60 s LYS 203 N -3.44 1.78 0.12 -1.08 -0.14 -0.51 -5.08 119.74 111.39 1t60 s LYS 203 Ca 0.54 -1.48 -0.33 0.00 -1.36 0.00 0.00 55.97 53.35 1t60 s LYS 203 Cb 0.46 -1.96 -0.12 0.00 -1.68 0.00 0.00 37.83 34.53 1t60 s LYS 203 CO 0.04 0.40 1.73 1.17 -0.76 0.00 0.00 175.35 177.93 1t60 n LYS 204 N -0.05 2.48 -1.73 1.68 4.81 -1.26 -4.89 118.16 119.20 1t60 n LYS 204 Ca -0.10 0.90 -0.42 0.00 -0.87 0.00 0.00 58.31 57.81 1t60 n LYS 204 Cb 0.57 -2.73 -0.01 0.00 0.02 0.00 0.00 35.03 32.87 1t60 n LYS 204 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t60 n PRO 205 N 4.71 2.47 -3.05 1.64 -0.02 -1.26 -4.94 135.00 134.55 1t60 n PRO 205 Ca 0.18 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 62.11 1t60 n PRO 205 Cb 0.33 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 1t60 n PRO 205 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t60 s THR 206 N -0.54 4.80 0.51 3.45 2.01 -1.26 -5.02 115.64 119.58 1t60 s THR 206 Ca 0.60 0.55 -0.23 0.00 0.31 0.00 0.00 61.69 62.92 1t60 s THR 206 Cb -0.53 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 67.74 1t60 s THR 206 CO 0.56 -0.46 1.38 -2.65 -0.69 0.00 0.00 174.62 172.75 1t60 n PRO 207 N 6.30 1.88 -3.69 4.92 -0.02 -1.26 -5.02 135.00 138.10 1t60 n PRO 207 Ca 0.00 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 1t60 n PRO 207 Cb 0.48 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 1t60 n PRO 207 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1t60 s SER 208 N -0.75 -0.38 -0.19 2.55 1.04 -1.26 -5.13 113.70 109.58 1t60 s SER 208 Ca 0.68 0.47 0.01 0.00 0.48 0.00 0.00 55.95 57.59 1t60 s SER 208 Cb -0.43 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1t60 s SER 208 CO 0.52 -0.40 -0.12 -0.89 0.98 0.00 0.00 173.24 173.33 1t60 s THR 209 N -0.85 1.70 0.02 2.02 2.01 -1.26 -5.13 115.64 114.16 1t60 s THR 209 Ca -0.09 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1t60 s THR 209 Cb -0.03 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1t60 s THR 209 CO 0.05 0.27 0.06 -0.76 -0.69 0.00 0.00 174.62 173.55 1t60 s LEU 210 N 1.39 3.78 0.47 4.42 1.43 -1.26 -5.13 118.68 123.78 1t60 s LEU 210 Ca 0.01 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1t60 s LEU 210 Cb -0.15 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1t60 s LEU 210 CO -0.09 0.24 0.12 -0.54 0.23 0.00 0.00 176.35 176.31 1t60 s LYS 211 N -1.89 2.16 0.28 1.70 1.02 -1.26 -4.90 119.74 116.85 1t60 s LYS 211 Ca 0.24 -2.12 -0.25 0.00 0.02 0.00 0.00 55.97 53.86 1t60 s LYS 211 Cb -0.12 -1.78 -0.16 0.00 -0.52 0.00 0.00 37.83 35.25 1t60 s LYS 211 CO 0.15 -0.26 0.35 0.00 -0.92 0.00 0.00 175.35 174.67 1t60 n ALA 212 N -1.27 -2.88 -3.11 5.17 0.00 -1.26 -2.66 120.51 114.49 1t60 n ALA 212 Ca -0.08 0.31 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 1t60 n ALA 212 Cb 0.66 -1.56 0.07 0.00 0.00 0.00 0.00 19.45 18.61 1t60 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 213 N 2.12 -0.49 0.00 0.00 0.00 -1.26 -4.75 105.19 100.81 1t60 n GLY 213 Ca 0.15 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1t60 n GLY 213 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t60 n GLU 214 N -3.35 0.00 0.06 1.61 2.13 -1.09 -5.06 120.64 114.95 1t60 n GLU 214 Ca -0.17 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.57 1t60 n GLU 214 Cb 0.63 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.28 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1t60 h LEU 215 N 0.00 -0.22 0.00 4.31 3.38 -1.85 -3.23 115.31 117.70 1t60 h LEU 215 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1t60 h LEU 215 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1t60 h LEU 215 CO 0.00 0.32 0.00 0.54 0.09 0.00 0.00 178.44 179.39 1t60 n ARG 216 N -4.94 0.06 0.20 1.13 1.74 -1.26 -2.21 116.66 111.39 1t60 n ARG 216 Ca -0.06 0.18 0.05 0.00 -0.77 0.00 0.00 57.85 57.25 1t60 n ARG 216 Cb 0.21 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.64 1t60 n ARG 216 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1t60 h THR 217 N 0.00 1.13 -0.26 0.55 1.35 -1.98 -2.75 112.91 110.95 1t60 h THR 217 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1t60 h THR 217 Cb 0.02 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1t60 h THR 217 CO 0.00 0.17 0.00 1.41 -0.25 0.00 0.00 175.52 176.85 1t60 n HIS 218 N -4.34 0.33 -3.52 4.73 8.25 -0.94 -4.91 115.22 114.83 1t60 n HIS 218 Ca -0.02 -0.23 -0.37 0.00 -0.26 0.00 0.00 57.72 56.84 1t60 n HIS 218 Cb 0.23 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.27 1t60 n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t60 s VAL 219 N -1.24 5.24 0.47 1.59 1.01 -1.04 -1.88 120.40 124.56 1t60 s VAL 219 Ca 0.27 0.65 -0.23 0.00 0.00 0.00 0.00 61.98 62.68 1t60 s VAL 219 Cb 0.16 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 1t60 s VAL 219 CO 0.23 0.45 1.18 -0.55 0.00 0.00 0.00 175.10 176.41 1t60 s SER 220 N -0.02 6.06 0.23 3.32 0.15 -0.35 -4.61 113.70 118.47 1t60 s SER 220 Ca 0.20 2.35 0.05 0.00 0.70 0.00 0.00 55.95 59.25 1t60 s SER 220 Cb -0.14 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 220 CO 0.07 -1.00 0.30 -0.13 1.20 0.00 0.00 173.24 173.69 1t60 s ARG 221 N -2.74 3.29 0.22 5.44 1.81 -0.97 -1.38 118.95 124.61 1t60 s ARG 221 Ca 0.65 -0.83 -0.07 0.00 -1.72 0.00 0.00 55.73 53.76 1t60 s ARG 221 Cb -0.30 -2.80 -0.02 0.00 -0.45 0.00 0.00 34.95 31.38 1t60 s ARG 221 CO 0.36 0.43 0.29 0.00 -0.68 0.00 0.00 175.30 175.70 1t60 s GLN 223 N -4.08 0.23 -0.23 0.00 0.74 -0.57 -1.70 119.66 114.06 1t60 s GLN 223 Ca 0.30 0.39 -0.13 0.00 0.05 0.00 0.00 55.36 55.97 1t60 s GLN 223 Cb 0.03 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 1t60 s GLN 223 CO 0.10 -0.08 0.29 0.08 -0.55 0.00 0.00 175.29 175.12 1t60 s VAL 224 N 0.58 5.27 0.17 1.34 1.01 0.11 -1.52 120.40 127.36 1t60 s VAL 224 Ca -0.04 0.45 0.11 0.00 0.00 0.00 0.00 61.98 62.50 1t60 s VAL 224 Cb -0.05 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1t60 s VAL 224 CO -0.03 0.29 -0.23 0.00 0.00 0.00 0.00 175.10 175.12 1t60 s MET 226 N -2.57 1.75 0.30 0.00 -2.45 0.30 -0.92 119.30 115.71 1t60 s MET 226 Ca 0.18 -0.76 -0.28 0.00 -1.25 0.00 0.00 55.69 53.57 1t60 s MET 226 Cb -0.08 -1.68 -0.13 0.00 1.25 0.00 0.00 34.83 34.19 1t60 s MET 226 CO 0.08 0.45 1.17 -2.13 1.05 0.00 0.00 175.02 175.64 1t60 n ARG 227 N 2.59 1.75 -0.14 4.11 3.00 -0.84 -0.34 116.66 126.79 1t60 n ARG 227 Ca -0.15 0.61 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 1t60 n ARG 227 Cb 0.53 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.88 1t60 n ARG 227 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52