#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 s PHE 6 N 0.00 3.14 0.05 1.61 0.40 -1.09 -4.85 117.98 117.23 1t60 s PHE 6 Ca 0.00 1.43 0.07 0.00 -0.60 0.00 0.00 56.93 57.83 1t60 s PHE 6 Cb 0.00 -2.89 -0.03 0.00 0.51 0.00 0.00 43.02 40.62 1t60 s PHE 6 CO 0.00 -1.16 -0.20 -0.51 0.70 0.00 0.00 175.22 174.06 1t60 s LEU 7 N -5.33 2.17 -0.02 -0.37 1.43 -1.26 0.68 118.68 115.98 1t60 s LEU 7 Ca 0.59 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1t60 s LEU 7 Cb -0.14 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1t60 s LEU 7 CO 0.52 0.14 -0.01 0.54 0.23 0.00 0.00 176.35 177.76 1t60 s VAL 8 N -0.82 0.22 -0.10 -1.59 0.11 -0.14 -4.89 120.40 113.20 1t60 s VAL 8 Ca 0.07 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1t60 s VAL 8 Cb -0.09 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1t60 s VAL 8 CO 0.02 0.13 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.99 1t60 s THR 9 N 0.72 3.93 0.01 5.04 2.01 -1.20 -0.42 115.64 125.72 1t60 s THR 9 Ca -0.07 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.62 1t60 s THR 9 Cb -0.11 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 1t60 s THR 9 CO -0.01 0.57 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.68 1t60 s ARG 10 N -0.51 1.61 -0.14 4.92 3.52 -0.26 -4.72 118.95 123.36 1t60 s ARG 10 Ca 0.08 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.87 1t60 s ARG 10 Cb -0.12 -1.62 0.00 0.00 -1.56 0.00 0.00 34.95 31.66 1t60 s ARG 10 CO 0.02 0.43 -0.19 -1.01 -0.81 0.00 0.00 175.30 173.74 1t60 s HIS 11 N -0.61 2.71 -0.16 5.12 3.76 -1.26 -0.98 115.29 123.87 1t60 s HIS 11 Ca 0.08 -1.20 0.20 0.00 -0.15 0.00 0.00 55.06 53.99 1t60 s HIS 11 Cb -0.08 -1.84 0.39 0.00 1.11 0.00 0.00 32.58 32.16 1t60 s HIS 11 CO 0.00 -0.54 1.60 0.66 -0.85 0.00 0.00 174.74 175.61 1t60 h SER 12 N 7.27 0.00 -2.05 1.40 4.64 -1.53 -3.46 113.55 119.82 1t60 h SER 12 Ca -0.32 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.60 1t60 h SER 12 Cb 1.19 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.21 1t60 h SER 12 CO 0.56 0.28 -0.45 0.00 -0.87 0.00 0.00 176.83 176.34 1t60 n GLN 13 N -3.22 -1.50 -4.18 4.77 6.02 -1.26 -4.94 117.38 113.06 1t60 n GLN 13 Ca 0.02 1.06 -0.15 0.00 -0.01 0.00 0.00 57.00 57.92 1t60 n GLN 13 Cb 0.59 -5.56 -0.07 0.00 1.02 0.00 0.00 30.24 26.22 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 -2.89 0.00 -1.18 5.09 -4.23 -1.26 -4.06 115.64 107.11 1t60 s THR 14 Ca 0.00 -1.82 0.27 0.00 -1.18 0.00 0.00 61.69 58.96 1t60 s THR 14 Cb 0.00 -2.52 0.33 0.00 1.34 0.00 0.00 72.50 71.65 1t60 s THR 14 CO 0.00 0.00 1.89 0.35 -0.54 0.00 0.00 174.62 176.32 1t60 n THR 15 N -0.50 0.14 -3.69 3.99 -2.24 -1.26 -1.91 114.28 108.80 1t60 n THR 15 Ca 0.03 0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 1t60 n THR 15 Cb 0.63 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.82 6.51 0.31 3.42 1.01 -1.26 -4.80 116.67 119.03 1t60 s ASP 16 Ca 0.18 0.60 -0.29 0.00 0.71 0.00 0.00 52.55 53.75 1t60 s ASP 16 Cb 0.18 -2.10 -0.10 0.00 1.01 0.00 0.00 42.92 41.91 1t60 s ASP 16 CO 0.46 0.11 1.30 -1.81 0.21 0.00 0.00 175.17 175.44 1t60 s ASP 17 N -2.21 6.82 0.65 0.27 1.01 -1.26 -4.49 116.67 117.45 1t60 s ASP 17 Ca 0.37 2.63 -0.09 0.00 0.71 0.00 0.00 52.55 56.17 1t60 s ASP 17 Cb -0.13 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.18 1t60 s ASP 17 CO 0.22 -0.52 1.00 -2.16 0.21 0.00 0.00 175.17 173.93 1t60 s PRO 18 N -1.49 2.86 -0.02 8.23 0.04 -1.26 -4.99 135.00 138.37 1t60 s PRO 18 Ca 0.50 0.21 -0.00 0.00 0.04 0.00 0.00 61.00 61.75 1t60 s PRO 18 Cb -0.39 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1t60 s PRO 18 CO 0.50 -0.89 0.03 -0.65 0.04 0.00 0.00 177.00 176.03 1t60 s GLN 19 N -5.18 2.95 0.31 4.56 -0.21 -1.26 -4.71 119.66 116.11 1t60 s GLN 19 Ca 0.56 -0.51 -0.29 0.00 0.02 0.00 0.00 55.36 55.14 1t60 s GLN 19 Cb -0.11 -2.78 -0.11 0.00 1.00 0.00 0.00 33.01 31.01 1t60 s GLN 19 CO 0.48 0.65 1.52 0.00 -2.12 0.00 0.00 175.29 175.83 1t60 n PRO 21 N 1.70 -0.17 -1.68 0.00 -0.02 -1.26 -4.82 135.00 128.74 1t60 n PRO 21 Ca 0.06 0.02 -0.45 0.00 -2.02 0.00 0.00 63.50 61.11 1t60 n PRO 21 Cb 0.39 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1t60 n PRO 21 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1t60 n PRO 22 N -3.51 2.34 -0.00 0.52 -0.02 -1.26 -1.63 135.00 131.44 1t60 n PRO 22 Ca 0.12 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1t60 n PRO 22 Cb 0.51 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1t60 n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t60 n GLY 23 N 3.69 0.32 3.34 -1.23 0.00 -1.26 -4.96 105.19 105.09 1t60 n GLY 23 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.01 1.98 -0.06 2.61 -4.23 -0.65 -4.32 115.64 108.96 1t60 s THR 24 Ca 0.00 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1t60 s THR 24 Cb 0.00 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 1t60 s THR 24 CO 0.00 -0.01 -0.16 -1.59 -0.54 0.00 0.00 174.62 172.32 1t60 s LYS 25 N -2.04 2.59 0.43 3.99 -2.85 -0.65 -4.68 119.74 116.53 1t60 s LYS 25 Ca 0.11 -0.73 -0.25 0.00 -1.00 0.00 0.00 55.97 54.10 1t60 s LYS 25 Cb -0.10 -2.37 -0.08 0.00 -2.06 0.00 0.00 37.83 33.23 1t60 s LYS 25 CO 0.05 0.54 1.26 -1.50 0.10 0.00 0.00 175.35 175.81 1t60 s ILE 26 N -0.52 2.73 -0.06 3.79 -1.16 -1.26 0.32 121.20 125.03 1t60 s ILE 26 Ca 0.07 0.61 -0.01 0.00 -0.51 0.00 0.00 60.65 60.82 1t60 s ILE 26 Cb -0.12 -3.34 -0.04 0.00 0.61 0.00 0.00 42.46 39.58 1t60 s ILE 26 CO 0.01 0.05 -0.06 0.18 -2.81 0.00 0.00 174.94 172.32 1t60 n LEU 27 N -0.15 2.30 -3.62 8.50 4.77 -0.18 -4.81 117.00 123.80 1t60 n LEU 27 Ca 0.05 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 1t60 n LEU 27 Cb 0.45 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1t60 n LEU 27 CO 0.53 0.47 1.12 -0.72 -1.33 0.00 0.00 177.39 177.46 1t60 s TYR 28 N -2.12 -0.06 0.42 -1.77 -0.85 -1.21 -5.03 117.35 106.74 1t60 s TYR 28 Ca -0.08 0.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.57 1t60 s TYR 28 Cb 0.02 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 1t60 s TYR 28 CO 0.13 -0.09 0.29 -1.01 -1.52 0.00 0.00 175.55 173.35 1t60 s HIS 29 N -2.18 2.58 0.00 -3.49 3.76 -1.26 -1.44 115.29 113.25 1t60 s HIS 29 Ca 0.11 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1t60 s HIS 29 Cb -0.01 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.63 1t60 s HIS 29 CO -0.03 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 1t60 n GLY 30 N -1.42 1.03 3.67 -2.22 0.00 -0.67 -4.47 105.19 101.11 1t60 n GLY 30 Ca 0.01 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.19 3.07 -0.67 1.61 2.02 0.16 -1.12 117.35 120.23 1t60 s TYR 31 Ca 0.00 0.08 -0.27 0.00 -0.37 0.00 0.00 57.07 56.51 1t60 s TYR 31 Cb 0.00 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1t60 s TYR 31 CO 0.00 0.45 1.46 -1.12 -1.57 0.00 0.00 175.55 174.76 1t60 s SER 32 N -1.40 5.93 -0.22 2.29 0.01 -0.36 -1.61 113.70 118.33 1t60 s SER 32 Ca 0.18 -0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.17 1t60 s SER 32 Cb -0.11 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 1t60 s SER 32 CO 0.08 -1.94 0.58 -0.22 0.41 0.00 0.00 173.24 172.15 1t60 s LEU 33 N 6.65 4.11 -0.17 2.44 2.96 0.13 -1.36 118.68 133.44 1t60 s LEU 33 Ca 0.47 0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 54.95 1t60 s LEU 33 Cb -0.10 -2.79 -0.10 0.00 0.50 0.00 0.00 46.19 43.70 1t60 s LEU 33 CO 0.19 -0.27 0.01 0.25 -1.32 0.00 0.00 176.35 175.21 1t60 h LEU 34 N 8.36 0.00 -7.58 -0.68 5.85 -0.94 -3.41 115.31 116.91 1t60 h LEU 34 Ca -0.31 -0.23 0.17 0.00 0.84 0.00 0.00 57.88 58.35 1t60 h LEU 34 Cb 1.14 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 1t60 h LEU 34 CO 0.75 1.08 0.48 -0.72 -0.34 0.00 0.00 178.44 179.70 1t60 s TYR 35 N -2.28 -0.16 0.26 1.25 1.13 -1.06 -1.90 117.35 114.60 1t60 s TYR 35 Ca -0.21 -0.13 0.07 0.00 -1.41 0.00 0.00 57.07 55.40 1t60 s TYR 35 Cb 0.04 0.63 -0.06 0.00 -1.10 0.00 0.00 41.96 41.47 1t60 s TYR 35 CO 0.38 -0.80 -0.08 0.14 -2.51 0.00 0.00 175.55 172.68 1t60 s VAL 36 N -3.28 1.70 -0.16 -3.49 -7.23 -0.23 0.03 120.40 107.75 1t60 s VAL 36 Ca 0.11 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 58.09 1t60 s VAL 36 Cb -0.01 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.62 1t60 s VAL 36 CO 0.01 -0.36 0.07 -1.58 -0.31 0.00 0.00 175.10 172.93 1t60 s GLN 37 N -3.70 0.19 -0.06 4.82 0.74 -0.61 -0.75 119.66 120.30 1t60 s GLN 37 Ca 0.28 -0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.64 1t60 s GLN 37 Cb 0.02 -1.71 -0.00 0.00 1.10 0.00 0.00 33.01 32.42 1t60 s GLN 37 CO 0.11 -0.61 -0.20 0.20 -0.55 0.00 0.00 175.29 174.24 1t60 s GLY 38 N 2.08 1.09 -1.44 2.59 0.00 -0.31 -1.64 107.32 109.69 1t60 s GLY 38 Ca 0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 1t60 s GLY 38 CO -0.08 -0.36 0.70 -2.01 0.00 0.00 0.00 173.10 171.35 1t60 n ASN 39 N 3.27 -4.93 -0.22 1.64 4.05 -1.26 -1.09 115.26 116.72 1t60 n ASN 39 Ca -0.19 -0.47 -0.03 0.00 0.45 0.00 0.00 54.58 54.34 1t60 n ASN 39 Cb 0.53 -3.99 -0.01 0.00 1.23 0.00 0.00 39.78 37.54 1t60 n ASN 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1t60 n GLU 40 N -4.16 -1.22 -3.95 1.20 1.02 -1.26 -4.99 120.64 107.28 1t60 n GLU 40 Ca -0.03 0.46 -0.35 0.00 -0.02 0.00 0.00 57.16 57.22 1t60 n GLU 40 Cb 0.56 -4.45 -0.12 0.00 -0.02 0.00 0.00 31.44 27.41 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 -1.68 3.65 0.16 3.49 6.06 -0.25 -5.02 118.95 125.35 1t60 s ARG 41 Ca 0.00 -0.50 -0.17 0.00 -2.50 0.00 0.00 55.73 52.56 1t60 s ARG 41 Cb 0.00 -3.17 -0.07 0.00 0.06 0.00 0.00 34.95 31.77 1t60 s ARG 41 CO 0.00 -0.04 0.61 0.00 -2.50 0.00 0.00 175.30 173.37 1t60 s ALA 42 N 1.18 3.53 -0.06 6.12 0.00 -1.26 -1.16 121.76 130.10 1t60 s ALA 42 Ca 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1t60 s ALA 42 Cb -0.14 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.37 1t60 s ALA 42 CO 0.02 0.40 0.10 -1.58 0.00 0.00 0.00 175.76 174.70 1t60 s HIS 43 N -1.40 -0.03 0.46 0.00 2.46 0.07 -4.92 115.29 111.93 1t60 s HIS 43 Ca 0.38 0.38 0.08 0.00 0.47 0.00 0.00 55.06 56.36 1t60 s HIS 43 Cb -0.17 -0.40 0.02 0.00 -0.13 0.00 0.00 32.58 31.90 1t60 s HIS 43 CO 0.20 -0.23 0.56 0.20 -2.47 0.00 0.00 174.74 173.00 1t60 s GLY 44 N 2.22 1.98 -0.13 1.59 0.00 -1.26 -1.07 107.32 110.64 1t60 s GLY 44 Ca 0.04 -1.80 -0.00 0.00 0.00 0.00 0.00 44.72 42.96 1t60 s GLY 44 CO -0.04 -1.62 -0.10 1.20 0.00 0.00 0.00 173.10 172.54 1t60 s GLN 45 N -4.36 1.82 0.09 2.90 -1.52 -0.80 -4.97 119.66 112.82 1t60 s GLN 45 Ca 0.53 -0.39 -0.33 0.00 -1.95 0.00 0.00 55.36 53.22 1t60 s GLN 45 Cb -0.07 -1.82 -0.12 0.00 -0.22 0.00 0.00 33.01 30.78 1t60 s GLN 45 CO 0.32 -0.27 1.75 -3.47 -0.25 0.00 0.00 175.29 173.37 1t60 n ASP 46 N 4.87 3.54 0.00 5.90 2.03 -1.26 -4.68 116.55 126.94 1t60 n ASP 46 Ca -0.14 1.02 0.01 0.00 0.52 0.00 0.00 54.79 56.20 1t60 n ASP 46 Cb 0.50 -1.46 0.04 0.00 -0.72 0.00 0.00 41.12 39.48 1t60 n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1t60 n LEU 47 N 4.98 0.00 -0.71 -2.67 4.77 -1.26 -1.12 117.00 120.99 1t60 n LEU 47 Ca 0.19 0.45 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1t60 n LEU 47 Cb 0.32 -0.45 0.19 0.00 -2.33 0.00 0.00 43.42 41.15 1t60 n LEU 47 CO 0.67 -0.42 0.62 0.61 -1.33 0.00 0.00 177.39 177.53 1t60 n GLY 48 N -1.27 0.48 3.75 -0.72 0.00 -1.26 -4.43 105.19 101.74 1t60 n GLY 48 Ca 0.01 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.13 3.62 0.50 2.61 -4.23 -0.28 -3.26 115.64 112.47 1t60 s THR 49 Ca 0.28 -1.62 0.37 0.00 -1.18 0.00 0.00 61.69 59.54 1t60 s THR 49 Cb 0.20 -3.09 0.39 0.00 1.34 0.00 0.00 72.50 71.34 1t60 s THR 49 CO 0.38 -0.28 2.23 0.00 -0.54 0.00 0.00 174.62 176.41 1t60 h ALA 50 N 1.58 1.13 0.00 3.99 0.00 -1.92 -2.49 119.26 121.55 1t60 h ALA 50 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t60 h ALA 50 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1t60 h ALA 50 CO 0.61 0.03 0.00 0.78 0.00 0.00 0.00 179.25 180.67 1t60 h GLY 51 N 0.54 0.00 -1.27 0.00 0.00 -1.95 -1.86 103.07 98.54 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 -3.06 1.85 -3.77 0.19 3.41 -0.94 -4.65 113.62 106.65 1t60 n SER 52 Ca -0.01 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.31 1t60 n SER 52 Cb 0.20 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.20 4.33 0.39 0.00 1.43 -0.64 -4.81 118.68 120.58 1t60 s LEU 54 Ca 0.12 0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1t60 s LEU 54 Cb -0.19 -2.21 0.78 0.00 0.03 0.00 0.00 46.19 44.60 1t60 s LEU 54 CO -0.16 0.28 2.01 0.03 0.23 0.00 0.00 176.35 178.74 1t60 h ARG 55 N 5.65 0.54 -6.13 1.70 3.08 -1.88 0.47 114.38 117.81 1t60 h ARG 55 Ca -0.49 -0.05 -0.65 0.00 0.07 0.00 0.00 59.98 58.86 1t60 h ARG 55 Cb 1.20 -0.11 -0.30 0.00 0.08 0.00 0.00 29.97 30.83 1t60 h ARG 55 CO 0.66 0.41 -0.87 0.15 -1.07 0.00 0.00 179.97 179.25 1t60 s LYS 56 N -5.34 2.07 0.23 0.04 1.02 -1.26 -4.62 119.74 111.88 1t60 s LYS 56 Ca -0.08 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.10 1t60 s LYS 56 Cb 0.17 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1t60 s LYS 56 CO 0.74 0.44 0.39 0.12 -0.92 0.00 0.00 175.35 176.12 1t60 s PHE 57 N -0.38 3.48 -0.25 3.18 2.19 -1.26 -4.91 117.98 120.03 1t60 s PHE 57 Ca 0.04 0.19 -0.27 0.00 0.33 0.00 0.00 56.93 57.21 1t60 s PHE 57 Cb -0.11 -1.74 0.15 0.00 -1.31 0.00 0.00 43.02 40.02 1t60 s PHE 57 CO 0.01 0.38 1.17 0.45 1.83 0.00 0.00 175.22 179.05 1t60 s SER 58 N -3.60 -0.27 0.50 6.13 0.15 -1.26 -5.00 113.70 110.35 1t60 s SER 58 Ca 0.37 0.43 0.33 0.00 0.70 0.00 0.00 55.95 57.78 1t60 s SER 58 Cb -0.10 0.40 1.52 0.00 -1.71 0.00 0.00 66.02 66.14 1t60 s SER 58 CO 0.30 -0.16 2.00 0.71 1.20 0.00 0.00 173.24 177.29 1t60 h THR 59 N 2.93 0.00 -2.52 6.45 1.35 -1.94 -3.30 112.91 115.88 1t60 h THR 59 Ca -0.22 -0.30 -0.59 0.00 -0.55 0.00 0.00 66.41 64.75 1t60 h THR 59 Cb 1.18 1.20 -0.39 0.00 -1.73 0.00 0.00 68.15 68.41 1t60 h THR 59 CO 0.20 0.00 -0.89 -0.32 -0.25 0.00 0.00 175.52 174.26 1t60 s MET 60 N -3.70 0.96 0.00 4.72 -2.45 -1.26 -4.16 119.30 113.41 1t60 s MET 60 Ca 0.00 -1.99 0.16 0.00 -1.25 0.00 0.00 55.69 52.61 1t60 s MET 60 Cb 0.10 -1.61 0.88 0.00 1.25 0.00 0.00 34.83 35.45 1t60 s MET 60 CO 0.45 -1.32 1.58 -0.35 1.05 0.00 0.00 175.02 176.43 1t60 n PRO 61 N 3.14 1.11 -4.20 4.11 -0.04 -1.25 -4.89 135.00 132.99 1t60 n PRO 61 Ca 0.23 -0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1t60 n PRO 61 Cb 0.43 -1.26 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.96 1.11 0.17 0.54 -0.71 -1.26 -5.09 117.98 110.78 1t60 s PHE 62 Ca 0.24 -1.31 -0.03 0.00 -1.04 0.00 0.00 56.93 54.80 1t60 s PHE 62 Cb 0.11 -0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 41.32 1t60 s PHE 62 CO 0.19 -0.56 0.14 -0.48 -1.34 0.00 0.00 175.22 173.16 1t60 s LEU 63 N -3.14 1.32 0.09 -1.99 0.05 -1.26 -4.53 118.68 109.21 1t60 s LEU 63 Ca 0.34 -1.24 0.06 0.00 0.05 0.00 0.00 54.13 53.35 1t60 s LEU 63 Cb 0.07 0.52 -0.03 0.00 -2.05 0.00 0.00 46.19 44.70 1t60 s LEU 63 CO 0.09 -0.82 -0.17 0.72 -0.55 0.00 0.00 176.35 175.62 1t60 s PHE 64 N -4.09 1.47 0.18 3.48 -0.12 -0.88 -4.99 117.98 113.03 1t60 s PHE 64 Ca 0.30 -0.45 0.08 0.00 -0.05 0.00 0.00 56.93 56.80 1t60 s PHE 64 Cb 0.06 -0.81 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 1t60 s PHE 64 CO 0.07 0.13 -0.15 0.00 -0.05 0.00 0.00 175.22 175.21 1t60 s ASN 66 N -3.00 2.41 0.53 0.00 2.47 -0.78 -5.00 114.94 111.57 1t60 s ASN 66 Ca 0.18 -1.14 0.33 0.00 0.42 0.00 0.00 52.86 52.66 1t60 s ASN 66 Cb -0.03 -0.10 1.82 0.00 -1.45 0.00 0.00 41.25 41.49 1t60 s ASN 66 CO 0.06 -0.34 2.02 0.16 -3.72 0.00 0.00 177.10 175.28 1t60 h ILE 67 N 2.44 0.00 -0.05 -5.21 3.07 -2.02 -0.20 117.51 115.54 1t60 h ILE 67 Ca -0.39 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.02 1t60 h ILE 67 Cb 1.22 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 1t60 h ILE 67 CO 0.65 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.29 1t60 n ASN 68 N -2.71 0.78 -3.71 2.16 2.04 -1.26 -4.87 115.26 107.69 1t60 n ASN 68 Ca -0.02 -2.03 -0.26 0.00 -0.44 0.00 0.00 54.58 51.82 1t60 n ASN 68 Cb 0.10 -0.27 0.03 0.00 -2.53 0.00 0.00 39.78 37.11 1t60 n ASN 68 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1t60 n ASN 69 N -0.16 -3.30 -3.76 0.53 3.02 -0.09 -5.00 115.26 106.50 1t60 n ASN 69 Ca 0.02 -0.94 -0.16 0.00 -0.03 0.00 0.00 54.58 53.47 1t60 n ASN 69 Cb 0.17 -3.61 -0.16 0.00 -0.61 0.00 0.00 39.78 35.57 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1t60 s VAL 70 N -3.62 -0.05 0.03 2.41 1.01 -1.24 -5.00 120.40 113.93 1t60 s VAL 70 Ca 0.26 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.53 1t60 s VAL 70 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 1t60 s VAL 70 CO 0.85 0.10 -0.15 0.00 0.00 0.00 0.00 175.10 175.90 1t60 s ASN 72 N -1.40 2.51 -0.14 0.00 0.01 0.58 -4.99 114.94 111.52 1t60 s ASN 72 Ca 0.15 -0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 51.85 1t60 s ASN 72 Cb -0.11 -1.14 -0.01 0.00 0.41 0.00 0.00 41.25 40.40 1t60 s ASN 72 CO 0.06 0.06 -0.12 0.12 -1.51 0.00 0.00 177.10 175.71 1t60 s PHE 73 N 0.72 2.84 -1.27 2.20 5.36 -1.26 -2.07 117.98 124.51 1t60 s PHE 73 Ca -0.12 -0.67 -0.11 0.00 -0.96 0.00 0.00 56.93 55.07 1t60 s PHE 73 Cb -0.16 -1.88 0.09 0.00 -0.34 0.00 0.00 43.02 40.73 1t60 s PHE 73 CO 0.02 -0.25 0.48 0.00 -1.46 0.00 0.00 175.22 174.02 1t60 n ALA 74 N 3.67 -1.08 -1.16 11.12 0.00 -1.26 -4.84 120.51 126.96 1t60 n ALA 74 Ca -0.18 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.36 1t60 n ALA 74 Cb 0.52 -2.61 0.21 0.00 0.00 0.00 0.00 19.45 17.58 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 -2.26 2.97 0.00 0.00 7.64 -1.26 -4.85 113.62 115.86 1t60 n SER 75 Ca 0.01 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1t60 n SER 75 Cb 0.52 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.96 0.00 -2.78 1.43 0.63 -1.26 -5.09 116.66 108.63 1t60 n ARG 76 Ca 0.22 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.05 1t60 n ARG 76 Cb 0.83 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.78 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 0.37 -4.97 6.15 5.03 -1.26 -4.95 115.26 115.64 1t60 n ASN 77 Ca 0.00 -2.79 -0.21 0.00 0.87 0.00 0.00 54.58 52.45 1t60 n ASN 77 Cb 0.00 -0.06 0.01 0.00 -1.02 0.00 0.00 39.78 38.72 1t60 n ASN 77 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1t60 s ASP 78 N -2.47 5.76 0.25 6.41 -0.00 -1.26 -4.90 116.67 120.46 1t60 s ASP 78 Ca 0.28 0.10 0.06 0.00 -0.00 0.00 0.00 52.55 52.99 1t60 s ASP 78 Cb 0.41 -1.31 -0.05 0.00 -0.00 0.00 0.00 42.92 41.97 1t60 s ASP 78 CO -0.02 -0.72 -0.07 -0.31 -0.00 0.00 0.00 175.17 174.06 1t60 s TYR 79 N -2.50 1.83 -0.04 4.23 1.51 -0.65 -1.27 117.35 120.47 1t60 s TYR 79 Ca 0.49 -0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1t60 s TYR 79 Cb -0.10 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.75 1t60 s TYR 79 CO 0.36 0.24 0.10 -1.54 -1.11 0.00 0.00 175.55 173.61 1t60 s SER 80 N -3.39 -0.09 -0.06 2.29 1.04 -0.78 -1.57 113.70 111.15 1t60 s SER 80 Ca 0.28 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.92 1t60 s SER 80 Cb 0.03 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 1t60 s SER 80 CO 0.10 -0.06 -0.19 -0.31 0.98 0.00 0.00 173.24 173.76 1t60 s TYR 81 N -0.05 1.92 0.07 5.02 2.02 0.10 -1.17 117.35 125.27 1t60 s TYR 81 Ca -0.01 -0.61 0.06 0.00 -0.37 0.00 0.00 57.07 56.14 1t60 s TYR 81 Cb -0.01 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1t60 s TYR 81 CO 0.00 -0.22 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.01 1t60 s TRP 82 N 0.12 1.46 0.33 2.71 0.52 -0.95 -0.28 118.94 122.85 1t60 s TRP 82 Ca -0.07 -0.41 -0.29 0.00 0.02 0.00 0.00 56.10 55.35 1t60 s TRP 82 Cb -0.13 -0.83 -0.10 0.00 -1.15 0.00 0.00 33.47 31.25 1t60 s TRP 82 CO 0.03 0.10 1.39 -1.17 0.02 0.00 0.00 176.95 177.33 1t60 s LEU 83 N -1.59 4.39 0.44 2.99 2.96 -0.46 -0.83 118.68 126.57 1t60 s LEU 83 Ca 0.02 2.80 0.07 0.00 -0.22 0.00 0.00 54.13 56.80 1t60 s LEU 83 Cb -0.09 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1t60 s LEU 83 CO 0.03 -0.68 0.26 -0.94 -1.32 0.00 0.00 176.35 173.70 1t60 s SER 84 N -0.20 4.61 0.56 3.68 1.04 0.29 -1.40 113.70 122.29 1t60 s SER 84 Ca 0.52 -1.04 0.08 0.00 0.48 0.00 0.00 55.95 55.99 1t60 s SER 84 Cb -0.42 -0.33 0.10 0.00 0.10 0.00 0.00 66.02 65.46 1t60 s SER 84 CO 0.54 -0.67 0.77 0.35 0.98 0.00 0.00 173.24 175.21 1t60 n THR 85 N -1.40 0.00 1.40 2.02 -2.24 -0.30 -4.58 114.28 109.18 1t60 n THR 85 Ca -0.01 -1.76 0.12 0.00 -2.27 0.00 0.00 64.05 60.13 1t60 n THR 85 Cb 0.64 -0.59 0.68 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.25 0.67 -1.68 -0.78 -0.02 -1.26 -4.87 135.00 124.83 1t60 n PRO 86 Ca 0.15 0.01 -0.51 0.00 -2.02 0.00 0.00 63.50 61.13 1t60 n PRO 86 Cb 0.56 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.04 1.70 -1.96 -0.52 4.07 -1.26 -4.94 120.64 116.69 1t60 n GLU 87 Ca 0.17 0.62 -0.32 0.00 -0.06 0.00 0.00 57.16 57.57 1t60 n GLU 87 Cb 0.10 -2.37 0.01 0.00 -0.06 0.00 0.00 31.44 29.12 1t60 n GLU 87 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1t60 s PRO 88 N 2.85 3.36 0.45 5.31 0.04 -1.26 -4.98 135.00 140.76 1t60 s PRO 88 Ca 0.91 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.74 1t60 s PRO 88 Cb -0.85 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 31.57 1t60 s PRO 88 CO 0.53 -0.76 1.29 -1.64 0.04 0.00 0.00 177.00 176.46 1t60 s MET 89 N -4.48 3.74 0.87 4.56 -1.94 -1.26 -4.96 119.30 115.82 1t60 s MET 89 Ca 0.60 2.10 -0.12 0.00 -1.71 0.00 0.00 55.69 56.56 1t60 s MET 89 Cb -0.14 -2.58 0.09 0.00 2.01 0.00 0.00 34.83 34.21 1t60 s MET 89 CO 0.43 -0.66 0.98 -2.30 -0.01 0.00 0.00 175.02 173.46 1t60 n PRO 90 N -0.25 -0.12 -0.21 2.03 -0.02 -1.26 -4.85 135.00 130.32 1t60 n PRO 90 Ca 0.06 0.03 0.01 0.00 -2.02 0.00 0.00 63.50 61.58 1t60 n PRO 90 Cb 0.45 -2.26 0.12 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.33 0.39 0.00 -0.52 1.85 -1.98 -1.22 114.93 112.12 1t60 h MET 91 Ca -0.45 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 58.61 1t60 h MET 91 Cb 1.29 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 33.23 1t60 h MET 91 CO 0.42 0.26 -0.04 0.66 -0.40 0.00 0.00 176.91 177.80 1t60 h SER 92 N 0.40 0.00 -0.56 1.39 4.64 -2.03 -3.45 113.55 113.94 1t60 h SER 92 Ca 0.33 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.41 1t60 h SER 92 Cb 0.44 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.43 1t60 h SER 92 CO -0.34 0.04 -0.22 0.23 -0.87 0.00 0.00 176.83 175.68 1t60 n MET 93 N -3.88 -1.15 -2.85 4.77 0.00 -0.46 -4.98 117.12 108.56 1t60 n MET 93 Ca -0.03 0.88 -0.25 0.00 0.00 0.00 0.00 57.70 58.30 1t60 n MET 93 Cb 0.13 -5.01 0.00 0.00 0.00 0.00 0.00 33.22 28.34 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 -2.27 3.53 0.43 3.04 0.00 -1.26 -4.99 121.76 120.24 1t60 s ALA 94 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 1t60 s ALA 94 Cb 0.00 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.64 1t60 s ALA 94 CO 0.00 -0.34 1.15 -2.30 0.00 0.00 0.00 175.76 174.27 1t60 n PRO 95 N -2.16 1.63 -3.50 0.00 -0.02 -1.26 -4.84 135.00 124.84 1t60 n PRO 95 Ca -0.00 0.58 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 1t60 n PRO 95 Cb 0.56 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.24 5.03 0.20 4.25 1.01 0.19 -4.86 121.20 125.77 1t60 s ILE 96 Ca 0.63 0.82 0.03 0.00 0.00 0.00 0.00 60.65 62.13 1t60 s ILE 96 Cb -0.52 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1t60 s ILE 96 CO 0.57 0.56 -0.02 0.42 0.00 0.00 0.00 174.94 176.47 1t60 s THR 97 N -1.10 0.95 0.00 2.92 -4.23 -1.26 -1.44 115.64 111.48 1t60 s THR 97 Ca 0.24 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1t60 s THR 97 Cb -0.17 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1t60 s THR 97 CO 0.14 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1t60 n GLY 98 N -0.32 1.97 0.25 3.99 0.00 -1.26 -1.95 105.19 107.87 1t60 n GLY 98 Ca -0.06 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.26 114.58 117.33 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 -0.05 1.42 2.35 -1.80 -2.63 115.58 114.88 1t60 h ASN 100 Ca 0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 1t60 h ASN 100 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1t60 h ASN 100 CO 0.00 0.00 -0.83 0.40 -1.65 0.00 0.00 177.43 175.35 1t60 h ILE 101 N 0.00 1.30 -0.91 2.81 2.04 -1.30 -3.36 117.51 118.09 1t60 h ILE 101 Ca 0.00 -2.06 0.26 0.00 1.00 0.00 0.00 64.86 64.06 1t60 h ILE 101 Cb 0.24 2.08 -0.17 0.00 -0.74 0.00 0.00 36.82 38.24 1t60 h ILE 101 CO 0.00 0.65 0.06 -1.14 0.00 0.00 0.00 178.15 177.71 1t60 n ARG 102 N -3.90 -0.07 0.32 2.37 3.00 -0.99 -0.52 116.66 116.87 1t60 n ARG 102 Ca -0.08 1.35 0.21 0.00 -0.00 0.00 0.00 57.85 59.34 1t60 n ARG 102 Cb 0.77 -2.17 1.06 0.00 0.00 0.00 0.00 32.46 32.11 1t60 n ARG 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1t60 h PRO 103 N 0.00 0.00 0.00 -0.14 0.11 -1.77 -3.04 132.00 127.15 1t60 h PRO 103 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1t60 h PRO 103 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1t60 h PRO 103 CO -0.84 0.00 -0.91 1.19 -0.21 0.00 0.00 178.00 177.22 1t60 n PHE 104 N -3.05 0.32 -3.29 0.65 3.01 0.32 -4.57 117.46 110.85 1t60 n PHE 104 Ca -0.02 0.09 -0.39 0.00 1.01 0.00 0.00 57.45 58.15 1t60 n PHE 104 Cb 0.14 -0.47 -0.07 0.00 -0.01 0.00 0.00 39.48 39.07 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 -3.18 5.15 0.56 4.37 -1.09 -1.15 -1.16 121.20 124.70 1t60 s ILE 105 Ca 0.05 0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 59.19 1t60 s ILE 105 Cb 0.14 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1t60 s ILE 105 CO 0.78 0.24 1.11 -0.55 -1.23 0.00 0.00 174.94 175.29 1t60 s SER 106 N 0.94 5.69 0.29 3.58 0.15 -0.49 -4.41 113.70 119.45 1t60 s SER 106 Ca 0.24 2.10 0.07 0.00 0.70 0.00 0.00 55.95 59.07 1t60 s SER 106 Cb -0.15 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1t60 s SER 106 CO 0.10 -1.23 0.24 -0.13 1.20 0.00 0.00 173.24 173.41 1t60 s ARG 107 N -3.45 2.84 0.15 5.44 1.81 -0.80 -1.23 118.95 123.71 1t60 s ARG 107 Ca 0.71 -1.15 -0.06 0.00 -1.72 0.00 0.00 55.73 53.51 1t60 s ARG 107 Cb -0.22 -2.53 -0.02 0.00 -0.45 0.00 0.00 34.95 31.73 1t60 s ARG 107 CO 0.29 0.27 0.18 0.00 -0.68 0.00 0.00 175.30 175.36 1t60 s ALA 109 N -4.00 0.37 -0.31 0.00 0.00 -0.15 -1.66 121.76 116.01 1t60 s ALA 109 Ca 0.19 -0.00 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 1t60 s ALA 109 Cb 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1t60 s ALA 109 CO 0.00 0.00 0.14 0.08 0.00 0.00 0.00 175.76 175.99 1t60 s VAL 110 N 0.54 4.51 0.09 0.00 1.01 -0.52 -1.10 120.40 124.92 1t60 s VAL 110 Ca -0.06 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1t60 s VAL 110 Cb -0.09 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1t60 s VAL 110 CO -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 175.10 175.07 1t60 s GLU 112 N -2.12 4.22 0.04 0.00 2.12 0.15 -0.96 118.70 122.15 1t60 s GLU 112 Ca 0.22 0.46 0.07 0.00 0.36 0.00 0.00 54.97 56.07 1t60 s GLU 112 Cb -0.11 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 1t60 s GLU 112 CO 0.14 0.34 -0.18 0.00 -0.54 0.00 0.00 175.26 175.02 1t60 s ALA 113 N 0.04 2.61 0.35 6.30 0.00 0.21 -1.63 121.76 129.64 1t60 s ALA 113 Ca 0.25 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1t60 s ALA 113 Cb -0.16 -0.75 0.66 0.00 0.00 0.00 0.00 23.12 22.87 1t60 s ALA 113 CO 0.12 0.57 1.84 -1.35 0.00 0.00 0.00 175.76 176.94 1t60 h PRO 114 N 4.54 0.28 0.00 0.00 0.11 -1.85 -2.88 132.00 132.19 1t60 h PRO 114 Ca -0.48 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 65.44 1t60 h PRO 114 Cb 1.16 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1t60 h PRO 114 CO 0.48 0.47 -0.10 0.00 -0.21 0.00 0.00 178.00 178.64 1t60 n ALA 115 N -2.48 0.12 -1.76 -0.75 0.00 -1.26 -4.83 120.51 109.55 1t60 n ALA 115 Ca -0.01 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.56 1t60 n ALA 115 Cb 0.33 0.40 0.01 0.00 0.00 0.00 0.00 19.45 20.18 1t60 n ALA 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1t60 s MET 116 N -2.32 3.72 -0.01 0.00 1.75 -1.26 -4.70 119.30 116.48 1t60 s MET 116 Ca 0.10 2.14 0.06 0.00 -1.25 0.00 0.00 55.69 56.74 1t60 s MET 116 Cb 0.00 -2.58 -0.02 0.00 2.84 0.00 0.00 34.83 35.08 1t60 s MET 116 CO 0.07 -0.69 -0.20 0.08 -0.65 0.00 0.00 175.02 173.63 1t60 s VAL 117 N -1.31 1.60 0.29 10.11 1.01 -1.26 -2.07 120.40 128.77 1t60 s VAL 117 Ca 0.62 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1t60 s VAL 117 Cb -0.38 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 1t60 s VAL 117 CO 0.47 0.45 0.47 0.00 0.00 0.00 0.00 175.10 176.48 1t60 s MET 118 N -0.49 1.72 0.10 2.72 0.23 -0.52 -4.82 119.30 118.24 1t60 s MET 118 Ca 0.08 -1.52 0.09 0.00 -1.03 0.00 0.00 55.69 53.31 1t60 s MET 118 Cb -0.08 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 1t60 s MET 118 CO -0.01 -0.71 -0.24 0.00 -2.03 0.00 0.00 175.02 172.03 1t60 s ALA 119 N -3.50 2.09 0.05 3.16 0.00 -0.37 -0.28 121.76 122.92 1t60 s ALA 119 Ca 0.27 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 50.97 1t60 s ALA 119 Cb -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1t60 s ALA 119 CO 0.14 0.46 -0.16 0.14 0.00 0.00 0.00 175.76 176.35 1t60 s VAL 120 N -1.03 1.25 -0.02 0.00 -7.23 -0.61 -4.45 120.40 108.31 1t60 s VAL 120 Ca 0.10 -1.16 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1t60 s VAL 120 Cb -0.10 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 1t60 s VAL 120 CO 0.04 -0.03 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.57 1t60 s HIS 121 N -0.98 2.03 -0.01 2.82 3.76 -1.26 -1.74 115.29 119.91 1t60 s HIS 121 Ca 0.02 -0.38 0.09 0.00 -0.15 0.00 0.00 55.06 54.63 1t60 s HIS 121 Cb -0.09 -1.31 -0.23 0.00 1.11 0.00 0.00 32.58 32.06 1t60 s HIS 121 CO 0.02 -0.03 0.79 0.66 -0.85 0.00 0.00 174.74 175.32 1t60 h SER 122 N 5.55 0.07 -1.43 1.40 4.64 -1.34 -3.47 113.55 118.97 1t60 h SER 122 Ca -0.41 -0.12 -0.29 0.00 -0.47 0.00 0.00 61.79 60.50 1t60 h SER 122 Cb 1.13 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 1t60 h SER 122 CO 0.47 1.11 -0.32 0.00 -0.87 0.00 0.00 176.83 177.22 1t60 n GLN 123 N -3.18 -1.09 -4.13 4.77 6.02 -1.26 -4.95 117.38 113.57 1t60 n GLN 123 Ca -0.14 0.85 -0.16 0.00 -0.01 0.00 0.00 57.00 57.54 1t60 n GLN 123 Cb 1.03 -5.07 -0.05 0.00 1.02 0.00 0.00 30.24 27.17 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 -2.64 0.00 -1.48 5.09 -4.23 -1.26 -0.66 115.64 110.46 1t60 s THR 124 Ca 0.00 -1.69 0.30 0.00 -1.18 0.00 0.00 61.69 59.12 1t60 s THR 124 Cb 0.00 -2.61 0.48 0.00 1.34 0.00 0.00 72.50 71.71 1t60 s THR 124 CO 0.00 0.00 1.96 2.30 -0.54 0.00 0.00 174.62 178.34 1t60 n ILE 125 N -0.57 0.00 -3.50 2.99 -5.35 -1.26 -2.59 119.36 109.07 1t60 n ILE 125 Ca 0.02 -0.02 -0.32 0.00 -0.27 0.00 0.00 62.75 62.17 1t60 n ILE 125 Cb 0.62 -0.33 -0.05 0.00 -1.74 0.00 0.00 39.64 38.14 1t60 n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1t60 s GLN 126 N -2.56 3.73 -0.05 6.28 -1.52 -1.26 -4.87 119.66 119.41 1t60 s GLN 126 Ca 0.28 0.13 -0.30 0.00 -1.95 0.00 0.00 55.36 53.52 1t60 s GLN 126 Cb 0.20 -2.71 -0.03 0.00 -0.22 0.00 0.00 33.01 30.24 1t60 s GLN 126 CO 0.48 0.36 1.21 0.42 -0.25 0.00 0.00 175.29 177.50 1t60 s ILE 127 N -1.78 4.22 0.20 1.08 1.09 -1.26 -4.54 121.20 120.21 1t60 s ILE 127 Ca 0.45 1.55 -0.30 0.00 -1.10 0.00 0.00 60.65 61.25 1t60 s ILE 127 Cb -0.11 -4.00 -0.09 0.00 -1.06 0.00 0.00 42.46 37.20 1t60 s ILE 127 CO 0.23 0.01 1.37 -2.16 -0.10 0.00 0.00 174.94 174.28 1t60 s PRO 128 N 2.15 4.34 0.38 2.79 0.04 -1.26 -4.97 135.00 138.46 1t60 s PRO 128 Ca 0.56 2.14 -0.25 0.00 0.04 0.00 0.00 61.00 63.50 1t60 s PRO 128 Cb -0.25 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 1t60 s PRO 128 CO 0.23 -0.34 1.05 1.14 0.04 0.00 0.00 177.00 179.12 1t60 s GLN 129 N 0.00 4.26 0.80 4.56 -2.07 -1.26 -4.58 119.66 121.38 1t60 s GLN 129 Ca 0.59 1.55 -0.13 0.00 -1.82 0.00 0.00 55.36 55.54 1t60 s GLN 129 Cb -0.38 -2.66 0.08 0.00 -1.09 0.00 0.00 33.01 28.96 1t60 s GLN 129 CO 0.38 -0.06 1.19 0.00 -1.32 0.00 0.00 175.29 175.48 1t60 s PRO 131 N -4.21 2.27 0.08 0.00 0.02 -1.26 -4.85 135.00 127.05 1t60 s PRO 131 Ca 0.72 1.92 -0.32 0.00 0.02 0.00 0.00 61.00 63.33 1t60 s PRO 131 Cb -0.27 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.31 1t60 s PRO 131 CO 0.51 -1.78 1.82 2.41 -0.33 0.00 0.00 177.00 179.63 1t60 n THR 132 N -2.39 0.38 -0.33 0.99 -1.04 -1.26 -1.09 114.28 109.55 1t60 n THR 132 Ca 0.15 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1t60 n THR 132 Cb 0.49 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 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 4.16 0.82 3.16 3.41 0.00 -1.26 -5.07 105.19 110.41 1t60 n GLY 133 Ca 0.19 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 1.38 0.28 1.61 0.52 -0.25 -4.61 118.94 115.88 1t60 s TRP 134 Ca 0.00 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 55.88 1t60 s TRP 134 Cb 0.00 -0.84 -0.04 0.00 -1.15 0.00 0.00 33.47 31.44 1t60 s TRP 134 CO 0.00 0.03 0.14 -1.54 0.02 0.00 0.00 176.95 175.60 1t60 s SER 135 N -0.90 5.06 0.20 2.95 1.04 -0.29 -4.65 113.70 117.10 1t60 s SER 135 Ca 0.04 -0.49 -0.25 0.00 0.48 0.00 0.00 55.95 55.73 1t60 s SER 135 Cb -0.07 -1.06 -0.08 0.00 0.10 0.00 0.00 66.02 64.90 1t60 s SER 135 CO 0.01 -0.11 0.80 -0.55 0.98 0.00 0.00 173.24 174.36 1t60 s SER 136 N -3.81 7.35 -0.11 7.02 0.15 -1.26 -0.56 113.70 122.47 1t60 s SER 136 Ca 0.34 1.65 -0.01 0.00 0.70 0.00 0.00 55.95 58.64 1t60 s SER 136 Cb -0.06 -2.50 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 1t60 s SER 136 CO 0.23 0.15 -0.11 0.18 1.20 0.00 0.00 173.24 174.89 1t60 n LEU 137 N 1.32 2.53 -3.61 3.45 4.77 0.02 -4.89 117.00 120.59 1t60 n LEU 137 Ca -0.04 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 55.89 1t60 n LEU 137 Cb 0.49 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1t60 n LEU 137 CO 0.46 0.59 0.90 -1.66 -1.33 0.00 0.00 177.39 176.35 1t60 s TRP 138 N -2.22 -0.16 0.30 -1.77 -2.14 -1.21 -4.77 118.94 106.96 1t60 s TRP 138 Ca -0.15 0.03 0.11 0.00 2.66 0.00 0.00 56.10 58.74 1t60 s TRP 138 Cb 0.04 0.55 -0.06 0.00 -3.10 0.00 0.00 33.47 30.91 1t60 s TRP 138 CO 0.25 -0.41 -0.15 0.96 -2.66 0.00 0.00 176.95 174.93 1t60 s ILE 139 N -2.74 2.32 0.00 0.66 -4.36 -1.26 -0.42 121.20 115.40 1t60 s ILE 139 Ca 0.10 -2.31 0.00 0.00 -0.26 0.00 0.00 60.65 58.18 1t60 s ILE 139 Cb 0.00 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.29 1t60 s ILE 139 CO -0.04 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.41 1t60 n GLY 140 N -0.67 2.00 3.32 6.27 0.00 -0.66 -4.43 105.19 111.03 1t60 n GLY 140 Ca -0.05 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.08 2.23 -0.71 1.61 1.51 0.14 -1.87 117.35 119.18 1t60 s TYR 141 Ca 0.00 -0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 55.39 1t60 s TYR 141 Cb 0.00 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1t60 s TYR 141 CO 0.00 0.09 1.85 -1.12 -1.11 0.00 0.00 175.55 175.26 1t60 s SER 142 N -1.13 5.31 -0.29 2.29 0.01 -0.64 -1.89 113.70 117.36 1t60 s SER 142 Ca 0.11 -0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.21 1t60 s SER 142 Cb -0.10 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1t60 s SER 142 CO 0.02 -2.44 0.22 0.12 0.41 0.00 0.00 173.24 171.57 1t60 s PHE 143 N 9.10 3.22 -0.13 2.43 5.36 -0.11 -1.46 117.98 136.40 1t60 s PHE 143 Ca 0.66 0.06 -0.00 0.00 -0.96 0.00 0.00 56.93 56.68 1t60 s PHE 143 Cb -0.10 -2.42 -0.08 0.00 -0.34 0.00 0.00 43.02 40.08 1t60 s PHE 143 CO 0.13 -0.22 -0.12 1.55 -1.46 0.00 0.00 175.22 175.11 1t60 n VAL 144 N 5.08 0.72 -3.84 3.12 3.14 -0.34 -4.30 118.33 121.91 1t60 n VAL 144 Ca -0.13 -0.26 -0.10 0.00 -2.96 0.00 0.00 64.34 60.89 1t60 n VAL 144 Cb 0.51 -1.07 0.02 0.00 -1.06 0.00 0.00 33.84 32.24 1t60 n VAL 144 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1t60 s MET 145 N -2.25 2.22 0.16 1.45 0.23 -1.15 -0.24 119.30 119.71 1t60 s MET 145 Ca -0.17 -1.50 -0.23 0.00 -1.03 0.00 0.00 55.69 52.76 1t60 s MET 145 Cb 0.05 0.61 0.07 0.00 -1.53 0.00 0.00 34.83 34.02 1t60 s MET 145 CO 0.28 -1.03 0.64 -3.38 -2.03 0.00 0.00 175.02 169.50 1t60 s HIS 146 N -2.34 -0.49 0.09 3.16 -3.43 -0.51 0.06 115.29 111.83 1t60 s HIS 146 Ca 0.17 0.26 -0.09 0.00 -0.80 0.00 0.00 55.06 54.60 1t60 s HIS 146 Cb -0.05 0.57 -0.00 0.00 -1.43 0.00 0.00 32.58 31.68 1t60 s HIS 146 CO 0.13 -0.86 0.19 0.95 -2.00 0.00 0.00 174.74 173.15 1t60 s THR 147 N -3.71 0.14 0.00 -5.38 -4.23 -0.57 -2.66 115.64 99.24 1t60 s THR 147 Ca 0.02 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1t60 s THR 147 Cb -0.01 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.49 1t60 s THR 147 CO -0.11 -0.64 0.00 -0.24 -0.54 0.00 0.00 174.62 173.09 1t60 n SER 148 N -0.06 0.00 -4.63 3.99 2.88 -0.35 -0.52 113.62 114.92 1t60 n SER 148 Ca -0.15 0.00 -0.54 0.00 -1.33 0.00 0.00 58.87 56.85 1t60 n SER 148 Cb 0.62 0.00 -0.06 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 -0.66 -1.24 -1.46 0.00 -1.26 -0.08 120.51 112.80 1t60 n ALA 149 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 1t60 n ALA 149 Cb 0.00 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 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 3.13 0.87 2.49 0.00 0.00 -1.26 -2.06 105.19 108.37 1t60 n GLY 150 Ca 0.21 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 1.15 -0.41 -2.16 4.61 0.00 0.88 -4.98 120.51 119.60 1t60 n ALA 151 Ca -0.08 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.34 1t60 n ALA 151 Cb 0.48 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 17.94 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 -4.17 3.23 0.00 0.00 0.41 -0.87 -4.70 118.70 112.60 1t60 s GLU 152 Ca 0.00 0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.67 1t60 s GLU 152 Cb 0.00 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 1t60 s GLU 152 CO 0.00 -0.46 0.00 0.41 -0.49 0.00 0.00 175.26 174.72 1t60 n GLY 153 N -2.43 -0.53 0.29 -1.39 0.00 -1.26 -1.21 105.19 98.65 1t60 n GLY 153 Ca 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -0.17 -1.15 1.61 3.41 -1.09 -4.70 113.62 111.53 1t60 n SER 154 Ca 0.00 -1.12 -0.01 0.00 -0.26 0.00 0.00 58.87 57.48 1t60 n SER 154 Cb 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.04 2.09 3.49 5.00 0.00 -1.26 -1.43 105.19 113.05 1t60 n GLY 155 Ca -0.01 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.02 1.78 0.16 1.61 -1.52 0.66 -4.70 119.66 115.64 1t60 s GLN 156 Ca 0.01 -1.30 -0.30 0.00 -1.95 0.00 0.00 55.36 51.82 1t60 s GLN 156 Cb -0.00 -2.05 -0.07 0.00 -0.22 0.00 0.00 33.01 30.67 1t60 s GLN 156 CO 0.01 0.44 0.95 0.00 -0.25 0.00 0.00 175.29 176.45 1t60 s ALA 157 N -1.44 3.28 -1.17 6.09 0.00 -1.26 -4.88 121.76 122.39 1t60 s ALA 157 Ca 0.20 0.59 0.15 0.00 0.00 0.00 0.00 51.96 52.91 1t60 s ALA 157 Cb -0.09 -3.25 0.69 0.00 0.00 0.00 0.00 23.12 20.46 1t60 s ALA 157 CO 0.11 0.06 1.45 1.28 0.00 0.00 0.00 175.76 178.67 1t60 n LEU 158 N 2.29 0.00 -0.66 0.00 4.77 -1.26 -1.64 117.00 120.50 1t60 n LEU 158 Ca 0.01 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 1t60 n LEU 158 Cb 0.48 -0.41 0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1t60 n LEU 158 CO 0.51 -0.20 0.53 0.00 -1.33 0.00 0.00 177.39 176.89 1t60 n ALA 159 N -1.41 2.42 -2.39 -1.18 0.00 -1.26 -4.62 120.51 112.06 1t60 n ALA 159 Ca 0.05 -0.75 -0.36 0.00 0.00 0.00 0.00 53.44 52.38 1t60 n ALA 159 Cb 0.15 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.19 6.81 0.62 0.00 0.15 -0.65 -1.23 113.70 118.21 1t60 s SER 160 Ca 0.21 1.04 0.40 0.00 0.70 0.00 0.00 55.95 58.29 1t60 s SER 160 Cb 0.13 -2.27 2.17 0.00 -1.71 0.00 0.00 66.02 64.34 1t60 s SER 160 CO 0.19 0.14 2.22 -0.65 1.20 0.00 0.00 173.24 176.34 1t60 h PRO 161 N 3.72 0.00 0.00 5.44 0.11 -1.86 -0.59 132.00 138.82 1t60 h PRO 161 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1t60 h PRO 161 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t60 h PRO 161 CO 0.65 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.22 1t60 h GLY 162 N 0.00 0.00 -0.60 -0.55 0.00 -1.86 -1.79 103.07 98.28 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 -3.02 1.33 -3.81 0.19 3.41 -0.23 -4.55 113.62 106.95 1t60 n SER 163 Ca -0.00 -1.70 -0.29 0.00 -0.26 0.00 0.00 58.87 56.61 1t60 n SER 163 Cb 0.24 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.28 4.44 0.37 0.00 1.43 -0.79 -4.73 118.68 119.12 1t60 s LEU 165 Ca 0.20 1.60 0.18 0.00 -1.03 0.00 0.00 54.13 55.08 1t60 s LEU 165 Cb -0.18 -3.42 0.69 0.00 0.03 0.00 0.00 46.19 43.31 1t60 s LEU 165 CO -0.05 -0.08 1.75 -0.33 0.23 0.00 0.00 176.35 177.87 1t60 h GLU 166 N 5.93 0.00 -4.77 1.70 5.08 -1.88 0.41 114.58 121.06 1t60 h GLU 166 Ca -0.43 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.34 1t60 h GLU 166 Cb 1.21 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 1t60 h GLU 166 CO 0.72 0.39 -0.84 -2.00 -1.00 0.00 0.00 179.01 176.28 1t60 s GLU 167 N -3.70 2.30 0.12 2.33 2.12 -1.26 -4.74 118.70 115.88 1t60 s GLU 167 Ca -0.01 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.44 1t60 s GLU 167 Cb 0.12 -1.98 -0.07 0.00 0.26 0.00 0.00 34.13 32.46 1t60 s GLU 167 CO 0.69 -0.10 1.18 0.12 -0.54 0.00 0.00 175.26 176.61 1t60 s PHE 168 N 1.08 3.47 -0.03 5.30 2.19 -1.26 -4.97 117.98 123.75 1t60 s PHE 168 Ca -0.04 1.40 -0.01 0.00 0.33 0.00 0.00 56.93 58.61 1t60 s PHE 168 Cb -0.14 -3.39 0.03 0.00 -1.31 0.00 0.00 43.02 38.21 1t60 s PHE 168 CO -0.04 -1.11 0.05 1.03 1.83 0.00 0.00 175.22 176.99 1t60 s ARG 169 N 0.38 -0.02 0.39 10.12 1.81 -1.26 -5.01 118.95 125.36 1t60 s ARG 169 Ca 0.55 0.22 0.11 0.00 -1.72 0.00 0.00 55.73 54.90 1t60 s ARG 169 Cb -0.30 -0.24 0.78 0.00 -0.45 0.00 0.00 34.95 34.74 1t60 s ARG 169 CO 0.33 -0.17 1.89 0.66 -0.68 0.00 0.00 175.30 177.32 1t60 h SER 170 N 7.31 0.11 -3.36 0.23 4.64 -1.99 -3.30 113.55 117.19 1t60 h SER 170 Ca -0.45 -0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.22 1t60 h SER 170 Cb 1.12 -0.03 -0.41 0.00 -0.31 0.00 0.00 62.40 62.78 1t60 h SER 170 CO 0.47 0.36 -0.69 0.00 -0.87 0.00 0.00 176.83 176.10 1t60 s ALA 171 N -4.49 2.93 -1.68 5.18 0.00 -1.26 -4.36 121.76 118.08 1t60 s ALA 171 Ca -0.04 -3.20 0.31 0.00 0.00 0.00 0.00 51.96 49.03 1t60 s ALA 171 Cb 0.15 -2.01 1.67 0.00 0.00 0.00 0.00 23.12 22.94 1t60 s ALA 171 CO 0.73 -2.06 2.12 -0.35 0.00 0.00 0.00 175.76 176.20 1t60 n PRO 172 N 2.74 0.68 -3.92 0.00 -0.04 -1.24 -4.86 135.00 128.35 1t60 n PRO 172 Ca 0.15 -0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1t60 n PRO 172 Cb 0.36 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.33 0.19 0.12 0.54 -0.71 -1.26 -0.55 117.98 113.98 1t60 s PHE 173 Ca 0.37 -0.47 0.09 0.00 -1.04 0.00 0.00 56.93 55.87 1t60 s PHE 173 Cb 0.21 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 1t60 s PHE 173 CO 0.42 -0.35 -0.16 -1.50 -1.34 0.00 0.00 175.22 172.30 1t60 s ILE 174 N -2.45 2.99 -0.19 -4.49 2.07 -0.01 -4.82 121.20 114.30 1t60 s ILE 174 Ca -0.06 -1.48 -0.08 0.00 -1.41 0.00 0.00 60.65 57.62 1t60 s ILE 174 Cb -0.02 -2.39 -0.04 0.00 0.13 0.00 0.00 42.46 40.14 1t60 s ILE 174 CO -0.04 0.08 0.08 -0.70 -1.91 0.00 0.00 174.94 172.44 1t60 s GLU 175 N -2.24 4.00 0.24 3.50 2.12 -0.88 -2.25 118.70 123.20 1t60 s GLU 175 Ca 0.19 -0.33 0.10 0.00 0.36 0.00 0.00 54.97 55.30 1t60 s GLU 175 Cb -0.10 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1t60 s GLU 175 CO 0.11 0.26 -0.17 0.00 -0.54 0.00 0.00 175.26 174.92 1t60 s HIS 177 N -2.73 1.79 0.56 0.00 0.09 0.11 -1.86 115.29 113.24 1t60 s HIS 177 Ca 0.26 -0.70 0.26 0.00 -0.00 0.00 0.00 55.06 54.88 1t60 s HIS 177 Cb -0.03 -0.96 1.53 0.00 -0.00 0.00 0.00 32.58 33.12 1t60 s HIS 177 CO 0.10 0.25 2.07 0.78 -0.00 0.00 0.00 174.74 177.94 1t60 h GLY 178 N 2.42 0.00 0.89 -2.22 0.00 -1.37 -0.83 103.07 101.96 1t60 h GLY 178 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1t60 h GLY 178 CO 0.65 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.23 1t60 n ARG 179 N -4.05 0.78 -0.41 4.80 1.85 -1.26 -4.81 116.66 113.55 1t60 n ARG 179 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1t60 n ARG 179 Cb 0.38 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 1t60 n ARG 179 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1t60 n GLY 180 N 0.53 0.79 3.90 2.89 0.00 -0.32 -5.08 105.19 107.90 1t60 n GLY 180 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.07 5.04 0.03 2.61 -4.23 -1.25 -4.21 115.64 111.56 1t60 s THR 181 Ca 0.00 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 1t60 s THR 181 Cb 0.00 -3.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 1t60 s THR 181 CO 0.00 -0.11 0.06 0.00 -0.54 0.00 0.00 174.62 174.03 1t60 s ASN 183 N -2.05 -0.03 0.01 0.00 2.47 0.28 0.55 114.94 116.16 1t60 s ASN 183 Ca -0.06 -0.04 -0.04 0.00 0.42 0.00 0.00 52.86 53.14 1t60 s ASN 183 Cb -0.02 0.06 -0.04 0.00 -1.45 0.00 0.00 41.25 39.80 1t60 s ASN 183 CO -0.04 -0.11 0.22 -0.31 -3.72 0.00 0.00 177.10 173.14 1t60 s TYR 184 N -2.17 3.55 0.10 0.43 1.51 -1.26 -2.08 117.35 117.44 1t60 s TYR 184 Ca 0.14 0.43 0.08 0.00 -1.01 0.00 0.00 57.07 56.70 1t60 s TYR 184 Cb 0.05 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1t60 s TYR 184 CO -0.05 0.62 -0.20 0.71 -1.11 0.00 0.00 175.55 175.53 1t60 s TYR 185 N -1.34 1.70 0.59 2.71 1.51 -1.26 -5.04 117.35 116.22 1t60 s TYR 185 Ca 0.28 -0.43 0.28 0.00 -1.01 0.00 0.00 57.07 56.20 1t60 s TYR 185 Cb -0.13 -0.93 1.68 0.00 -0.11 0.00 0.00 41.96 42.48 1t60 s TYR 185 CO 0.19 0.19 2.14 0.00 -1.11 0.00 0.00 175.55 176.96 1t60 h ALA 186 N 4.02 1.76 -0.53 3.71 0.00 -2.03 -1.64 119.26 124.55 1t60 h ALA 186 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1t60 h ALA 186 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t60 h ALA 186 CO 0.41 -0.22 0.00 0.27 0.00 0.00 0.00 179.25 179.71 1t60 n ASN 187 N -3.84 5.24 -4.53 0.00 6.94 -1.26 -4.84 115.26 112.96 1t60 n ASN 187 Ca 0.00 -2.82 -0.43 0.00 -0.02 0.00 0.00 54.58 51.32 1t60 n ASN 187 Cb 0.26 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 36.98 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 -2.55 3.11 -0.11 -2.53 0.00 -0.62 -4.09 121.76 114.98 1t60 s ALA 188 Ca 0.49 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1t60 s ALA 188 Cb 0.37 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1t60 s ALA 188 CO 0.15 -2.48 0.05 0.71 0.00 0.00 0.00 175.76 174.19 1t60 s TYR 189 N 4.21 3.30 -0.11 0.00 4.12 0.32 -4.95 117.35 124.23 1t60 s TYR 189 Ca 0.33 0.26 0.01 0.00 0.02 0.00 0.00 57.07 57.69 1t60 s TYR 189 Cb -0.11 -1.88 -0.01 0.00 -1.52 0.00 0.00 41.96 38.44 1t60 s TYR 189 CO 0.20 0.49 -0.16 -1.54 0.02 0.00 0.00 175.55 174.56 1t60 s SER 190 N -0.71 3.74 -0.10 2.29 1.04 -1.26 -1.51 113.70 117.18 1t60 s SER 190 Ca 0.12 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 1t60 s SER 190 Cb -0.12 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 1t60 s SER 190 CO 0.02 0.18 -0.04 -0.36 0.98 0.00 0.00 173.24 174.02 1t60 s PHE 191 N 0.27 3.01 0.12 5.02 0.40 0.11 -4.98 117.98 121.93 1t60 s PHE 191 Ca -0.12 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 1t60 s PHE 191 Cb -0.16 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 1t60 s PHE 191 CO 0.06 0.22 -0.12 -1.58 0.70 0.00 0.00 175.22 174.51 1t60 s TRP 192 N -0.39 1.25 0.22 0.36 0.52 -1.26 -1.20 118.94 118.44 1t60 s TRP 192 Ca 0.06 -0.63 -0.30 0.00 0.02 0.00 0.00 56.10 55.26 1t60 s TRP 192 Cb -0.12 -0.66 -0.09 0.00 -1.15 0.00 0.00 33.47 31.45 1t60 s TRP 192 CO 0.02 0.08 1.25 -0.51 0.02 0.00 0.00 176.95 177.81 1t60 s LEU 193 N -2.59 4.45 0.52 2.99 1.43 -0.53 -4.89 118.68 120.05 1t60 s LEU 193 Ca 0.09 2.37 -0.02 0.00 -1.03 0.00 0.00 54.13 55.55 1t60 s LEU 193 Cb -0.03 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.58 1t60 s LEU 193 CO 0.02 -0.43 0.77 0.00 0.23 0.00 0.00 176.35 176.94 1t60 s ALA 194 N -0.30 3.60 0.05 4.21 0.00 -1.26 -0.47 121.76 127.60 1t60 s ALA 194 Ca 0.53 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 1t60 s ALA 194 Cb -0.35 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1t60 s ALA 194 CO 0.40 -0.60 0.78 0.95 0.00 0.00 0.00 175.76 177.29 1t60 s THR 195 N -2.75 4.72 -0.10 0.00 -4.23 0.21 -4.36 115.64 109.13 1t60 s THR 195 Ca 0.52 1.66 0.01 0.00 -1.18 0.00 0.00 61.69 62.70 1t60 s THR 195 Cb -0.10 -4.13 0.02 0.00 1.34 0.00 0.00 72.50 69.63 1t60 s THR 195 CO 0.41 0.36 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.10 1t60 s ILE 196 N -0.05 1.24 0.22 2.99 -1.09 0.17 -4.96 121.20 119.72 1t60 s ILE 196 Ca 0.39 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 1t60 s ILE 196 Cb -0.21 -1.16 -0.08 0.00 -1.58 0.00 0.00 42.46 39.43 1t60 s ILE 196 CO 0.23 0.39 1.03 -1.61 -1.23 0.00 0.00 174.94 173.75 1t60 s GLU 197 N 1.09 4.71 0.41 2.79 0.41 -1.26 -4.81 118.70 122.04 1t60 s GLU 197 Ca -0.06 1.63 0.10 0.00 -0.41 0.00 0.00 54.97 56.23 1t60 s GLU 197 Cb -0.14 -3.26 0.92 0.00 -1.78 0.00 0.00 34.13 29.86 1t60 s GLU 197 CO -0.02 0.28 2.01 0.00 -0.49 0.00 0.00 175.26 177.04 1t60 h ARG 198 N 4.47 0.50 0.00 1.61 3.08 -2.00 -0.13 114.38 121.92 1t60 h ARG 198 Ca -0.45 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1t60 h ARG 198 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1t60 h ARG 198 CO 0.69 0.33 0.00 -1.13 -1.07 0.00 0.00 179.97 178.80 1t60 n SER 199 N -4.47 0.00 -0.58 7.04 3.41 -1.26 -3.16 113.62 114.60 1t60 n SER 199 Ca 0.07 0.31 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 1t60 n SER 199 Cb 0.21 -0.43 0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1t60 n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t60 n GLU 200 N -1.43 1.77 -0.20 4.33 1.02 -0.08 -4.68 120.64 121.36 1t60 n GLU 200 Ca 0.08 -1.66 0.01 0.00 -0.02 0.00 0.00 57.16 55.57 1t60 n GLU 200 Cb 0.26 -1.26 0.10 0.00 -0.02 0.00 0.00 31.44 30.53 1t60 n GLU 200 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1t60 h MET 201 N 2.26 0.15 -1.48 3.49 2.86 -1.45 -2.32 114.93 118.43 1t60 h MET 201 Ca 0.00 -0.01 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 1t60 h MET 201 Cb 0.62 -0.03 -0.33 0.00 0.06 0.00 0.00 31.60 31.92 1t60 h MET 201 CO 0.00 0.10 0.33 1.19 1.06 0.00 0.00 176.91 179.59 1t60 n PHE 202 N -5.24 3.11 -4.32 -0.22 3.01 -1.26 -4.94 117.46 107.60 1t60 n PHE 202 Ca 0.09 -2.66 -0.20 0.00 1.01 0.00 0.00 57.45 55.69 1t60 n PHE 202 Cb 0.35 -0.86 -0.13 0.00 -0.01 0.00 0.00 39.48 38.83 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 -3.83 0.94 0.11 -1.08 -0.14 -0.88 -5.10 119.74 109.76 1t60 s LYS 203 Ca 0.54 -0.84 -0.35 0.00 -1.36 0.00 0.00 55.97 53.96 1t60 s LYS 203 Cb 0.44 -0.97 -0.14 0.00 -1.68 0.00 0.00 37.83 35.48 1t60 s LYS 203 CO -0.21 0.23 1.56 1.17 -0.76 0.00 0.00 175.35 177.34 1t60 n LYS 204 N 1.69 1.89 -1.68 1.68 4.81 -1.26 -4.88 118.16 120.42 1t60 n LYS 204 Ca -0.19 0.68 -0.39 0.00 -0.87 0.00 0.00 58.31 57.55 1t60 n LYS 204 Cb 0.54 -2.43 0.04 0.00 0.02 0.00 0.00 35.03 33.20 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 3.59 1.36 -3.38 1.64 -0.02 -1.26 -4.96 135.00 131.96 1t60 n PRO 205 Ca 0.18 0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1t60 n PRO 205 Cb 0.26 -2.35 -0.09 0.00 -0.02 0.00 0.00 33.50 31.30 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 -1.36 5.15 0.36 3.45 2.01 -1.26 -5.05 115.64 118.94 1t60 s THR 206 Ca 0.72 0.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.75 1t60 s THR 206 Cb -0.44 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.19 1t60 s THR 206 CO 0.50 0.01 1.39 -2.84 -0.69 0.00 0.00 174.62 172.99 1t60 s PRO 207 N 2.08 4.19 -0.01 4.92 0.02 -1.26 -5.03 135.00 139.91 1t60 s PRO 207 Ca 0.14 2.38 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 1t60 s PRO 207 Cb -0.16 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1t60 s PRO 207 CO 0.11 -0.39 0.03 -1.12 -0.33 0.00 0.00 177.00 175.31 1t60 s SER 208 N -0.35 -0.01 -0.36 2.53 0.01 -1.26 -5.11 113.70 109.16 1t60 s SER 208 Ca 0.52 0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.80 1t60 s SER 208 Cb -0.43 0.08 0.11 0.00 0.21 0.00 0.00 66.02 65.99 1t60 s SER 208 CO 0.57 -0.06 0.10 -0.89 0.41 0.00 0.00 173.24 173.38 1t60 s THR 209 N -0.19 1.84 -0.14 1.44 2.01 -1.26 -5.11 115.64 114.23 1t60 s THR 209 Ca -0.02 -2.19 -0.06 0.00 0.31 0.00 0.00 61.69 59.73 1t60 s THR 209 Cb -0.02 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1t60 s THR 209 CO -0.00 -0.66 0.08 -1.48 -0.69 0.00 0.00 174.62 171.87 1t60 s LEU 210 N 0.95 4.01 0.66 4.42 -0.00 -1.26 -5.11 118.68 122.35 1t60 s LEU 210 Ca 0.12 0.24 -0.01 0.00 -0.00 0.00 0.00 54.13 54.48 1t60 s LEU 210 Cb -0.20 -1.98 0.08 0.00 -0.00 0.00 0.00 46.19 44.09 1t60 s LEU 210 CO -0.12 0.30 0.92 -0.54 -0.00 0.00 0.00 176.35 176.91 1t60 s LYS 211 N -0.37 2.08 -0.15 1.48 1.02 -1.26 -4.77 119.74 117.77 1t60 s LYS 211 Ca 0.10 -0.82 -0.37 0.00 0.02 0.00 0.00 55.97 54.90 1t60 s LYS 211 Cb -0.12 -2.35 -0.14 0.00 -0.52 0.00 0.00 37.83 34.70 1t60 s LYS 211 CO 0.02 -1.15 1.77 0.00 -0.92 0.00 0.00 175.35 175.07 1t60 n ALA 212 N -2.68 0.34 0.00 5.17 0.00 -1.26 -1.93 120.51 120.15 1t60 n ALA 212 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1t60 n ALA 212 Cb 0.60 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 4.15 3.28 1.16 0.00 0.00 -1.26 -4.79 105.19 107.74 1t60 n GLY 213 Ca 0.24 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1t60 n GLY 213 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1t60 n GLU 214 N 0.00 2.48 -0.24 1.61 0.28 -0.81 -4.45 120.64 119.50 1t60 n GLU 214 Ca 0.00 -2.27 0.00 0.00 -0.16 0.00 0.00 57.16 54.73 1t60 n GLU 214 Cb 0.00 -1.51 0.12 0.00 1.43 0.00 0.00 31.44 31.48 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1t60 h LEU 215 N 3.95 0.49 -6.86 -1.84 3.38 -1.81 -3.20 115.31 109.41 1t60 h LEU 215 Ca 0.00 0.05 -0.78 0.00 0.09 0.00 0.00 57.88 57.24 1t60 h LEU 215 Cb 0.89 -0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.39 1t60 h LEU 215 CO 0.00 0.30 1.40 0.54 0.09 0.00 0.00 178.44 180.77 1t60 n ARG 216 N -4.84 3.86 0.00 1.13 3.00 -1.26 -4.07 116.66 114.48 1t60 n ARG 216 Ca 0.10 -3.98 0.00 0.00 -0.01 0.00 0.00 57.85 53.95 1t60 n ARG 216 Cb 0.23 -2.77 0.00 0.00 0.00 0.00 0.00 32.46 29.92 1t60 n ARG 216 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1t60 n THR 217 N 2.79 0.00 -0.24 0.55 -1.04 -1.21 -4.75 114.28 110.38 1t60 n THR 217 Ca 0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1t60 n THR 217 Cb 0.36 0.22 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1t60 n THR 217 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1t60 n HIS 218 N 0.00 0.00 -3.43 -1.42 8.25 -1.26 -4.88 115.22 112.49 1t60 n HIS 218 Ca 0.00 -0.28 -0.38 0.00 -0.26 0.00 0.00 57.72 56.80 1t60 n HIS 218 Cb 0.00 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.57 5.22 0.60 1.59 1.01 -1.26 -0.62 120.40 126.37 1t60 s VAL 219 Ca 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 1t60 s VAL 219 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1t60 s VAL 219 CO 0.00 0.24 1.22 -0.55 0.00 0.00 0.00 175.10 176.01 1t60 s SER 220 N 1.16 5.11 0.30 3.32 0.15 0.38 -4.65 113.70 119.48 1t60 s SER 220 Ca 0.17 2.41 0.07 0.00 0.70 0.00 0.00 55.95 59.30 1t60 s SER 220 Cb -0.15 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 220 CO 0.08 -1.65 0.23 -0.13 1.20 0.00 0.00 173.24 172.97 1t60 s ARG 221 N -3.35 2.75 0.22 5.44 1.81 -1.07 -1.62 118.95 123.13 1t60 s ARG 221 Ca 0.78 -1.23 -0.07 0.00 -1.72 0.00 0.00 55.73 53.49 1t60 s ARG 221 Cb -0.31 -2.47 -0.02 0.00 -0.45 0.00 0.00 34.95 31.69 1t60 s ARG 221 CO 0.34 0.22 0.30 0.00 -0.68 0.00 0.00 175.30 175.48 1t60 s GLN 223 N -4.09 0.22 -0.15 0.00 0.74 -0.71 -1.66 119.66 114.02 1t60 s GLN 223 Ca 0.31 0.40 -0.14 0.00 0.05 0.00 0.00 55.36 55.97 1t60 s GLN 223 Cb 0.03 0.01 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 1t60 s GLN 223 CO 0.11 -0.09 0.32 0.08 -0.55 0.00 0.00 175.29 175.16 1t60 s VAL 224 N 0.63 5.28 0.20 1.34 1.01 0.44 -1.57 120.40 127.73 1t60 s VAL 224 Ca -0.04 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1t60 s VAL 224 Cb -0.06 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1t60 s VAL 224 CO -0.04 0.38 -0.13 0.00 0.00 0.00 0.00 175.10 175.32 1t60 s MET 226 N -3.68 0.67 0.00 0.00 -2.45 0.28 -1.44 119.30 112.67 1t60 s MET 226 Ca 0.22 -0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.59 1t60 s MET 226 Cb 0.00 -0.71 0.00 0.00 1.25 0.00 0.00 34.83 35.38 1t60 s MET 226 CO 0.06 -0.07 0.44 -2.13 1.05 0.00 0.00 175.02 174.37