#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 2.41 0.13 1.61 0.40 -1.22 -4.90 117.98 116.41 1t60 s PHE 6 Ca 0.00 1.57 0.05 0.00 -0.60 0.00 0.00 56.93 57.96 1t60 s PHE 6 Cb 0.00 -3.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 1t60 s PHE 6 CO 0.00 -2.02 -0.13 -0.51 0.70 0.00 0.00 175.22 173.26 1t60 s LEU 7 N -4.94 2.44 -0.11 -0.37 1.43 -1.26 -0.68 118.68 115.19 1t60 s LEU 7 Ca 0.70 -0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1t60 s LEU 7 Cb -0.24 -0.48 0.04 0.00 0.03 0.00 0.00 46.19 45.54 1t60 s LEU 7 CO 0.42 -0.20 0.27 0.54 0.23 0.00 0.00 176.35 177.61 1t60 s VAL 8 N -2.50 -0.03 -0.07 -1.59 0.11 0.32 -4.82 120.40 111.82 1t60 s VAL 8 Ca 0.11 0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 59.27 1t60 s VAL 8 Cb -0.03 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1t60 s VAL 8 CO 0.02 0.04 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.91 1t60 s THR 9 N 1.04 3.95 0.05 5.04 2.01 -1.18 -0.56 115.64 125.97 1t60 s THR 9 Ca -0.07 -0.41 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1t60 s THR 9 Cb -0.08 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1t60 s THR 9 CO -0.07 0.59 -0.16 -0.60 -0.69 0.00 0.00 174.62 173.68 1t60 s ARG 10 N -0.89 1.07 -0.11 4.92 3.52 -0.14 -4.72 118.95 122.60 1t60 s ARG 10 Ca 0.13 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1t60 s ARG 10 Cb -0.11 -1.12 0.01 0.00 -1.56 0.00 0.00 34.95 32.16 1t60 s ARG 10 CO 0.02 0.28 -0.21 -1.01 -0.81 0.00 0.00 175.30 173.57 1t60 s HIS 11 N -0.87 2.42 0.13 5.12 3.76 -1.26 -0.76 115.29 123.83 1t60 s HIS 11 Ca 0.03 -1.08 0.10 0.00 -0.15 0.00 0.00 55.06 53.96 1t60 s HIS 11 Cb -0.08 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 31.98 1t60 s HIS 11 CO 0.02 -0.47 1.41 0.66 -0.85 0.00 0.00 174.74 175.51 1t60 h SER 12 N 7.01 0.00 -1.25 1.40 4.64 -1.49 -3.46 113.55 120.40 1t60 h SER 12 Ca -0.26 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.77 1t60 h SER 12 Cb 1.21 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 1t60 h SER 12 CO 0.50 0.81 -0.31 0.00 -0.87 0.00 0.00 176.83 176.96 1t60 n GLN 13 N -3.47 -1.06 -4.13 4.77 6.02 -1.26 -4.97 117.38 113.29 1t60 n GLN 13 Ca -0.00 0.88 -0.15 0.00 -0.01 0.00 0.00 57.00 57.72 1t60 n GLN 13 Cb 0.80 -5.06 -0.05 0.00 1.02 0.00 0.00 30.24 26.95 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 -2.61 0.00 -1.57 5.09 -4.23 -1.26 -4.11 115.64 106.95 1t60 s THR 14 Ca 0.00 -1.70 0.30 0.00 -1.18 0.00 0.00 61.69 59.11 1t60 s THR 14 Cb 0.00 -2.57 0.60 0.00 1.34 0.00 0.00 72.50 71.87 1t60 s THR 14 CO 0.00 0.00 2.05 0.35 -0.54 0.00 0.00 174.62 176.48 1t60 n THR 15 N -0.54 0.03 -3.64 3.99 -2.24 -1.26 -2.02 114.28 108.60 1t60 n THR 15 Ca 0.02 0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.49 1t60 n THR 15 Cb 0.62 -0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.43 6.53 0.28 3.42 1.01 -1.26 -4.83 116.67 119.39 1t60 s ASP 16 Ca 0.32 0.65 -0.29 0.00 0.71 0.00 0.00 52.55 53.94 1t60 s ASP 16 Cb 0.20 -2.12 -0.10 0.00 1.01 0.00 0.00 42.92 41.92 1t60 s ASP 16 CO 0.42 0.07 1.29 -1.81 0.21 0.00 0.00 175.17 175.35 1t60 s ASP 17 N -2.30 6.87 0.55 0.27 1.01 -1.26 -4.50 116.67 117.32 1t60 s ASP 17 Ca 0.40 2.54 -0.16 0.00 0.71 0.00 0.00 52.55 56.04 1t60 s ASP 17 Cb -0.12 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.12 1t60 s ASP 17 CO 0.23 -0.49 1.02 -2.16 0.21 0.00 0.00 175.17 173.98 1t60 s PRO 18 N -1.09 3.66 0.25 8.23 0.04 -1.26 -4.99 135.00 139.84 1t60 s PRO 18 Ca 0.52 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.42 1t60 s PRO 18 Cb -0.38 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 1t60 s PRO 18 CO 0.46 -0.52 0.74 -1.14 0.04 0.00 0.00 177.00 176.58 1t60 s GLN 19 N -4.13 4.23 0.25 4.56 0.74 -1.26 -4.74 119.66 119.30 1t60 s GLN 19 Ca 0.61 0.87 -0.30 0.00 0.05 0.00 0.00 55.36 56.59 1t60 s GLN 19 Cb -0.13 -2.78 -0.09 0.00 1.10 0.00 0.00 33.01 31.11 1t60 s GLN 19 CO 0.35 0.34 1.33 0.00 -0.55 0.00 0.00 175.29 176.75 1t60 n PRO 21 N 2.05 -0.52 -1.61 0.00 -0.04 -1.26 -4.81 135.00 128.81 1t60 n PRO 21 Ca 0.04 -0.09 -0.54 0.00 -0.04 0.00 0.00 63.50 62.88 1t60 n PRO 21 Cb 0.42 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 1t60 n PRO 21 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1t60 n PRO 22 N -3.64 1.07 -0.76 0.54 -0.02 -1.26 -2.22 135.00 128.70 1t60 n PRO 22 Ca 0.10 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1t60 n PRO 22 Cb 0.53 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.74 0.59 3.18 -1.23 0.00 -1.26 -4.90 105.19 104.31 1t60 n GLY 23 Ca 0.20 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 1.04 0.02 2.61 -4.23 -0.94 -4.33 115.64 107.80 1t60 s THR 24 Ca 0.00 -1.49 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 1t60 s THR 24 Cb 0.00 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 1t60 s THR 24 CO 0.00 -0.40 -0.16 -1.59 -0.54 0.00 0.00 174.62 171.93 1t60 s LYS 25 N -2.30 2.21 0.40 3.99 -2.85 -0.99 -4.76 119.74 115.44 1t60 s LYS 25 Ca 0.02 -0.90 -0.26 0.00 -1.00 0.00 0.00 55.97 53.84 1t60 s LYS 25 Cb -0.06 -2.26 -0.09 0.00 -2.06 0.00 0.00 37.83 33.36 1t60 s LYS 25 CO 0.01 0.56 1.29 -1.50 0.10 0.00 0.00 175.35 175.81 1t60 s ILE 26 N -0.90 2.68 -0.05 3.79 1.10 -1.26 -0.54 121.20 126.01 1t60 s ILE 26 Ca 0.14 0.61 -0.05 0.00 -0.51 0.00 0.00 60.65 60.84 1t60 s ILE 26 Cb -0.11 -3.35 -0.03 0.00 0.15 0.00 0.00 42.46 39.12 1t60 s ILE 26 CO 0.05 0.09 -0.12 0.18 -2.11 0.00 0.00 174.94 173.03 1t60 n LEU 27 N 0.13 0.93 -3.50 8.50 4.77 0.21 -4.82 117.00 123.23 1t60 n LEU 27 Ca 0.04 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1t60 n LEU 27 Cb 0.44 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1t60 n LEU 27 CO 0.55 -0.12 0.64 -0.72 -1.33 0.00 0.00 177.39 176.41 1t60 s TYR 28 N -2.22 -0.39 0.41 -1.77 -0.85 -1.15 -5.02 117.35 106.36 1t60 s TYR 28 Ca -0.11 0.31 0.08 0.00 -0.52 0.00 0.00 57.07 56.82 1t60 s TYR 28 Cb 0.03 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.88 1t60 s TYR 28 CO 0.15 -0.57 0.34 -1.01 -1.52 0.00 0.00 175.55 172.94 1t60 s HIS 29 N -2.93 2.71 0.00 -3.49 3.76 -1.26 -0.87 115.29 113.22 1t60 s HIS 29 Ca 0.03 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1t60 s HIS 29 Cb -0.01 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1t60 s HIS 29 CO -0.08 -0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.18 1t60 n GLY 30 N -1.48 1.35 3.53 -2.22 0.00 -0.67 -4.43 105.19 101.27 1t60 n GLY 30 Ca 0.02 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.05 2.78 -0.75 1.61 2.02 0.13 -1.49 117.35 119.60 1t60 s TYR 31 Ca 0.00 -0.11 -0.26 0.00 -0.37 0.00 0.00 57.07 56.34 1t60 s TYR 31 Cb 0.00 -1.60 -0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1t60 s TYR 31 CO 0.00 0.29 1.68 -1.12 -1.57 0.00 0.00 175.55 174.82 1t60 s SER 32 N -1.13 5.63 -0.21 2.29 0.01 -0.63 -1.86 113.70 117.80 1t60 s SER 32 Ca 0.14 -0.28 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 1t60 s SER 32 Cb -0.11 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 1t60 s SER 32 CO 0.04 -2.20 0.61 -0.22 0.41 0.00 0.00 173.24 171.88 1t60 s LEU 33 N 7.90 4.12 -0.17 2.44 2.96 0.01 -1.50 118.68 134.44 1t60 s LEU 33 Ca 0.57 0.77 -0.14 0.00 -0.22 0.00 0.00 54.13 55.11 1t60 s LEU 33 Cb -0.09 -2.85 -0.08 0.00 0.50 0.00 0.00 46.19 43.67 1t60 s LEU 33 CO 0.11 -0.28 -0.07 -0.11 -1.32 0.00 0.00 176.35 174.68 1t60 n LEU 34 N 5.18 1.83 -3.80 -0.68 7.94 0.22 -4.51 117.00 123.18 1t60 n LEU 34 Ca -0.02 0.55 -0.05 0.00 -1.11 0.00 0.00 56.01 55.39 1t60 n LEU 34 Cb 0.50 -0.90 -0.01 0.00 0.53 0.00 0.00 43.42 43.54 1t60 n LEU 34 CO 0.43 -0.20 0.65 -0.72 -1.11 0.00 0.00 177.39 176.45 1t60 s TYR 35 N -2.31 -0.12 0.21 1.96 1.13 -1.08 -2.00 117.35 115.14 1t60 s TYR 35 Ca -0.20 -0.26 0.05 0.00 -1.41 0.00 0.00 57.07 55.25 1t60 s TYR 35 Cb 0.04 0.67 -0.05 0.00 -1.10 0.00 0.00 41.96 41.52 1t60 s TYR 35 CO 0.35 -0.98 -0.06 0.14 -2.51 0.00 0.00 175.55 172.49 1t60 s VAL 36 N -3.32 1.27 -0.15 -3.49 -7.23 -0.16 -0.13 120.40 107.20 1t60 s VAL 36 Ca 0.13 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1t60 s VAL 36 Cb -0.03 -2.16 0.06 0.00 0.56 0.00 0.00 36.38 34.80 1t60 s VAL 36 CO 0.04 -0.49 0.10 -1.58 -0.31 0.00 0.00 175.10 172.86 1t60 s GLN 37 N -3.78 0.04 -0.03 4.82 0.74 -0.56 -0.47 119.66 120.42 1t60 s GLN 37 Ca 0.24 0.04 0.06 0.00 0.05 0.00 0.00 55.36 55.75 1t60 s GLN 37 Cb 0.03 -1.52 -0.01 0.00 1.10 0.00 0.00 33.01 32.62 1t60 s GLN 37 CO 0.06 -0.60 -0.23 0.20 -0.55 0.00 0.00 175.29 174.17 1t60 s GLY 38 N 2.16 1.15 -1.43 2.59 0.00 -0.48 -1.47 107.32 109.84 1t60 s GLY 38 Ca 0.03 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 1t60 s GLY 38 CO -0.08 -0.71 0.68 -2.01 0.00 0.00 0.00 173.10 170.98 1t60 n ASN 39 N 2.73 -4.33 -0.45 1.64 4.05 -1.26 -0.89 115.26 116.75 1t60 n ASN 39 Ca -0.16 -0.55 -0.06 0.00 0.45 0.00 0.00 54.58 54.26 1t60 n ASN 39 Cb 0.52 -3.52 -0.03 0.00 1.23 0.00 0.00 39.78 37.98 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 -4.12 -1.23 -4.07 1.20 -0.58 -1.26 -4.99 120.64 105.59 1t60 n GLU 40 Ca 0.00 0.61 -0.35 0.00 -0.42 0.00 0.00 57.16 57.01 1t60 n GLU 40 Cb 0.54 -4.68 -0.13 0.00 -0.57 0.00 0.00 31.44 26.60 1t60 n GLU 40 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1t60 s ARG 41 N -2.13 3.56 0.29 3.49 6.06 -0.07 -5.03 118.95 125.12 1t60 s ARG 41 Ca 0.00 -0.55 -0.16 0.00 -2.50 0.00 0.00 55.73 52.52 1t60 s ARG 41 Cb 0.00 -3.05 -0.09 0.00 0.06 0.00 0.00 34.95 31.87 1t60 s ARG 41 CO 0.00 -0.02 0.73 0.00 -2.50 0.00 0.00 175.30 173.50 1t60 s ALA 42 N 1.07 3.36 -0.15 6.12 0.00 -1.26 -1.38 121.76 129.52 1t60 s ALA 42 Ca 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 1t60 s ALA 42 Cb -0.14 -2.78 0.07 0.00 0.00 0.00 0.00 23.12 20.27 1t60 s ALA 42 CO 0.01 0.34 0.29 -1.58 0.00 0.00 0.00 175.76 174.82 1t60 s HIS 43 N -1.83 -0.49 0.48 0.00 2.46 0.38 -4.94 115.29 111.35 1t60 s HIS 43 Ca 0.50 1.02 0.08 0.00 0.47 0.00 0.00 55.06 57.13 1t60 s HIS 43 Cb -0.12 0.00 0.02 0.00 -0.13 0.00 0.00 32.58 32.35 1t60 s HIS 43 CO 0.19 -0.40 0.53 0.20 -2.47 0.00 0.00 174.74 172.79 1t60 s GLY 44 N 2.45 2.03 -0.13 1.59 0.00 -1.26 -0.98 107.32 111.02 1t60 s GLY 44 Ca 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.94 1t60 s GLY 44 CO -0.10 -1.68 -0.12 1.20 0.00 0.00 0.00 173.10 172.40 1t60 s GLN 45 N -4.34 2.02 0.10 2.90 -1.52 -0.85 -4.97 119.66 113.00 1t60 s GLN 45 Ca 0.51 -0.45 -0.34 0.00 -1.95 0.00 0.00 55.36 53.13 1t60 s GLN 45 Cb -0.05 -1.88 -0.13 0.00 -0.22 0.00 0.00 33.01 30.72 1t60 s GLN 45 CO 0.31 -0.21 1.65 -3.47 -0.25 0.00 0.00 175.29 173.32 1t60 n ASP 46 N 4.71 3.19 0.18 5.90 2.03 -1.26 -4.66 116.55 126.65 1t60 n ASP 46 Ca -0.16 1.06 0.13 0.00 0.52 0.00 0.00 54.79 56.33 1t60 n ASP 46 Cb 0.50 -1.42 0.66 0.00 -0.72 0.00 0.00 41.12 40.15 1t60 n ASP 46 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1t60 h LEU 47 N 6.71 0.00 -0.33 -2.67 3.38 -1.89 -0.80 115.31 119.71 1t60 h LEU 47 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1t60 h LEU 47 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1t60 h LEU 47 CO 0.90 0.00 -0.31 0.61 0.09 0.00 0.00 178.44 179.73 1t60 n GLY 48 N -1.15 -0.83 3.78 0.83 0.00 -1.26 -4.46 105.19 102.10 1t60 n GLY 48 Ca -0.01 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.65 4.35 0.62 2.61 -4.23 -0.31 -3.13 115.64 112.91 1t60 s THR 49 Ca 0.21 -1.25 0.44 0.00 -1.18 0.00 0.00 61.69 59.90 1t60 s THR 49 Cb 0.19 -3.26 0.44 0.00 1.34 0.00 0.00 72.50 71.21 1t60 s THR 49 CO 0.57 -0.19 2.34 0.00 -0.54 0.00 0.00 174.62 176.80 1t60 h ALA 50 N 2.14 1.00 0.00 3.99 0.00 -1.91 -1.88 119.26 122.60 1t60 h ALA 50 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 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 0.62 0.00 -0.01 0.78 0.00 0.00 0.00 179.25 180.64 1t60 h GLY 51 N 0.05 0.00 -1.35 0.00 0.00 -1.95 -0.94 103.07 98.89 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 -3.48 2.01 -3.78 0.19 3.41 -0.71 -4.68 113.62 106.57 1t60 n SER 52 Ca -0.03 -1.97 -0.30 0.00 -0.26 0.00 0.00 58.87 56.31 1t60 n SER 52 Cb 0.09 -0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.45 4.07 0.39 0.00 1.43 -0.78 -4.79 118.68 120.46 1t60 s LEU 54 Ca 0.10 0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 1t60 s LEU 54 Cb -0.18 -2.02 0.84 0.00 0.03 0.00 0.00 46.19 44.86 1t60 s LEU 54 CO -0.21 0.24 2.00 0.03 0.23 0.00 0.00 176.35 178.64 1t60 h ARG 55 N 6.18 0.60 -6.14 1.70 3.08 -1.88 0.36 114.38 118.27 1t60 h ARG 55 Ca -0.44 -0.04 -0.69 0.00 0.07 0.00 0.00 59.98 58.89 1t60 h ARG 55 Cb 1.18 -0.13 -0.30 0.00 0.08 0.00 0.00 29.97 30.79 1t60 h ARG 55 CO 0.69 0.39 -0.87 0.15 -1.07 0.00 0.00 179.97 179.26 1t60 s LYS 56 N -5.55 2.48 0.22 0.04 1.02 -1.26 -4.65 119.74 112.04 1t60 s LYS 56 Ca -0.09 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.04 1t60 s LYS 56 Cb 0.19 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1t60 s LYS 56 CO 0.75 0.43 0.37 0.12 -0.92 0.00 0.00 175.35 176.10 1t60 s PHE 57 N -0.28 3.47 -0.27 3.18 2.19 -1.26 -4.91 117.98 120.10 1t60 s PHE 57 Ca 0.00 0.12 -0.27 0.00 0.33 0.00 0.00 56.93 57.11 1t60 s PHE 57 Cb -0.13 -1.68 0.16 0.00 -1.31 0.00 0.00 43.02 40.06 1t60 s PHE 57 CO 0.02 0.41 1.23 0.45 1.83 0.00 0.00 175.22 179.17 1t60 s SER 58 N -3.66 -0.22 0.54 6.13 0.15 -1.26 -5.00 113.70 110.38 1t60 s SER 58 Ca 0.36 0.36 0.35 0.00 0.70 0.00 0.00 55.95 57.72 1t60 s SER 58 Cb -0.10 0.35 1.66 0.00 -1.71 0.00 0.00 66.02 66.21 1t60 s SER 58 CO 0.30 -0.12 2.06 0.71 1.20 0.00 0.00 173.24 177.38 1t60 h THR 59 N 2.93 0.00 -2.65 6.45 1.35 -1.93 -3.30 112.91 115.76 1t60 h THR 59 Ca -0.22 -0.28 -0.60 0.00 -0.55 0.00 0.00 66.41 64.77 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 0.19 0.00 -0.84 -0.32 -0.25 0.00 0.00 175.52 174.30 1t60 s MET 60 N -3.77 1.07 0.00 4.72 -2.45 -1.26 -4.05 119.30 113.56 1t60 s MET 60 Ca -0.01 -2.02 0.11 0.00 -1.25 0.00 0.00 55.69 52.53 1t60 s MET 60 Cb 0.10 -1.82 0.49 0.00 1.25 0.00 0.00 34.83 34.85 1t60 s MET 60 CO 0.46 -1.28 1.34 -0.35 1.05 0.00 0.00 175.02 176.24 1t60 n PRO 61 N 3.23 1.29 -4.16 4.11 -0.04 -1.25 -4.89 135.00 133.29 1t60 n PRO 61 Ca 0.19 -0.45 -0.12 0.00 -0.04 0.00 0.00 63.50 63.09 1t60 n PRO 61 Cb 0.40 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.87 1.03 0.24 0.54 -0.71 -1.26 -5.09 117.98 110.86 1t60 s PHE 62 Ca 0.18 -1.26 -0.02 0.00 -1.04 0.00 0.00 56.93 54.79 1t60 s PHE 62 Cb 0.09 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.47 1t60 s PHE 62 CO 0.14 -0.74 0.23 -0.48 -1.34 0.00 0.00 175.22 173.02 1t60 s LEU 63 N -3.15 1.10 0.05 -1.99 0.05 -1.26 -4.54 118.68 108.94 1t60 s LEU 63 Ca 0.35 -1.38 0.03 0.00 0.05 0.00 0.00 54.13 53.19 1t60 s LEU 63 Cb 0.05 0.70 -0.03 0.00 -2.05 0.00 0.00 46.19 44.86 1t60 s LEU 63 CO 0.13 -0.95 -0.11 0.72 -0.55 0.00 0.00 176.35 175.59 1t60 s PHE 64 N -3.96 0.91 0.20 3.48 -0.12 -0.64 -4.99 117.98 112.87 1t60 s PHE 64 Ca 0.36 -0.47 0.08 0.00 -0.05 0.00 0.00 56.93 56.86 1t60 s PHE 64 Cb 0.05 -0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 1t60 s PHE 64 CO 0.14 -0.02 -0.15 0.00 -0.05 0.00 0.00 175.22 175.14 1t60 s ASN 66 N -3.20 2.44 0.32 0.00 2.47 -0.77 -5.00 114.94 111.19 1t60 s ASN 66 Ca 0.22 -1.27 0.24 0.00 0.42 0.00 0.00 52.86 52.47 1t60 s ASN 66 Cb -0.02 -0.10 1.15 0.00 -1.45 0.00 0.00 41.25 40.82 1t60 s ASN 66 CO 0.07 -0.48 1.72 -0.29 -3.72 0.00 0.00 177.10 174.41 1t60 h ILE 67 N 2.26 0.00 0.00 -5.21 2.10 -2.02 -0.67 117.51 113.96 1t60 h ILE 67 Ca -0.40 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.42 1t60 h ILE 67 Cb 1.23 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1t60 h ILE 67 CO 0.68 0.00 0.00 -0.46 -1.08 0.00 0.00 178.15 177.29 1t60 n ASN 68 N -2.31 0.00 -2.36 2.19 6.94 -1.26 -4.86 115.26 113.59 1t60 n ASN 68 Ca 0.00 -1.63 -0.17 0.00 -0.02 0.00 0.00 54.58 52.76 1t60 n ASN 68 Cb 0.13 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.58 1t60 n ASN 68 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1t60 n ASN 69 N -0.67 -5.04 -4.17 0.53 3.02 -0.26 -5.02 115.26 103.65 1t60 n ASN 69 Ca 0.08 -0.23 -0.30 0.00 -0.03 0.00 0.00 54.58 54.10 1t60 n ASN 69 Cb 0.04 -3.88 -0.17 0.00 -0.61 0.00 0.00 39.78 35.16 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 -3.04 1.81 -0.01 2.41 1.01 -1.25 -4.97 120.40 116.36 1t60 s VAL 70 Ca 0.24 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1t60 s VAL 70 Cb -0.11 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1t60 s VAL 70 CO 0.30 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 175.81 1t60 s ASN 72 N -1.18 2.54 -0.11 0.00 0.01 0.95 -4.98 114.94 112.16 1t60 s ASN 72 Ca 0.15 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 51.87 1t60 s ASN 72 Cb -0.11 -1.16 -0.00 0.00 0.41 0.00 0.00 41.25 40.39 1t60 s ASN 72 CO 0.05 0.09 -0.21 0.12 -1.51 0.00 0.00 177.10 175.64 1t60 s PHE 73 N 0.60 2.64 -1.20 2.20 5.36 -1.26 -1.62 117.98 124.70 1t60 s PHE 73 Ca -0.14 -0.99 -0.08 0.00 -0.96 0.00 0.00 56.93 54.76 1t60 s PHE 73 Cb -0.17 -1.76 0.06 0.00 -0.34 0.00 0.00 43.02 40.81 1t60 s PHE 73 CO 0.05 -0.40 0.39 0.00 -1.46 0.00 0.00 175.22 173.80 1t60 n ALA 74 N 3.61 -1.02 -1.45 11.12 0.00 -1.26 -4.85 120.51 126.65 1t60 n ALA 74 Ca -0.19 0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1t60 n ALA 74 Cb 0.53 -2.49 0.20 0.00 0.00 0.00 0.00 19.45 17.68 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 -2.18 2.05 0.00 0.00 7.64 -1.26 -4.86 113.62 115.00 1t60 n SER 75 Ca -0.03 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.15 1t60 n SER 75 Cb 0.55 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.16 0.00 -2.96 1.43 0.63 -1.26 -5.09 116.66 108.25 1t60 n ARG 76 Ca 0.21 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 57.00 1t60 n ARG 76 Cb 0.75 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.67 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 -4.98 6.15 5.03 -1.26 -4.93 115.26 115.63 1t60 n ASN 77 Ca 0.00 -2.99 -0.20 0.00 0.87 0.00 0.00 54.58 52.26 1t60 n ASN 77 Cb 0.00 -0.14 0.02 0.00 -1.02 0.00 0.00 39.78 38.64 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 -2.37 5.52 0.19 6.41 -0.00 -1.26 -4.88 116.67 120.29 1t60 s ASP 78 Ca 0.33 -0.13 0.06 0.00 -0.00 0.00 0.00 52.55 52.81 1t60 s ASP 78 Cb 0.37 -0.91 -0.05 0.00 -0.00 0.00 0.00 42.92 42.34 1t60 s ASP 78 CO -0.05 -0.91 -0.10 -0.31 -0.00 0.00 0.00 175.17 173.81 1t60 s TYR 79 N -2.55 1.50 -0.02 4.23 1.51 -0.54 -1.73 117.35 119.74 1t60 s TYR 79 Ca 0.54 -0.72 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1t60 s TYR 79 Cb -0.10 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1t60 s TYR 79 CO 0.36 0.17 0.04 -1.54 -1.11 0.00 0.00 175.55 173.47 1t60 s SER 80 N -3.25 -0.03 -0.04 2.29 1.04 -0.47 -1.50 113.70 111.73 1t60 s SER 80 Ca 0.21 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.75 1t60 s SER 80 Cb 0.02 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 1t60 s SER 80 CO 0.04 -0.03 -0.18 -0.31 0.98 0.00 0.00 173.24 173.75 1t60 s TYR 81 N -0.06 1.74 0.03 5.02 2.02 0.82 -0.66 117.35 126.27 1t60 s TYR 81 Ca -0.01 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1t60 s TYR 81 Cb -0.01 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 1t60 s TYR 81 CO 0.00 -0.15 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.16 1t60 s TRP 82 N -0.02 0.74 0.37 2.71 0.52 -0.87 -0.61 118.94 121.77 1t60 s TRP 82 Ca -0.03 -0.37 -0.28 0.00 0.02 0.00 0.00 56.10 55.44 1t60 s TRP 82 Cb -0.11 -0.44 -0.11 0.00 -1.15 0.00 0.00 33.47 31.66 1t60 s TRP 82 CO 0.02 -0.04 1.46 -0.51 0.02 0.00 0.00 176.95 177.90 1t60 s LEU 83 N -1.14 4.33 0.51 2.99 1.43 -0.56 -0.56 118.68 125.68 1t60 s LEU 83 Ca -0.05 2.99 0.06 0.00 -1.03 0.00 0.00 54.13 56.11 1t60 s LEU 83 Cb -0.08 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.50 1t60 s LEU 83 CO 0.00 -0.82 0.41 -0.94 0.23 0.00 0.00 176.35 175.23 1t60 s SER 84 N -0.20 4.74 0.35 2.29 1.04 -0.27 -1.18 113.70 120.46 1t60 s SER 84 Ca 0.52 -1.09 0.04 0.00 0.48 0.00 0.00 55.95 55.90 1t60 s SER 84 Cb -0.45 0.10 0.04 0.00 0.10 0.00 0.00 66.02 65.81 1t60 s SER 84 CO 0.62 -0.97 0.34 0.35 0.98 0.00 0.00 173.24 174.56 1t60 n THR 85 N -1.70 0.00 1.20 2.02 -2.24 -0.61 -4.52 114.28 108.43 1t60 n THR 85 Ca 0.01 -1.29 0.11 0.00 -2.27 0.00 0.00 64.05 60.61 1t60 n THR 85 Cb 0.63 -0.39 0.60 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.47 0.48 -1.69 -0.78 -0.02 -1.26 -4.86 135.00 125.41 1t60 n PRO 86 Ca 0.03 0.05 -0.50 0.00 -2.02 0.00 0.00 63.50 61.05 1t60 n PRO 86 Cb 0.38 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.16 1.95 -1.57 -0.52 4.07 -1.26 -4.94 120.64 117.20 1t60 n GLU 87 Ca 0.13 0.71 -0.32 0.00 -0.06 0.00 0.00 57.16 57.63 1t60 n GLU 87 Cb 0.13 -2.52 0.06 0.00 -0.06 0.00 0.00 31.44 29.05 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 3.79 2.72 0.59 5.31 0.04 -1.26 -4.97 135.00 141.21 1t60 s PRO 88 Ca 0.93 1.17 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 1t60 s PRO 88 Cb -0.78 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 1t60 s PRO 88 CO 0.54 -1.29 1.13 -1.64 0.04 0.00 0.00 177.00 175.79 1t60 s MET 89 N -4.63 3.11 0.66 4.56 -1.94 -1.26 -4.97 119.30 114.84 1t60 s MET 89 Ca 0.62 1.57 -0.17 0.00 -1.71 0.00 0.00 55.69 56.00 1t60 s MET 89 Cb -0.17 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.70 1t60 s MET 89 CO 0.50 -1.03 1.21 -2.14 -0.01 0.00 0.00 175.02 173.55 1t60 s PRO 90 N -3.55 2.55 0.54 2.03 0.02 -1.26 -4.83 135.00 130.50 1t60 s PRO 90 Ca 0.71 1.81 0.24 0.00 0.02 0.00 0.00 61.00 63.78 1t60 s PRO 90 Cb -0.24 -1.88 1.42 0.00 0.02 0.00 0.00 34.50 33.83 1t60 s PRO 90 CO 0.32 -1.53 2.05 0.52 -0.33 0.00 0.00 177.00 178.03 1t60 h MET 91 N 0.28 0.00 -0.01 5.54 2.86 -1.98 0.29 114.93 121.92 1t60 h MET 91 Ca -0.49 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.08 1t60 h MET 91 Cb 1.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 1t60 h MET 91 CO 0.52 0.00 -0.32 0.66 1.06 0.00 0.00 176.91 178.83 1t60 h SER 92 N 0.00 0.02 -0.06 1.22 4.64 -2.03 -3.46 113.55 113.88 1t60 h SER 92 Ca 0.16 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1t60 h SER 92 Cb 0.67 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1t60 h SER 92 CO -0.00 0.34 -0.02 0.23 -0.87 0.00 0.00 176.83 176.51 1t60 n MET 93 N -4.15 -0.91 -2.71 4.77 0.00 0.09 -5.00 117.12 109.21 1t60 n MET 93 Ca -0.02 0.32 -0.29 0.00 0.00 0.00 0.00 57.70 57.71 1t60 n MET 93 Cb 0.37 -4.06 -0.01 0.00 0.00 0.00 0.00 33.22 29.52 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 -1.64 3.38 0.30 3.04 0.00 -1.26 -4.97 121.76 120.61 1t60 s ALA 94 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 1t60 s ALA 94 Cb 0.00 -2.64 -0.14 0.00 0.00 0.00 0.00 23.12 20.34 1t60 s ALA 94 CO 0.00 -0.22 1.09 -2.30 0.00 0.00 0.00 175.76 174.34 1t60 n PRO 95 N -1.87 1.57 -3.45 0.00 -0.02 -1.26 -4.81 135.00 125.16 1t60 n PRO 95 Ca 0.01 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 1t60 n PRO 95 Cb 0.55 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.05 4.95 0.16 4.25 1.01 0.86 -4.86 121.20 126.53 1t60 s ILE 96 Ca 0.58 0.63 -0.05 0.00 0.00 0.00 0.00 60.65 61.80 1t60 s ILE 96 Cb -0.67 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 1t60 s ILE 96 CO 0.60 0.20 0.19 0.42 0.00 0.00 0.00 174.94 176.35 1t60 s THR 97 N -1.51 0.07 0.00 2.92 -4.23 -1.26 -1.51 115.64 110.13 1t60 s THR 97 Ca 0.38 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1t60 s THR 97 Cb -0.14 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1t60 s THR 97 CO 0.19 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1t60 n GLY 98 N -0.17 1.65 0.32 3.99 0.00 -1.26 -2.47 105.19 107.25 1t60 n GLY 98 Ca -0.06 -0.52 0.20 0.00 0.00 0.00 0.00 46.02 45.64 1t60 n GLY 98 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1t60 h GLU 99 N 0.00 0.00 0.00 1.61 4.57 -1.99 -2.01 114.58 116.75 1t60 h GLU 99 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1t60 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1t60 h GLU 99 CO 0.00 0.01 0.00 -0.91 -1.18 0.00 0.00 179.01 176.93 1t60 h ASN 100 N 0.00 0.00 0.57 1.04 2.35 -1.90 -1.48 115.58 116.16 1t60 h ASN 100 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1t60 h ASN 100 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1t60 h ASN 100 CO 0.00 0.00 -0.85 0.40 -1.65 0.00 0.00 177.43 175.33 1t60 h ILE 101 N 0.00 1.49 -0.82 2.81 2.04 -1.48 -3.36 117.51 118.18 1t60 h ILE 101 Ca 0.00 -2.57 0.14 0.00 1.00 0.00 0.00 64.86 63.44 1t60 h ILE 101 Cb 0.10 2.42 -0.15 0.00 -0.74 0.00 0.00 36.82 38.46 1t60 h ILE 101 CO 0.00 0.75 -0.31 -0.09 0.00 0.00 0.00 178.15 178.50 1t60 h ARG 102 N 0.11 -0.05 0.00 2.37 2.43 -1.46 -0.03 114.38 117.75 1t60 h ARG 102 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1t60 h ARG 102 Cb 1.47 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 1t60 h ARG 102 CO 0.13 -0.03 0.10 -1.35 -1.51 0.00 0.00 179.97 177.31 1t60 h PRO 103 N -0.05 0.00 0.00 0.20 0.11 -1.77 -2.66 132.00 127.83 1t60 h PRO 103 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1t60 h PRO 103 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1t60 h PRO 103 CO -0.86 0.00 -0.94 1.19 -0.21 0.00 0.00 178.00 177.19 1t60 n PHE 104 N -2.55 0.27 -3.34 0.65 3.01 -0.03 -4.51 117.46 110.97 1t60 n PHE 104 Ca -0.02 0.08 -0.38 0.00 1.01 0.00 0.00 57.45 58.14 1t60 n PHE 104 Cb 0.14 -0.43 -0.07 0.00 -0.01 0.00 0.00 39.48 39.11 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 -3.17 5.17 0.60 4.37 -1.09 -1.00 -1.58 121.20 124.49 1t60 s ILE 105 Ca 0.05 0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 59.10 1t60 s ILE 105 Cb 0.15 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1t60 s ILE 105 CO 0.79 0.23 1.15 -0.55 -1.23 0.00 0.00 174.94 175.33 1t60 s SER 106 N 1.04 5.33 0.29 3.58 0.15 -0.33 -4.47 113.70 119.30 1t60 s SER 106 Ca 0.21 2.19 0.07 0.00 0.70 0.00 0.00 55.95 59.12 1t60 s SER 106 Cb -0.15 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 1t60 s SER 106 CO 0.09 -1.49 0.24 -0.13 1.20 0.00 0.00 173.24 173.15 1t60 s ARG 107 N -3.55 2.83 0.15 5.44 1.81 -0.86 -1.60 118.95 123.17 1t60 s ARG 107 Ca 0.72 -1.17 -0.07 0.00 -1.72 0.00 0.00 55.73 53.50 1t60 s ARG 107 Cb -0.25 -2.52 -0.02 0.00 -0.45 0.00 0.00 34.95 31.71 1t60 s ARG 107 CO 0.33 0.25 0.21 0.00 -0.68 0.00 0.00 175.30 175.42 1t60 s ALA 109 N -3.99 0.45 -0.25 0.00 0.00 0.06 -1.68 121.76 116.36 1t60 s ALA 109 Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 1t60 s ALA 109 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1t60 s ALA 109 CO 0.00 0.06 0.06 0.08 0.00 0.00 0.00 175.76 175.97 1t60 s VAL 110 N 0.22 4.23 0.05 0.00 1.01 -0.05 -0.96 120.40 124.91 1t60 s VAL 110 Ca -0.02 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1t60 s VAL 110 Cb -0.06 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1t60 s VAL 110 CO -0.00 0.35 -0.22 0.00 0.00 0.00 0.00 175.10 175.22 1t60 s GLU 112 N -1.30 4.38 -0.05 0.00 2.12 0.30 -0.52 118.70 123.64 1t60 s GLU 112 Ca 0.08 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.13 1t60 s GLU 112 Cb -0.09 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1t60 s GLU 112 CO 0.02 0.16 -0.06 0.00 -0.54 0.00 0.00 175.26 174.84 1t60 s ALA 113 N 0.54 3.03 -1.19 6.30 0.00 0.14 -2.36 121.76 128.22 1t60 s ALA 113 Ca 0.32 -0.92 0.17 0.00 0.00 0.00 0.00 51.96 51.53 1t60 s ALA 113 Cb -0.17 -1.22 0.78 0.00 0.00 0.00 0.00 23.12 22.51 1t60 s ALA 113 CO 0.15 0.59 1.53 -0.35 0.00 0.00 0.00 175.76 177.68 1t60 n PRO 114 N 1.99 0.11 -3.84 0.00 -0.04 -1.26 -3.39 135.00 128.57 1t60 n PRO 114 Ca -0.17 0.17 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1t60 n PRO 114 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1t60 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t60 s ALA 115 N -2.81 -1.10 0.19 0.55 0.00 -1.26 -4.93 121.76 112.40 1t60 s ALA 115 Ca 0.12 -0.43 -0.32 0.00 0.00 0.00 0.00 51.96 51.33 1t60 s ALA 115 Cb 0.11 0.79 -0.15 0.00 0.00 0.00 0.00 23.12 23.87 1t60 s ALA 115 CO 0.29 -1.02 1.19 -0.12 0.00 0.00 0.00 175.76 176.09 1t60 n MET 116 N -0.48 1.30 -5.03 0.00 0.00 -1.26 -4.65 117.12 107.00 1t60 n MET 116 Ca -0.05 0.46 -0.29 0.00 -0.00 0.00 0.00 57.70 57.81 1t60 n MET 116 Cb 0.59 -1.97 -0.17 0.00 0.00 0.00 0.00 33.22 31.67 1t60 n MET 116 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1t60 s VAL 117 N -0.23 1.76 0.28 1.12 1.01 -1.26 -1.84 120.40 121.25 1t60 s VAL 117 Ca 0.71 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1t60 s VAL 117 Cb -0.81 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1t60 s VAL 117 CO 0.52 0.49 0.20 0.00 0.00 0.00 0.00 175.10 176.32 1t60 s MET 118 N 0.35 1.54 0.03 2.72 0.23 -0.50 -4.81 119.30 118.86 1t60 s MET 118 Ca -0.15 -1.87 0.08 0.00 -1.03 0.00 0.00 55.69 52.72 1t60 s MET 118 Cb -0.16 0.21 -0.02 0.00 -1.53 0.00 0.00 34.83 33.32 1t60 s MET 118 CO 0.07 -0.52 -0.22 0.00 -2.03 0.00 0.00 175.02 172.32 1t60 s ALA 119 N -3.72 1.86 0.05 3.16 0.00 -0.03 -0.91 121.76 122.16 1t60 s ALA 119 Ca 0.39 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.36 1t60 s ALA 119 Cb 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1t60 s ALA 119 CO 0.20 0.43 -0.22 0.14 0.00 0.00 0.00 175.76 176.31 1t60 s VAL 120 N -0.73 1.79 -0.05 0.00 -7.23 -0.09 -4.43 120.40 109.65 1t60 s VAL 120 Ca 0.08 -1.30 0.05 0.00 -1.81 0.00 0.00 61.98 59.00 1t60 s VAL 120 Cb -0.09 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1t60 s VAL 120 CO 0.01 0.21 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.82 1t60 s HIS 121 N -0.85 1.94 0.02 2.82 3.76 -1.26 -1.75 115.29 119.97 1t60 s HIS 121 Ca 0.08 -0.60 0.11 0.00 -0.15 0.00 0.00 55.06 54.50 1t60 s HIS 121 Cb -0.09 -1.30 -0.20 0.00 1.11 0.00 0.00 32.58 32.09 1t60 s HIS 121 CO 0.02 -0.21 0.96 0.66 -0.85 0.00 0.00 174.74 175.33 1t60 h SER 122 N 6.30 0.00 -2.46 1.40 4.64 -1.66 -3.48 113.55 118.28 1t60 h SER 122 Ca -0.31 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.67 1t60 h SER 122 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1t60 h SER 122 CO 0.47 0.96 -0.44 0.00 -0.87 0.00 0.00 176.83 176.95 1t60 n GLN 123 N -3.17 -1.43 -4.03 4.77 6.02 -1.26 -4.94 117.38 113.34 1t60 n GLN 123 Ca -0.09 0.82 -0.13 0.00 -0.01 0.00 0.00 57.00 57.60 1t60 n GLN 123 Cb 0.98 -5.27 -0.03 0.00 1.02 0.00 0.00 30.24 26.94 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 -2.86 0.00 -2.17 5.09 -4.23 -1.26 -0.83 115.64 109.38 1t60 s THR 124 Ca 0.01 -1.46 0.30 0.00 -1.18 0.00 0.00 61.69 59.35 1t60 s THR 124 Cb -0.00 -2.65 0.72 0.00 1.34 0.00 0.00 72.50 71.90 1t60 s THR 124 CO 0.01 0.00 1.99 2.30 -0.54 0.00 0.00 174.62 178.38 1t60 n ILE 125 N -0.54 0.00 -3.33 2.99 -5.35 -1.26 -2.35 119.36 109.52 1t60 n ILE 125 Ca -0.01 -0.11 -0.31 0.00 -0.27 0.00 0.00 62.75 62.05 1t60 n ILE 125 Cb 0.61 -0.04 -0.05 0.00 -1.74 0.00 0.00 39.64 38.42 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 -2.05 3.77 -0.02 6.28 -1.52 -1.26 -4.86 119.66 120.00 1t60 s GLN 126 Ca 0.42 0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 53.77 1t60 s GLN 126 Cb 0.21 -2.61 -0.03 0.00 -0.22 0.00 0.00 33.01 30.36 1t60 s GLN 126 CO 0.37 0.25 1.00 0.42 -0.25 0.00 0.00 175.29 177.08 1t60 s ILE 127 N -1.94 4.79 0.32 1.08 -1.09 -1.26 -4.45 121.20 118.65 1t60 s ILE 127 Ca 0.47 2.01 -0.28 0.00 -2.23 0.00 0.00 60.65 60.62 1t60 s ILE 127 Cb -0.11 -4.29 -0.10 0.00 -1.58 0.00 0.00 42.46 36.38 1t60 s ILE 127 CO 0.24 0.13 1.18 -2.16 -1.23 0.00 0.00 174.94 173.10 1t60 s PRO 128 N 1.21 4.45 0.40 2.79 0.04 -1.26 -5.01 135.00 137.62 1t60 s PRO 128 Ca 0.52 1.95 -0.23 0.00 0.04 0.00 0.00 61.00 63.27 1t60 s PRO 128 Cb -0.21 -3.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 1t60 s PRO 128 CO 0.26 -0.01 1.00 -0.65 0.04 0.00 0.00 177.00 177.64 1t60 s GLN 129 N -1.72 4.23 0.67 4.56 -0.21 -1.26 -4.58 119.66 121.35 1t60 s GLN 129 Ca 0.48 1.35 -0.14 0.00 0.02 0.00 0.00 55.36 57.07 1t60 s GLN 129 Cb -0.34 -2.45 0.01 0.00 1.00 0.00 0.00 33.01 31.23 1t60 s GLN 129 CO 0.45 -0.06 1.11 0.00 -2.12 0.00 0.00 175.29 174.66 1t60 s PRO 131 N -4.21 2.25 0.17 0.00 0.02 -1.26 -4.86 135.00 127.11 1t60 s PRO 131 Ca 0.66 1.79 -0.32 0.00 0.02 0.00 0.00 61.00 63.15 1t60 s PRO 131 Cb -0.20 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.36 1t60 s PRO 131 CO 0.43 -1.76 1.76 2.41 -0.33 0.00 0.00 177.00 179.51 1t60 n THR 132 N -2.54 0.13 -0.21 0.99 -1.04 -1.26 -1.50 114.28 108.85 1t60 n THR 132 Ca 0.14 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1t60 n THR 132 Cb 0.50 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 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 4.03 0.86 3.17 3.41 0.00 -1.26 -5.07 105.19 110.33 1t60 n GLY 133 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.05 1.89 0.47 1.61 0.52 -0.56 -4.68 118.94 116.15 1t60 s TRP 134 Ca 0.00 -0.54 0.01 0.00 0.02 0.00 0.00 56.10 55.59 1t60 s TRP 134 Cb 0.00 -1.26 0.01 0.00 -1.15 0.00 0.00 33.47 31.07 1t60 s TRP 134 CO 0.00 -0.17 0.69 -1.54 0.02 0.00 0.00 176.95 175.95 1t60 s SER 135 N -0.03 5.67 -0.05 2.95 1.04 0.28 -4.67 113.70 118.89 1t60 s SER 135 Ca -0.03 0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 1t60 s SER 135 Cb -0.12 -1.30 -0.05 0.00 0.10 0.00 0.00 66.02 64.65 1t60 s SER 135 CO 0.02 -0.82 0.45 -0.55 0.98 0.00 0.00 173.24 173.32 1t60 s SER 136 N -4.28 6.77 -0.25 7.02 0.15 -1.26 -1.29 113.70 120.55 1t60 s SER 136 Ca 0.51 0.91 -0.05 0.00 0.70 0.00 0.00 55.95 58.02 1t60 s SER 136 Cb -0.10 -2.27 -0.14 0.00 -1.71 0.00 0.00 66.02 61.80 1t60 s SER 136 CO 0.38 0.18 -0.27 0.18 1.20 0.00 0.00 173.24 174.90 1t60 n LEU 137 N 2.66 2.49 -3.66 3.45 4.77 0.43 -4.76 117.00 122.38 1t60 n LEU 137 Ca -0.11 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.91 1t60 n LEU 137 Cb 0.52 -0.82 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1t60 n LEU 137 CO 0.40 0.76 0.88 -1.66 -1.33 0.00 0.00 177.39 176.43 1t60 s TRP 138 N -2.49 -0.12 0.24 -1.77 -2.14 -1.19 -4.51 118.94 106.96 1t60 s TRP 138 Ca -0.35 -0.07 0.08 0.00 2.66 0.00 0.00 56.10 58.43 1t60 s TRP 138 Cb 0.11 0.58 -0.05 0.00 -3.10 0.00 0.00 33.47 31.01 1t60 s TRP 138 CO 0.52 -0.53 -0.13 0.96 -2.66 0.00 0.00 176.95 175.11 1t60 s ILE 139 N -2.86 1.88 0.00 0.66 -4.36 -1.26 -0.47 121.20 114.79 1t60 s ILE 139 Ca 0.12 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1t60 s ILE 139 Cb 0.01 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1t60 s ILE 139 CO -0.02 -0.48 0.00 0.61 0.24 0.00 0.00 174.94 175.29 1t60 n GLY 140 N -0.49 1.63 3.45 6.27 0.00 -0.40 -4.43 105.19 111.22 1t60 n GLY 140 Ca -0.07 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.96 2.52 -0.85 1.61 1.51 0.26 -1.46 117.35 119.98 1t60 s TYR 141 Ca 0.00 -0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 55.53 1t60 s TYR 141 Cb 0.00 -1.43 -0.00 0.00 -0.11 0.00 0.00 41.96 40.42 1t60 s TYR 141 CO 0.00 0.27 1.70 -1.12 -1.11 0.00 0.00 175.55 175.29 1t60 s SER 142 N -1.57 5.68 -0.31 2.29 0.01 -0.23 -1.52 113.70 118.05 1t60 s SER 142 Ca 0.15 -0.65 -0.16 0.00 1.31 0.00 0.00 55.95 56.59 1t60 s SER 142 Cb -0.10 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 1t60 s SER 142 CO 0.06 -2.21 0.42 0.12 0.41 0.00 0.00 173.24 172.05 1t60 s PHE 143 N 7.87 3.22 -0.12 2.43 5.36 0.11 -1.51 117.98 135.33 1t60 s PHE 143 Ca 0.58 0.25 -0.00 0.00 -0.96 0.00 0.00 56.93 56.80 1t60 s PHE 143 Cb -0.06 -2.71 -0.08 0.00 -0.34 0.00 0.00 43.02 39.83 1t60 s PHE 143 CO 0.03 -0.38 -0.11 1.55 -1.46 0.00 0.00 175.22 174.85 1t60 n VAL 144 N 5.24 0.69 -3.84 3.12 3.14 -0.45 -4.30 118.33 121.94 1t60 n VAL 144 Ca -0.07 -0.25 -0.09 0.00 -2.96 0.00 0.00 64.34 60.96 1t60 n VAL 144 Cb 0.50 -1.02 0.02 0.00 -1.06 0.00 0.00 33.84 32.27 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 -2.24 2.20 0.16 1.45 0.23 -1.15 0.08 119.30 120.03 1t60 s MET 145 Ca -0.16 -1.46 -0.23 0.00 -1.03 0.00 0.00 55.69 52.81 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 0.27 -1.02 0.59 -3.38 -2.03 0.00 0.00 175.02 169.45 1t60 s HIS 146 N -2.41 -0.52 0.05 3.16 -3.43 -0.56 -0.09 115.29 111.49 1t60 s HIS 146 Ca 0.17 0.30 -0.06 0.00 -0.80 0.00 0.00 55.06 54.67 1t60 s HIS 146 Cb -0.05 0.55 -0.01 0.00 -1.43 0.00 0.00 32.58 31.64 1t60 s HIS 146 CO 0.12 -0.85 0.12 0.95 -2.00 0.00 0.00 174.74 173.08 1t60 s THR 147 N -3.75 0.15 0.00 -5.38 -4.23 -0.76 -2.79 115.64 98.87 1t60 s THR 147 Ca 0.01 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1t60 s THR 147 Cb -0.01 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1t60 s THR 147 CO -0.13 -0.66 0.00 -0.24 -0.54 0.00 0.00 174.62 173.05 1t60 n SER 148 N 0.43 0.00 -4.62 3.99 2.88 -0.24 -0.91 113.62 115.16 1t60 n SER 148 Ca -0.17 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 56.86 1t60 n SER 148 Cb 0.60 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.38 -1.15 -1.46 0.00 -1.26 -0.50 120.51 112.76 1t60 n ALA 149 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.88 1t60 n ALA 149 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.27 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 2.86 0.64 2.52 0.00 0.00 -1.26 -2.18 105.19 107.77 1t60 n GLY 150 Ca 0.19 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 1.10 -0.31 -2.00 4.61 0.00 0.34 -4.98 120.51 119.28 1t60 n ALA 151 Ca -0.05 0.29 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 1t60 n ALA 151 Cb 0.40 -1.90 0.04 0.00 0.00 0.00 0.00 19.45 17.99 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 -3.70 2.94 0.00 0.00 0.41 -0.93 -4.69 118.70 112.74 1t60 s GLU 152 Ca 0.00 0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 1t60 s GLU 152 Cb 0.00 -2.16 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 1t60 s GLU 152 CO 0.00 -0.82 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 1t60 n GLY 153 N -2.76 -0.55 1.05 -1.39 0.00 -1.26 -1.07 105.19 99.20 1t60 n GLY 153 Ca 0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 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 0.05 -0.64 -1.19 1.61 3.41 -1.12 -4.68 113.62 111.07 1t60 n SER 154 Ca 0.00 -1.44 -0.01 0.00 -0.26 0.00 0.00 58.87 57.16 1t60 n SER 154 Cb 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 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 -0.15 1.98 3.58 5.00 0.00 -1.26 -1.50 105.19 112.83 1t60 n GLY 155 Ca -0.02 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 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 2.08 0.08 1.61 -1.52 0.11 -4.74 119.66 115.27 1t60 s GLN 156 Ca 0.02 -1.33 -0.28 0.00 -1.95 0.00 0.00 55.36 51.81 1t60 s GLN 156 Cb -0.00 -2.13 -0.05 0.00 -0.22 0.00 0.00 33.01 30.60 1t60 s GLN 156 CO 0.01 0.41 0.90 0.00 -0.25 0.00 0.00 175.29 176.37 1t60 s ALA 157 N -1.87 3.27 -1.26 6.09 0.00 -1.26 -4.87 121.76 121.86 1t60 s ALA 157 Ca 0.26 0.48 0.11 0.00 0.00 0.00 0.00 51.96 52.82 1t60 s ALA 157 Cb -0.08 -3.20 0.54 0.00 0.00 0.00 0.00 23.12 20.37 1t60 s ALA 157 CO 0.16 -0.03 1.30 1.28 0.00 0.00 0.00 175.76 178.48 1t60 n LEU 158 N 2.95 0.00 -0.55 0.00 4.77 -1.26 -1.41 117.00 121.50 1t60 n LEU 158 Ca 0.01 0.37 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1t60 n LEU 158 Cb 0.50 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1t60 n LEU 158 CO 0.50 -0.23 0.53 0.00 -1.33 0.00 0.00 177.39 176.86 1t60 n ALA 159 N -1.37 2.33 -2.58 -1.18 0.00 -1.26 -4.64 120.51 111.81 1t60 n ALA 159 Ca 0.04 -0.86 -0.36 0.00 0.00 0.00 0.00 53.44 52.27 1t60 n ALA 159 Cb 0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.97 6.66 0.66 0.00 0.15 -0.50 -0.85 113.70 118.85 1t60 s SER 160 Ca 0.18 0.81 0.33 0.00 0.70 0.00 0.00 55.95 57.97 1t60 s SER 160 Cb 0.11 -2.19 1.82 0.00 -1.71 0.00 0.00 66.02 64.05 1t60 s SER 160 CO 0.15 0.23 2.04 -0.65 1.20 0.00 0.00 173.24 176.21 1t60 h PRO 161 N 4.07 0.00 0.00 5.44 0.11 -1.85 0.36 132.00 140.13 1t60 h PRO 161 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.03 -0.55 0.00 -1.86 -2.27 103.07 98.42 1t60 h GLY 162 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1t60 h GLY 162 CO -0.00 0.00 -0.03 -1.14 0.00 0.00 0.00 176.54 175.37 1t60 n SER 163 N -2.64 1.04 -3.96 0.19 3.41 0.12 -4.54 113.62 107.24 1t60 n SER 163 Ca 0.02 -1.27 -0.31 0.00 -0.26 0.00 0.00 58.87 57.05 1t60 n SER 163 Cb 0.29 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.40 4.39 0.25 0.00 2.96 -0.58 -4.76 118.68 120.54 1t60 s LEU 165 Ca 0.18 1.56 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 1t60 s LEU 165 Cb -0.23 -3.44 0.30 0.00 0.50 0.00 0.00 46.19 43.31 1t60 s LEU 165 CO -0.02 -0.17 1.62 -0.33 -1.32 0.00 0.00 176.35 176.13 1t60 h GLU 166 N 6.50 0.42 -4.98 1.98 5.08 -1.87 0.76 114.58 122.46 1t60 h GLU 166 Ca -0.42 -0.22 -0.64 0.00 -1.00 0.00 0.00 59.36 57.08 1t60 h GLU 166 Cb 1.21 0.01 -0.35 0.00 0.50 0.00 0.00 28.75 30.12 1t60 h GLU 166 CO 0.74 0.78 -0.85 -1.21 -1.00 0.00 0.00 179.01 177.47 1t60 s GLU 167 N -4.15 2.73 0.23 2.33 2.02 -1.26 -4.64 118.70 115.96 1t60 s GLU 167 Ca -0.06 -0.74 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1t60 s GLU 167 Cb 0.13 -2.30 -0.09 0.00 0.10 0.00 0.00 34.13 31.96 1t60 s GLU 167 CO 0.80 -0.11 1.23 0.12 0.02 0.00 0.00 175.26 177.32 1t60 s PHE 168 N 1.08 3.35 -0.07 1.61 2.19 -1.26 -4.97 117.98 119.91 1t60 s PHE 168 Ca -0.02 1.43 -0.04 0.00 0.33 0.00 0.00 56.93 58.63 1t60 s PHE 168 Cb -0.14 -3.49 0.03 0.00 -1.31 0.00 0.00 43.02 38.11 1t60 s PHE 168 CO -0.06 -1.36 0.16 1.03 1.83 0.00 0.00 175.22 176.82 1t60 s ARG 169 N -0.72 0.13 0.36 10.12 1.81 -1.26 -5.02 118.95 124.36 1t60 s ARG 169 Ca 0.51 0.36 0.10 0.00 -1.72 0.00 0.00 55.73 54.99 1t60 s ARG 169 Cb -0.35 -0.11 0.68 0.00 -0.45 0.00 0.00 34.95 34.72 1t60 s ARG 169 CO 0.41 -0.13 1.82 0.66 -0.68 0.00 0.00 175.30 177.38 1t60 h SER 170 N 6.94 0.12 -3.12 0.23 4.64 -1.99 -3.30 113.55 117.07 1t60 h SER 170 Ca -0.39 -0.04 -0.62 0.00 -0.47 0.00 0.00 61.79 60.28 1t60 h SER 170 Cb 1.16 -0.03 -0.41 0.00 -0.31 0.00 0.00 62.40 62.80 1t60 h SER 170 CO 0.41 0.44 -0.65 0.00 -0.87 0.00 0.00 176.83 176.16 1t60 s ALA 171 N -4.34 3.30 -1.72 5.18 0.00 -1.26 -4.37 121.76 118.55 1t60 s ALA 171 Ca -0.04 -3.51 0.31 0.00 0.00 0.00 0.00 51.96 48.72 1t60 s ALA 171 Cb 0.14 -2.06 1.70 0.00 0.00 0.00 0.00 23.12 22.90 1t60 s ALA 171 CO 0.74 -2.07 2.12 -0.35 0.00 0.00 0.00 175.76 176.20 1t60 n PRO 172 N 2.29 0.71 -4.00 0.00 -0.04 -1.24 -4.87 135.00 127.85 1t60 n PRO 172 Ca 0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.58 1t60 n PRO 172 Cb 0.37 -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 -2.28 0.36 0.13 0.54 -0.71 -1.26 -1.12 117.98 113.64 1t60 s PHE 173 Ca 0.38 -0.81 0.11 0.00 -1.04 0.00 0.00 56.93 55.56 1t60 s PHE 173 Cb 0.21 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1t60 s PHE 173 CO 0.41 -0.40 -0.24 -1.50 -1.34 0.00 0.00 175.22 172.14 1t60 s ILE 174 N -3.50 2.42 -0.18 -4.49 2.07 0.28 -4.80 121.20 113.01 1t60 s ILE 174 Ca 0.03 -1.72 -0.08 0.00 -1.41 0.00 0.00 60.65 57.47 1t60 s ILE 174 Cb 0.04 -2.09 -0.04 0.00 0.13 0.00 0.00 42.46 40.50 1t60 s ILE 174 CO -0.09 0.07 0.10 -0.70 -1.91 0.00 0.00 174.94 172.41 1t60 s GLU 175 N -2.13 3.99 0.18 3.50 2.12 -0.83 -2.06 118.70 123.47 1t60 s GLU 175 Ca 0.16 -0.27 0.08 0.00 0.36 0.00 0.00 54.97 55.30 1t60 s GLU 175 Cb -0.10 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1t60 s GLU 175 CO 0.07 0.34 -0.17 0.00 -0.54 0.00 0.00 175.26 174.97 1t60 s HIS 177 N -2.37 1.86 0.58 0.00 0.09 0.12 -1.37 115.29 114.20 1t60 s HIS 177 Ca 0.19 -0.53 0.28 0.00 -0.00 0.00 0.00 55.06 55.00 1t60 s HIS 177 Cb -0.04 -0.86 1.72 0.00 -0.00 0.00 0.00 32.58 33.39 1t60 s HIS 177 CO 0.07 0.44 2.20 0.78 -0.00 0.00 0.00 174.74 178.22 1t60 h GLY 178 N 2.47 0.00 1.83 -2.22 0.00 -1.52 0.02 103.07 103.65 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 0.62 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.20 1t60 n ARG 179 N -3.91 0.12 0.00 4.80 1.85 -1.26 -4.83 116.66 113.43 1t60 n ARG 179 Ca -0.01 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1t60 n ARG 179 Cb 0.17 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 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 0.62 0.65 3.93 2.89 0.00 -0.01 -5.11 105.19 108.18 1t60 n GLY 180 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 5.15 0.01 2.61 -4.23 -1.25 -4.35 115.64 111.58 1t60 s THR 181 Ca 0.00 -0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 1t60 s THR 181 Cb 0.00 -3.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.04 1t60 s THR 181 CO 0.00 -0.35 0.10 0.00 -0.54 0.00 0.00 174.62 173.82 1t60 s ASN 183 N -1.49 -0.09 0.03 0.00 2.47 0.47 -0.10 114.94 116.23 1t60 s ASN 183 Ca -0.14 -0.19 -0.04 0.00 0.42 0.00 0.00 52.86 52.91 1t60 s ASN 183 Cb -0.07 0.24 -0.05 0.00 -1.45 0.00 0.00 41.25 39.92 1t60 s ASN 183 CO 0.00 -0.44 0.25 -0.31 -3.72 0.00 0.00 177.10 172.88 1t60 s TYR 184 N -2.64 3.55 0.09 0.43 1.51 -1.26 -1.96 117.35 117.07 1t60 s TYR 184 Ca 0.13 0.47 0.06 0.00 -1.01 0.00 0.00 57.07 56.72 1t60 s TYR 184 Cb 0.03 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1t60 s TYR 184 CO -0.03 0.59 -0.15 0.71 -1.11 0.00 0.00 175.55 175.57 1t60 s TYR 185 N -1.38 1.37 0.57 2.71 1.51 -1.26 -5.04 117.35 115.83 1t60 s TYR 185 Ca 0.30 -0.48 0.26 0.00 -1.01 0.00 0.00 57.07 56.14 1t60 s TYR 185 Cb -0.13 -0.75 1.65 0.00 -0.11 0.00 0.00 41.96 42.63 1t60 s TYR 185 CO 0.20 0.11 2.21 0.00 -1.11 0.00 0.00 175.55 176.96 1t60 h ALA 186 N 4.04 1.69 -0.46 3.71 0.00 -2.03 -2.22 119.26 123.98 1t60 h ALA 186 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1t60 h ALA 186 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t60 h ALA 186 CO 0.43 -0.03 0.00 0.27 0.00 0.00 0.00 179.25 179.92 1t60 n ASN 187 N -4.05 3.52 -4.53 0.00 6.94 -1.26 -4.80 115.26 111.08 1t60 n ASN 187 Ca -0.03 -2.31 -0.42 0.00 -0.02 0.00 0.00 54.58 51.80 1t60 n ASN 187 Cb 0.11 -0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 37.01 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 -1.75 3.02 -0.13 -2.53 0.00 -0.84 -4.12 121.76 115.41 1t60 s ALA 188 Ca 0.36 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1t60 s ALA 188 Cb 0.23 -3.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1t60 s ALA 188 CO 0.18 -2.72 0.04 0.71 0.00 0.00 0.00 175.76 173.97 1t60 s TYR 189 N 4.60 3.26 -0.13 0.00 4.12 -0.09 -4.94 117.35 124.18 1t60 s TYR 189 Ca 0.33 0.19 -0.01 0.00 0.02 0.00 0.00 57.07 57.59 1t60 s TYR 189 Cb -0.11 -1.92 -0.02 0.00 -1.52 0.00 0.00 41.96 38.39 1t60 s TYR 189 CO 0.18 0.39 -0.10 -1.54 0.02 0.00 0.00 175.55 174.50 1t60 s SER 190 N -0.43 4.30 -0.13 2.29 1.04 -1.26 -1.82 113.70 117.69 1t60 s SER 190 Ca 0.09 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 1t60 s SER 190 Cb -0.12 -1.59 -0.03 0.00 0.10 0.00 0.00 66.02 64.38 1t60 s SER 190 CO 0.02 0.19 -0.03 -0.36 0.98 0.00 0.00 173.24 174.04 1t60 s PHE 191 N 0.22 3.06 0.10 5.02 0.40 0.87 -4.99 117.98 122.66 1t60 s PHE 191 Ca -0.06 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 1t60 s PHE 191 Cb -0.15 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1t60 s PHE 191 CO 0.04 0.15 -0.14 -1.58 0.70 0.00 0.00 175.22 174.39 1t60 s TRP 192 N -0.10 1.34 0.27 0.36 0.52 -1.26 -1.34 118.94 118.74 1t60 s TRP 192 Ca 0.03 -0.51 -0.29 0.00 0.02 0.00 0.00 56.10 55.34 1t60 s TRP 192 Cb -0.13 -0.73 -0.10 0.00 -1.15 0.00 0.00 33.47 31.37 1t60 s TRP 192 CO 0.02 0.11 1.33 -0.51 0.02 0.00 0.00 176.95 177.93 1t60 s LEU 193 N -2.13 4.42 0.59 2.99 1.43 -0.57 -4.91 118.68 120.50 1t60 s LEU 193 Ca 0.04 2.59 -0.02 0.00 -1.03 0.00 0.00 54.13 55.71 1t60 s LEU 193 Cb -0.07 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.55 1t60 s LEU 193 CO 0.03 -0.56 0.84 0.00 0.23 0.00 0.00 176.35 176.89 1t60 s ALA 194 N -0.50 3.62 -0.09 4.21 0.00 -1.26 -1.41 121.76 126.34 1t60 s ALA 194 Ca 0.54 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.12 1t60 s ALA 194 Cb -0.39 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1t60 s ALA 194 CO 0.46 -0.87 0.75 0.95 0.00 0.00 0.00 175.76 177.05 1t60 s THR 195 N -2.90 4.99 -0.13 0.00 -4.23 -0.23 -4.40 115.64 108.74 1t60 s THR 195 Ca 0.57 1.53 0.01 0.00 -1.18 0.00 0.00 61.69 62.63 1t60 s THR 195 Cb -0.10 -4.08 0.02 0.00 1.34 0.00 0.00 72.50 69.67 1t60 s THR 195 CO 0.41 0.19 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.89 1t60 s ILE 196 N 1.15 1.63 0.19 2.99 -1.09 -0.01 -4.96 121.20 121.10 1t60 s ILE 196 Ca 0.39 -0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 1t60 s ILE 196 Cb -0.18 -1.49 -0.08 0.00 -1.58 0.00 0.00 42.46 39.13 1t60 s ILE 196 CO 0.18 0.47 0.97 -1.61 -1.23 0.00 0.00 174.94 173.72 1t60 s GLU 197 N 1.15 4.76 0.58 2.79 0.41 -1.26 -4.80 118.70 122.33 1t60 s GLU 197 Ca -0.02 1.51 0.27 0.00 -0.41 0.00 0.00 54.97 56.33 1t60 s GLU 197 Cb -0.14 -3.31 1.68 0.00 -1.78 0.00 0.00 34.13 30.58 1t60 s GLU 197 CO -0.05 0.35 2.18 0.00 -0.49 0.00 0.00 175.26 177.25 1t60 h ARG 198 N 4.75 0.00 0.00 1.61 3.08 -1.99 0.27 114.38 122.10 1t60 h ARG 198 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1t60 h ARG 198 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1t60 h ARG 198 CO 0.70 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.47 1t60 n SER 199 N -3.94 0.59 -0.57 7.04 3.41 -1.26 -3.33 113.62 115.55 1t60 n SER 199 Ca -0.01 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.24 1t60 n SER 199 Cb 0.18 -0.73 0.13 0.00 -0.26 0.00 0.00 64.21 63.52 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 -2.08 2.46 -0.21 4.33 -0.58 0.07 -4.68 120.64 119.94 1t60 n GLU 200 Ca 0.05 -1.86 0.01 0.00 -0.42 0.00 0.00 57.16 54.93 1t60 n GLU 200 Cb 0.34 -1.24 0.12 0.00 -0.57 0.00 0.00 31.44 30.09 1t60 n GLU 200 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1t60 h MET 201 N 1.93 0.39 -1.27 3.49 2.86 -1.53 -1.80 114.93 119.01 1t60 h MET 201 Ca 0.00 -0.02 -0.66 0.00 -2.06 0.00 0.00 59.70 56.96 1t60 h MET 201 Cb 0.67 -0.09 -0.34 0.00 0.06 0.00 0.00 31.60 31.90 1t60 h MET 201 CO 0.00 0.26 0.30 1.19 1.06 0.00 0.00 176.91 179.71 1t60 n PHE 202 N -5.01 3.09 -4.42 -0.22 3.01 -1.26 -4.94 117.46 107.71 1t60 n PHE 202 Ca 0.10 -2.69 -0.23 0.00 1.01 0.00 0.00 57.45 55.65 1t60 n PHE 202 Cb 0.31 -0.93 -0.13 0.00 -0.01 0.00 0.00 39.48 38.71 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 -3.80 1.12 0.22 -1.08 -0.14 -0.68 -5.11 119.74 110.28 1t60 s LYS 203 Ca 0.56 -0.93 -0.32 0.00 -1.36 0.00 0.00 55.97 53.92 1t60 s LYS 203 Cb 0.45 -1.22 -0.13 0.00 -1.68 0.00 0.00 37.83 35.26 1t60 s LYS 203 CO -0.13 0.30 1.60 1.17 -0.76 0.00 0.00 175.35 177.53 1t60 n LYS 204 N 1.64 2.46 -1.73 1.68 4.81 -1.26 -4.90 118.16 120.85 1t60 n LYS 204 Ca -0.18 0.88 -0.39 0.00 -0.87 0.00 0.00 58.31 57.74 1t60 n LYS 204 Cb 0.54 -2.66 0.03 0.00 0.02 0.00 0.00 35.03 32.96 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 3.01 1.83 -3.21 1.64 -0.02 -1.26 -4.96 135.00 132.02 1t60 n PRO 205 Ca 0.14 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 1t60 n PRO 205 Cb 0.33 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 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 -1.26 4.95 0.49 3.45 2.01 -1.26 -5.04 115.64 118.99 1t60 s THR 206 Ca 0.67 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 1t60 s THR 206 Cb -0.45 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 67.84 1t60 s THR 206 CO 0.53 -0.53 1.08 -2.65 -0.69 0.00 0.00 174.62 172.36 1t60 n PRO 207 N 5.94 1.36 -3.77 4.92 -0.02 -1.26 -5.02 135.00 137.15 1t60 n PRO 207 Ca -0.05 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.81 1t60 n PRO 207 Cb 0.47 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 1t60 n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1t60 s SER 208 N -0.87 -0.29 -0.18 2.55 0.15 -1.26 -5.13 113.70 108.68 1t60 s SER 208 Ca 0.67 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.88 1t60 s SER 208 Cb -0.49 0.53 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1t60 s SER 208 CO 0.53 -0.11 -0.18 -0.89 1.20 0.00 0.00 173.24 173.79 1t60 s THR 209 N 0.42 2.29 -0.06 6.45 2.01 -1.26 -5.12 115.64 120.37 1t60 s THR 209 Ca -0.02 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1t60 s THR 209 Cb -0.04 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1t60 s THR 209 CO -0.02 0.52 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.54 1t60 s LEU 210 N 1.19 2.76 0.42 4.42 1.43 -1.26 -5.13 118.68 122.51 1t60 s LEU 210 Ca 0.02 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1t60 s LEU 210 Cb -0.14 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 1t60 s LEU 210 CO -0.09 0.33 0.20 -0.54 0.23 0.00 0.00 176.35 176.48 1t60 s LYS 211 N -0.64 2.25 0.13 1.70 1.02 -1.26 -4.87 119.74 118.07 1t60 s LYS 211 Ca 0.10 -1.83 -0.35 0.00 0.02 0.00 0.00 55.97 53.90 1t60 s LYS 211 Cb -0.11 -2.00 -0.16 0.00 -0.52 0.00 0.00 37.83 35.04 1t60 s LYS 211 CO 0.01 -0.14 1.36 0.00 -0.92 0.00 0.00 175.35 175.67 1t60 n ALA 212 N -1.27 -0.26 -0.03 5.17 0.00 -1.26 -1.70 120.51 121.17 1t60 n ALA 212 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1t60 n ALA 212 Cb 0.64 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 2.59 0.76 0.02 0.00 0.00 -1.26 -4.84 105.19 102.47 1t60 n GLY 213 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.01 0.00 -0.21 1.61 2.13 -0.69 -4.96 120.64 116.52 1t60 n GLU 214 Ca 0.00 -0.04 -0.09 0.00 0.66 0.00 0.00 57.16 57.69 1t60 n GLU 214 Cb 0.00 -0.04 0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 0.92 -1.26 4.31 3.38 -1.86 -3.06 115.31 117.74 1t60 h LEU 215 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1t60 h LEU 215 Cb 1.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1t60 h LEU 215 CO 0.00 0.95 0.00 0.03 0.09 0.00 0.00 178.44 179.51 1t60 h ARG 216 N 0.86 0.00 -0.08 1.13 3.08 -1.92 -3.24 114.38 114.21 1t60 h ARG 216 Ca 0.18 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.25 1t60 h ARG 216 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1t60 h ARG 216 CO 0.01 0.00 0.20 1.79 -1.07 0.00 0.00 179.97 180.91 1t60 h THR 217 N 0.00 0.18 -0.06 2.04 1.35 -1.93 -1.87 112.91 112.62 1t60 h THR 217 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1t60 h THR 217 Cb 0.45 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1t60 h THR 217 CO 0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 1t60 n HIS 218 N -3.29 0.07 -3.33 4.73 8.25 -1.22 -4.89 115.22 115.53 1t60 n HIS 218 Ca -0.01 -0.10 -0.38 0.00 -0.26 0.00 0.00 57.72 56.98 1t60 n HIS 218 Cb 0.29 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.76 5.20 0.44 1.59 1.01 -0.71 -1.07 120.40 126.11 1t60 s VAL 219 Ca 0.11 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 62.76 1t60 s VAL 219 Cb 0.07 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 1t60 s VAL 219 CO 0.11 0.32 1.30 -0.55 0.00 0.00 0.00 175.10 176.28 1t60 s SER 220 N 0.65 6.05 0.31 3.32 0.15 -0.50 -4.56 113.70 119.12 1t60 s SER 220 Ca 0.25 2.64 0.07 0.00 0.70 0.00 0.00 55.95 59.61 1t60 s SER 220 Cb -0.15 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 1t60 s SER 220 CO 0.10 -1.02 0.36 -0.13 1.20 0.00 0.00 173.24 173.74 1t60 s ARG 221 N -2.46 3.04 0.22 5.44 1.81 -0.99 -1.07 118.95 124.94 1t60 s ARG 221 Ca 0.61 -1.05 -0.10 0.00 -1.72 0.00 0.00 55.73 53.47 1t60 s ARG 221 Cb -0.37 -2.70 -0.01 0.00 -0.45 0.00 0.00 34.95 31.41 1t60 s ARG 221 CO 0.47 0.19 0.37 0.00 -0.68 0.00 0.00 175.30 175.64 1t60 s GLN 223 N -4.03 0.19 -0.19 0.00 0.74 -0.71 -1.27 119.66 114.38 1t60 s GLN 223 Ca 0.24 0.25 -0.09 0.00 0.05 0.00 0.00 55.36 55.81 1t60 s GLN 223 Cb 0.02 0.07 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 1t60 s GLN 223 CO 0.07 -0.04 0.12 0.08 -0.55 0.00 0.00 175.29 174.97 1t60 s VAL 224 N 0.19 5.29 0.15 1.34 1.01 0.38 -0.92 120.40 127.84 1t60 s VAL 224 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.20 1t60 s VAL 224 Cb -0.02 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1t60 s VAL 224 CO -0.00 0.45 -0.19 0.00 0.00 0.00 0.00 175.10 175.36 1t60 s MET 226 N -2.60 1.35 0.00 0.00 -2.45 -0.41 -1.41 119.30 113.78 1t60 s MET 226 Ca 0.14 -0.62 0.23 0.00 -1.25 0.00 0.00 55.69 54.19 1t60 s MET 226 Cb -0.07 -1.31 1.37 0.00 1.25 0.00 0.00 34.83 36.08 1t60 s MET 226 CO 0.06 0.36 1.74 -2.13 1.05 0.00 0.00 175.02 176.10