#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 n GLY 5 N 0.00 0.55 3.88 -1.41 0.00 -1.26 -5.09 105.19 101.86 1t60 n GLY 5 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1t60 n GLY 5 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t60 s PHE 6 N -2.15 3.47 0.11 1.61 0.40 -1.09 -4.92 117.98 115.42 1t60 s PHE 6 Ca 0.00 1.02 0.09 0.00 -0.60 0.00 0.00 56.93 57.44 1t60 s PHE 6 Cb 0.00 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1t60 s PHE 6 CO 0.00 -0.10 -0.22 -0.51 0.70 0.00 0.00 175.22 175.09 1t60 s LEU 7 N -3.88 2.31 -0.02 -0.37 1.43 -1.26 0.46 118.68 117.36 1t60 s LEU 7 Ca 0.51 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1t60 s LEU 7 Cb -0.10 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.20 1t60 s LEU 7 CO 0.32 0.07 0.03 0.54 0.23 0.00 0.00 176.35 177.54 1t60 s VAL 8 N -1.19 -0.03 -0.09 -1.59 0.11 -0.37 -4.89 120.40 112.35 1t60 s VAL 8 Ca 0.08 0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1t60 s VAL 8 Cb -0.10 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1t60 s VAL 8 CO 0.05 0.05 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.94 1t60 s THR 9 N 0.63 4.01 -0.00 5.04 2.01 -1.11 -0.93 115.64 125.28 1t60 s THR 9 Ca -0.05 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.65 1t60 s THR 9 Cb -0.07 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1t60 s THR 9 CO -0.02 0.59 -0.18 -0.60 -0.69 0.00 0.00 174.62 173.72 1t60 s ARG 10 N -0.69 1.36 -0.15 4.92 3.52 -0.39 -4.70 118.95 122.82 1t60 s ARG 10 Ca 0.11 -0.68 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 1t60 s ARG 10 Cb -0.12 -1.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.93 1t60 s ARG 10 CO 0.02 0.36 -0.18 -1.01 -0.81 0.00 0.00 175.30 173.68 1t60 s HIS 11 N -0.50 2.73 0.09 5.12 3.76 -1.26 -0.90 115.29 124.33 1t60 s HIS 11 Ca 0.06 -1.20 0.15 0.00 -0.15 0.00 0.00 55.06 53.92 1t60 s HIS 11 Cb -0.07 -1.86 0.33 0.00 1.11 0.00 0.00 32.58 32.09 1t60 s HIS 11 CO -0.00 -0.55 1.57 0.66 -0.85 0.00 0.00 174.74 175.57 1t60 h SER 12 N 7.35 0.00 -1.68 1.40 4.64 -1.45 -3.45 113.55 120.36 1t60 h SER 12 Ca -0.33 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.63 1t60 h SER 12 Cb 1.19 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 1t60 h SER 12 CO 0.57 0.55 -0.39 0.00 -0.87 0.00 0.00 176.83 176.68 1t60 n GLN 13 N -3.46 -1.33 -4.11 4.77 6.02 -1.26 -4.95 117.38 113.06 1t60 n GLN 13 Ca 0.00 1.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.85 1t60 n GLN 13 Cb 0.65 -5.37 -0.05 0.00 1.02 0.00 0.00 30.24 26.49 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 -2.78 0.00 -1.68 5.09 -4.23 -1.26 -3.97 115.64 106.81 1t60 s THR 14 Ca 0.00 -1.65 0.28 0.00 -1.18 0.00 0.00 61.69 59.14 1t60 s THR 14 Cb 0.00 -2.56 0.62 0.00 1.34 0.00 0.00 72.50 71.91 1t60 s THR 14 CO 0.00 0.00 1.98 0.35 -0.54 0.00 0.00 174.62 176.41 1t60 n THR 15 N -0.52 0.07 -3.54 3.99 -2.24 -1.26 -2.21 114.28 108.56 1t60 n THR 15 Ca 0.01 0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1t60 n THR 15 Cb 0.62 -0.57 -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 -2.32 6.66 0.16 3.42 1.01 -1.26 -4.85 116.67 119.48 1t60 s ASP 16 Ca 0.33 0.82 -0.31 0.00 0.71 0.00 0.00 52.55 54.11 1t60 s ASP 16 Cb 0.19 -2.19 -0.09 0.00 1.01 0.00 0.00 42.92 41.84 1t60 s ASP 16 CO 0.38 0.14 1.44 -1.81 0.21 0.00 0.00 175.17 175.53 1t60 s ASP 17 N -1.83 6.74 0.66 0.27 1.01 -1.26 -4.54 116.67 117.72 1t60 s ASP 17 Ca 0.35 2.46 -0.13 0.00 0.71 0.00 0.00 52.55 55.94 1t60 s ASP 17 Cb -0.14 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.19 1t60 s ASP 17 CO 0.19 -0.70 1.07 -2.16 0.21 0.00 0.00 175.17 173.78 1t60 s PRO 18 N 0.79 3.00 0.02 8.23 0.04 -1.26 -5.00 135.00 140.81 1t60 s PRO 18 Ca 0.65 1.11 -0.07 0.00 0.04 0.00 0.00 61.00 62.73 1t60 s PRO 18 Cb -0.39 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1t60 s PRO 18 CO 0.33 -1.06 0.29 -1.14 0.04 0.00 0.00 177.00 175.46 1t60 s GLN 19 N -4.57 3.61 0.30 4.56 0.74 -1.26 -4.72 119.66 118.32 1t60 s GLN 19 Ca 0.61 -0.04 -0.29 0.00 0.05 0.00 0.00 55.36 55.69 1t60 s GLN 19 Cb -0.16 -3.06 -0.10 0.00 1.10 0.00 0.00 33.01 30.79 1t60 s GLN 19 CO 0.47 0.63 1.35 0.00 -0.55 0.00 0.00 175.29 177.19 1t60 s PRO 21 N -1.23 1.16 -0.00 0.00 0.02 -1.26 -4.85 135.00 128.83 1t60 s PRO 21 Ca 0.53 1.58 -0.36 0.00 0.02 0.00 0.00 61.00 62.77 1t60 s PRO 21 Cb -0.40 -1.74 -0.15 0.00 0.02 0.00 0.00 34.50 32.23 1t60 s PRO 21 CO 0.49 -2.54 1.60 -2.30 -0.33 0.00 0.00 177.00 173.92 1t60 n PRO 22 N -4.05 1.64 -0.17 5.54 -0.02 -1.26 -1.96 135.00 134.72 1t60 n PRO 22 Ca 0.12 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1t60 n PRO 22 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 3.49 0.62 3.37 -1.23 0.00 -1.26 -4.93 105.19 105.25 1t60 n GLY 23 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.39 2.06 0.07 2.61 -4.23 -0.83 -4.31 115.64 108.62 1t60 s THR 24 Ca 0.00 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1t60 s THR 24 Cb 0.00 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 1t60 s THR 24 CO 0.00 -0.20 -0.20 -1.59 -0.54 0.00 0.00 174.62 172.09 1t60 s LYS 25 N -2.66 1.90 0.33 3.99 -2.85 -0.79 -4.70 119.74 114.96 1t60 s LYS 25 Ca 0.17 -1.08 -0.29 0.00 -1.00 0.00 0.00 55.97 53.77 1t60 s LYS 25 Cb -0.07 -2.12 -0.10 0.00 -2.06 0.00 0.00 37.83 33.48 1t60 s LYS 25 CO 0.08 0.51 1.33 -1.50 0.10 0.00 0.00 175.35 175.87 1t60 s ILE 26 N -0.98 2.67 -0.12 3.79 1.10 -1.26 -0.25 121.20 126.14 1t60 s ILE 26 Ca 0.15 0.66 -0.09 0.00 -0.51 0.00 0.00 60.65 60.87 1t60 s ILE 26 Cb -0.10 -3.42 -0.06 0.00 0.15 0.00 0.00 42.46 39.03 1t60 s ILE 26 CO 0.06 0.16 -0.21 0.18 -2.11 0.00 0.00 174.94 173.02 1t60 n LEU 27 N 0.89 1.31 -3.53 8.50 4.77 0.34 -4.84 117.00 124.43 1t60 n LEU 27 Ca 0.01 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.13 1t60 n LEU 27 Cb 0.41 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1t60 n LEU 27 CO 0.60 0.02 0.70 -0.72 -1.33 0.00 0.00 177.39 176.65 1t60 s TYR 28 N -2.38 -0.31 0.37 -1.77 -0.85 -1.19 -5.02 117.35 106.19 1t60 s TYR 28 Ca -0.20 0.16 0.08 0.00 -0.52 0.00 0.00 57.07 56.59 1t60 s TYR 28 Cb 0.06 0.55 -0.05 0.00 0.38 0.00 0.00 41.96 42.91 1t60 s TYR 28 CO 0.27 -0.57 0.15 -1.01 -1.52 0.00 0.00 175.55 172.87 1t60 s HIS 29 N -3.12 2.66 0.00 -3.49 3.76 -1.26 -1.09 115.29 112.75 1t60 s HIS 29 Ca 0.06 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1t60 s HIS 29 Cb -0.01 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1t60 s HIS 29 CO -0.08 0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 1t60 n GLY 30 N -1.17 1.68 3.69 -2.22 0.00 -0.55 -4.54 105.19 102.07 1t60 n GLY 30 Ca -0.02 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.18 3.16 -0.78 1.61 2.02 0.17 -0.66 117.35 120.69 1t60 s TYR 31 Ca 0.00 0.18 -0.26 0.00 -0.37 0.00 0.00 57.07 56.62 1t60 s TYR 31 Cb 0.00 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 1t60 s TYR 31 CO 0.00 0.47 1.58 -1.12 -1.57 0.00 0.00 175.55 174.92 1t60 s SER 32 N -1.01 5.81 -0.13 2.29 0.01 -0.72 -1.83 113.70 118.11 1t60 s SER 32 Ca 0.15 -0.43 -0.23 0.00 1.31 0.00 0.00 55.95 56.75 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 0.04 -2.07 0.70 -0.22 0.41 0.00 0.00 173.24 172.09 1t60 s LEU 33 N 7.23 4.23 -0.18 2.44 2.96 0.46 -1.12 118.68 134.69 1t60 s LEU 33 Ca 0.52 1.05 -0.15 0.00 -0.22 0.00 0.00 54.13 55.33 1t60 s LEU 33 Cb -0.08 -3.03 -0.09 0.00 0.50 0.00 0.00 46.19 43.49 1t60 s LEU 33 CO 0.10 -0.22 -0.15 -0.11 -1.32 0.00 0.00 176.35 174.64 1t60 n LEU 34 N 4.51 1.87 -3.71 -0.68 7.94 0.20 -4.50 117.00 122.63 1t60 n LEU 34 Ca -0.00 0.48 -0.05 0.00 -1.11 0.00 0.00 56.01 55.33 1t60 n LEU 34 Cb 0.50 -0.86 -0.01 0.00 0.53 0.00 0.00 43.42 43.58 1t60 n LEU 34 CO 0.46 -0.11 0.70 -0.72 -1.11 0.00 0.00 177.39 176.61 1t60 s TYR 35 N -2.46 -0.17 0.25 1.96 1.13 -1.08 -2.45 117.35 114.53 1t60 s TYR 35 Ca -0.25 -0.11 0.08 0.00 -1.41 0.00 0.00 57.07 55.39 1t60 s TYR 35 Cb 0.05 0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 41.48 1t60 s TYR 35 CO 0.39 -0.80 -0.12 0.14 -2.51 0.00 0.00 175.55 172.65 1t60 s VAL 36 N -3.29 1.87 -0.17 -3.49 -7.23 -0.31 -0.38 120.40 107.39 1t60 s VAL 36 Ca 0.11 -2.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.02 1t60 s VAL 36 Cb -0.01 -2.27 0.06 0.00 0.56 0.00 0.00 36.38 34.71 1t60 s VAL 36 CO 0.00 -0.43 0.08 -1.58 -0.31 0.00 0.00 175.10 172.86 1t60 s GLN 37 N -3.65 0.15 -0.05 4.82 0.74 -0.70 -0.81 119.66 120.16 1t60 s GLN 37 Ca 0.27 -0.12 0.05 0.00 0.05 0.00 0.00 55.36 55.61 1t60 s GLN 37 Cb 0.00 -1.84 -0.01 0.00 1.10 0.00 0.00 33.01 32.26 1t60 s GLN 37 CO 0.11 -0.66 -0.22 0.20 -0.55 0.00 0.00 175.29 174.17 1t60 s GLY 38 N 2.10 1.14 -1.47 2.59 0.00 -0.69 -1.33 107.32 109.67 1t60 s GLY 38 Ca 0.02 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 1t60 s GLY 38 CO -0.09 -0.52 0.82 -2.01 0.00 0.00 0.00 173.10 171.31 1t60 n ASN 39 N 3.04 -5.02 -0.64 1.64 4.05 -1.26 -1.50 115.26 115.57 1t60 n ASN 39 Ca -0.18 -0.56 -0.08 0.00 0.45 0.00 0.00 54.58 54.21 1t60 n ASN 39 Cb 0.52 -4.04 -0.04 0.00 1.23 0.00 0.00 39.78 37.46 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 -4.37 -1.02 -5.21 1.20 1.02 -1.26 -5.01 120.64 105.99 1t60 n GLU 40 Ca -0.00 0.73 -0.32 0.00 -0.02 0.00 0.00 57.16 57.54 1t60 n GLU 40 Cb 0.55 -4.73 -0.17 0.00 -0.02 0.00 0.00 31.44 27.07 1t60 n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1t60 s ARG 41 N -2.44 3.05 0.27 3.49 3.52 -0.56 -5.01 118.95 121.27 1t60 s ARG 41 Ca 0.00 -0.88 -0.19 0.00 -0.13 0.00 0.00 55.73 54.53 1t60 s ARG 41 Cb 0.00 -2.30 -0.09 0.00 -1.56 0.00 0.00 34.95 31.00 1t60 s ARG 41 CO 0.00 0.18 0.77 0.00 -0.81 0.00 0.00 175.30 175.43 1t60 s ALA 42 N 0.34 3.34 -0.08 6.12 0.00 -1.26 -1.70 121.76 128.54 1t60 s ALA 42 Ca -0.19 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 1t60 s ALA 42 Cb -0.18 -2.87 0.04 0.00 0.00 0.00 0.00 23.12 20.12 1t60 s ALA 42 CO 0.09 0.30 0.15 -1.58 0.00 0.00 0.00 175.76 174.72 1t60 s HIS 43 N -1.69 -0.16 0.47 0.00 2.46 0.01 -4.93 115.29 111.46 1t60 s HIS 43 Ca 0.48 0.57 0.08 0.00 0.47 0.00 0.00 55.06 56.66 1t60 s HIS 43 Cb -0.15 -0.26 0.02 0.00 -0.13 0.00 0.00 32.58 32.07 1t60 s HIS 43 CO 0.20 -0.25 0.55 0.20 -2.47 0.00 0.00 174.74 172.97 1t60 s GLY 44 N 2.15 1.99 -0.11 1.59 0.00 -1.26 -1.16 107.32 110.51 1t60 s GLY 44 Ca 0.02 -1.80 -0.00 0.00 0.00 0.00 0.00 44.72 42.93 1t60 s GLY 44 CO -0.06 -1.64 -0.08 1.20 0.00 0.00 0.00 173.10 172.53 1t60 s GLN 45 N -4.35 1.59 0.09 2.90 -1.52 -1.03 -4.98 119.66 112.36 1t60 s GLN 45 Ca 0.53 -0.28 -0.34 0.00 -1.95 0.00 0.00 55.36 53.31 1t60 s GLN 45 Cb -0.06 -1.62 -0.14 0.00 -0.22 0.00 0.00 33.01 30.97 1t60 s GLN 45 CO 0.32 -0.26 1.62 -3.47 -0.25 0.00 0.00 175.29 173.25 1t60 n ASP 46 N 4.91 2.98 0.10 5.90 2.03 -1.26 -4.61 116.55 126.60 1t60 n ASP 46 Ca -0.13 1.06 0.07 0.00 0.52 0.00 0.00 54.79 56.31 1t60 n ASP 46 Cb 0.50 -1.38 0.38 0.00 -0.72 0.00 0.00 41.12 39.90 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 4.06 0.36 -0.42 -2.67 4.77 -1.26 -1.01 117.00 120.82 1t60 n LEU 47 Ca 0.19 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.96 1t60 n LEU 47 Cb 0.27 -0.71 0.35 0.00 -2.33 0.00 0.00 43.42 41.00 1t60 n LEU 47 CO 0.66 -0.79 0.68 0.61 -1.33 0.00 0.00 177.39 177.22 1t60 n GLY 48 N -1.35 -0.18 3.71 -0.72 0.00 -1.26 -4.45 105.19 100.95 1t60 n GLY 48 Ca -0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.29 3.78 0.25 2.61 -4.23 -0.18 -2.74 115.64 112.84 1t60 s THR 49 Ca 0.28 -1.74 0.35 0.00 -1.18 0.00 0.00 61.69 59.41 1t60 s THR 49 Cb 0.20 -3.04 0.36 0.00 1.34 0.00 0.00 72.50 71.36 1t60 s THR 49 CO 0.45 -0.36 2.07 0.00 -0.54 0.00 0.00 174.62 176.23 1t60 h ALA 50 N 1.75 1.00 0.00 3.99 0.00 -1.92 -2.04 119.26 122.04 1t60 h ALA 50 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1t60 h ALA 50 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t60 h ALA 50 CO 0.61 0.00 -0.03 0.78 0.00 0.00 0.00 179.25 180.61 1t60 h GLY 51 N 0.58 0.00 -1.27 0.00 0.00 -1.95 -0.92 103.07 99.52 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 -3.25 2.17 -3.89 0.19 3.41 -0.77 -4.68 113.62 106.81 1t60 n SER 52 Ca -0.02 -1.81 -0.30 0.00 -0.26 0.00 0.00 58.87 56.48 1t60 n SER 52 Cb 0.18 -0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 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 1.08 4.35 0.42 0.00 1.43 -0.76 -4.83 118.68 120.37 1t60 s LEU 54 Ca 0.11 0.49 0.20 0.00 -1.03 0.00 0.00 54.13 53.90 1t60 s LEU 54 Cb -0.19 -2.17 0.94 0.00 0.03 0.00 0.00 46.19 44.79 1t60 s LEU 54 CO -0.14 0.32 1.87 0.03 0.23 0.00 0.00 176.35 178.67 1t60 h ARG 55 N 5.43 0.00 -5.43 1.70 3.08 -1.88 0.48 114.38 117.77 1t60 h ARG 55 Ca -0.51 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.93 1t60 h ARG 55 Cb 1.21 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.94 1t60 h ARG 55 CO 0.64 0.29 -0.85 0.15 -1.07 0.00 0.00 179.97 179.12 1t60 s LYS 56 N -3.97 2.17 0.30 0.04 1.02 -1.26 -4.69 119.74 113.34 1t60 s LYS 56 Ca -0.02 -0.71 -0.00 0.00 0.02 0.00 0.00 55.97 55.26 1t60 s LYS 56 Cb 0.13 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 1t60 s LYS 56 CO 0.67 0.25 0.50 0.12 -0.92 0.00 0.00 175.35 175.97 1t60 s PHE 57 N 0.09 3.49 -0.25 3.18 2.19 -1.26 -4.92 117.98 120.50 1t60 s PHE 57 Ca -0.07 0.38 -0.27 0.00 0.33 0.00 0.00 56.93 57.29 1t60 s PHE 57 Cb -0.13 -1.90 0.16 0.00 -1.31 0.00 0.00 43.02 39.83 1t60 s PHE 57 CO 0.04 0.21 1.19 0.45 1.83 0.00 0.00 175.22 178.94 1t60 s SER 58 N -3.68 -0.24 0.46 6.13 0.15 -1.26 -5.00 113.70 110.26 1t60 s SER 58 Ca 0.40 0.36 0.31 0.00 0.70 0.00 0.00 55.95 57.72 1t60 s SER 58 Cb -0.10 0.33 1.28 0.00 -1.71 0.00 0.00 66.02 65.82 1t60 s SER 58 CO 0.33 -0.15 1.91 0.71 1.20 0.00 0.00 173.24 177.24 1t60 h THR 59 N 2.81 0.00 -2.64 6.45 1.35 -1.94 -3.32 112.91 115.61 1t60 h THR 59 Ca -0.20 -0.40 -0.59 0.00 -0.55 0.00 0.00 66.41 64.66 1t60 h THR 59 Cb 1.18 1.31 -0.39 0.00 -1.73 0.00 0.00 68.15 68.51 1t60 h THR 59 CO 0.21 0.00 -0.84 -0.32 -0.25 0.00 0.00 175.52 174.32 1t60 s MET 60 N -3.57 1.04 0.00 4.72 -2.45 -1.26 -4.02 119.30 113.76 1t60 s MET 60 Ca 0.02 -1.97 0.18 0.00 -1.25 0.00 0.00 55.69 52.67 1t60 s MET 60 Cb 0.09 -1.79 0.95 0.00 1.25 0.00 0.00 34.83 35.33 1t60 s MET 60 CO 0.49 -1.27 1.63 -0.35 1.05 0.00 0.00 175.02 176.57 1t60 n PRO 61 N 3.28 1.21 -4.19 4.11 -0.04 -1.25 -4.90 135.00 133.21 1t60 n PRO 61 Ca 0.19 -0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.21 1t60 n PRO 61 Cb 0.40 -1.31 -0.09 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.94 1.15 0.19 0.54 -0.71 -1.26 -5.09 117.98 110.86 1t60 s PHE 62 Ca 0.28 -1.35 -0.03 0.00 -1.04 0.00 0.00 56.93 54.79 1t60 s PHE 62 Cb 0.13 -0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 41.40 1t60 s PHE 62 CO 0.22 -0.70 0.16 -0.48 -1.34 0.00 0.00 175.22 173.08 1t60 s LEU 63 N -3.17 1.19 0.06 -1.99 -0.00 -1.26 -4.53 118.68 108.98 1t60 s LEU 63 Ca 0.38 -1.28 0.06 0.00 -0.00 0.00 0.00 54.13 53.28 1t60 s LEU 63 Cb 0.06 0.54 -0.03 0.00 -0.00 0.00 0.00 46.19 46.76 1t60 s LEU 63 CO 0.13 -0.85 -0.15 0.72 -0.00 0.00 0.00 176.35 176.20 1t60 s PHE 64 N -4.11 1.31 0.22 3.48 -0.12 -0.59 -4.97 117.98 113.20 1t60 s PHE 64 Ca 0.33 -0.42 0.09 0.00 -0.05 0.00 0.00 56.93 56.88 1t60 s PHE 64 Cb 0.06 -0.75 -0.05 0.00 -0.63 0.00 0.00 43.02 41.66 1t60 s PHE 64 CO 0.09 0.07 -0.16 0.00 -0.05 0.00 0.00 175.22 175.17 1t60 s ASN 66 N -3.26 2.12 0.61 0.00 2.47 -0.67 -4.99 114.94 111.21 1t60 s ASN 66 Ca 0.23 -1.25 0.31 0.00 0.42 0.00 0.00 52.86 52.58 1t60 s ASN 66 Cb -0.03 -0.04 1.82 0.00 -1.45 0.00 0.00 41.25 41.55 1t60 s ASN 66 CO 0.09 -0.50 2.17 0.40 -3.72 0.00 0.00 177.10 175.54 1t60 h ILE 67 N 2.36 0.39 0.00 -5.21 5.03 -2.02 -0.54 117.51 117.52 1t60 h ILE 67 Ca -0.39 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 1t60 h ILE 67 Cb 1.23 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 35.92 1t60 h ILE 67 CO 0.66 0.00 0.00 -0.46 -0.68 0.00 0.00 178.15 177.67 1t60 n ASN 68 N -3.65 0.00 -3.27 1.72 6.94 -1.26 -4.85 115.26 110.89 1t60 n ASN 68 Ca -0.01 -1.44 -0.20 0.00 -0.02 0.00 0.00 54.58 52.92 1t60 n ASN 68 Cb 0.22 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.72 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 -0.61 -4.62 -4.02 0.53 3.02 -0.21 -5.02 115.26 104.33 1t60 n ASN 69 Ca 0.04 -0.51 -0.24 0.00 -0.03 0.00 0.00 54.58 53.84 1t60 n ASN 69 Cb 0.02 -4.64 -0.16 0.00 -0.61 0.00 0.00 39.78 34.39 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 -3.30 1.06 0.02 2.41 1.01 -1.24 -4.99 120.40 115.36 1t60 s VAL 70 Ca 0.35 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1t60 s VAL 70 Cb -0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1t60 s VAL 70 CO 0.66 0.33 -0.14 0.00 0.00 0.00 0.00 175.10 175.96 1t60 s ASN 72 N -1.34 2.54 -0.15 0.00 0.01 0.13 -4.97 114.94 111.15 1t60 s ASN 72 Ca 0.15 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 1t60 s ASN 72 Cb -0.11 -1.14 0.00 0.00 0.41 0.00 0.00 41.25 40.42 1t60 s ASN 72 CO 0.05 0.11 -0.18 0.12 -1.51 0.00 0.00 177.10 175.70 1t60 s PHE 73 N 0.44 2.74 -1.17 2.20 5.36 -1.26 -1.54 117.98 124.75 1t60 s PHE 73 Ca -0.16 -1.17 -0.03 0.00 -0.96 0.00 0.00 56.93 54.61 1t60 s PHE 73 Cb -0.17 -1.86 0.02 0.00 -0.34 0.00 0.00 43.02 40.67 1t60 s PHE 73 CO 0.07 -0.53 0.19 0.00 -1.46 0.00 0.00 175.22 173.49 1t60 n ALA 74 N 4.08 -0.88 -1.51 11.12 0.00 -1.26 -4.86 120.51 127.20 1t60 n ALA 74 Ca -0.19 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1t60 n ALA 74 Cb 0.52 -2.09 0.20 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.01 2.14 0.00 0.00 7.64 -1.26 -4.82 113.62 115.30 1t60 n SER 75 Ca -0.11 -3.82 0.00 0.00 1.01 0.00 0.00 58.87 55.96 1t60 n SER 75 Cb 0.59 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.12 0.00 -2.83 1.43 0.63 -1.26 -5.09 116.66 108.42 1t60 n ARG 76 Ca 0.26 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.08 1t60 n ARG 76 Cb 0.87 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.80 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 0.75 -4.96 6.15 5.03 -1.26 -4.93 115.26 116.03 1t60 n ASN 77 Ca 0.00 -2.83 -0.22 0.00 0.87 0.00 0.00 54.58 52.41 1t60 n ASN 77 Cb 0.00 -0.28 0.02 0.00 -1.02 0.00 0.00 39.78 38.49 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 -2.64 5.65 0.25 6.41 -0.00 -1.26 -4.90 116.67 120.18 1t60 s ASP 78 Ca 0.30 0.13 0.07 0.00 -0.00 0.00 0.00 52.55 53.05 1t60 s ASP 78 Cb 0.41 -1.26 -0.05 0.00 -0.00 0.00 0.00 42.92 42.01 1t60 s ASP 78 CO -0.01 -0.83 -0.08 -0.31 -0.00 0.00 0.00 175.17 173.93 1t60 s TYR 79 N -2.59 1.82 0.00 4.23 1.51 -0.44 -1.51 117.35 120.37 1t60 s TYR 79 Ca 0.51 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1t60 s TYR 79 Cb -0.10 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1t60 s TYR 79 CO 0.37 0.27 0.01 -1.54 -1.11 0.00 0.00 175.55 173.55 1t60 s SER 80 N -3.38 0.08 -0.04 2.29 1.04 -0.48 -1.72 113.70 111.49 1t60 s SER 80 Ca 0.27 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.55 1t60 s SER 80 Cb 0.02 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1t60 s SER 80 CO 0.10 -0.14 -0.13 -0.31 0.98 0.00 0.00 173.24 173.74 1t60 s TYR 81 N -0.62 1.35 0.09 5.02 2.02 0.48 -0.19 117.35 125.51 1t60 s TYR 81 Ca -0.07 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.29 1t60 s TYR 81 Cb -0.04 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.54 1t60 s TYR 81 CO -0.00 -0.16 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.11 1t60 s TRP 82 N 0.23 1.22 0.44 2.71 0.52 -0.95 -0.62 118.94 122.48 1t60 s TRP 82 Ca -0.06 -0.54 -0.24 0.00 0.02 0.00 0.00 56.10 55.28 1t60 s TRP 82 Cb -0.11 -0.67 -0.08 0.00 -1.15 0.00 0.00 33.47 31.46 1t60 s TRP 82 CO 0.02 0.07 1.23 -0.51 0.02 0.00 0.00 176.95 177.78 1t60 s LEU 83 N -2.16 4.11 0.39 2.99 1.43 -0.28 -1.09 118.68 124.07 1t60 s LEU 83 Ca 0.03 2.49 0.08 0.00 -1.03 0.00 0.00 54.13 55.70 1t60 s LEU 83 Cb -0.06 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 1t60 s LEU 83 CO 0.02 -0.91 0.28 -0.94 0.23 0.00 0.00 176.35 175.03 1t60 s SER 84 N -1.04 4.87 0.52 2.29 1.04 0.18 -1.48 113.70 120.07 1t60 s SER 84 Ca 0.60 -0.80 0.09 0.00 0.48 0.00 0.00 55.95 56.33 1t60 s SER 84 Cb -0.34 -0.63 0.06 0.00 0.10 0.00 0.00 66.02 65.21 1t60 s SER 84 CO 0.42 -0.52 0.71 0.42 0.98 0.00 0.00 173.24 175.25 1t60 s THR 85 N -2.47 2.45 -2.00 2.02 -4.23 -0.70 -4.59 115.64 106.12 1t60 s THR 85 Ca 0.44 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1t60 s THR 85 Cb -0.02 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.48 1t60 s THR 85 CO 0.25 0.00 0.95 -0.81 -0.54 0.00 0.00 174.62 174.47 1t60 n PRO 86 N -2.10 0.78 -1.67 3.99 -0.04 -1.25 -4.85 135.00 129.86 1t60 n PRO 86 Ca 0.13 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 63.10 1t60 n PRO 86 Cb 0.61 -1.08 -0.05 0.00 -0.04 0.00 0.00 33.50 32.94 1t60 n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t60 n GLU 87 N -0.58 1.93 -2.17 0.54 4.07 -1.26 -4.91 120.64 118.25 1t60 n GLU 87 Ca 0.03 0.70 -0.37 0.00 -0.06 0.00 0.00 57.16 57.46 1t60 n GLU 87 Cb 0.01 -2.47 0.00 0.00 -0.06 0.00 0.00 31.44 28.92 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 2.36 3.57 0.30 5.31 0.04 -1.26 -4.99 135.00 140.32 1t60 s PRO 88 Ca 0.87 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.44 1t60 s PRO 88 Cb -0.76 -2.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.38 1t60 s PRO 88 CO 0.47 -0.72 1.23 1.41 0.04 0.00 0.00 177.00 179.43 1t60 s MET 89 N -2.84 4.47 0.52 4.56 1.75 -1.26 -4.96 119.30 121.54 1t60 s MET 89 Ca 0.67 2.04 -0.20 0.00 -1.25 0.00 0.00 55.69 56.95 1t60 s MET 89 Cb -0.30 -3.13 -0.08 0.00 2.84 0.00 0.00 34.83 34.16 1t60 s MET 89 CO 0.35 -0.05 0.82 -2.30 -0.65 0.00 0.00 175.02 173.20 1t60 n PRO 90 N 1.16 0.90 0.02 4.11 -0.02 -1.26 -4.85 135.00 135.06 1t60 n PRO 90 Ca 0.00 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.93 1t60 n PRO 90 Cb 0.43 -1.95 0.56 0.00 -0.02 0.00 0.00 33.50 32.52 1t60 n PRO 90 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t60 h MET 91 N 0.76 0.26 0.00 -0.52 2.86 -1.98 -0.52 114.93 115.79 1t60 h MET 91 Ca -0.46 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.12 1t60 h MET 91 Cb 1.37 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 1t60 h MET 91 CO 0.52 0.17 -0.23 0.66 1.06 0.00 0.00 176.91 179.09 1t60 h SER 92 N 0.26 0.00 -0.50 1.22 4.64 -2.03 -3.46 113.55 113.68 1t60 h SER 92 Ca 0.19 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.30 1t60 h SER 92 Cb 0.42 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.43 1t60 h SER 92 CO -0.04 0.23 -0.19 0.23 -0.87 0.00 0.00 176.83 176.19 1t60 n MET 93 N -3.44 -1.19 -3.05 4.77 0.00 -0.20 -4.98 117.12 109.02 1t60 n MET 93 Ca -0.00 0.82 -0.28 0.00 0.00 0.00 0.00 57.70 58.24 1t60 n MET 93 Cb 0.41 -4.96 -0.02 0.00 0.00 0.00 0.00 33.22 28.66 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 -2.15 3.51 0.43 3.04 0.00 -1.26 -5.00 121.76 120.32 1t60 s ALA 94 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 1t60 s ALA 94 Cb 0.00 -2.45 -0.10 0.00 0.00 0.00 0.00 23.12 20.57 1t60 s ALA 94 CO 0.00 -0.00 1.06 -2.30 0.00 0.00 0.00 175.76 174.52 1t60 n PRO 95 N -1.46 1.43 -3.44 0.00 -0.02 -1.26 -4.86 135.00 125.39 1t60 n PRO 95 Ca -0.01 0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 1t60 n PRO 95 Cb 0.54 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.27 4.94 0.16 4.25 1.01 0.16 -4.86 121.20 125.60 1t60 s ILE 96 Ca 0.63 0.83 0.01 0.00 0.00 0.00 0.00 60.65 62.12 1t60 s ILE 96 Cb -0.54 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1t60 s ILE 96 CO 0.57 0.43 0.01 0.42 0.00 0.00 0.00 174.94 176.36 1t60 s THR 97 N -1.25 0.58 0.00 2.92 -4.23 -1.26 -1.34 115.64 111.06 1t60 s THR 97 Ca 0.30 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1t60 s THR 97 Cb -0.16 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1t60 s THR 97 CO 0.17 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1t60 n GLY 98 N -0.21 2.36 0.32 3.99 0.00 -1.26 -1.75 105.19 108.64 1t60 n GLY 98 Ca -0.06 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.46 114.58 117.13 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 0.09 -1.16 0.00 0.00 179.01 177.94 1t60 n ASN 100 N -3.56 0.38 0.04 1.42 3.02 -0.72 -2.66 115.26 113.19 1t60 n ASN 100 Ca -0.02 0.60 -0.19 0.00 -0.03 0.00 0.00 54.58 54.94 1t60 n ASN 100 Cb 0.12 -0.68 -0.09 0.00 -0.61 0.00 0.00 39.78 38.51 1t60 n ASN 100 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1t60 h ILE 101 N 0.00 1.30 -0.93 2.41 2.04 -1.32 -3.37 117.51 117.64 1t60 h ILE 101 Ca 0.00 -2.27 0.21 0.00 1.00 0.00 0.00 64.86 63.80 1t60 h ILE 101 Cb 0.27 2.37 -0.17 0.00 -0.74 0.00 0.00 36.82 38.55 1t60 h ILE 101 CO 0.00 0.70 -0.13 -0.09 0.00 0.00 0.00 178.15 178.63 1t60 h ARG 102 N 0.38 0.01 0.00 2.37 2.43 -1.68 0.96 114.38 118.85 1t60 h ARG 102 Ca -0.12 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1t60 h ARG 102 Cb 1.67 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1t60 h ARG 102 CO 0.20 0.01 0.04 -1.35 -1.51 0.00 0.00 179.97 177.36 1t60 h PRO 103 N 0.01 0.00 0.00 0.20 0.11 -1.78 -2.54 132.00 128.01 1t60 h PRO 103 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1t60 h PRO 103 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1t60 h PRO 103 CO -0.92 0.00 -0.88 1.19 -0.21 0.00 0.00 178.00 177.18 1t60 n PHE 104 N -2.72 0.22 -3.33 0.65 3.01 0.33 -4.60 117.46 111.02 1t60 n PHE 104 Ca -0.02 0.06 -0.38 0.00 1.01 0.00 0.00 57.45 58.12 1t60 n PHE 104 Cb 0.09 -0.38 -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 -3.14 5.17 0.64 4.37 -1.09 -0.96 -1.73 121.20 124.47 1t60 s ILE 105 Ca 0.06 0.82 -0.17 0.00 -2.23 0.00 0.00 60.65 59.13 1t60 s ILE 105 Cb 0.15 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1t60 s ILE 105 CO 0.78 0.24 1.15 -0.55 -1.23 0.00 0.00 174.94 175.33 1t60 s SER 106 N 1.01 5.07 0.25 3.58 0.15 -0.55 -4.49 113.70 118.72 1t60 s SER 106 Ca 0.22 2.17 0.08 0.00 0.70 0.00 0.00 55.95 59.11 1t60 s SER 106 Cb -0.15 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1t60 s SER 106 CO 0.09 -1.66 0.13 -0.13 1.20 0.00 0.00 173.24 172.86 1t60 s ARG 107 N -3.77 2.72 0.20 5.44 1.81 -0.94 -1.76 118.95 122.65 1t60 s ARG 107 Ca 0.71 -1.15 -0.02 0.00 -1.72 0.00 0.00 55.73 53.54 1t60 s ARG 107 Cb -0.24 -2.44 -0.04 0.00 -0.45 0.00 0.00 34.95 31.78 1t60 s ARG 107 CO 0.38 0.40 0.16 0.00 -0.68 0.00 0.00 175.30 175.56 1t60 s ALA 109 N -4.13 0.02 -0.27 0.00 0.00 -0.08 -1.49 121.76 115.82 1t60 s ALA 109 Ca 0.35 0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 1t60 s ALA 109 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1t60 s ALA 109 CO 0.10 -0.08 0.09 0.08 0.00 0.00 0.00 175.76 175.96 1t60 s VAL 110 N 0.74 4.37 0.02 0.00 1.01 -0.25 -1.26 120.40 125.02 1t60 s VAL 110 Ca -0.06 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1t60 s VAL 110 Cb -0.09 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1t60 s VAL 110 CO -0.02 0.24 -0.19 0.00 0.00 0.00 0.00 175.10 175.14 1t60 s GLU 112 N -1.21 4.35 0.01 0.00 2.12 0.65 -1.23 118.70 123.39 1t60 s GLU 112 Ca 0.13 0.73 0.06 0.00 0.36 0.00 0.00 54.97 56.26 1t60 s GLU 112 Cb -0.10 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 1t60 s GLU 112 CO 0.04 0.27 -0.18 0.00 -0.54 0.00 0.00 175.26 174.85 1t60 s ALA 113 N 0.15 2.56 -0.13 6.30 0.00 0.17 -1.88 121.76 128.93 1t60 s ALA 113 Ca 0.32 -1.13 0.29 0.00 0.00 0.00 0.00 51.96 51.45 1t60 s ALA 113 Cb -0.18 -0.78 1.27 0.00 0.00 0.00 0.00 23.12 23.43 1t60 s ALA 113 CO 0.16 0.56 1.87 -1.00 0.00 0.00 0.00 175.76 177.36 1t60 h PRO 114 N 4.87 0.00 -3.69 0.00 0.13 -1.85 -2.89 132.00 128.57 1t60 h PRO 114 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1t60 h PRO 114 Cb 1.15 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1t60 h PRO 114 CO 0.48 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.21 1t60 s ALA 115 N -3.54 0.07 0.29 -0.56 0.00 -1.26 -4.12 121.76 112.64 1t60 s ALA 115 Ca 0.02 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1t60 s ALA 115 Cb 0.09 1.00 -0.13 0.00 0.00 0.00 0.00 23.12 24.08 1t60 s ALA 115 CO 0.44 -0.86 1.19 -1.33 0.00 0.00 0.00 175.76 175.20 1t60 n MET 116 N -0.51 1.73 -4.71 0.00 2.81 -1.26 -4.73 117.12 110.46 1t60 n MET 116 Ca -0.02 0.61 -0.28 0.00 -1.81 0.00 0.00 57.70 56.20 1t60 n MET 116 Cb 0.61 -2.11 -0.14 0.00 -0.71 0.00 0.00 33.22 30.87 1t60 n MET 116 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1t60 s VAL 117 N -0.84 1.99 0.29 2.03 1.01 -1.26 -2.20 120.40 121.42 1t60 s VAL 117 Ca 0.60 -1.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1t60 s VAL 117 Cb -0.66 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1t60 s VAL 117 CO 0.58 0.25 0.53 0.00 0.00 0.00 0.00 175.10 176.46 1t60 s MET 118 N -1.40 1.72 0.13 2.72 0.23 -0.39 -4.85 119.30 117.46 1t60 s MET 118 Ca 0.10 -1.36 0.10 0.00 -1.03 0.00 0.00 55.69 53.51 1t60 s MET 118 Cb -0.10 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.66 1t60 s MET 118 CO 0.03 -0.73 -0.25 0.00 -2.03 0.00 0.00 175.02 172.03 1t60 s ALA 119 N -3.62 2.25 0.02 3.16 0.00 -0.49 -0.50 121.76 122.58 1t60 s ALA 119 Ca 0.22 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1t60 s ALA 119 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1t60 s ALA 119 CO 0.11 0.48 -0.07 0.14 0.00 0.00 0.00 175.76 176.42 1t60 s VAL 120 N -1.15 0.55 -0.07 0.00 -7.23 -0.65 -4.51 120.40 107.34 1t60 s VAL 120 Ca 0.13 -0.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.74 1t60 s VAL 120 Cb -0.10 -0.52 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 1t60 s VAL 120 CO 0.06 -0.06 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.55 1t60 s HIS 121 N -0.64 2.35 -0.01 2.82 3.76 -1.26 -1.77 115.29 120.54 1t60 s HIS 121 Ca -0.02 -0.76 0.11 0.00 -0.15 0.00 0.00 55.06 54.24 1t60 s HIS 121 Cb -0.05 -1.56 -0.16 0.00 1.11 0.00 0.00 32.58 31.92 1t60 s HIS 121 CO 0.00 -0.26 1.06 0.66 -0.85 0.00 0.00 174.74 175.35 1t60 h SER 122 N 6.25 0.00 -2.62 1.40 4.64 -1.61 -3.48 113.55 118.13 1t60 h SER 122 Ca -0.29 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.69 1t60 h SER 122 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1t60 h SER 122 CO 0.47 0.86 -0.45 0.00 -0.87 0.00 0.00 176.83 176.84 1t60 n GLN 123 N -3.17 -1.70 -4.05 4.77 6.02 -1.26 -4.93 117.38 113.06 1t60 n GLN 123 Ca -0.06 0.83 -0.12 0.00 -0.01 0.00 0.00 57.00 57.64 1t60 n GLN 123 Cb 0.93 -5.30 -0.05 0.00 1.02 0.00 0.00 30.24 26.84 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 -2.89 0.00 -1.76 5.09 -4.23 -1.26 -0.55 115.64 110.04 1t60 s THR 124 Ca 0.03 -1.52 0.31 0.00 -1.18 0.00 0.00 61.69 59.33 1t60 s THR 124 Cb -0.01 -2.47 0.74 0.00 1.34 0.00 0.00 72.50 72.09 1t60 s THR 124 CO 0.04 0.00 2.14 2.30 -0.54 0.00 0.00 174.62 178.56 1t60 n ILE 125 N -0.47 0.00 -3.90 2.99 -5.35 -1.26 -2.23 119.36 109.15 1t60 n ILE 125 Ca -0.01 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 1t60 n ILE 125 Cb 0.62 -0.51 -0.05 0.00 -1.74 0.00 0.00 39.64 37.96 1t60 n ILE 125 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t60 s GLN 126 N -2.24 3.44 -0.01 6.28 -2.07 -1.26 -4.86 119.66 118.94 1t60 s GLN 126 Ca 0.39 -0.25 -0.30 0.00 -1.82 0.00 0.00 55.36 53.39 1t60 s GLN 126 Cb 0.21 -3.13 -0.06 0.00 -1.09 0.00 0.00 33.01 28.94 1t60 s GLN 126 CO 0.40 0.72 1.48 0.42 -1.32 0.00 0.00 175.29 176.99 1t60 s ILE 127 N -1.21 3.61 0.60 3.63 1.01 -1.26 -4.57 121.20 123.02 1t60 s ILE 127 Ca 0.22 0.95 -0.18 0.00 0.00 0.00 0.00 60.65 61.65 1t60 s ILE 127 Cb -0.12 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1t60 s ILE 127 CO 0.13 -0.02 1.15 -2.16 0.00 0.00 0.00 174.94 174.03 1t60 s PRO 128 N 2.77 3.01 0.24 2.79 0.04 -1.26 -5.03 135.00 137.55 1t60 s PRO 128 Ca 0.66 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1t60 s PRO 128 Cb -0.33 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 1t60 s PRO 128 CO 0.27 -1.12 0.62 -0.65 0.04 0.00 0.00 177.00 176.16 1t60 s GLN 129 N -3.59 3.94 0.69 4.56 -0.21 -1.26 -4.64 119.66 119.15 1t60 s GLN 129 Ca 0.72 0.49 -0.13 0.00 0.02 0.00 0.00 55.36 56.46 1t60 s GLN 129 Cb -0.25 -2.66 0.02 0.00 1.00 0.00 0.00 33.01 31.12 1t60 s GLN 129 CO 0.34 0.31 1.10 0.00 -2.12 0.00 0.00 175.29 174.92 1t60 s PRO 131 N -4.38 3.46 0.00 0.00 0.02 -1.26 -4.87 135.00 127.97 1t60 s PRO 131 Ca 0.65 1.96 -0.33 0.00 0.02 0.00 0.00 61.00 63.29 1t60 s PRO 131 Cb -0.19 -2.31 -0.11 0.00 0.02 0.00 0.00 34.50 31.91 1t60 s PRO 131 CO 0.46 -0.85 1.85 2.41 -0.33 0.00 0.00 177.00 180.54 1t60 n THR 132 N -0.78 0.50 0.00 0.99 -1.04 -1.26 -1.03 114.28 111.66 1t60 n THR 132 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t60 n THR 132 Cb 0.47 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 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 4.26 0.97 3.14 3.41 0.00 -1.26 -5.09 105.19 110.63 1t60 n GLY 133 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 1.63 0.34 1.61 0.52 -0.20 -4.58 118.94 116.27 1t60 s TRP 134 Ca 0.00 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.76 1t60 s TRP 134 Cb 0.00 -1.08 -0.01 0.00 -1.15 0.00 0.00 33.47 31.22 1t60 s TRP 134 CO 0.00 -0.11 0.50 -1.54 0.02 0.00 0.00 176.95 175.82 1t60 s SER 135 N -0.13 6.05 0.01 2.95 1.04 0.11 -4.65 113.70 119.07 1t60 s SER 135 Ca 0.00 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.29 1t60 s SER 135 Cb -0.10 -1.52 -0.06 0.00 0.10 0.00 0.00 66.02 64.44 1t60 s SER 135 CO 0.01 -0.40 0.54 -0.55 0.98 0.00 0.00 173.24 173.82 1t60 s SER 136 N -4.13 6.95 -0.23 7.02 0.15 -1.26 -0.88 113.70 121.32 1t60 s SER 136 Ca 0.43 1.13 0.03 0.00 0.70 0.00 0.00 55.95 58.24 1t60 s SER 136 Cb -0.10 -2.34 -0.16 0.00 -1.71 0.00 0.00 66.02 61.72 1t60 s SER 136 CO 0.33 0.19 -0.18 0.18 1.20 0.00 0.00 173.24 174.96 1t60 n LEU 137 N 2.31 2.66 -3.62 3.45 4.77 0.11 -4.76 117.00 121.92 1t60 n LEU 137 Ca -0.09 -0.11 0.02 0.00 -0.03 0.00 0.00 56.01 55.79 1t60 n LEU 137 Cb 0.51 -0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1t60 n LEU 137 CO 0.42 0.84 1.08 -1.66 -1.33 0.00 0.00 177.39 176.74 1t60 s TRP 138 N -2.46 -0.04 0.18 -1.77 -2.14 -1.17 -4.64 118.94 106.90 1t60 s TRP 138 Ca -0.29 -0.06 0.07 0.00 2.66 0.00 0.00 56.10 58.48 1t60 s TRP 138 Cb 0.08 0.54 -0.04 0.00 -3.10 0.00 0.00 33.47 30.95 1t60 s TRP 138 CO 0.56 -0.25 -0.13 0.96 -2.66 0.00 0.00 176.95 175.42 1t60 s ILE 139 N -2.38 1.55 0.00 0.66 -4.36 -1.26 -0.46 121.20 114.94 1t60 s ILE 139 Ca 0.14 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1t60 s ILE 139 Cb 0.05 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.83 1t60 s ILE 139 CO -0.04 -0.61 0.00 0.61 0.24 0.00 0.00 174.94 175.14 1t60 n GLY 140 N -0.22 1.96 3.30 6.27 0.00 -0.50 -4.36 105.19 111.64 1t60 n GLY 140 Ca -0.09 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.42 2.04 -0.69 1.61 1.51 0.11 -1.90 117.35 119.61 1t60 s TYR 141 Ca 0.00 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.41 1t60 s TYR 141 Cb 0.00 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1t60 s TYR 141 CO 0.00 0.12 1.88 -1.12 -1.11 0.00 0.00 175.55 175.31 1t60 s SER 142 N -1.24 5.25 -0.33 2.29 0.01 -0.80 -1.51 113.70 117.37 1t60 s SER 142 Ca 0.09 0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.29 1t60 s SER 142 Cb -0.09 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1t60 s SER 142 CO 0.02 -2.47 0.21 0.12 0.41 0.00 0.00 173.24 171.54 1t60 s PHE 143 N 9.30 3.21 -0.14 2.43 5.36 0.10 -1.79 117.98 136.45 1t60 s PHE 143 Ca 0.67 -0.30 0.02 0.00 -0.96 0.00 0.00 56.93 56.36 1t60 s PHE 143 Cb -0.11 -2.44 -0.10 0.00 -0.34 0.00 0.00 43.02 40.03 1t60 s PHE 143 CO 0.15 -0.38 -0.11 1.55 -1.46 0.00 0.00 175.22 174.96 1t60 n VAL 144 N 5.07 0.82 -3.85 3.12 3.14 -0.48 -4.29 118.33 121.87 1t60 n VAL 144 Ca -0.13 -0.33 -0.10 0.00 -2.96 0.00 0.00 64.34 60.82 1t60 n VAL 144 Cb 0.50 -0.98 0.02 0.00 -1.06 0.00 0.00 33.84 32.31 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 -2.29 2.20 0.08 1.45 0.23 -1.10 -0.17 119.30 119.70 1t60 s MET 145 Ca -0.18 -1.50 -0.26 0.00 -1.03 0.00 0.00 55.69 52.73 1t60 s MET 145 Cb 0.05 0.60 0.08 0.00 -1.53 0.00 0.00 34.83 34.03 1t60 s MET 145 CO 0.35 -1.02 0.67 -3.38 -2.03 0.00 0.00 175.02 169.61 1t60 s HIS 146 N -2.38 -0.53 0.05 3.16 -3.43 -0.63 -0.52 115.29 111.01 1t60 s HIS 146 Ca 0.18 0.50 -0.05 0.00 -0.80 0.00 0.00 55.06 54.89 1t60 s HIS 146 Cb -0.04 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.61 1t60 s HIS 146 CO 0.13 -0.73 0.07 0.95 -2.00 0.00 0.00 174.74 173.16 1t60 s THR 147 N -2.98 0.15 0.00 -5.38 -4.23 -0.74 -2.76 115.64 99.70 1t60 s THR 147 Ca -0.01 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1t60 s THR 147 Cb -0.01 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1t60 s THR 147 CO -0.07 -0.70 0.00 -0.24 -0.54 0.00 0.00 174.62 173.07 1t60 n SER 148 N 0.50 0.00 -4.63 3.99 2.88 -0.32 -0.88 113.62 115.16 1t60 n SER 148 Ca -0.17 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 56.83 1t60 n SER 148 Cb 0.60 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.62 -1.07 -1.46 0.00 -1.26 0.07 120.51 113.17 1t60 n ALA 149 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.89 1t60 n ALA 149 Cb 0.00 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.30 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 3.09 0.36 2.42 0.00 0.00 -1.26 -2.12 105.19 107.68 1t60 n GLY 150 Ca 0.21 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 1.04 -0.33 -2.22 4.61 0.00 0.11 -4.99 120.51 118.74 1t60 n ALA 151 Ca -0.02 0.22 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 1t60 n ALA 151 Cb 0.38 -1.76 0.01 0.00 0.00 0.00 0.00 19.45 18.08 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 -3.90 3.32 0.00 0.00 0.41 -0.90 -4.72 118.70 112.91 1t60 s GLU 152 Ca 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.65 1t60 s GLU 152 Cb 0.00 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 1t60 s GLU 152 CO 0.00 -0.36 0.00 0.41 -0.49 0.00 0.00 175.26 174.82 1t60 n GLY 153 N -2.35 -0.75 0.40 -1.39 0.00 -1.26 -1.17 105.19 98.67 1t60 n GLY 153 Ca 0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 0.26 -0.24 -1.06 1.61 3.41 -1.11 -4.69 113.62 111.79 1t60 n SER 154 Ca 0.00 -1.18 -0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1t60 n SER 154 Cb 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.06 2.00 3.56 5.00 0.00 -1.26 -1.61 105.19 112.82 1t60 n GLY 155 Ca -0.01 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.00 2.01 0.08 1.61 -1.52 0.77 -4.75 119.66 115.85 1t60 s GLN 156 Ca 0.01 -1.34 -0.28 0.00 -1.95 0.00 0.00 55.36 51.80 1t60 s GLN 156 Cb -0.00 -2.11 -0.06 0.00 -0.22 0.00 0.00 33.01 30.62 1t60 s GLN 156 CO 0.00 0.42 0.87 0.00 -0.25 0.00 0.00 175.29 176.33 1t60 s ALA 157 N -1.81 3.31 -1.15 6.09 0.00 -1.26 -4.87 121.76 122.06 1t60 s ALA 157 Ca 0.25 0.43 0.12 0.00 0.00 0.00 0.00 51.96 52.77 1t60 s ALA 157 Cb -0.08 -3.14 0.57 0.00 0.00 0.00 0.00 23.12 20.47 1t60 s ALA 157 CO 0.15 0.02 1.37 1.28 0.00 0.00 0.00 175.76 178.58 1t60 n LEU 158 N 2.77 0.00 -0.63 0.00 4.77 -1.26 -1.50 117.00 121.15 1t60 n LEU 158 Ca -0.00 0.42 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 1t60 n LEU 158 Cb 0.50 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1t60 n LEU 158 CO 0.49 -0.24 0.52 0.00 -1.33 0.00 0.00 177.39 176.83 1t60 n ALA 159 N -1.42 2.41 -2.33 -1.18 0.00 -1.26 -4.60 120.51 112.13 1t60 n ALA 159 Ca 0.04 -0.76 -0.36 0.00 0.00 0.00 0.00 53.44 52.36 1t60 n ALA 159 Cb 0.13 -0.50 -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 -1.13 6.90 0.63 0.00 0.15 -0.57 -1.39 113.70 118.29 1t60 s SER 160 Ca 0.20 1.14 0.35 0.00 0.70 0.00 0.00 55.95 58.33 1t60 s SER 160 Cb 0.13 -2.31 1.95 0.00 -1.71 0.00 0.00 66.02 64.08 1t60 s SER 160 CO 0.18 0.16 2.19 -0.65 1.20 0.00 0.00 173.24 176.33 1t60 h PRO 161 N 3.90 0.00 0.00 5.44 0.11 -1.85 -0.74 132.00 138.86 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 0.18 -0.55 0.00 -1.86 -1.32 103.07 99.52 1t60 h GLY 162 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 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 -3.06 0.78 -3.96 0.19 3.41 -0.28 -4.55 113.62 106.15 1t60 n SER 163 Ca -0.01 -1.32 -0.30 0.00 -0.26 0.00 0.00 58.87 56.98 1t60 n SER 163 Cb 0.17 -0.01 -0.14 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 -0.10 4.30 0.54 0.00 1.43 -0.57 -4.74 118.68 119.54 1t60 s LEU 165 Ca 0.16 1.26 0.28 0.00 -1.03 0.00 0.00 54.13 54.79 1t60 s LEU 165 Cb -0.25 -3.19 1.56 0.00 0.03 0.00 0.00 46.19 44.34 1t60 s LEU 165 CO -0.01 -0.19 2.13 -0.33 0.23 0.00 0.00 176.35 178.18 1t60 h GLU 166 N 6.88 0.00 -4.29 1.70 5.08 -1.87 0.32 114.58 122.40 1t60 h GLU 166 Ca -0.39 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.46 1t60 h GLU 166 Cb 1.19 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.08 1t60 h GLU 166 CO 0.77 0.08 -0.80 -2.00 -1.00 0.00 0.00 179.01 176.06 1t60 s GLU 167 N -4.36 1.49 0.27 2.33 2.12 -1.26 -4.70 118.70 114.59 1t60 s GLU 167 Ca -0.04 -0.28 -0.29 0.00 0.36 0.00 0.00 54.97 54.72 1t60 s GLU 167 Cb 0.14 -1.45 -0.09 0.00 0.26 0.00 0.00 34.13 32.98 1t60 s GLU 167 CO 0.58 -0.16 1.12 0.12 -0.54 0.00 0.00 175.26 176.37 1t60 s PHE 168 N 1.34 3.54 -0.15 5.30 2.19 -1.26 -4.97 117.98 123.97 1t60 s PHE 168 Ca -0.02 1.66 -0.10 0.00 0.33 0.00 0.00 56.93 58.81 1t60 s PHE 168 Cb -0.14 -3.32 0.05 0.00 -1.31 0.00 0.00 43.02 38.31 1t60 s PHE 168 CO -0.04 -0.67 0.37 1.03 1.83 0.00 0.00 175.22 177.74 1t60 s ARG 169 N -1.36 0.37 0.41 10.12 1.81 -1.26 -5.02 118.95 124.02 1t60 s ARG 169 Ca 0.45 0.66 0.13 0.00 -1.72 0.00 0.00 55.73 55.25 1t60 s ARG 169 Cb -0.32 0.03 0.86 0.00 -0.45 0.00 0.00 34.95 35.06 1t60 s ARG 169 CO 0.41 -0.13 1.92 0.66 -0.68 0.00 0.00 175.30 177.49 1t60 h SER 170 N 6.67 0.06 -3.15 0.23 4.64 -2.00 -3.30 113.55 116.71 1t60 h SER 170 Ca -0.34 -0.01 -0.61 0.00 -0.47 0.00 0.00 61.79 60.35 1t60 h SER 170 Cb 1.18 -0.02 -0.41 0.00 -0.31 0.00 0.00 62.40 62.85 1t60 h SER 170 CO 0.30 0.29 -0.69 0.00 -0.87 0.00 0.00 176.83 175.87 1t60 s ALA 171 N -4.52 2.99 -2.00 5.18 0.00 -1.26 -4.42 121.76 117.72 1t60 s ALA 171 Ca -0.04 -3.29 0.30 0.00 0.00 0.00 0.00 51.96 48.94 1t60 s ALA 171 Cb 0.15 -2.00 1.57 0.00 0.00 0.00 0.00 23.12 22.84 1t60 s ALA 171 CO 0.72 -2.06 2.05 -0.35 0.00 0.00 0.00 175.76 176.11 1t60 n PRO 172 N 2.53 1.04 -3.89 0.00 -0.04 -1.24 -4.84 135.00 128.55 1t60 n PRO 172 Ca 0.18 -0.25 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 1t60 n PRO 172 Cb 0.37 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.13 0.08 0.11 0.54 -0.71 -1.26 -0.65 117.98 113.96 1t60 s PHE 173 Ca 0.41 -0.21 0.09 0.00 -1.04 0.00 0.00 56.93 56.18 1t60 s PHE 173 Cb 0.21 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 1t60 s PHE 173 CO 0.39 -0.27 -0.16 -1.50 -1.34 0.00 0.00 175.22 172.33 1t60 s ILE 174 N -1.43 2.96 -0.18 -4.49 2.07 -0.25 -4.82 121.20 115.05 1t60 s ILE 174 Ca -0.15 -1.45 -0.08 0.00 -1.41 0.00 0.00 60.65 57.56 1t60 s ILE 174 Cb -0.08 -2.36 -0.04 0.00 0.13 0.00 0.00 42.46 40.10 1t60 s ILE 174 CO 0.01 0.11 0.10 -0.70 -1.91 0.00 0.00 174.94 172.54 1t60 s GLU 175 N -2.15 4.01 0.26 3.50 2.12 -0.81 -2.25 118.70 123.38 1t60 s GLU 175 Ca 0.19 -0.27 0.10 0.00 0.36 0.00 0.00 54.97 55.34 1t60 s GLU 175 Cb -0.11 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1t60 s GLU 175 CO 0.11 0.33 -0.16 0.00 -0.54 0.00 0.00 175.26 175.00 1t60 s HIS 177 N -2.71 1.59 0.50 0.00 0.09 0.10 -1.38 115.29 113.48 1t60 s HIS 177 Ca 0.28 -0.60 0.20 0.00 -0.00 0.00 0.00 55.06 54.93 1t60 s HIS 177 Cb -0.02 -0.76 1.25 0.00 -0.00 0.00 0.00 32.58 33.05 1t60 s HIS 177 CO 0.12 0.28 2.01 0.78 -0.00 0.00 0.00 174.74 177.93 1t60 h GLY 178 N 2.74 0.21 1.73 -2.22 0.00 -1.46 -0.38 103.07 103.69 1t60 h GLY 178 Ca -0.38 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1t60 h GLY 178 CO 0.61 0.03 0.00 -0.96 0.00 0.00 0.00 176.54 176.22 1t60 n ARG 179 N -4.43 0.14 0.00 4.80 1.85 -1.26 -4.81 116.66 112.94 1t60 n ARG 179 Ca 0.08 0.17 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 1t60 n ARG 179 Cb 0.46 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 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 0.11 0.71 3.94 2.89 0.00 -0.15 -5.10 105.19 107.59 1t60 n GLY 180 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 5.14 0.01 2.61 -4.23 -1.25 -4.19 115.64 111.74 1t60 s THR 181 Ca 0.00 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1t60 s THR 181 Cb 0.00 -3.75 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 1t60 s THR 181 CO 0.00 -0.26 0.12 0.00 -0.54 0.00 0.00 174.62 173.93 1t60 s ASN 183 N -1.57 -0.10 0.02 0.00 2.47 0.37 0.36 114.94 116.48 1t60 s ASN 183 Ca -0.13 -0.20 -0.06 0.00 0.42 0.00 0.00 52.86 52.89 1t60 s ASN 183 Cb -0.06 0.26 -0.05 0.00 -1.45 0.00 0.00 41.25 39.95 1t60 s ASN 183 CO -0.00 -0.47 0.28 -0.31 -3.72 0.00 0.00 177.10 172.87 1t60 s TYR 184 N -2.68 3.57 0.08 0.43 1.51 -1.26 -1.92 117.35 117.07 1t60 s TYR 184 Ca 0.13 0.56 0.06 0.00 -1.01 0.00 0.00 57.07 56.81 1t60 s TYR 184 Cb 0.03 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1t60 s TYR 184 CO -0.02 0.59 -0.17 0.71 -1.11 0.00 0.00 175.55 175.55 1t60 s TYR 185 N -1.34 1.42 0.55 2.71 1.51 -1.26 -5.03 117.35 115.90 1t60 s TYR 185 Ca 0.29 -0.44 0.24 0.00 -1.01 0.00 0.00 57.07 56.16 1t60 s TYR 185 Cb -0.13 -0.80 1.45 0.00 -0.11 0.00 0.00 41.96 42.37 1t60 s TYR 185 CO 0.18 0.11 2.06 0.00 -1.11 0.00 0.00 175.55 176.78 1t60 h ALA 186 N 4.29 2.17 -0.46 3.71 0.00 -2.03 -1.44 119.26 125.50 1t60 h ALA 186 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1t60 h ALA 186 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t60 h ALA 186 CO 0.40 -0.39 0.00 0.27 0.00 0.00 0.00 179.25 179.53 1t60 n ASN 187 N -4.24 3.38 -4.53 0.00 6.94 -1.26 -4.78 115.26 110.78 1t60 n ASN 187 Ca 0.04 -2.28 -0.42 0.00 -0.02 0.00 0.00 54.58 51.91 1t60 n ASN 187 Cb 0.40 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.32 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 -1.71 2.85 -0.15 -2.53 0.00 -0.55 -4.05 121.76 115.62 1t60 s ALA 188 Ca 0.35 -1.68 -0.08 0.00 0.00 0.00 0.00 51.96 50.56 1t60 s ALA 188 Cb 0.22 -4.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1t60 s ALA 188 CO 0.18 -3.22 0.13 0.71 0.00 0.00 0.00 175.76 173.55 1t60 s TYR 189 N 5.13 3.51 -0.15 0.00 4.12 -0.06 -4.93 117.35 124.97 1t60 s TYR 189 Ca 0.34 0.44 -0.01 0.00 0.02 0.00 0.00 57.07 57.86 1t60 s TYR 189 Cb -0.08 -2.01 -0.01 0.00 -1.52 0.00 0.00 41.96 38.33 1t60 s TYR 189 CO 0.09 0.56 -0.11 -1.54 0.02 0.00 0.00 175.55 174.57 1t60 s SER 190 N -0.52 4.11 -0.14 2.29 1.04 -1.26 -1.79 113.70 117.42 1t60 s SER 190 Ca 0.12 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 1t60 s SER 190 Cb -0.12 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 1t60 s SER 190 CO 0.02 0.14 -0.02 -0.36 0.98 0.00 0.00 173.24 173.99 1t60 s PHE 191 N 0.53 3.07 0.09 5.02 0.40 0.32 -5.00 117.98 122.42 1t60 s PHE 191 Ca -0.08 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.16 1t60 s PHE 191 Cb -0.15 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 1t60 s PHE 191 CO 0.04 0.09 -0.14 -1.58 0.70 0.00 0.00 175.22 174.33 1t60 s TRP 192 N 0.09 1.30 0.26 0.36 0.52 -1.26 -1.38 118.94 118.83 1t60 s TRP 192 Ca 0.00 -0.51 -0.30 0.00 0.02 0.00 0.00 56.10 55.32 1t60 s TRP 192 Cb -0.13 -0.71 -0.10 0.00 -1.15 0.00 0.00 33.47 31.38 1t60 s TRP 192 CO 0.02 0.09 1.36 -0.51 0.02 0.00 0.00 176.95 177.93 1t60 s LEU 193 N -2.09 4.41 0.41 2.99 1.43 -0.74 -4.90 118.68 120.19 1t60 s LEU 193 Ca 0.03 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1t60 s LEU 193 Cb -0.07 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1t60 s LEU 193 CO 0.02 -0.59 0.62 0.00 0.23 0.00 0.00 176.35 176.63 1t60 s ALA 194 N -0.31 3.74 0.01 4.21 0.00 -1.26 -0.89 121.76 127.27 1t60 s ALA 194 Ca 0.55 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 1t60 s ALA 194 Cb -0.39 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1t60 s ALA 194 CO 0.44 -0.23 1.09 0.95 0.00 0.00 0.00 175.76 178.01 1t60 s THR 195 N -2.46 4.48 -0.10 0.00 -4.23 -0.38 -4.45 115.64 108.50 1t60 s THR 195 Ca 0.45 1.78 0.03 0.00 -1.18 0.00 0.00 61.69 62.76 1t60 s THR 195 Cb -0.10 -4.14 0.01 0.00 1.34 0.00 0.00 72.50 69.61 1t60 s THR 195 CO 0.37 0.12 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.75 1t60 s ILE 196 N 1.20 1.72 -0.06 2.99 -1.09 0.29 -4.95 121.20 121.30 1t60 s ILE 196 Ca 0.55 -0.80 -0.29 0.00 -2.23 0.00 0.00 60.65 57.87 1t60 s ILE 196 Cb -0.25 -1.53 -0.02 0.00 -1.58 0.00 0.00 42.46 39.09 1t60 s ILE 196 CO 0.27 0.49 0.96 -1.61 -1.23 0.00 0.00 174.94 173.82 1t60 s GLU 197 N 0.65 4.47 0.46 2.79 0.41 -1.26 -4.78 118.70 121.44 1t60 s GLU 197 Ca -0.13 1.35 0.32 0.00 -0.41 0.00 0.00 54.97 56.10 1t60 s GLU 197 Cb -0.16 -3.50 1.45 0.00 -1.78 0.00 0.00 34.13 30.14 1t60 s GLU 197 CO 0.03 -0.18 1.63 -0.09 -0.49 0.00 0.00 175.26 176.17 1t60 h ARG 198 N 6.96 0.08 0.00 1.61 2.43 -1.99 1.66 114.38 125.13 1t60 h ARG 198 Ca -0.36 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1t60 h ARG 198 Cb 1.18 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1t60 h ARG 198 CO 0.80 0.05 0.00 0.66 -1.51 0.00 0.00 179.97 179.98 1t60 h SER 199 N 0.09 0.00 -0.34 -3.80 4.64 -2.05 -3.28 113.55 108.81 1t60 h SER 199 Ca 0.81 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.13 1t60 h SER 199 Cb 2.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.74 1t60 h SER 199 CO -0.34 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.00 1t60 n GLU 200 N -3.07 2.50 -0.19 4.77 -0.58 0.56 -4.59 120.64 120.04 1t60 n GLU 200 Ca 0.04 -2.26 -0.00 0.00 -0.42 0.00 0.00 57.16 54.52 1t60 n GLU 200 Cb 0.51 -1.51 0.09 0.00 -0.57 0.00 0.00 31.44 29.96 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 4.55 0.13 -1.14 3.49 2.86 -1.51 -2.59 114.93 120.74 1t60 h MET 201 Ca 0.00 -0.01 -0.63 0.00 -2.06 0.00 0.00 59.70 57.00 1t60 h MET 201 Cb 1.00 -0.03 -0.36 0.00 0.06 0.00 0.00 31.60 32.27 1t60 h MET 201 CO 0.00 0.09 0.02 1.19 1.06 0.00 0.00 176.91 179.27 1t60 n PHE 202 N -5.24 3.05 -4.37 -0.22 3.01 -1.26 -4.95 117.46 107.48 1t60 n PHE 202 Ca 0.08 -2.65 -0.22 0.00 1.01 0.00 0.00 57.45 55.67 1t60 n PHE 202 Cb 0.32 -0.78 -0.13 0.00 -0.01 0.00 0.00 39.48 38.87 1t60 n PHE 202 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1t60 s LYS 203 N -3.73 1.08 0.14 -1.08 2.47 -0.98 -5.10 119.74 112.54 1t60 s LYS 203 Ca 0.55 -0.96 -0.35 0.00 -1.56 0.00 0.00 55.97 53.65 1t60 s LYS 203 Cb 0.45 -1.20 -0.15 0.00 -1.46 0.00 0.00 37.83 35.47 1t60 s LYS 203 CO -0.08 0.29 1.49 1.17 0.16 0.00 0.00 175.35 178.38 1t60 n LYS 204 N 1.52 1.79 -1.72 4.03 4.81 -1.26 -4.88 118.16 122.46 1t60 n LYS 204 Ca -0.19 0.65 -0.40 0.00 -0.87 0.00 0.00 58.31 57.50 1t60 n LYS 204 Cb 0.54 -2.37 0.03 0.00 0.02 0.00 0.00 35.03 33.25 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 3.06 1.78 -3.32 1.64 -0.02 -1.26 -4.95 135.00 131.94 1t60 n PRO 205 Ca 0.17 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1t60 n PRO 205 Cb 0.25 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.18 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 5.08 0.52 3.45 2.01 -1.26 -5.05 115.64 119.13 1t60 s THR 206 Ca 0.66 -0.21 -0.21 0.00 0.31 0.00 0.00 61.69 62.25 1t60 s THR 206 Cb -0.46 -4.01 -0.08 0.00 0.01 0.00 0.00 72.50 67.97 1t60 s THR 206 CO 0.54 -0.36 0.90 -2.65 -0.69 0.00 0.00 174.62 172.35 1t60 n PRO 207 N 5.61 1.01 -3.67 4.92 -0.02 -1.26 -5.03 135.00 136.56 1t60 n PRO 207 Ca -0.07 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1t60 n PRO 207 Cb 0.48 -2.03 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.02 -0.67 -0.33 2.55 0.15 -1.26 -5.12 113.70 108.00 1t60 s SER 208 Ca 0.69 1.17 -0.03 0.00 0.70 0.00 0.00 55.95 58.48 1t60 s SER 208 Cb -0.48 1.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.99 1t60 s SER 208 CO 0.52 -0.21 0.07 -0.89 1.20 0.00 0.00 173.24 173.94 1t60 s THR 209 N 1.04 3.22 0.03 6.45 2.01 -1.26 -5.10 115.64 122.03 1t60 s THR 209 Ca -0.06 -1.49 -0.14 0.00 0.31 0.00 0.00 61.69 60.32 1t60 s THR 209 Cb -0.06 -2.93 -0.06 0.00 0.01 0.00 0.00 72.50 69.47 1t60 s THR 209 CO -0.10 -0.26 0.42 -0.76 -0.69 0.00 0.00 174.62 173.24 1t60 s LEU 210 N 1.26 4.44 0.27 4.42 2.01 -1.26 -5.10 118.68 124.71 1t60 s LEU 210 Ca -0.01 0.94 0.11 0.00 0.01 0.00 0.00 54.13 55.17 1t60 s LEU 210 Cb -0.20 -2.74 -0.05 0.00 0.01 0.00 0.00 46.19 43.20 1t60 s LEU 210 CO -0.01 0.27 -0.17 -0.75 1.01 0.00 0.00 176.35 176.70 1t60 s LYS 211 N -1.35 1.63 -0.21 1.70 2.20 -1.26 -4.88 119.74 117.56 1t60 s LYS 211 Ca 0.27 -1.76 -0.37 0.00 -0.36 0.00 0.00 55.97 53.75 1t60 s LYS 211 Cb -0.16 -1.62 -0.17 0.00 -1.51 0.00 0.00 37.83 34.36 1t60 s LYS 211 CO 0.15 0.27 1.14 0.00 -0.36 0.00 0.00 175.35 176.56 1t60 n ALA 212 N -0.59 -2.19 0.00 3.13 0.00 -1.26 -1.02 120.51 118.58 1t60 n ALA 212 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1t60 n ALA 212 Cb 0.61 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 2.35 2.92 0.08 0.00 0.00 -1.26 -4.80 105.19 104.47 1t60 n GLY 213 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.97 0.77 0.24 1.61 0.28 -0.19 -4.79 120.64 117.60 1t60 n GLU 214 Ca 0.00 -1.00 -0.15 0.00 -0.16 0.00 0.00 57.16 55.84 1t60 n GLU 214 Cb 0.00 -1.03 -0.08 0.00 1.43 0.00 0.00 31.44 31.75 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 0.31 -0.48 0.00 -1.84 3.38 -1.86 -3.02 115.31 111.79 1t60 h LEU 215 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1t60 h LEU 215 Cb 0.26 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1t60 h LEU 215 CO 0.00 -0.27 0.00 0.54 0.09 0.00 0.00 178.44 178.80 1t60 n ARG 216 N -5.30 0.57 0.20 1.13 1.74 -1.26 -3.00 116.66 110.75 1t60 n ARG 216 Ca -0.11 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.09 1t60 n ARG 216 Cb 0.26 -1.13 0.21 0.00 -1.02 0.00 0.00 32.46 30.78 1t60 n ARG 216 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1t60 h THR 217 N 0.00 0.00 -0.14 0.55 1.35 -1.88 -3.27 112.91 109.53 1t60 h THR 217 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1t60 h THR 217 Cb 0.00 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 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 -2.96 0.19 -3.49 4.73 8.25 -1.16 -4.86 115.22 115.91 1t60 n HIS 218 Ca 0.04 -0.37 -0.38 0.00 -0.26 0.00 0.00 57.72 56.75 1t60 n HIS 218 Cb 0.51 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.87 5.25 0.59 1.59 1.01 -1.23 -1.25 120.40 125.48 1t60 s VAL 219 Ca 0.11 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.37 1t60 s VAL 219 Cb 0.06 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1t60 s VAL 219 CO 0.08 0.26 1.14 -0.24 0.00 0.00 0.00 175.10 176.35 1t60 n SER 220 N 4.61 1.58 -4.88 3.32 2.88 -0.07 -4.62 113.62 116.44 1t60 n SER 220 Ca -0.11 0.87 -0.21 0.00 -1.33 0.00 0.00 58.87 58.09 1t60 n SER 220 Cb 0.51 -1.47 -0.03 0.00 -0.75 0.00 0.00 64.21 62.47 1t60 n SER 220 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t60 s ARG 221 N -2.88 2.84 0.25 -1.46 1.81 -0.94 -1.90 118.95 116.66 1t60 s ARG 221 Ca 0.76 -1.20 -0.13 0.00 -1.72 0.00 0.00 55.73 53.44 1t60 s ARG 221 Cb -0.42 -2.57 -0.00 0.00 -0.45 0.00 0.00 34.95 31.51 1t60 s ARG 221 CO 0.47 0.12 0.47 0.00 -0.68 0.00 0.00 175.30 175.68 1t60 s GLN 223 N -4.02 0.28 -0.18 0.00 0.74 -0.73 -1.41 119.66 114.34 1t60 s GLN 223 Ca 0.23 0.46 -0.13 0.00 0.05 0.00 0.00 55.36 55.97 1t60 s GLN 223 Cb -0.01 0.04 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 1t60 s GLN 223 CO 0.09 -0.09 0.25 0.08 -0.55 0.00 0.00 175.29 175.07 1t60 s VAL 224 N 0.62 5.33 0.23 1.34 1.01 0.39 -1.64 120.40 127.67 1t60 s VAL 224 Ca -0.04 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1t60 s VAL 224 Cb -0.05 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1t60 s VAL 224 CO -0.04 0.38 -0.15 0.00 0.00 0.00 0.00 175.10 175.30 1t60 s MET 226 N -3.62 0.75 0.00 0.00 -2.45 -0.06 -1.27 119.30 112.65 1t60 s MET 226 Ca 0.25 -0.26 0.32 0.00 -1.25 0.00 0.00 55.69 54.74 1t60 s MET 226 Cb -0.01 -0.72 1.82 0.00 1.25 0.00 0.00 34.83 37.17 1t60 s MET 226 CO 0.09 0.12 2.18 -2.13 1.05 0.00 0.00 175.02 176.33