#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 s GLY 5 N 0.00 0.54 -0.09 -1.41 0.00 -1.26 -4.53 107.32 100.57 1t60 s GLY 5 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1t60 s GLY 5 CO 0.00 2.14 -0.10 -1.36 0.00 0.00 0.00 173.10 173.78 1t60 s PHE 6 N 1.80 2.86 0.00 1.90 0.40 -0.40 -4.91 117.98 119.64 1t60 s PHE 6 Ca 0.12 -0.20 -0.19 0.00 -0.60 0.00 0.00 56.93 56.05 1t60 s PHE 6 Cb -0.18 -1.75 -0.06 0.00 0.51 0.00 0.00 43.02 41.55 1t60 s PHE 6 CO -0.25 0.13 0.56 -0.51 0.70 0.00 0.00 175.22 175.86 1t60 s LEU 7 N -0.40 4.44 -0.05 -0.37 1.43 -1.26 0.17 118.68 122.64 1t60 s LEU 7 Ca 0.05 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1t60 s LEU 7 Cb -0.12 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.24 1t60 s LEU 7 CO 0.02 0.16 -0.14 0.54 0.23 0.00 0.00 176.35 177.16 1t60 s VAL 8 N -0.42 1.24 -0.08 -1.59 0.11 0.98 -4.87 120.40 115.77 1t60 s VAL 8 Ca 0.29 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1t60 s VAL 8 Cb -0.18 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1t60 s VAL 8 CO 0.17 0.37 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.38 1t60 s THR 9 N 0.36 3.98 -0.02 5.04 2.01 -1.19 -0.15 115.64 125.67 1t60 s THR 9 Ca -0.09 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.58 1t60 s THR 9 Cb -0.13 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 1t60 s THR 9 CO 0.03 0.60 -0.17 -0.60 -0.69 0.00 0.00 174.62 173.79 1t60 s ARG 10 N -0.78 1.51 -0.18 4.92 3.52 -0.41 -4.76 118.95 122.77 1t60 s ARG 10 Ca 0.12 -0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 55.10 1t60 s ARG 10 Cb -0.11 -1.40 -0.01 0.00 -1.56 0.00 0.00 34.95 31.87 1t60 s ARG 10 CO 0.02 0.32 -0.10 -1.01 -0.81 0.00 0.00 175.30 173.72 1t60 s HIS 11 N -0.23 2.88 0.21 5.12 3.76 -1.26 -0.89 115.29 124.88 1t60 s HIS 11 Ca 0.03 -0.89 0.06 0.00 -0.15 0.00 0.00 55.06 54.11 1t60 s HIS 11 Cb -0.08 -1.97 0.14 0.00 1.11 0.00 0.00 32.58 31.77 1t60 s HIS 11 CO 0.00 -0.43 1.48 0.66 -0.85 0.00 0.00 174.74 175.60 1t60 h SER 12 N 7.49 0.12 -0.94 1.40 4.64 -1.30 -3.46 113.55 121.51 1t60 h SER 12 Ca -0.35 -0.09 -0.27 0.00 -0.47 0.00 0.00 61.79 60.60 1t60 h SER 12 Cb 1.18 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.14 1t60 h SER 12 CO 0.59 0.83 -0.27 0.00 -0.87 0.00 0.00 176.83 177.11 1t60 n GLN 13 N -3.70 -0.97 -4.14 4.77 6.02 -1.26 -4.95 117.38 113.15 1t60 n GLN 13 Ca -0.02 0.90 -0.15 0.00 -0.01 0.00 0.00 57.00 57.72 1t60 n GLN 13 Cb 0.72 -5.02 -0.06 0.00 1.02 0.00 0.00 30.24 26.91 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 -2.54 0.00 -1.40 5.09 -4.23 -1.26 -4.08 115.64 107.21 1t60 s THR 14 Ca 0.00 -1.72 0.27 0.00 -1.18 0.00 0.00 61.69 59.07 1t60 s THR 14 Cb 0.00 -2.56 0.46 0.00 1.34 0.00 0.00 72.50 71.74 1t60 s THR 14 CO 0.00 0.00 1.93 0.35 -0.54 0.00 0.00 174.62 176.36 1t60 n THR 15 N -0.54 0.12 -3.77 3.99 -2.24 -1.26 -1.86 114.28 108.71 1t60 n THR 15 Ca 0.02 0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.53 1t60 n THR 15 Cb 0.62 -0.58 -0.04 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 -2.60 6.41 0.32 3.42 1.01 -1.26 -4.83 116.67 119.15 1t60 s ASP 16 Ca 0.25 0.41 -0.29 0.00 0.71 0.00 0.00 52.55 53.64 1t60 s ASP 16 Cb 0.18 -2.02 -0.10 0.00 1.01 0.00 0.00 42.92 41.99 1t60 s ASP 16 CO 0.42 0.06 1.26 -1.81 0.21 0.00 0.00 175.17 175.31 1t60 s ASP 17 N -2.71 6.88 0.56 0.27 1.01 -1.26 -4.51 116.67 116.92 1t60 s ASP 17 Ca 0.38 2.59 -0.11 0.00 0.71 0.00 0.00 52.55 56.12 1t60 s ASP 17 Cb -0.12 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.12 1t60 s ASP 17 CO 0.27 -0.45 0.97 -2.16 0.21 0.00 0.00 175.17 174.01 1t60 s PRO 18 N -1.70 3.68 0.10 8.23 0.04 -1.26 -4.99 135.00 139.10 1t60 s PRO 18 Ca 0.48 0.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.14 1t60 s PRO 18 Cb -0.38 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1t60 s PRO 18 CO 0.50 -0.41 0.38 -0.65 0.04 0.00 0.00 177.00 176.86 1t60 s GLN 19 N -4.78 3.68 0.19 4.56 -0.21 -1.26 -4.71 119.66 117.13 1t60 s GLN 19 Ca 0.55 0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.67 1t60 s GLN 19 Cb -0.11 -2.93 -0.08 0.00 1.00 0.00 0.00 33.01 30.90 1t60 s GLN 19 CO 0.46 0.52 1.19 0.00 -2.12 0.00 0.00 175.29 175.34 1t60 s PRO 21 N -0.28 2.57 0.29 0.00 0.04 -1.26 -4.87 135.00 131.49 1t60 s PRO 21 Ca 0.52 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 1t60 s PRO 21 Cb -0.32 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 1t60 s PRO 21 CO 0.37 -1.58 1.23 -0.35 0.04 0.00 0.00 177.00 176.71 1t60 n PRO 22 N -1.89 1.80 -0.01 0.56 -0.04 -1.26 -1.97 135.00 132.19 1t60 n PRO 22 Ca 0.16 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1t60 n PRO 22 Cb 0.48 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1t60 n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t60 n GLY 23 N 1.37 0.18 3.22 0.55 0.00 -1.26 -5.04 105.19 104.20 1t60 n GLY 23 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.03 1.27 0.02 2.61 -4.23 -0.83 -4.24 115.64 108.21 1t60 s THR 24 Ca 0.00 -1.55 0.09 0.00 -1.18 0.00 0.00 61.69 59.04 1t60 s THR 24 Cb 0.00 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.45 1t60 s THR 24 CO 0.00 -0.32 -0.25 -1.59 -0.54 0.00 0.00 174.62 171.91 1t60 s LYS 25 N -2.28 1.84 0.32 3.99 -2.85 -0.60 -4.71 119.74 115.45 1t60 s LYS 25 Ca 0.05 -1.02 -0.29 0.00 -1.00 0.00 0.00 55.97 53.70 1t60 s LYS 25 Cb -0.07 -1.93 -0.11 0.00 -2.06 0.00 0.00 37.83 33.66 1t60 s LYS 25 CO 0.03 0.51 1.47 -1.50 0.10 0.00 0.00 175.35 175.96 1t60 s ILE 26 N -0.73 2.32 -0.10 3.79 1.10 -1.26 -0.10 121.20 126.22 1t60 s ILE 26 Ca 0.11 0.29 0.01 0.00 -0.51 0.00 0.00 60.65 60.55 1t60 s ILE 26 Cb -0.10 -3.19 -0.07 0.00 0.15 0.00 0.00 42.46 39.26 1t60 s ILE 26 CO 0.01 0.06 -0.09 0.18 -2.11 0.00 0.00 174.94 172.99 1t60 n LEU 27 N 1.42 2.93 -3.61 8.50 4.77 -0.09 -4.86 117.00 126.07 1t60 n LEU 27 Ca 0.04 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1t60 n LEU 27 Cb 0.39 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1t60 n LEU 27 CO 0.62 0.66 1.03 -0.72 -1.33 0.00 0.00 177.39 177.65 1t60 s TYR 28 N -2.21 -0.09 0.36 -1.77 -0.85 -1.20 -5.03 117.35 106.57 1t60 s TYR 28 Ca -0.14 0.03 0.09 0.00 -0.52 0.00 0.00 57.07 56.52 1t60 s TYR 28 Cb 0.04 0.53 -0.06 0.00 0.38 0.00 0.00 41.96 42.84 1t60 s TYR 28 CO 0.24 -0.23 0.01 -1.01 -1.52 0.00 0.00 175.55 173.04 1t60 s HIS 29 N -2.41 2.52 0.00 -3.49 3.76 -1.26 -1.05 115.29 113.36 1t60 s HIS 29 Ca 0.11 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1t60 s HIS 29 Cb 0.01 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1t60 s HIS 29 CO -0.04 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 1t60 n GLY 30 N -0.96 1.65 3.62 -2.22 0.00 -0.63 -4.49 105.19 102.16 1t60 n GLY 30 Ca -0.04 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.14 2.96 -0.63 1.61 1.51 0.15 -1.21 117.35 119.60 1t60 s TYR 31 Ca 0.00 0.02 -0.27 0.00 -1.01 0.00 0.00 57.07 55.81 1t60 s TYR 31 Cb 0.00 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1t60 s TYR 31 CO 0.00 0.39 1.47 -1.12 -1.11 0.00 0.00 175.55 175.19 1t60 s SER 32 N -1.26 5.94 -0.24 2.29 0.01 -0.34 -1.86 113.70 118.24 1t60 s SER 32 Ca 0.16 0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.31 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 0.06 -1.90 0.51 -0.22 0.41 0.00 0.00 173.24 172.10 1t60 s LEU 33 N 6.64 4.09 -0.15 2.44 2.96 -0.33 -1.40 118.68 132.93 1t60 s LEU 33 Ca 0.50 0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 54.87 1t60 s LEU 33 Cb -0.10 -2.67 -0.09 0.00 0.50 0.00 0.00 46.19 43.82 1t60 s LEU 33 CO 0.21 -0.24 0.08 0.25 -1.32 0.00 0.00 176.35 175.33 1t60 h LEU 34 N 8.44 0.00 -7.73 -0.68 5.85 -1.19 -3.42 115.31 116.59 1t60 h LEU 34 Ca -0.31 -0.25 0.17 0.00 0.84 0.00 0.00 57.88 58.33 1t60 h LEU 34 Cb 1.15 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 1t60 h LEU 34 CO 0.72 0.89 0.50 -0.72 -0.34 0.00 0.00 178.44 179.49 1t60 s TYR 35 N -2.09 -0.08 0.26 1.25 1.13 -1.10 -2.17 117.35 114.55 1t60 s TYR 35 Ca -0.15 -0.26 0.05 0.00 -1.41 0.00 0.00 57.07 55.30 1t60 s TYR 35 Cb 0.02 0.66 -0.05 0.00 -1.10 0.00 0.00 41.96 41.48 1t60 s TYR 35 CO 0.31 -0.87 -0.03 0.14 -2.51 0.00 0.00 175.55 172.59 1t60 s VAL 36 N -3.02 1.33 -0.15 -3.49 -7.23 -0.32 -0.32 120.40 107.20 1t60 s VAL 36 Ca 0.14 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 58.20 1t60 s VAL 36 Cb -0.02 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.57 1t60 s VAL 36 CO 0.03 -0.31 0.07 -1.58 -0.31 0.00 0.00 175.10 173.00 1t60 s GLN 37 N -3.80 0.19 -0.07 4.82 0.74 -0.18 -0.63 119.66 120.73 1t60 s GLN 37 Ca 0.29 -0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.67 1t60 s GLN 37 Cb 0.05 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.53 1t60 s GLN 37 CO 0.10 -0.59 -0.20 0.20 -0.55 0.00 0.00 175.29 174.26 1t60 s GLY 38 N 2.08 1.10 -1.55 2.59 0.00 -0.60 -1.13 107.32 109.81 1t60 s GLY 38 Ca 0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 44.72 43.83 1t60 s GLY 38 CO -0.08 -0.25 0.96 -2.01 0.00 0.00 0.00 173.10 171.73 1t60 n ASN 39 N 3.46 -4.73 -0.44 1.64 4.05 -1.26 -1.46 115.26 116.52 1t60 n ASN 39 Ca -0.20 -0.78 -0.06 0.00 0.45 0.00 0.00 54.58 53.99 1t60 n ASN 39 Cb 0.52 -3.78 -0.02 0.00 1.23 0.00 0.00 39.78 37.73 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 -4.64 -0.81 -4.61 1.20 1.02 -1.26 -5.01 120.64 106.53 1t60 n GLU 40 Ca 0.05 0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 57.45 1t60 n GLU 40 Cb 0.52 -4.42 -0.16 0.00 -0.02 0.00 0.00 31.44 27.36 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 -2.04 3.07 0.36 3.49 3.52 -0.54 -5.03 118.95 121.79 1t60 s ARG 41 Ca 0.00 -0.83 -0.23 0.00 -0.13 0.00 0.00 55.73 54.54 1t60 s ARG 41 Cb 0.00 -2.49 -0.10 0.00 -1.56 0.00 0.00 34.95 30.80 1t60 s ARG 41 CO 0.00 -0.02 0.92 0.00 -0.81 0.00 0.00 175.30 175.39 1t60 s ALA 42 N 0.84 3.15 -0.18 6.12 0.00 -1.26 -1.56 121.76 128.87 1t60 s ALA 42 Ca -0.06 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 1t60 s ALA 42 Cb -0.15 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 19.93 1t60 s ALA 42 CO -0.02 0.17 0.23 -1.58 0.00 0.00 0.00 175.76 174.57 1t60 s HIS 43 N -1.88 -0.33 0.41 0.00 2.46 0.19 -4.95 115.29 111.20 1t60 s HIS 43 Ca 0.55 0.42 0.07 0.00 0.47 0.00 0.00 55.06 56.57 1t60 s HIS 43 Cb -0.14 -0.27 0.01 0.00 -0.13 0.00 0.00 32.58 32.05 1t60 s HIS 43 CO 0.19 -0.54 0.57 0.20 -2.47 0.00 0.00 174.74 172.68 1t60 s GLY 44 N 2.35 1.87 -0.18 1.59 0.00 -1.26 -1.18 107.32 110.52 1t60 s GLY 44 Ca 0.06 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.19 1t60 s GLY 44 CO -0.11 -1.43 -0.13 1.20 0.00 0.00 0.00 173.10 172.62 1t60 s GLN 45 N -4.35 2.31 -0.02 2.90 -1.52 -0.92 -4.97 119.66 113.10 1t60 s GLN 45 Ca 0.53 -0.79 -0.37 0.00 -1.95 0.00 0.00 55.36 52.79 1t60 s GLN 45 Cb -0.10 -2.39 -0.15 0.00 -0.22 0.00 0.00 33.01 30.15 1t60 s GLN 45 CO 0.33 -0.34 1.57 -3.47 -0.25 0.00 0.00 175.29 173.13 1t60 n ASP 46 N 4.68 2.40 0.23 5.90 2.03 -1.26 -4.65 116.55 125.88 1t60 n ASP 46 Ca -0.17 1.08 0.16 0.00 0.52 0.00 0.00 54.79 56.38 1t60 n ASP 46 Cb 0.48 -1.25 0.84 0.00 -0.72 0.00 0.00 41.12 40.47 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 6.20 0.00 -0.60 -2.67 3.38 -1.90 -0.43 115.31 119.29 1t60 h LEU 47 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1t60 h LEU 47 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1t60 h LEU 47 CO 0.87 0.00 -0.18 0.61 0.09 0.00 0.00 178.44 179.84 1t60 n GLY 48 N -1.20 -0.47 3.83 0.83 0.00 -1.26 -4.46 105.19 102.45 1t60 n GLY 48 Ca -0.02 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.36 4.51 0.49 2.61 -4.23 -0.17 -3.14 115.64 113.34 1t60 s THR 49 Ca 0.28 -1.29 0.30 0.00 -1.18 0.00 0.00 61.69 59.80 1t60 s THR 49 Cb 0.20 -3.41 0.33 0.00 1.34 0.00 0.00 72.50 70.96 1t60 s THR 49 CO 0.47 -0.29 2.16 0.00 -0.54 0.00 0.00 174.62 176.41 1t60 h ALA 50 N 1.70 1.34 0.00 3.99 0.00 -1.89 -2.42 119.26 121.97 1t60 h ALA 50 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1t60 h ALA 50 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1t60 h ALA 50 CO 0.61 0.08 0.00 0.78 0.00 0.00 0.00 179.25 180.73 1t60 h GLY 51 N 0.53 0.00 -1.65 0.00 0.00 -1.95 -0.37 103.07 99.62 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 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 1t60 n SER 52 N -2.46 2.40 -3.74 0.19 3.41 -0.91 -4.66 113.62 107.85 1t60 n SER 52 Ca -0.01 -2.00 -0.30 0.00 -0.26 0.00 0.00 58.87 56.30 1t60 n SER 52 Cb 0.10 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.61 1t60 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 54 N 1.20 4.36 0.42 0.00 1.43 -0.78 -4.80 118.68 120.51 1t60 s LEU 54 Ca 0.12 0.67 0.13 0.00 -1.03 0.00 0.00 54.13 54.02 1t60 s LEU 54 Cb -0.20 -2.39 0.89 0.00 0.03 0.00 0.00 46.19 44.53 1t60 s LEU 54 CO -0.16 0.25 1.94 0.03 0.23 0.00 0.00 176.35 178.64 1t60 h ARG 55 N 5.57 0.07 -6.10 1.70 3.08 -1.88 0.43 114.38 117.25 1t60 h ARG 55 Ca -0.48 -0.02 -0.66 0.00 0.07 0.00 0.00 59.98 58.90 1t60 h ARG 55 Cb 1.20 -0.01 -0.31 0.00 0.08 0.00 0.00 29.97 30.93 1t60 h ARG 55 CO 0.66 0.27 -0.87 0.15 -1.07 0.00 0.00 179.97 179.11 1t60 s LYS 56 N -4.60 2.11 0.16 0.04 1.02 -1.26 -4.72 119.74 112.48 1t60 s LYS 56 Ca -0.04 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.06 1t60 s LYS 56 Cb 0.15 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.49 1t60 s LYS 56 CO 0.71 0.43 0.40 0.12 -0.92 0.00 0.00 175.35 176.10 1t60 s PHE 57 N -0.35 3.47 -0.23 3.18 5.36 -1.26 -4.90 117.98 123.25 1t60 s PHE 57 Ca 0.03 0.60 -0.27 0.00 -0.96 0.00 0.00 56.93 56.33 1t60 s PHE 57 Cb -0.11 -2.04 0.11 0.00 -0.34 0.00 0.00 43.02 40.64 1t60 s PHE 57 CO 0.01 0.41 0.92 0.45 -1.46 0.00 0.00 175.22 175.55 1t60 s SER 58 N -2.43 -0.51 0.30 6.13 0.15 -1.26 -5.00 113.70 111.07 1t60 s SER 58 Ca 0.42 0.86 0.26 0.00 0.70 0.00 0.00 55.95 58.18 1t60 s SER 58 Cb -0.12 0.83 1.00 0.00 -1.71 0.00 0.00 66.02 66.02 1t60 s SER 58 CO 0.24 -0.26 1.76 0.71 1.20 0.00 0.00 173.24 176.89 1t60 h THR 59 N 3.38 0.00 -1.87 6.45 1.35 -1.95 -3.33 112.91 116.94 1t60 h THR 59 Ca -0.26 -0.34 -0.46 0.00 -0.55 0.00 0.00 66.41 64.81 1t60 h THR 59 Cb 1.17 1.16 -0.31 0.00 -1.73 0.00 0.00 68.15 68.43 1t60 h THR 59 CO 0.17 0.00 -0.84 0.80 -0.25 0.00 0.00 175.52 175.40 1t60 n MET 60 N -2.40 0.35 0.00 4.72 0.00 -1.26 -4.05 117.12 114.48 1t60 n MET 60 Ca 0.02 -2.82 0.01 0.00 -0.00 0.00 0.00 57.70 54.91 1t60 n MET 60 Cb 0.28 -1.56 0.04 0.00 0.00 0.00 0.00 33.22 31.98 1t60 n MET 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1t60 n PRO 61 N 2.67 0.87 -4.08 2.12 -0.04 -1.25 -4.85 135.00 130.44 1t60 n PRO 61 Ca 0.25 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1t60 n PRO 61 Cb 0.51 -1.03 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 1t60 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 62 N -2.00 0.71 0.26 0.54 -0.71 -1.26 -5.09 117.98 110.43 1t60 s PHE 62 Ca 0.02 -1.05 0.02 0.00 -1.04 0.00 0.00 56.93 54.88 1t60 s PHE 62 Cb 0.01 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 1t60 s PHE 62 CO 0.02 -0.65 0.13 -0.48 -1.34 0.00 0.00 175.22 172.90 1t60 s LEU 63 N -3.04 1.55 0.11 -1.99 0.05 -1.26 -4.56 118.68 109.54 1t60 s LEU 63 Ca 0.24 -1.45 0.06 0.00 0.05 0.00 0.00 54.13 53.03 1t60 s LEU 63 Cb 0.05 0.17 -0.04 0.00 -2.05 0.00 0.00 46.19 44.33 1t60 s LEU 63 CO 0.04 -0.81 -0.15 0.72 -0.55 0.00 0.00 176.35 175.59 1t60 s PHE 64 N -3.78 1.40 0.03 3.48 -0.12 -0.87 -4.99 117.98 113.12 1t60 s PHE 64 Ca 0.37 -0.53 0.06 0.00 -0.05 0.00 0.00 56.93 56.78 1t60 s PHE 64 Cb 0.07 -0.74 -0.02 0.00 -0.63 0.00 0.00 43.02 41.69 1t60 s PHE 64 CO 0.15 0.13 -0.16 0.00 -0.05 0.00 0.00 175.22 175.29 1t60 s ASN 66 N -1.04 4.80 0.07 0.00 2.20 -0.08 -4.98 114.94 115.91 1t60 s ASN 66 Ca 0.04 -1.04 0.11 0.00 -0.94 0.00 0.00 52.86 51.03 1t60 s ASN 66 Cb -0.08 0.05 0.49 0.00 -2.00 0.00 0.00 41.25 39.72 1t60 s ASN 66 CO 0.01 -0.96 1.34 2.30 -2.94 0.00 0.00 177.10 176.85 1t60 n ILE 67 N -1.72 1.36 1.04 0.54 -5.35 -1.26 -0.93 119.36 113.04 1t60 n ILE 67 Ca 0.02 0.40 0.09 0.00 -0.27 0.00 0.00 62.75 62.98 1t60 n ILE 67 Cb 0.63 -1.29 0.29 0.00 -1.74 0.00 0.00 39.64 37.53 1t60 n ILE 67 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1t60 n ASN 68 N -1.67 1.85 -2.39 7.28 3.02 -1.26 -4.90 115.26 117.18 1t60 n ASN 68 Ca 0.01 -1.83 -0.18 0.00 -0.03 0.00 0.00 54.58 52.56 1t60 n ASN 68 Cb 0.10 -0.16 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1t60 n ASN 68 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t60 n ASN 69 N 0.46 -5.17 -4.36 6.41 2.85 -0.11 -5.01 115.26 110.33 1t60 n ASN 69 Ca 0.15 -0.21 -0.32 0.00 -0.11 0.00 0.00 54.58 54.08 1t60 n ASN 69 Cb 0.33 -4.03 -0.15 0.00 1.24 0.00 0.00 39.78 37.17 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1t60 s VAL 70 N -3.03 2.68 0.05 3.44 1.01 -1.25 -4.94 120.40 118.36 1t60 s VAL 70 Ca 0.22 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1t60 s VAL 70 Cb -0.10 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1t60 s VAL 70 CO 0.27 0.56 -0.23 0.00 0.00 0.00 0.00 175.10 175.71 1t60 s ASN 72 N -1.40 2.96 -0.16 0.00 0.01 0.32 -4.98 114.94 111.69 1t60 s ASN 72 Ca 0.13 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.79 1t60 s ASN 72 Cb -0.10 -1.06 0.02 0.00 0.41 0.00 0.00 41.25 40.51 1t60 s ASN 72 CO 0.04 0.20 -0.21 0.12 -1.51 0.00 0.00 177.10 175.74 1t60 s PHE 73 N 0.09 2.70 -1.10 2.20 5.36 -1.26 -2.05 117.98 123.91 1t60 s PHE 73 Ca -0.10 -1.49 0.00 0.00 -0.96 0.00 0.00 56.93 54.38 1t60 s PHE 73 Cb -0.15 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1t60 s PHE 73 CO 0.06 -0.71 0.00 0.00 -1.46 0.00 0.00 175.22 173.11 1t60 n ALA 74 N 4.36 -0.16 0.06 11.12 0.00 -1.26 -4.83 120.51 129.80 1t60 n ALA 74 Ca -0.20 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1t60 n ALA 74 Cb 0.51 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1t60 n ALA 74 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1t60 h SER 75 N 0.00 0.00 0.00 0.00 0.02 -1.91 -3.42 113.55 108.24 1t60 h SER 75 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1t60 h SER 75 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1t60 h SER 75 CO 0.31 0.62 0.00 -1.14 -1.14 0.00 0.00 176.83 175.49 1t60 n ARG 76 N -3.02 3.35 -3.18 3.45 0.63 -1.26 -5.05 116.66 111.57 1t60 n ARG 76 Ca -0.07 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.61 1t60 n ARG 76 Cb 0.84 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.69 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 3.05 -4.96 6.15 3.02 -1.26 -4.81 115.26 116.45 1t60 n ASN 77 Ca 0.00 -3.35 -0.19 0.00 -0.03 0.00 0.00 54.58 51.01 1t60 n ASN 77 Cb 0.00 -0.62 -0.01 0.00 -0.61 0.00 0.00 39.78 38.54 1t60 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1t60 s ASP 78 N -2.63 5.56 0.18 6.41 -0.00 -1.26 -4.86 116.67 120.07 1t60 s ASP 78 Ca 0.42 -0.45 0.03 0.00 -0.00 0.00 0.00 52.55 52.55 1t60 s ASP 78 Cb 0.23 -0.79 -0.05 0.00 -0.00 0.00 0.00 42.92 42.31 1t60 s ASP 78 CO -0.08 -0.63 -0.02 -0.31 -0.00 0.00 0.00 175.17 174.13 1t60 s TYR 79 N -2.34 1.29 -0.00 4.23 1.51 -0.28 -2.43 117.35 119.33 1t60 s TYR 79 Ca 0.50 -0.95 -0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1t60 s TYR 79 Cb -0.08 -0.73 -0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1t60 s TYR 79 CO 0.31 -0.12 0.03 -1.54 -1.11 0.00 0.00 175.55 173.12 1t60 s SER 80 N -3.20 0.06 -0.05 2.29 1.04 -0.64 -1.01 113.70 112.18 1t60 s SER 80 Ca 0.23 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.55 1t60 s SER 80 Cb 0.05 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1t60 s SER 80 CO 0.04 -0.15 -0.14 -0.31 0.98 0.00 0.00 173.24 173.66 1t60 s TYR 81 N -0.65 1.49 0.05 5.02 2.02 0.56 -0.50 117.35 125.34 1t60 s TYR 81 Ca -0.07 -0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 1t60 s TYR 81 Cb -0.04 -1.06 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1t60 s TYR 81 CO -0.00 -0.22 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.01 1t60 s TRP 82 N 0.38 1.46 0.45 2.71 0.52 -0.93 -0.65 118.94 122.88 1t60 s TRP 82 Ca -0.10 -0.37 -0.25 0.00 0.02 0.00 0.00 56.10 55.40 1t60 s TRP 82 Cb -0.13 -0.86 -0.08 0.00 -1.15 0.00 0.00 33.47 31.24 1t60 s TRP 82 CO 0.03 0.07 1.39 -0.51 0.02 0.00 0.00 176.95 177.95 1t60 s LEU 83 N -1.23 4.11 0.52 2.99 1.43 -0.50 -0.72 118.68 125.28 1t60 s LEU 83 Ca 0.04 2.85 0.05 0.00 -1.03 0.00 0.00 54.13 56.03 1t60 s LEU 83 Cb -0.08 -3.96 0.02 0.00 0.03 0.00 0.00 46.19 42.19 1t60 s LEU 83 CO 0.02 -1.14 0.29 -0.94 0.23 0.00 0.00 176.35 174.80 1t60 s SER 84 N -0.60 4.50 0.46 2.29 1.04 -0.20 -1.18 113.70 120.00 1t60 s SER 84 Ca 0.61 -1.33 0.05 0.00 0.48 0.00 0.00 55.95 55.77 1t60 s SER 84 Cb -0.42 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.10 1t60 s SER 84 CO 0.54 -0.99 0.42 0.35 0.98 0.00 0.00 173.24 174.53 1t60 n THR 85 N -1.60 0.00 0.96 2.02 -2.24 -0.58 -4.51 114.28 108.33 1t60 n THR 85 Ca -0.06 -1.74 0.10 0.00 -2.27 0.00 0.00 64.05 60.09 1t60 n THR 85 Cb 0.65 -0.23 0.51 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.68 0.28 -1.68 -0.78 -0.02 -1.26 -4.87 135.00 125.00 1t60 n PRO 86 Ca 0.02 0.09 -0.55 0.00 -2.02 0.00 0.00 63.50 61.05 1t60 n PRO 86 Cb 0.51 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.29 1.28 -2.40 -0.52 4.07 -1.26 -4.93 120.64 115.59 1t60 n GLU 87 Ca 0.10 0.47 -0.36 0.00 -0.06 0.00 0.00 57.16 57.30 1t60 n GLU 87 Cb 0.16 -2.16 -0.02 0.00 -0.06 0.00 0.00 31.44 29.36 1t60 n GLU 87 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1t60 s PRO 88 N 2.81 3.80 0.79 5.31 0.02 -1.26 -4.98 135.00 141.49 1t60 s PRO 88 Ca 0.94 1.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.44 1t60 s PRO 88 Cb -1.00 -2.30 0.07 0.00 0.02 0.00 0.00 34.50 31.30 1t60 s PRO 88 CO 0.59 -0.48 1.11 -1.64 -0.33 0.00 0.00 177.00 176.25 1t60 s MET 89 N -2.88 2.04 0.60 5.54 -1.94 -1.26 -4.99 119.30 116.41 1t60 s MET 89 Ca 0.65 1.28 -0.16 0.00 -1.71 0.00 0.00 55.69 55.75 1t60 s MET 89 Cb -0.23 -1.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 1t60 s MET 89 CO 0.28 -1.82 1.09 -2.14 -0.01 0.00 0.00 175.02 172.42 1t60 s PRO 90 N -4.76 3.17 0.22 2.03 0.02 -1.26 -4.94 135.00 129.48 1t60 s PRO 90 Ca 0.63 1.36 -0.12 0.00 0.02 0.00 0.00 61.00 62.89 1t60 s PRO 90 Cb -0.19 -2.00 0.29 0.00 0.02 0.00 0.00 34.50 32.62 1t60 s PRO 90 CO 0.55 -0.95 1.63 1.98 -0.33 0.00 0.00 177.00 179.88 1t60 h MET 91 N 0.51 0.03 -0.26 5.54 1.85 -1.97 -0.69 114.93 119.94 1t60 h MET 91 Ca -0.48 -0.00 0.07 0.00 -0.61 0.00 0.00 59.70 58.68 1t60 h MET 91 Cb 1.24 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.25 1t60 h MET 91 CO 0.56 0.02 0.18 0.66 -0.40 0.00 0.00 176.91 177.94 1t60 h SER 92 N 0.04 0.04 0.00 1.39 4.64 -2.03 -3.45 113.55 114.17 1t60 h SER 92 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1t60 h SER 92 Cb 0.53 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1t60 h SER 92 CO -0.64 0.03 0.00 0.23 -0.87 0.00 0.00 176.83 175.57 1t60 n MET 93 N -4.47 -0.51 -2.14 4.77 0.00 -0.27 -5.01 117.12 109.49 1t60 n MET 93 Ca 0.03 0.13 -0.29 0.00 0.00 0.00 0.00 57.70 57.56 1t60 n MET 93 Cb 0.31 -3.51 0.02 0.00 0.00 0.00 0.00 33.22 30.04 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 -1.84 3.16 0.43 3.04 0.00 -1.26 -5.00 121.76 120.29 1t60 s ALA 94 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.36 1t60 s ALA 94 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 1t60 s ALA 94 CO 0.00 -0.75 1.03 -2.30 0.00 0.00 0.00 175.76 173.75 1t60 n PRO 95 N -2.67 1.38 -3.49 0.00 -0.02 -1.26 -4.82 135.00 124.12 1t60 n PRO 95 Ca 0.05 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 1t60 n PRO 95 Cb 0.56 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 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 -1.28 5.13 0.23 4.25 1.01 0.13 -4.87 121.20 125.81 1t60 s ILE 96 Ca 0.64 0.78 0.02 0.00 0.00 0.00 0.00 60.65 62.09 1t60 s ILE 96 Cb -0.54 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1t60 s ILE 96 CO 0.56 0.50 0.04 0.42 0.00 0.00 0.00 174.94 176.46 1t60 s THR 97 N -0.49 0.78 0.00 2.92 -4.23 -1.26 -0.66 115.64 112.69 1t60 s THR 97 Ca 0.23 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1t60 s THR 97 Cb -0.16 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1t60 s THR 97 CO 0.11 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1t60 n GLY 98 N -0.41 2.29 0.28 3.99 0.00 -1.25 -1.95 105.19 108.13 1t60 n GLY 98 Ca -0.03 -0.17 0.15 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 -2.29 114.58 116.31 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 0.07 0.00 0.09 -1.16 0.00 0.00 179.01 178.01 1t60 n ASN 100 N -3.59 0.38 0.08 1.42 3.02 -0.82 -2.17 115.26 113.57 1t60 n ASN 100 Ca -0.02 0.63 -0.08 0.00 -0.03 0.00 0.00 54.58 55.08 1t60 n ASN 100 Cb 0.18 -0.69 0.04 0.00 -0.61 0.00 0.00 39.78 38.69 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 1.44 -0.92 2.41 2.04 -1.44 -3.37 117.51 117.68 1t60 h ILE 101 Ca 0.00 -2.35 0.17 0.00 1.00 0.00 0.00 64.86 63.68 1t60 h ILE 101 Cb 0.17 2.27 -0.17 0.00 -0.74 0.00 0.00 36.82 38.36 1t60 h ILE 101 CO 0.00 0.69 -0.28 -0.09 0.00 0.00 0.00 178.15 178.47 1t60 h ARG 102 N 0.15 -0.01 0.00 2.37 9.65 -1.63 -0.61 114.38 124.29 1t60 h ARG 102 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1t60 h ARG 102 Cb 1.35 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 1t60 h ARG 102 CO 0.12 -0.01 0.08 -1.35 2.80 0.00 0.00 179.97 181.62 1t60 h PRO 103 N -0.01 0.00 0.00 0.20 0.11 -1.81 -2.62 132.00 127.87 1t60 h PRO 103 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1t60 h PRO 103 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1t60 h PRO 103 CO -0.94 0.00 -1.15 1.19 -0.21 0.00 0.00 178.00 176.89 1t60 n PHE 104 N -2.37 0.16 -3.24 0.65 3.01 -0.24 -4.56 117.46 110.87 1t60 n PHE 104 Ca -0.02 0.05 -0.39 0.00 1.01 0.00 0.00 57.45 58.10 1t60 n PHE 104 Cb 0.12 -0.35 -0.06 0.00 -0.01 0.00 0.00 39.48 39.18 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 -3.20 5.13 0.52 4.37 -1.09 -0.99 -1.52 121.20 124.41 1t60 s ILE 105 Ca 0.03 1.02 -0.21 0.00 -2.23 0.00 0.00 60.65 59.27 1t60 s ILE 105 Cb 0.15 -3.86 -0.06 0.00 -1.58 0.00 0.00 42.46 37.10 1t60 s ILE 105 CO 0.83 0.24 1.15 -0.55 -1.23 0.00 0.00 174.94 175.38 1t60 s SER 106 N 0.91 5.83 0.24 3.58 0.15 -0.33 -4.44 113.70 119.65 1t60 s SER 106 Ca 0.26 2.25 0.06 0.00 0.70 0.00 0.00 55.95 59.23 1t60 s SER 106 Cb -0.16 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 106 CO 0.11 -1.15 0.26 -0.13 1.20 0.00 0.00 173.24 173.53 1t60 s ARG 107 N -3.07 3.12 0.13 5.44 1.81 -0.78 -1.20 118.95 124.40 1t60 s ARG 107 Ca 0.70 -0.94 -0.04 0.00 -1.72 0.00 0.00 55.73 53.73 1t60 s ARG 107 Cb -0.26 -2.69 -0.03 0.00 -0.45 0.00 0.00 34.95 31.52 1t60 s ARG 107 CO 0.31 0.41 0.11 0.00 -0.68 0.00 0.00 175.30 175.46 1t60 s ALA 109 N -4.00 0.87 -0.26 0.00 0.00 -0.07 -1.60 121.76 116.70 1t60 s ALA 109 Ca 0.19 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 1t60 s ALA 109 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1t60 s ALA 109 CO -0.01 0.19 0.05 0.08 0.00 0.00 0.00 175.76 176.07 1t60 s VAL 110 N -0.12 3.96 0.08 0.00 1.01 -0.21 -1.29 120.40 123.82 1t60 s VAL 110 Ca 0.02 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1t60 s VAL 110 Cb -0.05 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1t60 s VAL 110 CO -0.00 0.24 -0.15 0.00 0.00 0.00 0.00 175.10 175.19 1t60 s GLU 112 N -1.84 3.84 0.08 0.00 2.12 0.86 -0.01 118.70 123.74 1t60 s GLU 112 Ca 0.17 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.25 1t60 s GLU 112 Cb -0.11 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 1t60 s GLU 112 CO 0.09 -0.31 0.17 0.00 -0.54 0.00 0.00 175.26 174.68 1t60 s ALA 113 N 1.90 3.86 -0.59 6.30 0.00 0.46 -1.55 121.76 132.14 1t60 s ALA 113 Ca 0.10 -0.92 0.25 0.00 0.00 0.00 0.00 51.96 51.40 1t60 s ALA 113 Cb -0.16 -1.70 0.87 0.00 0.00 0.00 0.00 23.12 22.13 1t60 s ALA 113 CO 0.11 0.78 1.75 -1.00 0.00 0.00 0.00 175.76 177.40 1t60 h PRO 114 N 3.06 0.00 0.00 0.00 0.13 -1.80 -1.05 132.00 132.34 1t60 h PRO 114 Ca -0.46 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.31 1t60 h PRO 114 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1t60 h PRO 114 CO 0.72 0.00 -0.29 0.00 -0.23 0.00 0.00 178.00 178.20 1t60 n ALA 115 N -1.82 0.17 -1.78 -0.56 0.00 -1.26 -2.44 120.51 112.82 1t60 n ALA 115 Ca 0.04 -1.70 -0.36 0.00 0.00 0.00 0.00 53.44 51.43 1t60 n ALA 115 Cb 0.36 1.37 -0.02 0.00 0.00 0.00 0.00 19.45 21.17 1t60 n ALA 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1t60 s MET 116 N -3.02 3.72 -0.04 0.00 1.75 -1.26 -4.71 119.30 115.75 1t60 s MET 116 Ca 0.33 1.60 0.05 0.00 -1.25 0.00 0.00 55.69 56.42 1t60 s MET 116 Cb 0.00 -2.25 -0.01 0.00 2.84 0.00 0.00 34.83 35.41 1t60 s MET 116 CO 0.23 -0.54 -0.20 0.08 -0.65 0.00 0.00 175.02 173.94 1t60 s VAL 117 N -1.71 1.61 0.29 10.11 1.01 -1.26 -2.45 120.40 127.99 1t60 s VAL 117 Ca 0.66 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1t60 s VAL 117 Cb -0.24 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1t60 s VAL 117 CO 0.28 0.46 0.16 0.00 0.00 0.00 0.00 175.10 176.00 1t60 s MET 118 N -0.18 1.56 0.04 2.72 0.23 0.16 -4.78 119.30 119.04 1t60 s MET 118 Ca 0.00 -1.88 0.07 0.00 -1.03 0.00 0.00 55.69 52.85 1t60 s MET 118 Cb -0.11 -0.04 -0.02 0.00 -1.53 0.00 0.00 34.83 33.13 1t60 s MET 118 CO 0.01 -0.45 -0.19 0.00 -2.03 0.00 0.00 175.02 172.36 1t60 s ALA 119 N -3.65 1.62 0.04 3.16 0.00 -0.47 -0.32 121.76 122.13 1t60 s ALA 119 Ca 0.36 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.38 1t60 s ALA 119 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1t60 s ALA 119 CO 0.17 0.35 -0.17 0.14 0.00 0.00 0.00 175.76 176.26 1t60 s VAL 120 N -0.82 1.33 0.01 0.00 -7.23 -0.51 -4.58 120.40 108.60 1t60 s VAL 120 Ca 0.06 -1.08 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1t60 s VAL 120 Cb -0.09 -1.18 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 1t60 s VAL 120 CO 0.02 0.08 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.64 1t60 s HIS 121 N -0.84 2.19 -0.06 2.82 3.76 -1.26 -1.62 115.29 120.28 1t60 s HIS 121 Ca 0.04 -0.41 0.13 0.00 -0.15 0.00 0.00 55.06 54.67 1t60 s HIS 121 Cb -0.08 -1.37 -0.23 0.00 1.11 0.00 0.00 32.58 32.01 1t60 s HIS 121 CO 0.02 0.03 0.60 -1.13 -0.85 0.00 0.00 174.74 173.40 1t60 n SER 122 N 2.19 0.78 -1.48 1.40 3.41 -0.72 -4.91 113.62 114.28 1t60 n SER 122 Ca -0.16 0.37 -0.14 0.00 -0.26 0.00 0.00 58.87 58.68 1t60 n SER 122 Cb 0.52 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1t60 n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 n GLN 123 N -3.01 -1.09 -4.07 4.33 6.02 -1.26 -4.92 117.38 113.38 1t60 n GLN 123 Ca -0.19 0.76 -0.11 0.00 -0.01 0.00 0.00 57.00 57.46 1t60 n GLN 123 Cb 1.06 -5.00 -0.06 0.00 1.02 0.00 0.00 30.24 27.26 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 -2.66 0.00 -2.00 5.09 -4.23 -1.26 0.57 115.64 111.15 1t60 s THR 124 Ca 0.00 -1.59 0.19 0.00 -1.18 0.00 0.00 61.69 59.11 1t60 s THR 124 Cb 0.00 -2.38 0.53 0.00 1.34 0.00 0.00 72.50 71.99 1t60 s THR 124 CO 0.00 0.00 1.57 2.30 -0.54 0.00 0.00 174.62 177.95 1t60 n ILE 125 N -0.40 0.00 -3.57 2.99 -5.35 -1.26 -2.33 119.36 109.43 1t60 n ILE 125 Ca -0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.15 1t60 n ILE 125 Cb 0.63 -0.48 -0.05 0.00 -1.74 0.00 0.00 39.64 37.99 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 -2.00 3.72 -0.27 6.28 -0.21 -1.26 -4.83 119.66 121.09 1t60 s GLN 126 Ca 0.28 0.10 -0.29 0.00 0.02 0.00 0.00 55.36 55.47 1t60 s GLN 126 Cb 0.13 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 31.28 1t60 s GLN 126 CO 0.21 0.47 1.20 0.42 -2.12 0.00 0.00 175.29 175.47 1t60 s ILE 127 N -1.60 4.34 0.54 1.08 -1.09 -1.26 -4.36 121.20 118.86 1t60 s ILE 127 Ca 0.39 1.57 -0.21 0.00 -2.23 0.00 0.00 60.65 60.17 1t60 s ILE 127 Cb -0.13 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1t60 s ILE 127 CO 0.21 -0.36 1.24 -2.16 -1.23 0.00 0.00 174.94 172.64 1t60 s PRO 128 N 3.75 3.22 0.25 2.79 0.04 -1.26 -5.00 135.00 138.79 1t60 s PRO 128 Ca 0.51 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.43 1t60 s PRO 128 Cb -0.16 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 1t60 s PRO 128 CO 0.17 -1.03 0.52 1.14 0.04 0.00 0.00 177.00 177.83 1t60 s GLN 129 N -3.04 3.67 0.41 4.56 -2.07 -1.26 -4.57 119.66 117.36 1t60 s GLN 129 Ca 0.72 0.05 -0.25 0.00 -1.82 0.00 0.00 55.36 54.06 1t60 s GLN 129 Cb -0.33 -2.69 -0.08 0.00 -1.09 0.00 0.00 33.01 28.82 1t60 s GLN 129 CO 0.38 0.29 1.22 0.00 -1.32 0.00 0.00 175.29 175.85 1t60 n PRO 131 N 0.04 0.57 -1.69 0.00 -0.02 -1.26 -4.75 135.00 127.89 1t60 n PRO 131 Ca 0.04 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 1t60 n PRO 131 Cb 0.45 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1t60 n PRO 131 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1t60 n THR 132 N -1.73 0.26 -0.06 3.45 -1.04 -1.26 -0.99 114.28 112.91 1t60 n THR 132 Ca 0.12 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1t60 n THR 132 Cb 0.48 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 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 4.08 0.70 3.39 3.41 0.00 -1.26 -5.08 105.19 110.44 1t60 n GLY 133 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.08 2.50 0.24 1.61 0.52 -0.16 -4.67 118.94 116.91 1t60 s TRP 134 Ca 0.00 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.83 1t60 s TRP 134 Cb 0.00 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1t60 s TRP 134 CO 0.00 0.09 0.41 0.45 0.02 0.00 0.00 176.95 177.93 1t60 s SER 135 N -0.79 6.34 0.01 2.95 0.15 0.31 -4.72 113.70 117.95 1t60 s SER 135 Ca 0.11 0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.90 1t60 s SER 135 Cb -0.10 -1.97 -0.06 0.00 -1.71 0.00 0.00 66.02 62.18 1t60 s SER 135 CO 0.00 -0.11 0.47 -0.55 1.20 0.00 0.00 173.24 174.25 1t60 s SER 136 N -3.61 6.87 -0.14 5.45 0.15 -1.26 0.37 113.70 121.53 1t60 s SER 136 Ca 0.37 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1t60 s SER 136 Cb -0.10 -2.29 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 1t60 s SER 136 CO 0.31 0.26 -0.13 0.18 1.20 0.00 0.00 173.24 175.06 1t60 n LEU 137 N 2.05 2.75 -3.61 3.45 4.77 0.38 -4.88 117.00 121.92 1t60 n LEU 137 Ca -0.12 -0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 55.79 1t60 n LEU 137 Cb 0.52 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1t60 n LEU 137 CO 0.39 0.68 0.96 -1.66 -1.33 0.00 0.00 177.39 176.43 1t60 s TRP 138 N -2.27 -0.13 0.35 -1.77 -2.14 -1.19 -4.90 118.94 106.90 1t60 s TRP 138 Ca -0.18 0.03 0.09 0.00 2.66 0.00 0.00 56.10 58.69 1t60 s TRP 138 Cb 0.05 0.54 -0.06 0.00 -3.10 0.00 0.00 33.47 30.90 1t60 s TRP 138 CO 0.31 -0.32 -0.01 0.96 -2.66 0.00 0.00 176.95 175.23 1t60 s ILE 139 N -2.58 2.44 0.00 0.66 -4.36 -1.26 -0.10 121.20 116.00 1t60 s ILE 139 Ca 0.11 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1t60 s ILE 139 Cb 0.01 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.93 1t60 s ILE 139 CO -0.04 -0.17 0.00 0.61 0.24 0.00 0.00 174.94 175.58 1t60 n GLY 140 N -0.93 1.43 3.35 6.27 0.00 -0.30 -4.38 105.19 110.63 1t60 n GLY 140 Ca -0.04 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1t60 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 141 N -1.46 2.41 -0.63 1.61 1.51 0.84 -1.46 117.35 120.16 1t60 s TYR 141 Ca 0.00 -0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 1t60 s TYR 141 Cb 0.00 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 1t60 s TYR 141 CO 0.00 0.01 1.93 -1.12 -1.11 0.00 0.00 175.55 175.27 1t60 s SER 142 N -0.65 5.15 -0.34 2.29 0.01 -0.52 -1.78 113.70 117.86 1t60 s SER 142 Ca 0.10 0.29 -0.17 0.00 1.31 0.00 0.00 55.95 57.49 1t60 s SER 142 Cb -0.10 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 1t60 s SER 142 CO -0.01 -2.49 0.43 0.12 0.41 0.00 0.00 173.24 171.71 1t60 s PHE 143 N 9.59 3.20 -0.24 2.43 5.36 0.49 -1.53 117.98 137.27 1t60 s PHE 143 Ca 0.71 0.09 -0.16 0.00 -0.96 0.00 0.00 56.93 56.61 1t60 s PHE 143 Cb -0.12 -2.78 -0.11 0.00 -0.34 0.00 0.00 43.02 39.67 1t60 s PHE 143 CO 0.19 -0.47 -0.29 0.28 -1.46 0.00 0.00 175.22 173.47 1t60 n VAL 144 N 5.32 1.52 -3.68 3.12 0.31 0.42 -4.43 118.33 120.90 1t60 n VAL 144 Ca -0.07 -0.17 -0.07 0.00 -0.01 0.00 0.00 64.34 64.02 1t60 n VAL 144 Cb 0.49 -2.05 0.02 0.00 -0.91 0.00 0.00 33.84 31.39 1t60 n VAL 144 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1t60 n MET 145 N -4.35 0.90 -3.54 5.55 0.00 -1.03 -1.13 117.12 113.52 1t60 n MET 145 Ca -0.39 -1.79 -0.10 0.00 0.00 0.00 0.00 57.70 55.42 1t60 n MET 145 Cb 0.73 2.25 -0.02 0.00 0.00 0.00 0.00 33.22 36.19 1t60 n MET 145 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t60 s HIS 146 N -3.19 -0.41 0.02 3.17 -3.43 -0.72 0.08 115.29 110.81 1t60 s HIS 146 Ca 0.14 0.16 -0.08 0.00 -0.80 0.00 0.00 55.06 54.48 1t60 s HIS 146 Cb -0.04 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1t60 s HIS 146 CO 0.09 -0.85 0.15 0.95 -2.00 0.00 0.00 174.74 173.09 1t60 s THR 147 N -3.61 0.10 0.00 -5.38 -4.23 -0.63 -2.72 115.64 99.16 1t60 s THR 147 Ca 0.04 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1t60 s THR 147 Cb -0.02 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.16 1t60 s THR 147 CO -0.07 -0.45 0.00 -0.24 -0.54 0.00 0.00 174.62 173.32 1t60 n SER 148 N 1.10 0.00 -4.71 3.99 2.88 -0.16 -1.19 113.62 115.54 1t60 n SER 148 Ca -0.21 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.90 1t60 n SER 148 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 1t60 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t60 n ALA 149 N -3.00 1.89 -1.23 -1.46 0.00 -1.26 -1.56 120.51 113.89 1t60 n ALA 149 Ca 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.75 1t60 n ALA 149 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 1t60 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 150 N 2.15 0.84 2.58 0.00 0.00 -1.26 -1.81 105.19 107.69 1t60 n GLY 150 Ca 0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1t60 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 n ALA 151 N 1.15 -0.16 -2.07 4.61 0.00 -0.60 -4.98 120.51 118.46 1t60 n ALA 151 Ca -0.08 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1t60 n ALA 151 Cb 0.48 -1.52 0.01 0.00 0.00 0.00 0.00 19.45 18.41 1t60 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t60 s GLU 152 N -2.74 3.49 0.00 0.00 0.41 -0.75 -4.72 118.70 114.39 1t60 s GLU 152 Ca 0.00 0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 1t60 s GLU 152 Cb 0.00 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 1t60 s GLU 152 CO 0.00 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 174.74 1t60 n GLY 153 N -2.53 -0.97 2.69 -1.39 0.00 -1.26 -0.98 105.19 100.74 1t60 n GLY 153 Ca 0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 0.30 -1.46 -1.90 1.61 3.41 -1.10 -4.74 113.62 109.74 1t60 n SER 154 Ca 0.00 -2.26 -0.07 0.00 -0.26 0.00 0.00 58.87 56.28 1t60 n SER 154 Cb 0.00 2.50 -0.02 0.00 -0.26 0.00 0.00 64.21 66.44 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 -0.41 2.77 3.60 5.00 0.00 -1.26 -1.76 105.19 113.14 1t60 n GLY 155 Ca -0.04 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.38 2.18 -0.15 1.61 -1.52 -0.29 -4.77 119.66 114.34 1t60 s GLN 156 Ca 0.13 -1.26 -0.27 0.00 -1.95 0.00 0.00 55.36 52.02 1t60 s GLN 156 Cb -0.00 -2.21 -0.01 0.00 -0.22 0.00 0.00 33.01 30.57 1t60 s GLN 156 CO 0.10 0.43 0.90 0.00 -0.25 0.00 0.00 175.29 176.46 1t60 s ALA 157 N -1.82 3.49 -0.82 6.09 0.00 -1.26 -4.91 121.76 122.54 1t60 s ALA 157 Ca 0.27 0.15 0.09 0.00 0.00 0.00 0.00 51.96 52.47 1t60 s ALA 157 Cb -0.08 -3.31 0.44 0.00 0.00 0.00 0.00 23.12 20.16 1t60 s ALA 157 CO 0.17 -0.66 1.29 1.28 0.00 0.00 0.00 175.76 177.84 1t60 n LEU 158 N 5.23 0.15 -0.18 0.00 4.77 -1.26 -0.78 117.00 124.93 1t60 n LEU 158 Ca 0.06 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 1t60 n LEU 158 Cb 0.49 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1t60 n LEU 158 CO 0.50 -0.52 0.25 0.00 -1.33 0.00 0.00 177.39 176.28 1t60 n ALA 159 N -1.57 3.96 -2.64 -1.18 0.00 -1.26 -4.66 120.51 113.16 1t60 n ALA 159 Ca 0.01 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 1t60 n ALA 159 Cb 0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1t60 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t60 s SER 160 N -2.78 6.48 0.67 0.00 0.15 0.04 -1.37 113.70 116.88 1t60 s SER 160 Ca 0.14 0.61 0.42 0.00 0.70 0.00 0.00 55.95 57.82 1t60 s SER 160 Cb 0.17 -2.10 2.31 0.00 -1.71 0.00 0.00 66.02 64.69 1t60 s SER 160 CO 0.70 -0.01 2.31 -0.65 1.20 0.00 0.00 173.24 176.80 1t60 h PRO 161 N 2.51 0.00 0.00 5.44 0.11 -1.84 -1.44 132.00 136.78 1t60 h PRO 161 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t60 h PRO 161 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t60 h PRO 161 CO 0.71 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.28 1t60 h GLY 162 N 0.00 0.00 -0.75 -0.55 0.00 -1.85 -0.97 103.07 98.95 1t60 h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 162 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 163 N -2.96 1.66 -3.87 0.19 3.41 -0.54 -4.56 113.62 106.94 1t60 n SER 163 Ca -0.01 -1.66 -0.29 0.00 -0.26 0.00 0.00 58.87 56.65 1t60 n SER 163 Cb 0.19 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.53 4.33 0.25 0.00 1.43 -0.73 -4.70 118.68 118.72 1t60 s LEU 165 Ca 0.20 1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 54.76 1t60 s LEU 165 Cb -0.18 -3.43 0.29 0.00 0.03 0.00 0.00 46.19 42.90 1t60 s LEU 165 CO -0.06 -0.26 1.84 -0.33 0.23 0.00 0.00 176.35 177.77 1t60 h GLU 166 N 6.87 1.07 -5.22 1.70 5.08 -1.88 0.24 114.58 122.44 1t60 h GLU 166 Ca -0.39 -0.17 -0.67 0.00 -1.00 0.00 0.00 59.36 57.14 1t60 h GLU 166 Cb 1.20 -0.19 -0.31 0.00 0.50 0.00 0.00 28.75 29.95 1t60 h GLU 166 CO 0.77 0.85 -0.82 -2.00 -1.00 0.00 0.00 179.01 176.81 1t60 s GLU 167 N -5.55 3.18 0.14 2.33 2.12 -1.26 -4.65 118.70 115.01 1t60 s GLU 167 Ca -0.11 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 1t60 s GLU 167 Cb 0.16 -2.56 -0.07 0.00 0.26 0.00 0.00 34.13 31.93 1t60 s GLU 167 CO 0.82 0.05 1.03 0.12 -0.54 0.00 0.00 175.26 176.74 1t60 s PHE 168 N 0.71 3.70 -0.11 5.30 2.19 -1.26 -4.98 117.98 123.53 1t60 s PHE 168 Ca -0.08 1.69 -0.09 0.00 0.33 0.00 0.00 56.93 58.78 1t60 s PHE 168 Cb -0.16 -3.17 0.03 0.00 -1.31 0.00 0.00 43.02 38.42 1t60 s PHE 168 CO 0.01 -0.22 0.29 1.03 1.83 0.00 0.00 175.22 178.17 1t60 s ARG 169 N -0.16 0.32 0.27 10.12 0.52 -1.26 -5.04 118.95 123.72 1t60 s ARG 169 Ca 0.48 0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 56.13 1t60 s ARG 169 Cb -0.26 0.11 0.36 0.00 0.52 0.00 0.00 34.95 35.68 1t60 s ARG 169 CO 0.32 -0.07 1.79 0.77 0.02 0.00 0.00 175.30 178.13 1t60 h SER 170 N 6.00 0.77 -3.38 0.23 0.02 -1.99 -3.30 113.55 111.90 1t60 h SER 170 Ca -0.29 -0.16 -0.62 0.00 -0.84 0.00 0.00 61.79 59.87 1t60 h SER 170 Cb 1.18 -0.20 -0.41 0.00 0.14 0.00 0.00 62.40 63.11 1t60 h SER 170 CO 0.33 0.80 -0.62 0.00 -1.14 0.00 0.00 176.83 176.20 1t60 s ALA 171 N -5.08 3.46 -1.52 3.77 0.00 -1.26 -4.32 121.76 116.80 1t60 s ALA 171 Ca -0.10 -3.55 0.26 0.00 0.00 0.00 0.00 51.96 48.57 1t60 s ALA 171 Cb 0.15 -2.11 1.36 0.00 0.00 0.00 0.00 23.12 22.52 1t60 s ALA 171 CO 0.81 -2.07 1.89 -0.35 0.00 0.00 0.00 175.76 176.04 1t60 n PRO 172 N 2.37 0.45 -4.09 0.00 -0.04 -1.25 -4.87 135.00 127.58 1t60 n PRO 172 Ca 0.16 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1t60 n PRO 172 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.48 0.63 0.14 0.54 -0.71 -1.26 -1.04 117.98 113.81 1t60 s PHE 173 Ca 0.27 -1.08 0.10 0.00 -1.04 0.00 0.00 56.93 55.18 1t60 s PHE 173 Cb 0.18 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1t60 s PHE 173 CO 0.38 -0.48 -0.21 -1.50 -1.34 0.00 0.00 175.22 172.06 1t60 s ILE 174 N -3.98 2.58 -0.19 -4.49 2.07 0.10 -4.79 121.20 112.50 1t60 s ILE 174 Ca 0.15 -1.71 -0.08 0.00 -1.41 0.00 0.00 60.65 57.60 1t60 s ILE 174 Cb 0.07 -2.19 -0.04 0.00 0.13 0.00 0.00 42.46 40.43 1t60 s ILE 174 CO -0.04 0.03 0.09 -0.70 -1.91 0.00 0.00 174.94 172.42 1t60 s GLU 175 N -2.28 4.05 0.17 3.50 2.12 -0.78 -2.19 118.70 123.29 1t60 s GLU 175 Ca 0.18 -0.30 0.10 0.00 0.36 0.00 0.00 54.97 55.30 1t60 s GLU 175 Cb -0.10 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1t60 s GLU 175 CO 0.09 0.25 -0.21 0.00 -0.54 0.00 0.00 175.26 174.86 1t60 s HIS 177 N -1.84 2.11 0.60 0.00 0.09 0.83 -1.62 115.29 115.46 1t60 s HIS 177 Ca 0.17 -0.40 0.31 0.00 -0.00 0.00 0.00 55.06 55.13 1t60 s HIS 177 Cb -0.07 -0.97 1.85 0.00 -0.00 0.00 0.00 32.58 33.39 1t60 s HIS 177 CO 0.08 0.54 2.24 0.78 -0.00 0.00 0.00 174.74 178.38 1t60 h GLY 178 N 2.69 0.00 2.00 -2.22 0.00 -1.65 0.15 103.07 104.04 1t60 h GLY 178 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1t60 h GLY 178 CO 0.56 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.97 1t60 n ARG 179 N -3.78 0.13 -0.02 4.80 0.63 -1.26 -4.84 116.66 112.31 1t60 n ARG 179 Ca -0.02 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1t60 n ARG 179 Cb 0.11 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.24 1t60 n ARG 179 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t60 n GLY 180 N -0.40 0.99 3.73 5.14 0.00 0.04 -5.08 105.19 109.61 1t60 n GLY 180 Ca 0.01 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 4.38 0.09 2.61 -4.23 -1.24 -3.95 115.64 111.30 1t60 s THR 181 Ca 0.00 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1t60 s THR 181 Cb 0.00 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 1t60 s THR 181 CO 0.00 0.28 -0.08 0.00 -0.54 0.00 0.00 174.62 174.28 1t60 s ASN 183 N -2.62 -0.02 -0.16 0.00 2.47 -0.03 0.21 114.94 114.79 1t60 s ASN 183 Ca 0.06 -0.03 -0.09 0.00 0.42 0.00 0.00 52.86 53.23 1t60 s ASN 183 Cb 0.00 0.04 -0.05 0.00 -1.45 0.00 0.00 41.25 39.79 1t60 s ASN 183 CO -0.02 -0.07 0.13 -0.31 -3.72 0.00 0.00 177.10 173.11 1t60 s TYR 184 N -2.10 3.49 0.02 0.43 1.51 -1.26 -1.86 117.35 117.59 1t60 s TYR 184 Ca 0.14 0.42 0.07 0.00 -1.01 0.00 0.00 57.07 56.69 1t60 s TYR 184 Cb 0.06 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1t60 s TYR 184 CO -0.06 0.49 -0.20 0.71 -1.11 0.00 0.00 175.55 175.38 1t60 s TYR 185 N -0.28 2.50 0.58 2.71 1.51 -1.26 -5.03 117.35 118.08 1t60 s TYR 185 Ca 0.11 -0.30 0.28 0.00 -1.01 0.00 0.00 57.07 56.15 1t60 s TYR 185 Cb -0.11 -1.47 1.63 0.00 -0.11 0.00 0.00 41.96 41.89 1t60 s TYR 185 CO 0.01 0.18 2.11 0.00 -1.11 0.00 0.00 175.55 176.75 1t60 h ALA 186 N 4.80 1.84 -0.00 3.71 0.00 -2.03 -2.65 119.26 124.93 1t60 h ALA 186 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t60 h ALA 186 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1t60 h ALA 186 CO 0.47 -0.26 -0.03 0.27 0.00 0.00 0.00 179.25 179.70 1t60 n ASN 187 N -3.91 0.39 -4.75 0.00 6.94 -1.26 -4.88 115.26 107.79 1t60 n ASN 187 Ca 0.01 -0.88 -0.41 0.00 -0.02 0.00 0.00 54.58 53.28 1t60 n ASN 187 Cb 0.30 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.62 1t60 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t60 s ALA 188 N -2.19 3.39 0.02 -2.53 0.00 -1.00 -4.70 121.76 114.76 1t60 s ALA 188 Ca 0.39 0.84 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1t60 s ALA 188 Cb 0.21 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1t60 s ALA 188 CO 0.40 -0.15 -0.15 0.71 0.00 0.00 0.00 175.76 176.57 1t60 s TYR 189 N -0.78 1.35 -0.12 0.00 1.51 -0.33 -4.99 117.35 113.99 1t60 s TYR 189 Ca 0.46 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.22 1t60 s TYR 189 Cb -0.30 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.71 1t60 s TYR 189 CO 0.38 0.03 -0.19 -1.54 -1.11 0.00 0.00 175.55 173.12 1t60 s SER 190 N -0.88 3.52 -0.16 2.29 1.04 -1.26 -1.61 113.70 116.64 1t60 s SER 190 Ca 0.04 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 1t60 s SER 190 Cb -0.07 -1.51 -0.03 0.00 0.10 0.00 0.00 66.02 64.51 1t60 s SER 190 CO 0.01 0.15 -0.04 -0.36 0.98 0.00 0.00 173.24 173.98 1t60 s PHE 191 N 0.40 3.01 0.13 5.02 0.08 0.11 -4.99 117.98 121.75 1t60 s PHE 191 Ca -0.14 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.65 1t60 s PHE 191 Cb -0.17 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 1t60 s PHE 191 CO 0.07 -0.06 -0.17 -1.58 -0.10 0.00 0.00 175.22 173.38 1t60 s TRP 192 N 0.41 1.60 0.27 0.36 0.52 -1.26 -0.44 118.94 120.40 1t60 s TRP 192 Ca -0.04 -0.49 -0.29 0.00 0.02 0.00 0.00 56.10 55.29 1t60 s TRP 192 Cb -0.14 -0.83 -0.10 0.00 -1.15 0.00 0.00 33.47 31.25 1t60 s TRP 192 CO 0.03 0.21 1.33 -0.51 0.02 0.00 0.00 176.95 178.03 1t60 s LEU 193 N -2.37 4.42 0.50 2.99 1.43 -0.58 -4.88 118.68 120.19 1t60 s LEU 193 Ca 0.10 2.58 -0.04 0.00 -1.03 0.00 0.00 54.13 55.74 1t60 s LEU 193 Cb -0.06 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1t60 s LEU 193 CO 0.04 -0.55 0.77 0.00 0.23 0.00 0.00 176.35 176.85 1t60 s ALA 194 N -0.49 3.48 0.24 4.21 0.00 -1.26 -0.90 121.76 127.05 1t60 s ALA 194 Ca 0.53 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 1t60 s ALA 194 Cb -0.39 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.21 1t60 s ALA 194 CO 0.46 -0.48 0.83 0.95 0.00 0.00 0.00 175.76 177.52 1t60 s THR 195 N -2.74 4.35 -0.01 0.00 -4.23 -0.94 -4.45 115.64 107.61 1t60 s THR 195 Ca 0.49 1.66 0.00 0.00 -1.18 0.00 0.00 61.69 62.66 1t60 s THR 195 Cb -0.10 -4.03 0.02 0.00 1.34 0.00 0.00 72.50 69.72 1t60 s THR 195 CO 0.42 0.31 0.02 -0.63 -0.54 0.00 0.00 174.62 174.20 1t60 s ILE 196 N -1.41 -0.03 0.01 2.99 1.01 0.19 -4.94 121.20 119.01 1t60 s ILE 196 Ca 0.43 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 61.05 1t60 s ILE 196 Cb -0.20 -0.06 -0.06 0.00 0.01 0.00 0.00 42.46 42.16 1t60 s ILE 196 CO 0.24 0.06 0.46 -1.61 0.00 0.00 0.00 174.94 174.09 1t60 s GLU 197 N 0.67 4.05 0.34 2.79 2.02 -1.26 -4.72 118.70 122.59 1t60 s GLU 197 Ca -0.06 0.51 0.14 0.00 0.02 0.00 0.00 54.97 55.58 1t60 s GLU 197 Cb -0.08 -3.25 1.03 0.00 0.10 0.00 0.00 34.13 31.92 1t60 s GLU 197 CO -0.02 0.61 1.70 -0.09 0.02 0.00 0.00 175.26 177.48 1t60 h ARG 198 N 4.90 0.41 0.00 1.61 1.12 -2.01 0.64 114.38 121.05 1t60 h ARG 198 Ca -0.50 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.35 1t60 h ARG 198 Cb 1.21 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.08 1t60 h ARG 198 CO 0.64 0.27 0.00 0.66 -3.11 0.00 0.00 179.97 178.43 1t60 h SER 199 N 0.42 0.00 0.26 -3.80 4.64 -2.04 -2.96 113.55 110.07 1t60 h SER 199 Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1t60 h SER 199 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1t60 h SER 199 CO -0.52 0.00 -0.48 -0.62 -0.87 0.00 0.00 176.83 174.34 1t60 n GLU 200 N -3.05 0.48 -0.16 4.77 -0.58 0.22 -4.49 120.64 117.83 1t60 n GLU 200 Ca 0.01 -0.32 -0.03 0.00 -0.42 0.00 0.00 57.16 56.40 1t60 n GLU 200 Cb 0.33 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.78 -0.01 -1.12 3.49 2.86 -1.30 -2.59 114.93 117.03 1t60 h MET 201 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 1t60 h MET 201 Cb 0.54 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 31.85 1t60 h MET 201 CO 0.00 -0.01 0.21 1.19 1.06 0.00 0.00 176.91 179.36 1t60 n PHE 202 N -5.37 3.07 -4.35 -0.22 3.01 -1.26 -4.94 117.46 107.39 1t60 n PHE 202 Ca 0.05 -2.69 -0.20 0.00 1.01 0.00 0.00 57.45 55.62 1t60 n PHE 202 Cb 0.27 -0.93 -0.10 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 -3.76 1.33 0.20 -1.08 1.02 -0.98 -5.10 119.74 111.38 1t60 s LYS 203 Ca 0.57 -1.54 -0.32 0.00 0.02 0.00 0.00 55.97 54.70 1t60 s LYS 203 Cb 0.46 -1.24 -0.12 0.00 -0.52 0.00 0.00 37.83 36.40 1t60 s LYS 203 CO -0.07 0.23 1.72 1.17 -0.92 0.00 0.00 175.35 177.48 1t60 n LYS 204 N -0.15 2.75 -1.89 1.68 4.81 -1.26 -4.91 118.16 119.17 1t60 n LYS 204 Ca -0.10 0.99 -0.41 0.00 -0.87 0.00 0.00 58.31 57.93 1t60 n LYS 204 Cb 0.59 -2.84 -0.00 0.00 0.02 0.00 0.00 35.03 32.80 1t60 n LYS 204 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1t60 s PRO 205 N 1.22 4.10 -0.43 1.64 0.02 -1.26 -4.94 135.00 135.35 1t60 s PRO 205 Ca 0.76 2.44 -0.21 0.00 0.02 0.00 0.00 61.00 64.00 1t60 s PRO 205 Cb -0.51 -2.94 0.02 0.00 0.02 0.00 0.00 34.50 31.09 1t60 s PRO 205 CO 0.33 -0.49 0.69 0.99 -0.33 0.00 0.00 177.00 178.19 1t60 s THR 206 N -1.15 4.78 0.46 0.99 2.01 -1.26 -5.02 115.64 116.44 1t60 s THR 206 Ca 0.53 0.26 -0.23 0.00 0.31 0.00 0.00 61.69 62.56 1t60 s THR 206 Cb -0.44 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 67.75 1t60 s THR 206 CO 0.59 -0.61 1.04 -2.65 -0.69 0.00 0.00 174.62 172.30 1t60 n PRO 207 N 6.39 1.36 -3.75 4.92 -0.02 -1.26 -5.01 135.00 137.63 1t60 n PRO 207 Ca -0.00 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 1t60 n PRO 207 Cb 0.48 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.80 -0.37 -0.24 2.55 0.15 -1.26 -5.13 113.70 108.60 1t60 s SER 208 Ca 0.65 0.69 0.01 0.00 0.70 0.00 0.00 55.95 58.00 1t60 s SER 208 Cb -0.52 0.72 0.06 0.00 -1.71 0.00 0.00 66.02 64.57 1t60 s SER 208 CO 0.55 -0.16 -0.07 -0.89 1.20 0.00 0.00 173.24 173.87 1t60 s THR 209 N 0.05 1.73 -0.18 6.45 2.01 -1.26 -5.12 115.64 119.32 1t60 s THR 209 Ca -0.01 -1.37 -0.08 0.00 0.31 0.00 0.00 61.69 60.54 1t60 s THR 209 Cb -0.03 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1t60 s THR 209 CO 0.01 -0.09 0.08 -0.76 -0.69 0.00 0.00 174.62 173.17 1t60 s LEU 210 N 1.30 3.97 0.50 4.42 1.43 -1.26 -5.11 118.68 123.92 1t60 s LEU 210 Ca -0.06 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 1t60 s LEU 210 Cb -0.19 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.06 1t60 s LEU 210 CO -0.06 0.21 0.68 -0.54 0.23 0.00 0.00 176.35 176.87 1t60 s LYS 211 N 0.18 2.60 0.25 1.70 1.02 -1.26 -4.83 119.74 119.40 1t60 s LYS 211 Ca 0.06 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.56 1t60 s LYS 211 Cb -0.12 -2.65 -0.14 0.00 -0.52 0.00 0.00 37.83 34.40 1t60 s LYS 211 CO -0.00 -0.55 1.21 0.00 -0.92 0.00 0.00 175.35 175.09 1t60 n ALA 212 N -2.10 0.22 0.00 5.17 0.00 -1.26 -1.69 120.51 120.86 1t60 n ALA 212 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1t60 n ALA 212 Cb 0.60 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 1.68 2.58 0.52 0.00 0.00 -1.26 -4.77 105.19 103.94 1t60 n GLY 213 Ca 0.11 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.86 1t60 n GLY 213 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t60 n GLU 214 N 0.00 1.47 0.12 1.61 -0.58 -0.68 -4.83 120.64 117.74 1t60 n GLU 214 Ca 0.00 -3.11 -0.06 0.00 -0.42 0.00 0.00 57.16 53.58 1t60 n GLU 214 Cb 0.00 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1t60 h LEU 215 N 0.79 -0.31 0.00 -4.62 4.07 -1.85 -3.26 115.31 110.13 1t60 h LEU 215 Ca -0.01 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1t60 h LEU 215 Cb 1.03 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1t60 h LEU 215 CO 0.00 0.04 0.00 0.54 -1.08 0.00 0.00 178.44 177.94 1t60 n ARG 216 N -4.42 0.23 -0.20 1.13 3.00 -1.26 -3.15 116.66 111.98 1t60 n ARG 216 Ca -0.04 0.10 0.14 0.00 -0.01 0.00 0.00 57.85 58.04 1t60 n ARG 216 Cb 0.14 -1.50 0.46 0.00 0.00 0.00 0.00 32.46 31.57 1t60 n ARG 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t60 h THR 217 N 0.00 0.81 -0.19 0.55 1.03 -1.90 -2.03 112.91 111.18 1t60 h THR 217 Ca 0.00 -0.17 -0.02 0.00 -0.01 0.00 0.00 66.41 66.20 1t60 h THR 217 Cb 0.05 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 67.38 1t60 h THR 217 CO 0.00 0.09 -0.03 1.41 -0.01 0.00 0.00 175.52 176.99 1t60 n HIS 218 N -4.50 0.65 -3.90 0.00 8.25 -1.19 -4.88 115.22 109.65 1t60 n HIS 218 Ca 0.15 -1.03 -0.35 0.00 -0.26 0.00 0.00 57.72 56.23 1t60 n HIS 218 Cb 0.51 -0.29 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.91 4.69 0.51 1.59 1.01 -0.77 -2.21 120.40 122.31 1t60 s VAL 219 Ca 0.39 -0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.09 1t60 s VAL 219 Cb 0.33 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 1t60 s VAL 219 CO 0.05 0.40 1.33 -0.55 0.00 0.00 0.00 175.10 176.34 1t60 s SER 220 N 0.87 5.54 0.28 3.32 0.15 -0.07 -4.56 113.70 119.22 1t60 s SER 220 Ca 0.04 2.70 0.06 0.00 0.70 0.00 0.00 55.95 59.45 1t60 s SER 220 Cb -0.14 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 1t60 s SER 220 CO 0.03 -1.38 0.31 -0.13 1.20 0.00 0.00 173.24 173.27 1t60 s ARG 221 N -2.79 3.08 0.19 5.44 1.81 -0.99 -1.44 118.95 124.26 1t60 s ARG 221 Ca 0.68 -1.00 -0.07 0.00 -1.72 0.00 0.00 55.73 53.62 1t60 s ARG 221 Cb -0.39 -2.69 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 1t60 s ARG 221 CO 0.46 0.30 0.27 0.00 -0.68 0.00 0.00 175.30 175.65 1t60 s GLN 223 N -4.03 0.07 -0.23 0.00 0.74 -0.64 -1.15 119.66 114.42 1t60 s GLN 223 Ca 0.24 0.16 -0.13 0.00 0.05 0.00 0.00 55.36 55.68 1t60 s GLN 223 Cb 0.04 -0.04 -0.05 0.00 1.10 0.00 0.00 33.01 34.06 1t60 s GLN 223 CO 0.05 -0.06 0.26 0.08 -0.55 0.00 0.00 175.29 175.07 1t60 s VAL 224 N 0.37 5.29 0.16 1.34 1.01 0.86 -1.42 120.40 128.01 1t60 s VAL 224 Ca -0.03 0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.44 1t60 s VAL 224 Cb -0.04 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1t60 s VAL 224 CO -0.01 0.30 -0.22 0.00 0.00 0.00 0.00 175.10 175.18 1t60 s MET 226 N -2.51 1.09 0.00 0.00 -2.45 0.16 -0.67 119.30 114.92 1t60 s MET 226 Ca 0.15 -0.60 0.12 0.00 -1.25 0.00 0.00 55.69 54.12 1t60 s MET 226 Cb -0.08 -1.07 0.74 0.00 1.25 0.00 0.00 34.83 35.67 1t60 s MET 226 CO 0.07 0.29 1.17 -2.13 1.05 0.00 0.00 175.02 175.46