#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 2.26 -0.12 -1.41 0.00 -1.26 -4.70 107.32 102.09 1t60 s GLY 5 Ca 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 44.72 41.78 1t60 s GLY 5 CO 0.00 1.06 -0.07 -1.36 0.00 0.00 0.00 173.10 172.72 1t60 s PHE 6 N 0.47 2.94 0.00 1.90 0.40 -1.17 -4.99 117.98 117.54 1t60 s PHE 6 Ca 0.13 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.14 1t60 s PHE 6 Cb -0.22 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1t60 s PHE 6 CO -0.04 0.03 0.19 -0.51 0.70 0.00 0.00 175.22 175.60 1t60 s LEU 7 N -0.01 4.37 -0.05 -0.37 1.43 -1.26 0.69 118.68 123.48 1t60 s LEU 7 Ca -0.01 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1t60 s LEU 7 Cb -0.14 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.44 1t60 s LEU 7 CO 0.03 0.25 -0.07 0.54 0.23 0.00 0.00 176.35 177.34 1t60 s VAL 8 N -1.34 0.69 -0.08 -1.59 0.11 0.32 -4.89 120.40 113.62 1t60 s VAL 8 Ca 0.28 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1t60 s VAL 8 Cb -0.13 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1t60 s VAL 8 CO 0.19 0.26 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.24 1t60 s THR 9 N 0.80 3.53 0.01 5.04 2.01 -1.24 -0.18 115.64 125.61 1t60 s THR 9 Ca -0.12 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.40 1t60 s THR 9 Cb -0.15 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1t60 s THR 9 CO 0.01 0.58 -0.17 -0.60 -0.69 0.00 0.00 174.62 173.76 1t60 s ARG 10 N -0.61 1.23 -0.15 4.92 3.52 0.07 -4.80 118.95 123.13 1t60 s ARG 10 Ca 0.09 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 1t60 s ARG 10 Cb -0.12 -1.24 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 1t60 s ARG 10 CO 0.02 0.33 -0.18 -1.01 -0.81 0.00 0.00 175.30 173.64 1t60 s HIS 11 N -0.60 2.74 0.19 5.12 3.76 -1.26 -0.71 115.29 124.53 1t60 s HIS 11 Ca 0.05 -1.22 0.07 0.00 -0.15 0.00 0.00 55.06 53.81 1t60 s HIS 11 Cb -0.07 -1.87 0.07 0.00 1.11 0.00 0.00 32.58 31.82 1t60 s HIS 11 CO 0.00 -0.57 1.44 0.66 -0.85 0.00 0.00 174.74 175.43 1t60 h SER 12 N 7.40 0.09 -1.12 1.40 4.64 -1.55 -3.46 113.55 120.95 1t60 h SER 12 Ca -0.34 -0.07 -0.29 0.00 -0.47 0.00 0.00 61.79 60.62 1t60 h SER 12 Cb 1.18 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.16 1t60 h SER 12 CO 0.57 0.86 -0.30 0.00 -0.87 0.00 0.00 176.83 177.09 1t60 n GLN 13 N -3.63 -1.05 -4.18 4.77 6.02 -1.26 -4.96 117.38 113.09 1t60 n GLN 13 Ca -0.02 0.91 -0.17 0.00 -0.01 0.00 0.00 57.00 57.71 1t60 n GLN 13 Cb 0.77 -5.08 -0.06 0.00 1.02 0.00 0.00 30.24 26.89 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 -2.59 0.00 -1.55 5.09 -4.23 -1.26 -4.12 115.64 106.98 1t60 s THR 14 Ca 0.00 -1.81 0.30 0.00 -1.18 0.00 0.00 61.69 59.00 1t60 s THR 14 Cb 0.00 -2.56 0.59 0.00 1.34 0.00 0.00 72.50 71.87 1t60 s THR 14 CO 0.00 0.00 2.07 0.35 -0.54 0.00 0.00 174.62 176.50 1t60 n THR 15 N -0.57 0.02 -3.81 3.99 -2.24 -1.26 -2.26 114.28 108.15 1t60 n THR 15 Ca 0.04 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.50 1t60 n THR 15 Cb 0.62 -0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.45 6.44 0.17 3.42 1.01 -1.26 -4.84 116.67 119.16 1t60 s ASP 16 Ca 0.32 0.46 -0.31 0.00 0.71 0.00 0.00 52.55 53.73 1t60 s ASP 16 Cb 0.20 -2.04 -0.09 0.00 1.01 0.00 0.00 42.92 42.00 1t60 s ASP 16 CO 0.43 0.20 1.39 -1.81 0.21 0.00 0.00 175.17 175.59 1t60 s ASP 17 N -2.06 6.80 0.59 0.27 1.01 -1.26 -4.54 116.67 117.48 1t60 s ASP 17 Ca 0.32 2.43 -0.15 0.00 0.71 0.00 0.00 52.55 55.86 1t60 s ASP 17 Cb -0.13 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1t60 s ASP 17 CO 0.21 -0.63 1.04 -2.16 0.21 0.00 0.00 175.17 173.84 1t60 s PRO 18 N 0.44 3.40 0.14 8.23 0.04 -1.26 -5.01 135.00 140.98 1t60 s PRO 18 Ca 0.61 1.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 1t60 s PRO 18 Cb -0.38 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 1t60 s PRO 18 CO 0.35 -0.74 0.73 -0.65 0.04 0.00 0.00 177.00 176.74 1t60 s GLN 19 N -4.25 4.49 0.26 4.56 -1.52 -1.26 -4.68 119.66 117.25 1t60 s GLN 19 Ca 0.62 1.07 -0.30 0.00 -1.95 0.00 0.00 55.36 54.79 1t60 s GLN 19 Cb -0.14 -3.26 -0.10 0.00 -0.22 0.00 0.00 33.01 29.28 1t60 s GLN 19 CO 0.39 0.57 1.41 0.00 -0.25 0.00 0.00 175.29 177.41 1t60 s PRO 21 N -0.55 0.68 0.11 0.00 0.04 -1.26 -4.86 135.00 129.17 1t60 s PRO 21 Ca 0.58 1.33 -0.35 0.00 0.04 0.00 0.00 61.00 62.60 1t60 s PRO 21 Cb -0.41 -1.70 -0.15 0.00 0.04 0.00 0.00 34.50 32.27 1t60 s PRO 21 CO 0.44 -2.79 1.49 -2.30 0.04 0.00 0.00 177.00 173.88 1t60 n PRO 22 N -4.32 1.72 -0.36 0.56 -0.02 -1.26 -2.42 135.00 128.90 1t60 n PRO 22 Ca 0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1t60 n PRO 22 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.09 0.75 3.16 -1.23 0.00 -1.26 -4.99 105.19 104.71 1t60 n GLY 23 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.37 1.07 -0.03 2.61 -4.23 -1.02 -4.22 115.64 107.45 1t60 s THR 24 Ca 0.00 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 1t60 s THR 24 Cb 0.00 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.78 1t60 s THR 24 CO 0.00 -0.20 -0.03 -1.59 -0.54 0.00 0.00 174.62 172.26 1t60 s LYS 25 N -1.63 2.76 0.44 3.99 -2.85 -0.55 -4.74 119.74 117.16 1t60 s LYS 25 Ca -0.02 -0.58 -0.24 0.00 -1.00 0.00 0.00 55.97 54.13 1t60 s LYS 25 Cb -0.10 -2.63 -0.08 0.00 -2.06 0.00 0.00 37.83 32.96 1t60 s LYS 25 CO 0.02 0.65 1.22 -1.50 0.10 0.00 0.00 175.35 175.84 1t60 s ILE 26 N -0.95 2.89 -0.04 3.79 1.10 -1.26 -0.05 121.20 126.67 1t60 s ILE 26 Ca 0.16 0.72 -0.03 0.00 -0.51 0.00 0.00 60.65 60.98 1t60 s ILE 26 Cb -0.11 -3.39 -0.02 0.00 0.15 0.00 0.00 42.46 39.08 1t60 s ILE 26 CO 0.06 0.04 -0.08 0.18 -2.11 0.00 0.00 174.94 173.03 1t60 n LEU 27 N -0.23 0.61 -3.49 8.50 4.77 -0.04 -4.81 117.00 122.32 1t60 n LEU 27 Ca 0.06 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1t60 n LEU 27 Cb 0.46 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1t60 n LEU 27 CO 0.51 -0.03 0.60 -0.72 -1.33 0.00 0.00 177.39 176.42 1t60 s TYR 28 N -2.13 -0.42 0.35 -1.77 -0.85 -1.18 -5.03 117.35 106.32 1t60 s TYR 28 Ca -0.08 0.34 0.08 0.00 -0.52 0.00 0.00 57.07 56.89 1t60 s TYR 28 Cb 0.03 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 1t60 s TYR 28 CO 0.11 -0.62 0.15 -1.01 -1.52 0.00 0.00 175.55 172.66 1t60 s HIS 29 N -3.00 2.69 0.00 -3.49 3.76 -1.26 -1.31 115.29 112.68 1t60 s HIS 29 Ca 0.02 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1t60 s HIS 29 Cb -0.01 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1t60 s HIS 29 CO -0.08 0.31 0.00 0.41 -0.85 0.00 0.00 174.74 174.53 1t60 n GLY 30 N -1.16 1.85 3.63 -2.22 0.00 -0.55 -4.60 105.19 102.13 1t60 n GLY 30 Ca -0.03 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.97 2.97 -0.67 1.61 1.51 0.12 -1.27 117.35 119.65 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 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.21 1t60 s TYR 31 CO 0.00 0.40 1.41 -1.12 -1.11 0.00 0.00 175.55 175.13 1t60 s SER 32 N -1.34 6.00 -0.19 2.29 0.01 -0.37 -1.36 113.70 118.74 1t60 s SER 32 Ca 0.17 -0.12 -0.20 0.00 1.31 0.00 0.00 55.95 57.11 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 0.07 -1.89 0.58 -0.22 0.41 0.00 0.00 173.24 172.19 1t60 s LEU 33 N 6.38 4.15 -0.18 2.44 2.96 0.12 -1.84 118.68 132.70 1t60 s LEU 33 Ca 0.45 0.77 -0.17 0.00 -0.22 0.00 0.00 54.13 54.96 1t60 s LEU 33 Cb -0.09 -2.81 -0.13 0.00 0.50 0.00 0.00 46.19 43.65 1t60 s LEU 33 CO 0.19 -0.23 0.07 0.25 -1.32 0.00 0.00 176.35 175.31 1t60 h LEU 34 N 8.04 0.00 -7.59 -0.68 5.85 -1.13 -3.41 115.31 116.38 1t60 h LEU 34 Ca -0.33 -0.32 0.21 0.00 0.84 0.00 0.00 57.88 58.28 1t60 h LEU 34 Cb 1.15 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 1t60 h LEU 34 CO 0.76 1.23 0.57 -0.72 -0.34 0.00 0.00 178.44 179.94 1t60 s TYR 35 N -2.31 -0.09 0.28 1.25 1.13 -1.08 -2.42 117.35 114.10 1t60 s TYR 35 Ca -0.24 -0.17 0.05 0.00 -1.41 0.00 0.00 57.07 55.30 1t60 s TYR 35 Cb 0.05 0.62 -0.06 0.00 -1.10 0.00 0.00 41.96 41.47 1t60 s TYR 35 CO 0.45 -0.71 -0.01 0.14 -2.51 0.00 0.00 175.55 172.92 1t60 s VAL 36 N -3.01 1.32 -0.15 -3.49 -7.23 -0.38 -0.17 120.40 107.29 1t60 s VAL 36 Ca 0.13 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.20 1t60 s VAL 36 Cb -0.00 -2.52 0.05 0.00 0.56 0.00 0.00 36.38 34.48 1t60 s VAL 36 CO 0.01 -0.22 0.08 -1.58 -0.31 0.00 0.00 175.10 173.08 1t60 s GLN 37 N -3.82 0.10 -0.08 4.82 0.74 -0.52 -0.55 119.66 120.35 1t60 s GLN 37 Ca 0.31 -0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.75 1t60 s GLN 37 Cb 0.06 -1.59 -0.00 0.00 1.10 0.00 0.00 33.01 32.58 1t60 s GLN 37 CO 0.12 -0.60 -0.22 0.20 -0.55 0.00 0.00 175.29 174.25 1t60 s GLY 38 N 2.12 1.19 -1.52 2.59 0.00 -0.13 -1.28 107.32 110.29 1t60 s GLY 38 Ca 0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 1t60 s GLY 38 CO -0.08 -0.36 0.82 -2.01 0.00 0.00 0.00 173.10 171.48 1t60 n ASN 39 N 3.35 -3.29 -0.96 1.64 4.05 -1.26 -1.46 115.26 117.34 1t60 n ASN 39 Ca -0.19 -0.87 -0.12 0.00 0.45 0.00 0.00 54.58 53.85 1t60 n ASN 39 Cb 0.53 -3.56 -0.05 0.00 1.23 0.00 0.00 39.78 37.92 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 -4.52 -0.87 -4.56 1.20 1.02 -1.26 -5.01 120.64 106.64 1t60 n GLU 40 Ca -0.05 0.94 -0.28 0.00 -0.02 0.00 0.00 57.16 57.74 1t60 n GLU 40 Cb 0.56 -4.97 -0.17 0.00 -0.02 0.00 0.00 31.44 26.85 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 -3.07 2.21 0.26 3.49 3.52 -0.53 -5.05 118.95 119.79 1t60 s ARG 41 Ca 0.00 -0.57 -0.17 0.00 -0.13 0.00 0.00 55.73 54.86 1t60 s ARG 41 Cb 0.00 -1.84 -0.08 0.00 -1.56 0.00 0.00 34.95 31.46 1t60 s ARG 41 CO 0.00 -0.02 0.72 0.00 -0.81 0.00 0.00 175.30 175.19 1t60 s ALA 42 N 0.86 3.38 -0.14 6.12 0.00 -1.26 -0.95 121.76 129.77 1t60 s ALA 42 Ca -0.09 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1t60 s ALA 42 Cb -0.15 -2.78 0.07 0.00 0.00 0.00 0.00 23.12 20.26 1t60 s ALA 42 CO 0.00 0.34 0.24 -1.58 0.00 0.00 0.00 175.76 174.76 1t60 s HIS 43 N -1.73 -0.35 0.44 0.00 2.46 0.29 -4.93 115.29 111.47 1t60 s HIS 43 Ca 0.48 0.71 0.08 0.00 0.47 0.00 0.00 55.06 56.80 1t60 s HIS 43 Cb -0.14 -0.16 0.01 0.00 -0.13 0.00 0.00 32.58 32.16 1t60 s HIS 43 CO 0.19 -0.41 0.50 0.20 -2.47 0.00 0.00 174.74 172.75 1t60 s GLY 44 N 2.38 2.03 -0.19 1.59 0.00 -1.26 -1.25 107.32 110.61 1t60 s GLY 44 Ca 0.03 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 42.98 1t60 s GLY 44 CO -0.09 -1.62 -0.14 1.20 0.00 0.00 0.00 173.10 172.45 1t60 s GLN 45 N -4.29 2.35 -0.02 2.90 -1.52 -1.01 -4.98 119.66 113.09 1t60 s GLN 45 Ca 0.52 -0.86 -0.36 0.00 -1.95 0.00 0.00 55.36 52.70 1t60 s GLN 45 Cb -0.06 -2.47 -0.15 0.00 -0.22 0.00 0.00 33.01 30.12 1t60 s GLN 45 CO 0.31 -0.36 1.61 -3.47 -0.25 0.00 0.00 175.29 173.13 1t60 n ASP 46 N 4.65 2.56 0.03 5.90 2.03 -1.26 -4.63 116.55 125.83 1t60 n ASP 46 Ca -0.17 1.07 0.02 0.00 0.52 0.00 0.00 54.79 56.23 1t60 n ASP 46 Cb 0.47 -1.28 0.10 0.00 -0.72 0.00 0.00 41.12 39.70 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 4.30 0.10 -0.32 -2.67 4.77 -1.26 -0.79 117.00 121.13 1t60 n LEU 47 Ca 0.21 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.85 1t60 n LEU 47 Cb 0.22 -0.55 0.30 0.00 -2.33 0.00 0.00 43.42 41.06 1t60 n LEU 47 CO 0.69 -0.57 0.59 0.61 -1.33 0.00 0.00 177.39 177.38 1t60 n GLY 48 N -1.46 -0.41 3.80 -0.72 0.00 -1.26 -4.39 105.19 100.75 1t60 n GLY 48 Ca -0.00 -0.46 -0.24 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 -2.46 4.41 0.30 2.61 -4.23 0.03 -3.73 115.64 112.58 1t60 s THR 49 Ca 0.24 -1.26 0.37 0.00 -1.18 0.00 0.00 61.69 59.85 1t60 s THR 49 Cb 0.19 -3.31 0.38 0.00 1.34 0.00 0.00 72.50 71.10 1t60 s THR 49 CO 0.52 -0.23 2.12 0.00 -0.54 0.00 0.00 174.62 176.49 1t60 h ALA 50 N 1.99 1.00 0.00 3.99 0.00 -1.91 -2.23 119.26 122.10 1t60 h ALA 50 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t60 h ALA 50 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1t60 h ALA 50 CO 0.62 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.65 1t60 h GLY 51 N 0.61 0.00 -1.36 0.00 0.00 -1.95 -1.50 103.07 98.88 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 -2.54 2.18 -3.86 0.19 3.41 -0.84 -4.66 113.62 107.51 1t60 n SER 52 Ca 0.00 -1.88 -0.30 0.00 -0.26 0.00 0.00 58.87 56.43 1t60 n SER 52 Cb 0.16 -0.21 -0.14 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.82 4.44 0.37 0.00 1.02 -0.46 -4.79 118.68 120.08 1t60 s LEU 54 Ca 0.13 0.96 0.06 0.00 0.02 0.00 0.00 54.13 55.30 1t60 s LEU 54 Cb -0.21 -2.64 0.73 0.00 0.02 0.00 0.00 46.19 44.09 1t60 s LEU 54 CO -0.10 0.25 1.95 0.03 0.02 0.00 0.00 176.35 178.50 1t60 h ARG 55 N 5.13 0.50 -6.27 1.70 3.08 -1.88 0.34 114.38 116.98 1t60 h ARG 55 Ca -0.49 -0.07 -0.63 0.00 0.07 0.00 0.00 59.98 58.86 1t60 h ARG 55 Cb 1.21 -0.09 -0.28 0.00 0.08 0.00 0.00 29.97 30.89 1t60 h ARG 55 CO 0.65 0.45 -0.86 0.15 -1.07 0.00 0.00 179.97 179.29 1t60 s LYS 56 N -5.15 1.65 0.10 0.04 1.02 -1.26 -4.69 119.74 111.45 1t60 s LYS 56 Ca -0.08 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 54.99 1t60 s LYS 56 Cb 0.16 -1.71 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1t60 s LYS 56 CO 0.75 0.45 0.27 0.12 -0.92 0.00 0.00 175.35 176.02 1t60 s PHE 57 N -0.68 3.50 -0.24 3.18 5.36 -1.26 -4.89 117.98 122.95 1t60 s PHE 57 Ca 0.09 0.32 -0.27 0.00 -0.96 0.00 0.00 56.93 56.11 1t60 s PHE 57 Cb -0.09 -1.82 0.12 0.00 -0.34 0.00 0.00 43.02 40.90 1t60 s PHE 57 CO 0.01 0.53 1.01 0.45 -1.46 0.00 0.00 175.22 175.76 1t60 s SER 58 N -2.61 -0.43 0.55 6.13 0.15 -1.26 -5.00 113.70 111.22 1t60 s SER 58 Ca 0.37 0.72 0.33 0.00 0.70 0.00 0.00 55.95 58.06 1t60 s SER 58 Cb -0.12 0.69 1.47 0.00 -1.71 0.00 0.00 66.02 66.35 1t60 s SER 58 CO 0.27 -0.22 2.03 0.71 1.20 0.00 0.00 173.24 177.23 1t60 h THR 59 N 3.26 0.19 -2.45 6.45 1.35 -1.94 -3.33 112.91 116.43 1t60 h THR 59 Ca -0.25 -0.54 -0.59 0.00 -0.55 0.00 0.00 66.41 64.48 1t60 h THR 59 Cb 1.17 1.45 -0.38 0.00 -1.73 0.00 0.00 68.15 68.66 1t60 h THR 59 CO 0.18 0.06 -0.93 -0.32 -0.25 0.00 0.00 175.52 174.26 1t60 s MET 60 N -3.83 0.83 0.00 4.72 -2.45 -1.26 -3.99 119.30 113.31 1t60 s MET 60 Ca -0.01 -1.89 0.03 0.00 -1.25 0.00 0.00 55.69 52.57 1t60 s MET 60 Cb 0.10 -1.43 0.19 0.00 1.25 0.00 0.00 34.83 34.95 1t60 s MET 60 CO 0.55 -1.33 1.12 -0.35 1.05 0.00 0.00 175.02 176.06 1t60 n PRO 61 N 3.20 1.00 -4.10 4.11 -0.04 -1.25 -4.87 135.00 133.04 1t60 n PRO 61 Ca 0.24 -0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1t60 n PRO 61 Cb 0.44 -1.05 -0.08 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.79 0.22 0.54 -0.71 -1.26 -5.10 117.98 110.46 1t60 s PHE 62 Ca 0.05 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 54.85 1t60 s PHE 62 Cb 0.02 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.50 1t60 s PHE 62 CO 0.04 -0.71 0.14 -0.48 -1.34 0.00 0.00 175.22 172.86 1t60 s LEU 63 N -3.07 1.28 0.11 -1.99 0.05 -1.26 -4.56 118.68 109.24 1t60 s LEU 63 Ca 0.29 -1.42 0.05 0.00 0.05 0.00 0.00 54.13 53.10 1t60 s LEU 63 Cb 0.05 0.33 -0.04 0.00 -2.05 0.00 0.00 46.19 44.48 1t60 s LEU 63 CO 0.07 -0.84 -0.13 0.72 -0.55 0.00 0.00 176.35 175.62 1t60 s PHE 64 N -4.03 1.32 0.04 3.48 -0.12 -0.98 -4.99 117.98 112.70 1t60 s PHE 64 Ca 0.39 -0.57 0.06 0.00 -0.05 0.00 0.00 56.93 56.76 1t60 s PHE 64 Cb 0.07 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.74 1t60 s PHE 64 CO 0.13 0.11 -0.16 0.00 -0.05 0.00 0.00 175.22 175.25 1t60 s ASN 66 N -1.18 4.77 0.00 0.00 2.20 -0.79 -4.98 114.94 114.96 1t60 s ASN 66 Ca 0.03 -1.14 0.16 0.00 -0.94 0.00 0.00 52.86 50.98 1t60 s ASN 66 Cb -0.08 0.43 0.83 0.00 -2.00 0.00 0.00 41.25 40.43 1t60 s ASN 66 CO 0.01 -1.21 1.47 2.30 -2.94 0.00 0.00 177.10 176.74 1t60 n ILE 67 N -1.94 0.51 -0.65 0.54 -5.35 -1.26 -1.64 119.36 109.57 1t60 n ILE 67 Ca 0.04 0.13 0.07 0.00 -0.27 0.00 0.00 62.75 62.72 1t60 n ILE 67 Cb 0.63 -0.86 0.36 0.00 -1.74 0.00 0.00 39.64 38.04 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 -1.28 5.11 -4.09 7.28 3.02 -1.26 -4.93 115.26 119.11 1t60 n ASN 68 Ca 0.08 -2.75 -0.32 0.00 -0.03 0.00 0.00 54.58 51.57 1t60 n ASN 68 Cb 0.13 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 1t60 n ASN 68 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1t60 n ASN 69 N 0.67 -2.56 -4.13 6.41 3.02 -0.65 -4.98 115.26 113.05 1t60 n ASN 69 Ca 0.25 -0.97 -0.30 0.00 -0.03 0.00 0.00 54.58 53.52 1t60 n ASN 69 Cb 1.05 -3.04 -0.17 0.00 -0.61 0.00 0.00 39.78 37.02 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 -3.51 1.77 0.11 2.41 1.01 -1.26 -4.96 120.40 115.97 1t60 s VAL 70 Ca 0.49 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1t60 s VAL 70 Cb -0.26 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1t60 s VAL 70 CO 0.90 0.49 -0.02 0.00 0.00 0.00 0.00 175.10 176.47 1t60 s ASN 72 N -2.42 2.21 -0.10 0.00 0.01 -0.11 -4.99 114.94 109.54 1t60 s ASN 72 Ca 0.25 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 52.08 1t60 s ASN 72 Cb -0.11 -0.44 0.01 0.00 0.41 0.00 0.00 41.25 41.11 1t60 s ASN 72 CO 0.17 0.19 -0.20 0.12 -1.51 0.00 0.00 177.10 175.88 1t60 s PHE 73 N -0.19 2.20 -0.73 2.20 5.36 -1.26 -2.31 117.98 123.24 1t60 s PHE 73 Ca 0.01 -0.92 0.00 0.00 -0.96 0.00 0.00 56.93 55.06 1t60 s PHE 73 Cb -0.10 -1.51 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 1t60 s PHE 73 CO 0.01 -0.41 0.00 0.00 -1.46 0.00 0.00 175.22 173.36 1t60 n ALA 74 N 3.74 -0.11 0.51 11.12 0.00 -1.26 -4.77 120.51 129.74 1t60 n ALA 74 Ca -0.20 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1t60 n ALA 74 Cb 0.52 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 19.08 1t60 n ALA 74 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t60 n SER 75 N 0.28 0.60 -0.03 0.00 3.41 -1.26 -4.55 113.62 112.08 1t60 n SER 75 Ca -0.07 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1t60 n SER 75 Cb 0.26 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 1t60 n SER 75 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1t60 n ARG 76 N -2.02 3.17 -3.08 4.33 0.63 -1.26 -5.05 116.66 113.38 1t60 n ARG 76 Ca 0.01 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.71 1t60 n ARG 76 Cb 0.45 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.32 1t60 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t60 n ASN 77 N 0.00 2.74 -4.98 6.15 3.02 -1.26 -4.79 115.26 116.14 1t60 n ASN 77 Ca 0.00 -3.35 -0.18 0.00 -0.03 0.00 0.00 54.58 51.02 1t60 n ASN 77 Cb 0.00 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 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 -2.87 5.54 0.22 6.41 -0.00 -1.26 -4.89 116.67 119.81 1t60 s ASP 78 Ca 0.44 -0.48 0.04 0.00 -0.00 0.00 0.00 52.55 52.55 1t60 s ASP 78 Cb 0.29 -0.67 -0.05 0.00 -0.00 0.00 0.00 42.92 42.50 1t60 s ASP 78 CO -0.11 -0.72 -0.02 -0.31 -0.00 0.00 0.00 175.17 174.02 1t60 s TYR 79 N -2.37 1.53 -0.01 4.23 1.51 -0.40 -2.14 117.35 119.70 1t60 s TYR 79 Ca 0.53 -0.89 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1t60 s TYR 79 Cb -0.08 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 40.89 1t60 s TYR 79 CO 0.32 -0.02 0.03 -1.54 -1.11 0.00 0.00 175.55 173.23 1t60 s SER 80 N -3.29 -0.01 -0.06 2.29 1.04 -0.80 -1.45 113.70 111.43 1t60 s SER 80 Ca 0.27 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.74 1t60 s SER 80 Cb 0.05 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1t60 s SER 80 CO 0.08 -0.05 -0.15 -0.31 0.98 0.00 0.00 173.24 173.79 1t60 s TYR 81 N -0.16 1.62 0.02 5.02 2.02 0.77 -1.10 117.35 125.53 1t60 s TYR 81 Ca -0.02 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.18 1t60 s TYR 81 Cb -0.01 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 1t60 s TYR 81 CO -0.00 -0.23 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.04 1t60 s TRP 82 N 0.35 1.11 0.40 2.71 0.52 -1.04 -0.59 118.94 122.40 1t60 s TRP 82 Ca -0.10 -0.29 -0.27 0.00 0.02 0.00 0.00 56.10 55.46 1t60 s TRP 82 Cb -0.14 -0.68 -0.10 0.00 -1.15 0.00 0.00 33.47 31.40 1t60 s TRP 82 CO 0.03 0.01 1.45 -0.51 0.02 0.00 0.00 176.95 177.95 1t60 s LEU 83 N -0.76 4.25 0.57 2.99 1.43 -0.77 -1.04 118.68 125.35 1t60 s LEU 83 Ca 0.02 2.97 0.06 0.00 -1.03 0.00 0.00 54.13 56.15 1t60 s LEU 83 Cb -0.06 -3.77 0.06 0.00 0.03 0.00 0.00 46.19 42.44 1t60 s LEU 83 CO 0.00 -0.96 0.47 -0.94 0.23 0.00 0.00 176.35 175.15 1t60 s SER 84 N -0.32 4.65 0.52 2.29 1.04 0.10 -0.96 113.70 121.03 1t60 s SER 84 Ca 0.56 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.77 1t60 s SER 84 Cb -0.45 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.27 1t60 s SER 84 CO 0.60 -1.21 0.38 0.35 0.98 0.00 0.00 173.24 174.33 1t60 n THR 85 N -1.88 0.00 1.15 2.02 -2.24 -0.88 -4.49 114.28 107.96 1t60 n THR 85 Ca 0.00 -2.09 0.11 0.00 -2.27 0.00 0.00 64.05 59.80 1t60 n THR 85 Cb 0.64 -0.03 0.59 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.71 0.45 -1.65 -0.78 -0.02 -1.26 -4.86 135.00 125.16 1t60 n PRO 86 Ca -0.03 0.05 -0.55 0.00 -2.02 0.00 0.00 63.50 60.96 1t60 n PRO 86 Cb 0.60 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.19 1.19 -2.04 -0.52 4.07 -1.26 -4.92 120.64 115.97 1t60 n GLU 87 Ca 0.13 0.43 -0.34 0.00 -0.06 0.00 0.00 57.16 57.32 1t60 n GLU 87 Cb 0.14 -2.10 0.02 0.00 -0.06 0.00 0.00 31.44 29.44 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 2.10 3.12 0.45 5.31 0.02 -1.26 -4.98 135.00 139.76 1t60 s PRO 88 Ca 0.92 1.51 -0.18 0.00 0.02 0.00 0.00 61.00 63.27 1t60 s PRO 88 Cb -1.00 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 31.44 1t60 s PRO 88 CO 0.56 -1.02 0.93 -1.64 -0.33 0.00 0.00 177.00 175.51 1t60 s MET 89 N -3.64 4.08 0.84 5.54 -1.94 -1.26 -5.02 119.30 117.91 1t60 s MET 89 Ca 0.70 0.98 -0.12 0.00 -1.71 0.00 0.00 55.69 55.54 1t60 s MET 89 Cb -0.22 -2.20 0.11 0.00 2.01 0.00 0.00 34.83 34.52 1t60 s MET 89 CO 0.33 -0.10 1.18 -2.14 -0.01 0.00 0.00 175.02 174.28 1t60 s PRO 90 N -3.54 1.42 0.55 2.03 0.02 -1.26 -4.86 135.00 129.35 1t60 s PRO 90 Ca 0.60 1.67 0.27 0.00 0.02 0.00 0.00 61.00 63.56 1t60 s PRO 90 Cb -0.10 -1.76 1.57 0.00 0.02 0.00 0.00 34.50 34.23 1t60 s PRO 90 CO 0.21 -2.36 2.15 1.98 -0.33 0.00 0.00 177.00 178.65 1t60 h MET 91 N -1.26 0.00 0.00 5.54 4.05 -1.98 -2.20 114.93 119.09 1t60 h MET 91 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1t60 h MET 91 Cb 1.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1t60 h MET 91 CO 0.45 0.07 0.00 -1.13 0.23 0.00 0.00 176.91 176.52 1t60 n SER 92 N -3.83 0.74 -1.53 1.39 3.41 -1.26 -4.90 113.62 107.64 1t60 n SER 92 Ca -0.02 0.61 -0.20 0.00 -0.26 0.00 0.00 58.87 59.00 1t60 n SER 92 Cb 0.16 -0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 63.24 1t60 n SER 92 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1t60 n MET 93 N -2.24 -1.38 -3.46 4.33 0.00 -0.83 -4.97 117.12 108.57 1t60 n MET 93 Ca 0.04 1.19 -0.31 0.00 0.00 0.00 0.00 57.70 58.62 1t60 n MET 93 Cb 0.35 -5.53 -0.05 0.00 0.00 0.00 0.00 33.22 27.99 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 -2.74 3.63 0.22 3.04 0.00 -1.26 -5.00 121.76 119.64 1t60 s ALA 94 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 1t60 s ALA 94 Cb 0.00 -2.35 -0.16 0.00 0.00 0.00 0.00 23.12 20.61 1t60 s ALA 94 CO 0.00 0.51 0.71 -2.30 0.00 0.00 0.00 175.76 174.69 1t60 n PRO 95 N -0.19 0.46 -3.75 0.00 -0.02 -1.26 -4.85 135.00 125.39 1t60 n PRO 95 Ca -0.00 0.16 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 1t60 n PRO 95 Cb 0.52 -1.31 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.96 5.33 0.14 4.25 1.01 0.44 -4.88 121.20 126.52 1t60 s ILE 96 Ca 0.63 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1t60 s ILE 96 Cb -0.87 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1t60 s ILE 96 CO 0.57 0.53 0.02 0.42 0.00 0.00 0.00 174.94 176.48 1t60 s THR 97 N -1.13 0.35 0.00 2.92 -4.23 -1.26 -1.17 115.64 111.12 1t60 s THR 97 Ca 0.21 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1t60 s THR 97 Cb -0.14 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1t60 s THR 97 CO 0.10 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1t60 n GLY 98 N -0.12 3.00 0.26 3.99 0.00 -1.26 -2.27 105.19 108.79 1t60 n GLY 98 Ca -0.07 -0.17 0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.55 114.58 116.04 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 -2.94 0.61 0.03 1.42 3.02 -0.96 -2.43 115.26 114.01 1t60 n ASN 100 Ca 0.00 0.67 -0.11 0.00 -0.03 0.00 0.00 54.58 55.11 1t60 n ASN 100 Cb 0.25 -0.79 0.02 0.00 -0.61 0.00 0.00 39.78 38.65 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 1.35 -0.92 2.41 2.04 -1.55 -3.34 117.51 117.51 1t60 h ILE 101 Ca 0.00 -2.07 0.26 0.00 1.00 0.00 0.00 64.86 64.06 1t60 h ILE 101 Cb 0.30 2.05 -0.14 0.00 -0.74 0.00 0.00 36.82 38.29 1t60 h ILE 101 CO 0.00 0.63 0.35 -0.09 0.00 0.00 0.00 178.15 179.04 1t60 h ARG 102 N 0.34 0.24 0.00 2.37 2.43 -1.67 0.13 114.38 118.22 1t60 h ARG 102 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1t60 h ARG 102 Cb 1.29 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1t60 h ARG 102 CO 0.13 0.16 0.00 -1.35 -1.51 0.00 0.00 179.97 177.40 1t60 h PRO 103 N 0.25 0.00 -0.00 0.20 0.11 -1.78 -2.82 132.00 127.96 1t60 h PRO 103 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1t60 h PRO 103 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1t60 h PRO 103 CO -0.64 0.00 -0.75 1.19 -0.21 0.00 0.00 178.00 177.59 1t60 n PHE 104 N -2.36 0.00 -3.56 0.65 3.01 0.45 -4.57 117.46 111.08 1t60 n PHE 104 Ca -0.01 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.09 1t60 n PHE 104 Cb 0.10 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.43 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 -2.88 5.32 0.48 4.37 -1.09 -1.07 -2.08 121.20 124.24 1t60 s ILE 105 Ca 0.12 0.51 -0.22 0.00 -2.23 0.00 0.00 60.65 58.83 1t60 s ILE 105 Cb 0.17 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.36 1t60 s ILE 105 CO 0.76 0.40 1.12 -0.55 -1.23 0.00 0.00 174.94 175.43 1t60 s SER 106 N 0.44 6.17 0.30 3.58 0.15 -0.14 -4.43 113.70 119.78 1t60 s SER 106 Ca 0.16 2.17 0.07 0.00 0.70 0.00 0.00 55.95 59.04 1t60 s SER 106 Cb -0.13 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1t60 s SER 106 CO 0.03 -0.91 0.30 -0.13 1.20 0.00 0.00 173.24 173.73 1t60 s ARG 107 N -2.91 2.91 0.14 5.44 1.81 -0.96 -1.24 118.95 124.13 1t60 s ARG 107 Ca 0.66 -1.13 -0.08 0.00 -1.72 0.00 0.00 55.73 53.45 1t60 s ARG 107 Cb -0.24 -2.59 -0.01 0.00 -0.45 0.00 0.00 34.95 31.66 1t60 s ARG 107 CO 0.29 0.21 0.24 0.00 -0.68 0.00 0.00 175.30 175.36 1t60 s ALA 109 N -3.93 1.00 -0.23 0.00 0.00 0.11 -1.48 121.76 117.23 1t60 s ALA 109 Ca 0.13 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1t60 s ALA 109 Cb 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1t60 s ALA 109 CO -0.04 0.18 -0.00 0.08 0.00 0.00 0.00 175.76 175.98 1t60 s VAL 110 N 0.09 3.71 0.10 0.00 1.01 -0.43 -0.75 120.40 124.13 1t60 s VAL 110 Ca -0.02 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1t60 s VAL 110 Cb -0.08 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1t60 s VAL 110 CO 0.01 0.39 -0.26 0.00 0.00 0.00 0.00 175.10 175.24 1t60 s GLU 112 N -1.77 4.29 0.09 0.00 2.02 0.93 -0.52 118.70 123.74 1t60 s GLU 112 Ca 0.12 0.69 0.07 0.00 0.02 0.00 0.00 54.97 55.87 1t60 s GLU 112 Cb -0.10 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1t60 s GLU 112 CO 0.04 -0.12 -0.10 0.00 0.02 0.00 0.00 175.26 175.10 1t60 s ALA 113 N 1.49 2.95 0.20 5.21 0.00 0.22 -1.48 121.76 130.35 1t60 s ALA 113 Ca 0.31 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 1t60 s ALA 113 Cb -0.16 -0.91 0.14 0.00 0.00 0.00 0.00 23.12 22.19 1t60 s ALA 113 CO 0.12 0.64 1.78 -1.35 0.00 0.00 0.00 175.76 176.95 1t60 h PRO 114 N 3.72 1.09 0.00 0.00 0.11 -1.84 -3.09 132.00 131.99 1t60 h PRO 114 Ca -0.49 -0.17 -0.07 0.00 0.11 0.00 0.00 66.00 65.38 1t60 h PRO 114 Cb 1.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1t60 h PRO 114 CO 0.52 0.87 -0.06 0.00 -0.21 0.00 0.00 178.00 179.12 1t60 n ALA 115 N -2.40 0.07 -1.70 -0.75 0.00 -1.26 -4.34 120.51 110.13 1t60 n ALA 115 Ca 0.06 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 1t60 n ALA 115 Cb 0.15 0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.78 1t60 n ALA 115 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1t60 s MET 116 N -2.18 3.23 0.19 0.00 -1.94 -1.26 -4.76 119.30 112.58 1t60 s MET 116 Ca 0.03 1.52 0.10 0.00 -1.71 0.00 0.00 55.69 55.63 1t60 s MET 116 Cb 0.00 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 1t60 s MET 116 CO 0.02 -0.93 -0.22 0.08 -0.01 0.00 0.00 175.02 173.97 1t60 s VAL 117 N -1.96 2.17 0.29 -6.03 1.01 -1.26 -1.41 120.40 113.22 1t60 s VAL 117 Ca 0.71 -2.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.51 1t60 s VAL 117 Cb -0.22 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1t60 s VAL 117 CO 0.31 -0.21 0.61 0.00 0.00 0.00 0.00 175.10 175.81 1t60 s MET 118 N -2.79 1.79 0.01 2.72 0.23 0.90 -4.90 119.30 117.26 1t60 s MET 118 Ca 0.20 -1.26 0.06 0.00 -1.03 0.00 0.00 55.69 53.66 1t60 s MET 118 Cb -0.07 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.75 1t60 s MET 118 CO 0.09 -0.79 -0.18 0.00 -2.03 0.00 0.00 175.02 172.11 1t60 s ALA 119 N -3.56 1.49 0.04 3.16 0.00 -0.99 0.25 121.76 122.16 1t60 s ALA 119 Ca 0.18 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1t60 s ALA 119 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1t60 s ALA 119 CO 0.10 0.34 -0.21 0.14 0.00 0.00 0.00 175.76 176.14 1t60 s VAL 120 N -0.62 1.67 -0.02 0.00 -7.23 -0.56 -4.62 120.40 109.03 1t60 s VAL 120 Ca 0.06 -1.20 0.07 0.00 -1.81 0.00 0.00 61.98 59.10 1t60 s VAL 120 Cb -0.08 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1t60 s VAL 120 CO 0.00 0.21 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.76 1t60 s HIS 121 N -0.80 2.17 -0.08 2.82 3.76 -1.26 -1.87 115.29 120.03 1t60 s HIS 121 Ca 0.07 -0.44 0.13 0.00 -0.15 0.00 0.00 55.06 54.67 1t60 s HIS 121 Cb -0.09 -1.40 -0.24 0.00 1.11 0.00 0.00 32.58 31.96 1t60 s HIS 121 CO 0.02 -0.06 0.52 -1.13 -0.85 0.00 0.00 174.74 173.24 1t60 n SER 122 N 2.56 0.75 -1.79 1.40 3.41 -0.63 -4.93 113.62 114.38 1t60 n SER 122 Ca -0.16 0.32 -0.16 0.00 -0.26 0.00 0.00 58.87 58.60 1t60 n SER 122 Cb 0.52 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 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 -3.00 -1.29 -2.26 4.33 6.02 -1.26 -4.93 117.38 114.99 1t60 n GLN 123 Ca -0.21 0.84 -0.04 0.00 -0.01 0.00 0.00 57.00 57.58 1t60 n GLN 123 Cb 1.07 -5.22 -0.01 0.00 1.02 0.00 0.00 30.24 27.11 1t60 n GLN 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1t60 n THR 124 N -3.80 0.00 0.56 5.09 -2.24 -1.26 -0.33 114.28 112.30 1t60 n THR 124 Ca -0.19 -0.52 0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1t60 n THR 124 Cb 0.63 0.34 0.30 0.00 -2.10 0.00 0.00 70.33 69.51 1t60 n THR 124 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1t60 h ILE 125 N 1.32 0.00 -3.56 2.28 3.07 -1.90 -2.84 117.51 115.88 1t60 h ILE 125 Ca -0.09 -0.54 -0.52 0.00 1.55 0.00 0.00 64.86 65.26 1t60 h ILE 125 Cb 0.38 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 1t60 h ILE 125 CO 0.12 0.00 0.46 -1.58 -1.05 0.00 0.00 178.15 176.10 1t60 s GLN 126 N -3.14 4.61 -0.21 0.16 0.74 -1.26 -4.85 119.66 115.71 1t60 s GLN 126 Ca 0.09 1.68 -0.29 0.00 0.05 0.00 0.00 55.36 56.89 1t60 s GLN 126 Cb 0.12 -3.29 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1t60 s GLN 126 CO 0.65 0.10 1.53 0.42 -0.55 0.00 0.00 175.29 177.43 1t60 s ILE 127 N -0.22 3.82 0.32 -2.34 -1.09 -1.26 -4.59 121.20 115.83 1t60 s ILE 127 Ca 0.49 0.94 -0.29 0.00 -2.23 0.00 0.00 60.65 59.55 1t60 s ILE 127 Cb -0.29 -3.79 -0.12 0.00 -1.58 0.00 0.00 42.46 36.69 1t60 s ILE 127 CO 0.34 -0.29 1.53 -0.81 -1.23 0.00 0.00 174.94 174.48 1t60 n PRO 128 N 7.45 2.61 -2.67 2.79 -0.04 -1.26 -4.95 135.00 138.93 1t60 n PRO 128 Ca 0.17 0.92 -0.33 0.00 -0.04 0.00 0.00 63.50 64.23 1t60 n PRO 128 Cb 0.45 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 1t60 n PRO 128 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1t60 s GLN 129 N -1.10 4.11 0.30 0.54 -0.21 -1.26 -4.48 119.66 117.56 1t60 s GLN 129 Ca 0.60 1.08 -0.29 0.00 0.02 0.00 0.00 55.36 56.78 1t60 s GLN 129 Cb -0.51 -2.16 -0.10 0.00 1.00 0.00 0.00 33.01 31.25 1t60 s GLN 129 CO 0.54 -0.13 1.14 0.00 -2.12 0.00 0.00 175.29 174.72 1t60 n PRO 131 N 1.01 1.17 -1.65 0.00 -0.02 -1.26 -4.78 135.00 129.46 1t60 n PRO 131 Ca -0.00 0.44 -0.49 0.00 -2.02 0.00 0.00 63.50 61.42 1t60 n PRO 131 Cb 0.45 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.38 0.11 -0.26 3.45 -1.04 -1.26 -0.76 114.28 113.14 1t60 n THR 132 Ca 0.12 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1t60 n THR 132 Cb 0.45 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 1t60 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t60 n GLY 133 N 3.35 0.87 2.94 3.41 0.00 -1.26 -5.07 105.19 109.43 1t60 n GLY 133 Ca 0.19 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 1.31 0.34 1.61 0.52 0.06 -4.48 118.94 116.30 1t60 s TRP 134 Ca 0.00 -0.54 -0.03 0.00 0.02 0.00 0.00 56.10 55.55 1t60 s TRP 134 Cb 0.00 -1.06 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 1t60 s TRP 134 CO 0.00 -0.36 0.58 -1.54 0.02 0.00 0.00 176.95 175.65 1t60 s SER 135 N 1.21 6.36 0.12 2.95 1.04 0.16 -4.56 113.70 120.97 1t60 s SER 135 Ca -0.05 0.63 -0.29 0.00 0.48 0.00 0.00 55.95 56.72 1t60 s SER 135 Cb -0.14 -2.11 -0.06 0.00 0.10 0.00 0.00 66.02 63.81 1t60 s SER 135 CO -0.02 -0.29 0.91 -0.55 0.98 0.00 0.00 173.24 174.27 1t60 s SER 136 N -3.66 7.46 -0.22 7.02 0.15 -1.26 -0.77 113.70 122.42 1t60 s SER 136 Ca 0.43 1.75 -0.00 0.00 0.70 0.00 0.00 55.95 58.82 1t60 s SER 136 Cb -0.10 -2.57 -0.14 0.00 -1.71 0.00 0.00 66.02 61.51 1t60 s SER 136 CO 0.35 -0.00 -0.21 0.18 1.20 0.00 0.00 173.24 174.75 1t60 n LEU 137 N 2.53 2.77 -3.61 3.45 4.77 0.43 -4.87 117.00 122.47 1t60 n LEU 137 Ca 0.00 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 1t60 n LEU 137 Cb 0.49 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1t60 n LEU 137 CO 0.50 0.81 1.04 -1.66 -1.33 0.00 0.00 177.39 176.75 1t60 s TRP 138 N -2.43 -0.08 0.28 -1.77 -2.14 -1.20 -4.79 118.94 106.81 1t60 s TRP 138 Ca -0.30 -0.00 0.12 0.00 2.66 0.00 0.00 56.10 58.58 1t60 s TRP 138 Cb 0.08 0.53 -0.05 0.00 -3.10 0.00 0.00 33.47 30.93 1t60 s TRP 138 CO 0.49 -0.24 -0.19 0.96 -2.66 0.00 0.00 176.95 175.30 1t60 s ILE 139 N -2.42 2.44 0.00 0.66 -4.36 -1.26 -0.09 121.20 116.16 1t60 s ILE 139 Ca 0.12 -2.39 0.00 0.00 -0.26 0.00 0.00 60.65 58.12 1t60 s ILE 139 Cb 0.02 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.41 1t60 s ILE 139 CO -0.04 -0.39 0.00 0.61 0.24 0.00 0.00 174.94 175.36 1t60 n GLY 140 N -0.63 2.07 3.32 6.27 0.00 -0.51 -4.40 105.19 111.31 1t60 n GLY 140 Ca -0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.19 2.23 -0.60 1.61 1.51 0.14 -1.75 117.35 119.30 1t60 s TYR 141 Ca 0.00 -0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 55.39 1t60 s TYR 141 Cb 0.00 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1t60 s TYR 141 CO 0.00 0.09 1.94 -1.12 -1.11 0.00 0.00 175.55 175.35 1t60 s SER 142 N -1.10 5.14 -0.30 2.29 0.01 -0.32 -1.94 113.70 117.48 1t60 s SER 142 Ca 0.11 0.41 -0.13 0.00 1.31 0.00 0.00 55.95 57.65 1t60 s SER 142 Cb -0.10 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1t60 s SER 142 CO 0.01 -2.47 0.27 0.12 0.41 0.00 0.00 173.24 171.59 1t60 s PHE 143 N 9.57 3.23 -0.24 2.43 5.36 0.45 -1.66 117.98 137.12 1t60 s PHE 143 Ca 0.72 0.09 -0.13 0.00 -0.96 0.00 0.00 56.93 56.65 1t60 s PHE 143 Cb -0.13 -2.50 -0.10 0.00 -0.34 0.00 0.00 43.02 39.95 1t60 s PHE 143 CO 0.21 -0.27 -0.32 0.28 -1.46 0.00 0.00 175.22 173.66 1t60 n VAL 144 N 5.12 1.36 -3.72 3.12 0.31 -0.25 -4.39 118.33 119.88 1t60 n VAL 144 Ca -0.12 -0.31 -0.07 0.00 -0.01 0.00 0.00 64.34 63.84 1t60 n VAL 144 Cb 0.51 -1.87 0.02 0.00 -0.91 0.00 0.00 33.84 31.60 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 -4.12 0.89 -3.53 5.55 0.00 -1.14 -0.41 117.12 114.36 1t60 n MET 145 Ca -0.46 -1.78 -0.09 0.00 0.00 0.00 0.00 57.70 55.37 1t60 n MET 145 Cb 0.82 2.25 -0.02 0.00 0.00 0.00 0.00 33.22 36.27 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 -3.01 -0.36 0.05 3.17 -3.43 -0.76 -0.36 115.29 110.59 1t60 s HIS 146 Ca 0.15 0.17 -0.05 0.00 -0.80 0.00 0.00 55.06 54.52 1t60 s HIS 146 Cb -0.04 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.66 1t60 s HIS 146 CO 0.09 -0.70 0.09 0.95 -2.00 0.00 0.00 174.74 173.17 1t60 s THR 147 N -3.35 0.15 0.00 -5.38 -4.23 -0.74 -2.82 115.64 99.26 1t60 s THR 147 Ca 0.05 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1t60 s THR 147 Cb -0.01 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1t60 s THR 147 CO -0.08 -0.66 0.00 -0.24 -0.54 0.00 0.00 174.62 173.10 1t60 n SER 148 N 0.56 0.00 -4.68 3.99 2.88 -0.20 -1.14 113.62 115.03 1t60 n SER 148 Ca -0.18 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.91 1t60 n SER 148 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1t60 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t60 n ALA 149 N -3.00 1.75 -1.18 -1.46 0.00 -1.26 -1.38 120.51 113.98 1t60 n ALA 149 Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 1t60 n ALA 149 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 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 3.53 0.75 2.50 0.00 0.00 -1.26 -2.05 105.19 108.65 1t60 n GLY 150 Ca 0.17 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 1.12 -0.25 -2.17 4.61 0.00 -0.48 -4.98 120.51 118.36 1t60 n ALA 151 Ca -0.06 0.26 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 1t60 n ALA 151 Cb 0.40 -1.74 0.01 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.37 3.37 0.00 0.00 0.41 -0.87 -4.72 118.70 113.52 1t60 s GLU 152 Ca 0.00 0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.77 1t60 s GLU 152 Cb 0.00 -2.31 0.00 0.00 -1.78 0.00 0.00 34.13 30.04 1t60 s GLU 152 CO 0.00 -0.39 0.00 0.41 -0.49 0.00 0.00 175.26 174.79 1t60 n GLY 153 N -2.42 -0.83 2.14 -1.39 0.00 -1.26 -1.04 105.19 100.40 1t60 n GLY 153 Ca 0.02 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 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 0.31 -1.17 -2.41 1.61 3.41 -1.13 -4.70 113.62 109.55 1t60 n SER 154 Ca 0.00 -2.00 -0.11 0.00 -0.26 0.00 0.00 58.87 56.50 1t60 n SER 154 Cb 0.00 2.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.93 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 -0.32 2.58 3.63 5.00 0.00 -1.26 -1.83 105.19 112.98 1t60 n GLY 155 Ca -0.03 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.62 2.25 -0.11 1.61 -1.52 0.45 -4.76 119.66 114.97 1t60 s GLN 156 Ca 0.21 -1.23 -0.24 0.00 -1.95 0.00 0.00 55.36 52.16 1t60 s GLN 156 Cb -0.00 -2.25 -0.03 0.00 -0.22 0.00 0.00 33.01 30.51 1t60 s GLN 156 CO 0.15 0.43 0.73 0.00 -0.25 0.00 0.00 175.29 176.36 1t60 s ALA 157 N -1.84 3.40 0.19 6.09 0.00 -1.26 -4.89 121.76 123.46 1t60 s ALA 157 Ca 0.27 0.07 0.35 0.00 0.00 0.00 0.00 51.96 52.65 1t60 s ALA 157 Cb -0.09 -3.04 1.65 0.00 0.00 0.00 0.00 23.12 21.65 1t60 s ALA 157 CO 0.18 -0.31 2.06 -0.07 0.00 0.00 0.00 175.76 177.61 1t60 h LEU 158 N 7.35 0.00 -0.05 0.00 3.38 -1.95 -0.84 115.31 123.20 1t60 h LEU 158 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1t60 h LEU 158 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1t60 h LEU 158 CO 0.78 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 179.13 1t60 n ALA 159 N -2.03 2.79 -2.91 1.53 0.00 -1.26 -4.60 120.51 114.04 1t60 n ALA 159 Ca -0.01 -0.21 -0.30 0.00 0.00 0.00 0.00 53.44 52.92 1t60 n ALA 159 Cb 0.20 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.86 6.27 0.60 0.00 0.15 -0.32 -2.33 113.70 115.20 1t60 s SER 160 Ca 0.17 0.22 0.31 0.00 0.70 0.00 0.00 55.95 57.34 1t60 s SER 160 Cb 0.19 -1.90 1.83 0.00 -1.71 0.00 0.00 66.02 64.43 1t60 s SER 160 CO 0.57 0.14 2.23 -0.65 1.20 0.00 0.00 173.24 176.72 1t60 h PRO 161 N 2.87 0.00 0.00 5.44 0.11 -1.83 -1.92 132.00 136.67 1t60 h PRO 161 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.73 0.00 -0.00 0.78 -0.21 0.00 0.00 178.00 179.30 1t60 h GLY 162 N 0.00 0.00 -0.42 -0.55 0.00 -1.84 0.75 103.07 101.00 1t60 h GLY 162 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1t60 h GLY 162 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 163 N -3.48 1.13 -3.85 0.19 3.41 -0.72 -4.50 113.62 105.81 1t60 n SER 163 Ca -0.03 -1.66 -0.29 0.00 -0.26 0.00 0.00 58.87 56.63 1t60 n SER 163 Cb 0.08 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 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 4.47 0.25 0.00 1.43 -0.82 -4.71 118.68 118.77 1t60 s LEU 165 Ca 0.21 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.21 1t60 s LEU 165 Cb -0.17 -3.59 0.31 0.00 0.03 0.00 0.00 46.19 42.78 1t60 s LEU 165 CO -0.07 -0.17 1.62 -0.33 0.23 0.00 0.00 176.35 177.64 1t60 h GLU 166 N 5.73 0.37 -4.91 1.70 5.08 -1.88 0.39 114.58 121.06 1t60 h GLU 166 Ca -0.43 -0.20 -0.64 0.00 -1.00 0.00 0.00 59.36 57.10 1t60 h GLU 166 Cb 1.21 0.01 -0.35 0.00 0.50 0.00 0.00 28.75 30.12 1t60 h GLU 166 CO 0.73 0.75 -0.85 -2.00 -1.00 0.00 0.00 179.01 176.65 1t60 s GLU 167 N -4.09 2.64 0.22 2.33 2.12 -1.26 -4.67 118.70 115.99 1t60 s GLU 167 Ca -0.06 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 1t60 s GLU 167 Cb 0.13 -2.28 -0.09 0.00 0.26 0.00 0.00 34.13 32.15 1t60 s GLU 167 CO 0.80 -0.16 1.29 0.12 -0.54 0.00 0.00 175.26 176.78 1t60 s PHE 168 N 1.22 3.25 -0.08 5.30 2.19 -1.26 -4.99 117.98 123.60 1t60 s PHE 168 Ca 0.01 1.28 -0.04 0.00 0.33 0.00 0.00 56.93 58.51 1t60 s PHE 168 Cb -0.14 -3.59 0.04 0.00 -1.31 0.00 0.00 43.02 38.02 1t60 s PHE 168 CO -0.08 -1.79 0.19 1.03 1.83 0.00 0.00 175.22 176.40 1t60 s ARG 169 N -0.43 0.15 0.31 10.12 1.81 -1.26 -5.02 118.95 124.63 1t60 s ARG 169 Ca 0.55 0.43 0.00 0.00 -1.72 0.00 0.00 55.73 54.99 1t60 s ARG 169 Cb -0.37 -0.13 0.51 0.00 -0.45 0.00 0.00 34.95 34.51 1t60 s ARG 169 CO 0.40 -0.15 1.93 0.77 -0.68 0.00 0.00 175.30 177.57 1t60 h SER 170 N 7.11 0.78 -3.00 0.23 0.02 -1.99 -3.26 113.55 113.43 1t60 h SER 170 Ca -0.41 -0.07 -0.61 0.00 -0.84 0.00 0.00 61.79 59.86 1t60 h SER 170 Cb 1.15 -0.20 -0.41 0.00 0.14 0.00 0.00 62.40 63.08 1t60 h SER 170 CO 0.40 0.65 -0.68 0.00 -1.14 0.00 0.00 176.83 176.06 1t60 s ALA 171 N -5.55 3.13 -1.49 3.77 0.00 -1.26 -4.26 121.76 116.09 1t60 s ALA 171 Ca -0.10 -3.42 0.22 0.00 0.00 0.00 0.00 51.96 48.66 1t60 s ALA 171 Cb 0.17 -2.01 1.11 0.00 0.00 0.00 0.00 23.12 22.38 1t60 s ALA 171 CO 0.78 -2.06 1.69 -0.35 0.00 0.00 0.00 175.76 175.82 1t60 n PRO 172 N 2.32 0.35 -4.15 0.00 -0.04 -1.23 -4.85 135.00 127.38 1t60 n PRO 172 Ca 0.21 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1t60 n PRO 172 Cb 0.38 -1.50 -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 -2.51 0.85 0.13 0.54 -0.71 -1.26 -0.72 117.98 114.30 1t60 s PHE 173 Ca 0.22 -1.16 0.10 0.00 -1.04 0.00 0.00 56.93 55.05 1t60 s PHE 173 Cb 0.15 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.42 1t60 s PHE 173 CO 0.32 -0.43 -0.25 -1.50 -1.34 0.00 0.00 175.22 172.02 1t60 s ILE 174 N -3.94 2.12 -0.19 -4.49 2.07 -0.20 -4.77 121.20 111.79 1t60 s ILE 174 Ca 0.20 -1.74 -0.09 0.00 -1.41 0.00 0.00 60.65 57.61 1t60 s ILE 174 Cb 0.07 -1.90 -0.04 0.00 0.13 0.00 0.00 42.46 40.72 1t60 s ILE 174 CO -0.00 0.01 0.09 -0.70 -1.91 0.00 0.00 174.94 172.43 1t60 s GLU 175 N -2.12 4.06 0.19 3.50 2.12 -0.61 -2.51 118.70 123.33 1t60 s GLU 175 Ca 0.13 -0.29 0.10 0.00 0.36 0.00 0.00 54.97 55.26 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 0.06 0.27 -0.20 0.00 -0.54 0.00 0.00 175.26 174.85 1t60 s HIS 177 N -2.04 1.84 0.59 0.00 0.09 0.95 -1.91 115.29 114.81 1t60 s HIS 177 Ca 0.19 -0.50 0.29 0.00 -0.00 0.00 0.00 55.06 55.04 1t60 s HIS 177 Cb -0.06 -0.87 1.57 0.00 -0.00 0.00 0.00 32.58 33.22 1t60 s HIS 177 CO 0.08 0.40 2.00 0.78 -0.00 0.00 0.00 174.74 178.01 1t60 h GLY 178 N 2.78 0.00 2.00 -2.22 0.00 -1.63 0.14 103.07 104.14 1t60 h GLY 178 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1t60 h GLY 178 CO 0.57 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 177.02 1t60 h ARG 179 N 0.00 0.00 0.00 4.80 2.43 -1.87 -3.45 114.38 116.29 1t60 h ARG 179 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1t60 h ARG 179 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1t60 h ARG 179 CO -0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1t60 n GLY 180 N -0.15 0.88 3.92 2.80 0.00 0.48 -5.08 105.19 108.03 1t60 n GLY 180 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 5.35 0.05 2.61 -4.23 -1.25 -4.06 115.64 112.10 1t60 s THR 181 Ca 0.00 -0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.13 1t60 s THR 181 Cb 0.00 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1t60 s THR 181 CO 0.00 0.10 0.03 0.00 -0.54 0.00 0.00 174.62 174.20 1t60 n ASN 183 N 0.51 0.00 -4.70 0.00 5.15 0.86 -0.42 115.26 116.65 1t60 n ASN 183 Ca -0.17 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.46 1t60 n ASN 183 Cb 0.59 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.76 1t60 n ASN 183 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1t60 s TYR 184 N -2.00 3.31 0.07 1.20 1.51 -1.26 -1.57 117.35 118.61 1t60 s TYR 184 Ca 0.00 0.21 0.09 0.00 -1.01 0.00 0.00 57.07 56.35 1t60 s TYR 184 Cb 0.00 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1t60 s TYR 184 CO 0.00 0.35 -0.22 0.71 -1.11 0.00 0.00 175.55 175.28 1t60 s TYR 185 N -0.18 2.45 0.49 2.71 1.51 -1.26 -5.03 117.35 118.03 1t60 s TYR 185 Ca 0.08 -0.32 0.23 0.00 -1.01 0.00 0.00 57.07 56.05 1t60 s TYR 185 Cb -0.12 -1.39 1.28 0.00 -0.11 0.00 0.00 41.96 41.63 1t60 s TYR 185 CO 0.01 0.26 1.93 0.00 -1.11 0.00 0.00 175.55 176.64 1t60 h ALA 186 N 4.34 2.43 -0.00 3.71 0.00 -2.03 -2.40 119.26 125.32 1t60 h ALA 186 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1t60 h ALA 186 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t60 h ALA 186 CO 0.45 -0.64 -0.01 0.27 0.00 0.00 0.00 179.25 179.31 1t60 n ASN 187 N -4.40 0.16 -4.77 0.00 6.94 -1.26 -4.86 115.26 107.07 1t60 n ASN 187 Ca 0.14 -0.76 -0.39 0.00 -0.02 0.00 0.00 54.58 53.55 1t60 n ASN 187 Cb 0.68 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.98 1t60 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t60 s ALA 188 N -2.21 3.29 -0.00 -2.53 0.00 -0.91 -4.63 121.76 114.78 1t60 s ALA 188 Ca 0.40 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.36 1t60 s ALA 188 Cb 0.21 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 1t60 s ALA 188 CO 0.40 -0.43 -0.04 0.71 0.00 0.00 0.00 175.76 176.40 1t60 s TYR 189 N -1.31 0.33 -0.07 0.00 4.12 -0.29 -5.00 117.35 115.14 1t60 s TYR 189 Ca 0.52 -0.09 0.03 0.00 0.02 0.00 0.00 57.07 57.55 1t60 s TYR 189 Cb -0.32 -0.21 -0.02 0.00 -1.52 0.00 0.00 41.96 39.88 1t60 s TYR 189 CO 0.41 -0.01 -0.16 -1.54 0.02 0.00 0.00 175.55 174.27 1t60 s SER 190 N -0.18 3.82 -0.11 2.29 1.04 -1.26 -1.80 113.70 117.49 1t60 s SER 190 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1t60 s SER 190 Cb -0.02 -0.99 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 1t60 s SER 190 CO -0.00 0.29 -0.12 -0.36 0.98 0.00 0.00 173.24 174.03 1t60 s PHE 191 N -0.39 2.82 0.14 5.02 0.08 0.51 -4.98 117.98 121.18 1t60 s PHE 191 Ca 0.04 -0.48 0.06 0.00 0.12 0.00 0.00 56.93 56.67 1t60 s PHE 191 Cb -0.12 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1t60 s PHE 191 CO 0.02 -0.09 -0.13 -1.58 -0.10 0.00 0.00 175.22 173.34 1t60 s TRP 192 N 0.09 1.41 0.28 0.36 0.52 -1.26 -1.09 118.94 119.25 1t60 s TRP 192 Ca -0.05 -0.60 -0.29 0.00 0.02 0.00 0.00 56.10 55.18 1t60 s TRP 192 Cb -0.15 -0.72 -0.10 0.00 -1.15 0.00 0.00 33.47 31.36 1t60 s TRP 192 CO 0.04 0.16 1.19 -0.51 0.02 0.00 0.00 176.95 177.85 1t60 s LEU 193 N -2.70 4.49 0.50 2.99 1.43 -0.66 -4.88 118.68 119.85 1t60 s LEU 193 Ca 0.12 2.41 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 1t60 s LEU 193 Cb -0.03 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 1t60 s LEU 193 CO 0.03 -0.32 0.75 0.00 0.23 0.00 0.00 176.35 177.05 1t60 s ALA 194 N -0.95 3.58 0.12 4.21 0.00 -1.26 -1.30 121.76 126.16 1t60 s ALA 194 Ca 0.48 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 1t60 s ALA 194 Cb -0.35 -2.33 -0.07 0.00 0.00 0.00 0.00 23.12 20.38 1t60 s ALA 194 CO 0.44 -0.50 0.83 0.95 0.00 0.00 0.00 175.76 177.48 1t60 s THR 195 N -2.71 4.49 -0.05 0.00 -4.23 0.09 -4.44 115.64 108.80 1t60 s THR 195 Ca 0.50 1.80 0.03 0.00 -1.18 0.00 0.00 61.69 62.83 1t60 s THR 195 Cb -0.10 -4.19 0.01 0.00 1.34 0.00 0.00 72.50 69.56 1t60 s THR 195 CO 0.41 0.42 -0.11 -0.63 -0.54 0.00 0.00 174.62 174.17 1t60 s ILE 196 N -0.53 1.04 0.08 2.99 -1.09 0.55 -4.96 121.20 119.28 1t60 s ILE 196 Ca 0.40 -0.45 -0.10 0.00 -2.23 0.00 0.00 60.65 58.26 1t60 s ILE 196 Cb -0.23 -0.94 -0.06 0.00 -1.58 0.00 0.00 42.46 39.65 1t60 s ILE 196 CO 0.26 0.33 0.41 -1.61 -1.23 0.00 0.00 174.94 173.10 1t60 s GLU 197 N 0.48 3.78 0.19 2.79 0.41 -1.26 -4.77 118.70 120.31 1t60 s GLU 197 Ca -0.10 0.20 -0.18 0.00 -0.41 0.00 0.00 54.97 54.48 1t60 s GLU 197 Cb -0.13 -3.00 0.15 0.00 -1.78 0.00 0.00 34.13 29.37 1t60 s GLU 197 CO 0.02 0.56 1.62 0.00 -0.49 0.00 0.00 175.26 176.97 1t60 h ARG 198 N 3.73 -0.10 0.00 1.61 2.47 -2.00 0.57 114.38 120.66 1t60 h ARG 198 Ca -0.49 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1t60 h ARG 198 Cb 1.19 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1t60 h ARG 198 CO 0.66 -0.06 0.00 -1.13 0.56 0.00 0.00 179.97 180.00 1t60 n SER 199 N -5.42 0.42 -0.42 7.04 3.41 -1.26 -2.35 113.62 115.04 1t60 n SER 199 Ca 0.05 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 1t60 n SER 199 Cb 0.32 -0.70 0.06 0.00 -0.26 0.00 0.00 64.21 63.63 1t60 n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t60 n GLU 200 N -1.98 1.06 -0.13 4.33 -0.58 0.16 -4.52 120.64 118.98 1t60 n GLU 200 Ca 0.02 -0.84 -0.04 0.00 -0.42 0.00 0.00 57.16 55.88 1t60 n GLU 200 Cb 0.16 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.58 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 2.04 0.19 -1.22 3.49 2.86 -1.12 -2.84 114.93 118.33 1t60 h MET 201 Ca 0.00 -0.01 -0.64 0.00 -2.06 0.00 0.00 59.70 56.99 1t60 h MET 201 Cb 0.69 -0.04 -0.35 0.00 0.06 0.00 0.00 31.60 31.96 1t60 h MET 201 CO 0.00 0.12 0.10 1.19 1.06 0.00 0.00 176.91 179.38 1t60 n PHE 202 N -5.12 3.07 -4.25 -0.22 3.01 -1.26 -4.95 117.46 107.74 1t60 n PHE 202 Ca 0.03 -2.67 -0.17 0.00 1.01 0.00 0.00 57.45 55.66 1t60 n PHE 202 Cb 0.20 -0.81 -0.11 0.00 -0.01 0.00 0.00 39.48 38.76 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 -3.75 1.06 0.16 -1.08 1.02 -1.07 -5.10 119.74 110.97 1t60 s LYS 203 Ca 0.55 -1.32 -0.34 0.00 0.02 0.00 0.00 55.97 54.88 1t60 s LYS 203 Cb 0.45 -0.86 -0.13 0.00 -0.52 0.00 0.00 37.83 36.76 1t60 s LYS 203 CO -0.11 0.15 1.62 1.17 -0.92 0.00 0.00 175.35 177.26 1t60 n LYS 204 N 0.27 2.26 -1.86 1.68 4.81 -1.26 -4.89 118.16 119.17 1t60 n LYS 204 Ca -0.13 0.82 -0.41 0.00 -0.87 0.00 0.00 58.31 57.71 1t60 n LYS 204 Cb 0.58 -2.60 -0.01 0.00 0.02 0.00 0.00 35.03 33.02 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 1.14 4.16 -0.44 1.64 0.02 -1.26 -4.94 135.00 135.32 1t60 s PRO 205 Ca 0.79 2.50 -0.22 0.00 0.02 0.00 0.00 61.00 64.09 1t60 s PRO 205 Cb -0.65 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 30.90 1t60 s PRO 205 CO 0.38 -0.48 0.75 0.99 -0.33 0.00 0.00 177.00 178.30 1t60 s THR 206 N -0.97 4.70 0.45 0.99 2.01 -1.26 -5.02 115.64 116.54 1t60 s THR 206 Ca 0.53 0.37 -0.25 0.00 0.31 0.00 0.00 61.69 62.65 1t60 s THR 206 Cb -0.45 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 67.69 1t60 s THR 206 CO 0.59 -0.67 1.42 -2.65 -0.69 0.00 0.00 174.62 172.62 1t60 n PRO 207 N 6.58 2.23 -3.79 4.92 -0.02 -1.26 -5.02 135.00 138.64 1t60 n PRO 207 Ca 0.01 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1t60 n PRO 207 Cb 0.48 -2.62 -0.09 0.00 -0.02 0.00 0.00 33.50 31.25 1t60 n PRO 207 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1t60 s SER 208 N -0.48 -0.14 -0.21 2.55 1.04 -1.26 -5.13 113.70 110.07 1t60 s SER 208 Ca 0.61 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1t60 s SER 208 Cb -0.45 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.02 1t60 s SER 208 CO 0.57 -0.41 -0.06 -0.89 0.98 0.00 0.00 173.24 173.43 1t60 s THR 209 N -1.27 1.46 -0.10 2.02 2.01 -1.26 -5.12 115.64 113.37 1t60 s THR 209 Ca -0.13 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.80 1t60 s THR 209 Cb -0.06 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1t60 s THR 209 CO 0.03 0.01 0.03 -0.76 -0.69 0.00 0.00 174.62 173.25 1t60 s LEU 210 N 1.45 3.76 0.33 4.42 1.43 -1.26 -5.12 118.68 123.69 1t60 s LEU 210 Ca -0.03 0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1t60 s LEU 210 Cb -0.17 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1t60 s LEU 210 CO -0.07 0.36 0.16 -0.54 0.23 0.00 0.00 176.35 176.49 1t60 s LYS 211 N -0.76 2.44 0.36 1.70 1.02 -1.26 -4.88 119.74 118.37 1t60 s LYS 211 Ca 0.12 -1.48 -0.18 0.00 0.02 0.00 0.00 55.97 54.44 1t60 s LYS 211 Cb -0.12 -2.24 -0.14 0.00 -0.52 0.00 0.00 37.83 34.82 1t60 s LYS 211 CO 0.02 0.13 0.06 0.00 -0.92 0.00 0.00 175.35 174.64 1t60 n ALA 212 N -1.17 -2.79 0.00 5.17 0.00 -1.26 -1.38 120.51 119.07 1t60 n ALA 212 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1t60 n ALA 212 Cb 0.61 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 2.05 3.11 2.05 0.00 0.00 -1.26 -4.70 105.19 106.44 1t60 n GLY 213 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 1t60 n GLY 213 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t60 n GLU 214 N -2.00 1.25 -0.07 1.61 2.13 -0.48 -4.90 120.64 118.17 1t60 n GLU 214 Ca 0.00 -2.98 -0.06 0.00 0.66 0.00 0.00 57.16 54.78 1t60 n GLU 214 Cb 0.00 -1.06 -0.02 0.00 0.27 0.00 0.00 31.44 30.62 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1t60 h LEU 215 N 1.81 0.00 0.00 4.31 4.07 -1.84 -3.36 115.31 120.30 1t60 h LEU 215 Ca -0.11 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1t60 h LEU 215 Cb 1.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.25 1t60 h LEU 215 CO 0.19 0.80 0.00 0.54 -1.08 0.00 0.00 178.44 178.89 1t60 n ARG 216 N -4.61 0.10 0.40 1.13 1.74 -1.26 -3.19 116.66 110.97 1t60 n ARG 216 Ca -0.09 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.83 1t60 n ARG 216 Cb 0.29 -1.17 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 1t60 n ARG 216 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t60 h THR 217 N 0.00 0.00 -0.25 0.55 1.03 -1.93 -3.20 112.91 109.11 1t60 h THR 217 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1t60 h THR 217 Cb 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.08 1t60 h THR 217 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 175.52 176.92 1t60 n HIS 218 N -5.24 0.40 -3.35 0.00 8.25 -1.19 -4.89 115.22 109.21 1t60 n HIS 218 Ca -0.13 -0.18 -0.39 0.00 -0.26 0.00 0.00 57.72 56.76 1t60 n HIS 218 Cb 0.41 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.41 1t60 n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t60 s VAL 219 N -1.65 5.17 0.45 1.59 1.01 -1.21 -0.73 120.40 125.03 1t60 s VAL 219 Ca 0.17 0.76 -0.25 0.00 0.00 0.00 0.00 61.98 62.67 1t60 s VAL 219 Cb 0.10 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1t60 s VAL 219 CO 0.11 0.22 1.34 -0.55 0.00 0.00 0.00 175.10 176.22 1t60 s SER 220 N 1.14 5.95 0.29 3.32 0.15 -0.42 -4.75 113.70 119.38 1t60 s SER 220 Ca 0.20 2.73 0.06 0.00 0.70 0.00 0.00 55.95 59.64 1t60 s SER 220 Cb -0.15 -2.64 -0.02 0.00 -1.71 0.00 0.00 66.02 61.50 1t60 s SER 220 CO 0.09 -1.11 0.42 -0.13 1.20 0.00 0.00 173.24 173.71 1t60 s ARG 221 N -2.48 3.27 0.21 5.44 1.81 -1.07 -1.17 118.95 124.96 1t60 s ARG 221 Ca 0.62 -0.89 -0.11 0.00 -1.72 0.00 0.00 55.73 53.63 1t60 s ARG 221 Cb -0.40 -2.85 -0.01 0.00 -0.45 0.00 0.00 34.95 31.25 1t60 s ARG 221 CO 0.50 0.23 0.39 0.00 -0.68 0.00 0.00 175.30 175.74 1t60 s GLN 223 N -4.00 0.21 -0.19 0.00 0.74 -0.78 -1.42 119.66 114.22 1t60 s GLN 223 Ca 0.21 0.32 -0.14 0.00 0.05 0.00 0.00 55.36 55.80 1t60 s GLN 223 Cb 0.01 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 1t60 s GLN 223 CO 0.06 -0.06 0.32 0.08 -0.55 0.00 0.00 175.29 175.13 1t60 s VAL 224 N 0.36 5.27 0.10 1.34 1.01 0.87 -1.49 120.40 127.86 1t60 s VAL 224 Ca -0.02 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1t60 s VAL 224 Cb -0.04 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1t60 s VAL 224 CO -0.02 0.33 -0.20 0.00 0.00 0.00 0.00 175.10 175.22 1t60 s MET 226 N -1.90 2.13 0.00 0.00 -2.45 0.05 -0.07 119.30 117.05 1t60 s MET 226 Ca 0.05 -0.77 0.00 0.00 -1.25 0.00 0.00 55.69 53.73 1t60 s MET 226 Cb -0.10 -1.85 0.00 0.00 1.25 0.00 0.00 34.83 34.13 1t60 s MET 226 CO 0.04 0.34 0.49 -2.13 1.05 0.00 0.00 175.02 174.80