#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3x s THR 2 N 0.00 1.93 -0.50 0.61 2.01 0.63 -4.78 115.64 115.55 2a3x s THR 2 Ca 0.00 -1.00 -0.25 0.00 0.31 0.00 0.00 61.69 60.75 2a3x s THR 2 Cb 0.00 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.90 2a3x s THR 2 CO 0.00 0.54 0.92 -0.62 -0.69 0.00 0.00 174.62 174.77 2a3x s ASP 3 N -0.13 6.42 -0.30 3.53 2.15 -1.26 -0.74 116.67 126.34 2a3x s ASP 3 Ca -0.03 -0.12 0.11 0.00 0.43 0.00 0.00 52.55 52.94 2a3x s ASP 3 Cb -0.13 -2.44 0.72 0.00 -0.30 0.00 0.00 42.92 40.77 2a3x s ASP 3 CO 0.03 -1.13 1.75 0.18 -0.17 0.00 0.00 175.17 175.84 2a3x n LEU 4 N 7.28 5.74 -4.67 -1.34 4.32 -0.80 -4.99 117.00 122.55 2a3x n LEU 4 Ca 0.04 -3.22 -0.44 0.00 -0.02 0.00 0.00 56.01 52.37 2a3x n LEU 4 Cb 0.48 -0.72 -0.04 0.00 -1.62 0.00 0.00 43.42 41.53 2a3x n LEU 4 CO 0.64 0.81 1.54 -1.20 -1.22 0.00 0.00 177.39 177.96 2a3x n SER 5 N -0.20 3.91 -0.22 -1.43 7.64 -1.26 -2.28 113.62 119.78 2a3x n SER 5 Ca 0.38 0.94 -0.03 0.00 1.01 0.00 0.00 58.87 61.17 2a3x n SER 5 Cb 1.31 -1.48 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 2a3x n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3x n GLY 6 N 4.43 0.61 3.29 0.23 0.00 -1.26 -5.01 105.19 107.48 2a3x n GLY 6 Ca 0.20 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 2a3x n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3x s LYS 7 N -1.77 1.18 0.09 1.61 1.02 -0.96 -0.19 119.74 120.72 2a3x s LYS 7 Ca 0.00 -1.49 0.04 0.00 0.02 0.00 0.00 55.97 54.54 2a3x s LYS 7 Cb 0.00 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.39 2a3x s LYS 7 CO 0.00 0.14 -0.11 0.14 -0.92 0.00 0.00 175.35 174.60 2a3x s VAL 8 N -3.02 1.02 -0.22 3.17 -7.23 0.90 -4.54 120.40 110.47 2a3x s VAL 8 Ca 0.19 -1.56 -0.24 0.00 -1.81 0.00 0.00 61.98 58.55 2a3x s VAL 8 Cb 0.00 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 2a3x s VAL 8 CO 0.04 -0.46 0.81 -0.36 -0.31 0.00 0.00 175.10 174.81 2a3x s PHE 9 N -2.12 3.34 -0.23 2.82 0.08 -0.19 -1.87 117.98 119.80 2a3x s PHE 9 Ca 0.04 1.13 -0.08 0.00 0.12 0.00 0.00 56.93 58.14 2a3x s PHE 9 Cb -0.05 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 2a3x s PHE 9 CO 0.01 -0.35 0.09 0.54 -0.10 0.00 0.00 175.22 175.42 2a3x s VAL 10 N 2.61 4.69 -0.72 -0.44 0.11 0.68 -1.93 120.40 125.39 2a3x s VAL 10 Ca 0.35 -0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.20 2a3x s VAL 10 Cb -0.16 -3.17 0.18 0.00 -1.53 0.00 0.00 36.38 31.70 2a3x s VAL 10 CO 0.09 0.36 0.68 -0.36 -3.33 0.00 0.00 175.10 172.53 2a3x s PHE 11 N 1.22 3.55 -0.41 1.54 0.40 0.67 -1.67 117.98 123.28 2a3x s PHE 11 Ca 0.05 -1.71 0.26 0.00 -0.60 0.00 0.00 56.93 54.94 2a3x s PHE 11 Cb -0.14 -3.82 0.94 0.00 0.51 0.00 0.00 43.02 40.50 2a3x s PHE 11 CO 0.04 -1.01 1.78 -1.35 0.70 0.00 0.00 175.22 175.37 2a3x h PRO 12 N 8.22 0.00 -2.61 0.24 0.11 -1.83 -0.40 132.00 135.73 2a3x h PRO 12 Ca -0.05 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 2a3x h PRO 12 Cb 1.06 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.97 2a3x h PRO 12 CO 0.87 0.00 -0.09 -0.98 -0.21 0.00 0.00 178.00 177.59 2a3x s ARG 13 N -3.33 0.81 0.01 1.05 1.70 -1.26 -4.93 118.95 113.01 2a3x s ARG 13 Ca 0.06 0.03 -0.30 0.00 -0.47 0.00 0.00 55.73 55.04 2a3x s ARG 13 Cb 0.09 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 2a3x s ARG 13 CO 0.51 -0.23 2.01 -2.00 -1.08 0.00 0.00 175.30 174.51 2a3x s GLU 14 N -1.20 4.03 0.25 3.89 2.12 -1.26 -4.80 118.70 121.73 2a3x s GLU 14 Ca -0.12 2.57 -0.09 0.00 0.36 0.00 0.00 54.97 57.69 2a3x s GLU 14 Cb -0.03 -4.19 -0.01 0.00 0.26 0.00 0.00 34.13 30.16 2a3x s GLU 14 CO 0.06 -1.08 0.40 -1.54 -0.54 0.00 0.00 175.26 172.56 2a3x s SER 15 N 4.89 0.08 -0.19 -1.70 1.04 -1.26 -5.03 113.70 111.53 2a3x s SER 15 Ca 0.90 -1.10 0.14 0.00 0.48 0.00 0.00 55.95 56.37 2a3x s SER 15 Cb -0.42 0.55 0.40 0.00 0.10 0.00 0.00 66.02 66.65 2a3x s SER 15 CO 0.41 -1.09 1.25 0.55 0.98 0.00 0.00 173.24 175.34 2a3x n VAL 16 N -0.38 2.16 0.01 5.02 3.14 -1.26 -4.51 118.33 122.51 2a3x n VAL 16 Ca -0.00 -2.76 0.00 0.00 -2.96 0.00 0.00 64.34 58.62 2a3x n VAL 16 Cb 0.63 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 2a3x n VAL 16 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2a3x n THR 17 N -1.18 0.07 -2.18 1.55 -1.04 -1.26 -4.85 114.28 105.39 2a3x n THR 17 Ca 0.20 0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.81 2a3x n THR 17 Cb 0.74 -1.14 -0.02 0.00 -1.82 0.00 0.00 70.33 68.08 2a3x n THR 17 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2a3x s ASP 18 N -5.06 6.22 0.01 8.00 1.01 -1.26 -4.60 116.67 121.00 2a3x s ASP 18 Ca 0.00 1.21 -0.10 0.00 0.71 0.00 0.00 52.55 54.37 2a3x s ASP 18 Cb 0.00 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2a3x s ASP 18 CO 0.00 -1.46 0.19 -1.38 0.21 0.00 0.00 175.17 172.74 2a3x s HIS 19 N 5.78 -0.01 -0.25 4.23 -3.43 -0.06 -4.26 115.29 117.29 2a3x s HIS 19 Ca 0.70 -0.07 -0.07 0.00 -0.80 0.00 0.00 55.06 54.81 2a3x s HIS 19 Cb -0.20 -0.01 -0.03 0.00 -1.43 0.00 0.00 32.58 30.92 2a3x s HIS 19 CO 0.31 -0.34 0.06 0.08 -2.00 0.00 0.00 174.74 172.86 2a3x s VAL 20 N -1.63 4.26 -0.12 -5.38 1.01 -0.15 -0.98 120.40 117.40 2a3x s VAL 20 Ca -0.12 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2a3x s VAL 20 Cb -0.06 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 2a3x s VAL 20 CO 0.01 0.34 0.90 0.20 0.00 0.00 0.00 175.10 176.55 2a3x s ASN 21 N 1.61 7.10 -0.13 3.32 0.01 -0.20 -0.44 114.94 126.20 2a3x s ASN 21 Ca 0.06 1.34 -0.07 0.00 -0.71 0.00 0.00 52.86 53.49 2a3x s ASN 21 Cb -0.15 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 2a3x s ASN 21 CO 0.03 -0.38 0.11 -0.76 -1.51 0.00 0.00 177.10 174.59 2a3x s LEU 22 N 1.90 4.21 0.01 0.60 1.02 0.48 -0.65 118.68 126.26 2a3x s LEU 22 Ca 0.43 0.35 0.06 0.00 0.02 0.00 0.00 54.13 55.00 2a3x s LEU 22 Cb -0.18 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 43.98 2a3x s LEU 22 CO 0.16 0.35 -0.19 0.27 0.02 0.00 0.00 176.35 176.96 2a3x s ILE 23 N -0.66 1.52 -0.05 -0.59 -4.36 -0.92 -3.87 121.20 112.28 2a3x s ILE 23 Ca 0.13 -0.97 -0.09 0.00 -0.26 0.00 0.00 60.65 59.46 2a3x s ILE 23 Cb -0.12 -1.30 0.02 0.00 1.25 0.00 0.00 42.46 42.31 2a3x s ILE 23 CO 0.02 0.30 0.21 0.28 0.24 0.00 0.00 174.94 175.99 2a3x s THR 24 N -0.62 0.03 -0.35 8.37 -1.32 -1.26 -4.43 115.64 116.07 2a3x s THR 24 Ca 0.07 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2a3x s THR 24 Cb -0.08 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 2a3x s THR 24 CO 0.00 -0.16 0.59 -0.81 -2.21 0.00 0.00 174.62 172.04 2a3x n PRO 25 N 2.23 0.72 -2.77 7.08 -0.04 -1.26 -4.83 135.00 136.13 2a3x n PRO 25 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 2a3x n PRO 25 Cb 0.57 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 2a3x n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2a3x s LEU 26 N 0.00 3.94 0.00 1.53 2.96 -1.26 -4.80 118.68 121.04 2a3x s LEU 26 Ca 0.00 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 2a3x s LEU 26 Cb 0.00 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.39 2a3x s LEU 26 CO 0.00 -0.99 0.27 1.21 -1.32 0.00 0.00 176.35 175.52 2a3x n GLU 27 N 7.09 0.71 -3.39 1.98 4.07 -1.26 -3.72 120.64 126.13 2a3x n GLU 27 Ca 0.08 -0.27 -0.37 0.00 -0.06 0.00 0.00 57.16 56.53 2a3x n GLU 27 Cb 0.48 -0.74 -0.06 0.00 -0.06 0.00 0.00 31.44 31.06 2a3x n GLU 27 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2a3x s LYS 28 N -0.18 4.30 0.44 5.31 2.20 -1.26 -4.82 119.74 125.72 2a3x s LYS 28 Ca 0.00 0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 55.70 2a3x s LYS 28 Cb 0.00 -3.42 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 2a3x s LYS 28 CO 0.00 0.20 1.43 -2.30 -0.36 0.00 0.00 175.35 174.32 2a3x n PRO 29 N 3.56 2.30 -2.55 4.03 -0.02 -1.26 -4.73 135.00 136.34 2a3x n PRO 29 Ca -0.09 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2a3x n PRO 29 Cb 0.52 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 2a3x n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2a3x s LEU 30 N -2.47 4.51 -0.07 2.45 1.02 -0.01 -4.89 118.68 119.21 2a3x s LEU 30 Ca 0.60 2.07 -0.04 0.00 0.02 0.00 0.00 54.13 56.78 2a3x s LEU 30 Cb -0.46 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.11 2a3x s LEU 30 CO 0.59 -0.17 -0.10 1.67 0.02 0.00 0.00 176.35 178.36 2a3x n GLN 31 N 2.22 0.16 -4.55 1.70 7.27 -1.26 -1.76 117.38 121.16 2a3x n GLN 31 Ca 0.02 0.07 -0.27 0.00 0.07 0.00 0.00 57.00 56.89 2a3x n GLN 31 Cb 0.46 -0.77 -0.14 0.00 2.41 0.00 0.00 30.24 32.21 2a3x n GLN 31 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2a3x s ASN 32 N -5.70 2.91 -0.09 1.69 0.01 -1.26 -2.52 114.94 109.97 2a3x s ASN 32 Ca -0.11 -0.64 -0.30 0.00 -0.71 0.00 0.00 52.86 51.10 2a3x s ASN 32 Cb 0.04 -0.21 0.09 0.00 0.41 0.00 0.00 41.25 41.57 2a3x s ASN 32 CO 0.13 0.17 0.77 0.72 -1.51 0.00 0.00 177.10 177.38 2a3x s PHE 33 N -0.96 -0.59 -0.02 2.20 -0.12 -0.99 -3.65 117.98 113.85 2a3x s PHE 33 Ca 0.10 1.05 0.06 0.00 -0.05 0.00 0.00 56.93 58.09 2a3x s PHE 33 Cb -0.10 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 2a3x s PHE 33 CO 0.04 -0.52 -0.20 0.99 -0.05 0.00 0.00 175.22 175.47 2a3x s THR 34 N -1.05 1.60 -0.04 -4.49 2.01 -0.83 -1.63 115.64 111.21 2a3x s THR 34 Ca -0.08 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2a3x s THR 34 Cb -0.00 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2a3x s THR 34 CO 0.07 0.45 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.14 2a3x s LEU 35 N -0.40 1.66 0.01 4.42 2.96 0.46 -0.89 118.68 126.89 2a3x s LEU 35 Ca 0.06 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2a3x s LEU 35 Cb -0.09 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 2a3x s LEU 35 CO -0.00 0.04 -0.04 0.00 -1.32 0.00 0.00 176.35 175.03 2a3x s PHE 37 N -0.49 -0.13 -0.12 0.00 -0.71 -0.25 -0.97 117.98 115.31 2a3x s PHE 37 Ca -0.03 -0.37 -0.00 0.00 -1.04 0.00 0.00 56.93 55.48 2a3x s PHE 37 Cb -0.04 0.74 -0.02 0.00 -1.21 0.00 0.00 43.02 42.49 2a3x s PHE 37 CO -0.00 -1.30 -0.11 1.03 -1.34 0.00 0.00 175.22 173.50 2a3x s ARG 38 N -3.59 3.28 0.02 1.99 0.52 0.41 -0.79 118.95 120.79 2a3x s ARG 38 Ca 0.12 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 2a3x s ARG 38 Cb -0.06 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 2a3x s ARG 38 CO 0.08 0.31 -0.17 0.00 0.02 0.00 0.00 175.30 175.53 2a3x s ALA 39 N 0.13 1.42 -0.17 2.13 0.00 -0.45 -1.16 121.76 123.66 2a3x s ALA 39 Ca -0.05 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 2a3x s ALA 39 Cb -0.15 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.72 2a3x s ALA 39 CO 0.04 0.32 0.01 -0.47 0.00 0.00 0.00 175.76 175.66 2a3x s TYR 40 N -0.61 1.22 -0.12 0.00 5.04 0.09 -0.88 117.35 122.09 2a3x s TYR 40 Ca 0.05 -0.88 -0.15 0.00 -2.44 0.00 0.00 57.07 53.66 2a3x s TYR 40 Cb -0.07 -1.09 0.04 0.00 0.35 0.00 0.00 41.96 41.18 2a3x s TYR 40 CO 0.00 -0.58 0.39 0.45 -1.34 0.00 0.00 175.55 174.47 2a3x s SER 41 N 1.79 -0.37 0.00 4.32 0.15 -1.26 -0.20 113.70 118.13 2a3x s SER 41 Ca -0.00 0.64 0.23 0.00 0.70 0.00 0.00 55.95 57.52 2a3x s SER 41 Cb -0.16 0.69 0.57 0.00 -1.71 0.00 0.00 66.02 65.41 2a3x s SER 41 CO -0.07 -0.22 1.49 -0.90 1.20 0.00 0.00 173.24 174.74 2a3x n ASP 42 N 2.45 3.80 -4.66 5.45 5.68 -1.26 -4.59 116.55 123.42 2a3x n ASP 42 Ca -0.15 -2.00 -0.42 0.00 -0.50 0.00 0.00 54.79 51.72 2a3x n ASP 42 Cb 0.57 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 40.12 2a3x n ASP 42 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2a3x s LEU 43 N -1.19 4.39 0.13 -2.12 2.96 -1.26 -4.89 118.68 116.70 2a3x s LEU 43 Ca 0.46 2.52 -0.07 0.00 -0.22 0.00 0.00 54.13 56.81 2a3x s LEU 43 Cb 0.25 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.33 2a3x s LEU 43 CO 0.33 -1.00 1.34 -1.28 -1.32 0.00 0.00 176.35 174.42 2a3x h SER 44 N 10.08 0.70 -2.20 3.68 0.87 -2.00 -3.47 113.55 121.21 2a3x h SER 44 Ca -0.46 -0.49 -0.09 0.00 -1.23 0.00 0.00 61.79 59.53 2a3x h SER 44 Cb 1.21 -0.21 0.04 0.00 -0.44 0.00 0.00 62.40 63.00 2a3x h SER 44 CO 0.95 1.26 0.06 -2.11 -0.53 0.00 0.00 176.83 176.46 2a3x n ARG 45 N -3.86 -0.68 -2.92 2.24 1.85 -1.26 -4.67 116.66 107.36 2a3x n ARG 45 Ca -0.06 -0.40 -0.38 0.00 -1.00 0.00 0.00 57.85 56.00 2a3x n ARG 45 Cb 0.76 -0.30 -0.06 0.00 -1.05 0.00 0.00 32.46 31.81 2a3x n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2a3x s ALA 46 N -3.64 3.36 0.12 2.89 0.00 -1.24 -4.72 121.76 118.52 2a3x s ALA 46 Ca 0.15 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 2a3x s ALA 46 Cb -0.01 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 20.13 2a3x s ALA 46 CO 0.11 0.26 0.48 1.52 0.00 0.00 0.00 175.76 178.13 2a3x s TYR 47 N -1.36 -0.34 -0.11 0.00 -0.85 -0.67 -4.32 117.35 109.70 2a3x s TYR 47 Ca 0.42 0.13 -0.16 0.00 -0.52 0.00 0.00 57.07 56.94 2a3x s TYR 47 Cb -0.21 0.36 -0.05 0.00 0.38 0.00 0.00 41.96 42.44 2a3x s TYR 47 CO 0.25 -0.73 0.41 0.45 -1.52 0.00 0.00 175.55 174.42 2a3x s SER 48 N -2.61 6.64 -0.16 -0.18 0.15 -1.00 -0.90 113.70 115.63 2a3x s SER 48 Ca 0.01 0.76 -0.26 0.00 0.70 0.00 0.00 55.95 57.15 2a3x s SER 48 Cb 0.01 -2.25 -0.23 0.00 -1.71 0.00 0.00 66.02 61.83 2a3x s SER 48 CO -0.10 0.09 0.58 -0.07 1.20 0.00 0.00 173.24 174.95 2a3x h LEU 49 N 6.30 0.00 -7.24 3.45 -0.00 -1.59 -3.41 115.31 112.82 2a3x h LEU 49 Ca -0.43 -0.83 -0.39 0.00 -0.00 0.00 0.00 57.88 56.22 2a3x h LEU 49 Cb 1.18 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.45 2a3x h LEU 49 CO 0.73 1.14 -0.74 0.12 -0.00 0.00 0.00 178.44 179.68 2a3x s PHE 50 N -2.25 0.10 -0.15 1.13 2.19 -1.08 -4.50 117.98 113.42 2a3x s PHE 50 Ca -0.22 0.10 0.01 0.00 0.33 0.00 0.00 56.93 57.16 2a3x s PHE 50 Cb -0.00 -0.54 -0.00 0.00 -1.31 0.00 0.00 43.02 41.17 2a3x s PHE 50 CO 0.65 -0.28 -0.17 0.45 1.83 0.00 0.00 175.22 177.70 2a3x s SER 51 N 2.16 3.59 -0.19 6.13 0.15 -1.08 -1.62 113.70 122.84 2a3x s SER 51 Ca 0.04 -0.48 -0.04 0.00 0.70 0.00 0.00 55.95 56.18 2a3x s SER 51 Cb -0.13 -1.54 0.06 0.00 -1.71 0.00 0.00 66.02 62.70 2a3x s SER 51 CO -0.05 0.10 0.07 -0.47 1.20 0.00 0.00 173.24 174.09 2a3x s TYR 52 N 0.72 0.56 0.03 3.44 6.14 -0.67 -1.01 117.35 126.56 2a3x s TYR 52 Ca -0.07 -0.58 0.06 0.00 0.64 0.00 0.00 57.07 57.11 2a3x s TYR 52 Cb -0.16 -0.85 -0.02 0.00 0.42 0.00 0.00 41.96 41.35 2a3x s TYR 52 CO 0.01 -0.57 -0.17 -0.80 0.64 0.00 0.00 175.55 174.67 2a3x s ASN 53 N 2.02 1.96 0.35 4.32 -0.87 -0.71 -1.80 114.94 120.20 2a3x s ASN 53 Ca 0.01 -0.43 0.09 0.00 -1.57 0.00 0.00 52.86 50.96 2a3x s ASN 53 Cb -0.16 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.25 40.84 2a3x s ASN 53 CO -0.10 0.12 -0.05 0.42 -2.57 0.00 0.00 177.10 174.91 2a3x s THR 54 N -0.70 2.29 -0.33 1.60 -4.23 -0.90 -0.94 115.64 112.42 2a3x s THR 54 Ca 0.05 -2.12 -0.38 0.00 -1.18 0.00 0.00 61.69 58.05 2a3x s THR 54 Cb -0.08 -2.73 -0.14 0.00 1.34 0.00 0.00 72.50 70.89 2a3x s THR 54 CO 0.01 -0.17 1.98 1.67 -0.54 0.00 0.00 174.62 177.57 2a3x n GLN 55 N -0.86 1.01 -0.92 3.99 -0.06 -1.26 -0.75 117.38 118.52 2a3x n GLN 55 Ca -0.05 0.33 0.00 0.00 -2.00 0.00 0.00 57.00 55.28 2a3x n GLN 55 Cb 0.64 -2.19 0.00 0.00 -4.06 0.00 0.00 30.24 24.63 2a3x n GLN 55 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2a3x n GLY 56 N 5.59 0.37 3.02 1.69 0.00 -1.26 -4.97 105.19 109.63 2a3x n GLY 56 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 2a3x n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a3x s ARG 57 N -0.74 2.11 0.14 1.61 1.81 0.07 -5.13 118.95 118.82 2a3x s ARG 57 Ca 0.00 -1.01 -0.09 0.00 -1.72 0.00 0.00 55.73 52.91 2a3x s ARG 57 Cb 0.00 -2.59 -0.06 0.00 -0.45 0.00 0.00 34.95 31.85 2a3x s ARG 57 CO 0.00 -0.47 0.45 0.34 -0.68 0.00 0.00 175.30 174.94 2a3x s ASP 58 N 1.30 6.63 -1.43 0.23 2.15 -1.26 -2.13 116.67 122.17 2a3x s ASP 58 Ca -0.04 0.82 -0.07 0.00 0.43 0.00 0.00 52.55 53.69 2a3x s ASP 58 Cb -0.17 -2.19 0.04 0.00 -0.30 0.00 0.00 42.92 40.30 2a3x s ASP 58 CO -0.07 0.08 0.82 0.59 -0.17 0.00 0.00 175.17 176.41 2a3x n ASN 59 N 0.47 -2.88 0.13 -0.34 4.13 -1.26 -4.24 115.26 111.26 2a3x n ASN 59 Ca -0.04 -0.81 -0.14 0.00 1.68 0.00 0.00 54.58 55.27 2a3x n ASN 59 Cb 0.52 -3.91 -0.08 0.00 -1.54 0.00 0.00 39.78 34.77 2a3x n ASN 59 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2a3x h GLU 60 N -1.97 -0.27 -3.55 3.52 4.57 -1.67 -2.26 114.58 112.95 2a3x h GLU 60 Ca -0.60 0.02 -0.42 0.00 -1.18 0.00 0.00 59.36 57.18 2a3x h GLU 60 Cb 1.37 0.06 -0.39 0.00 -0.16 0.00 0.00 28.75 29.63 2a3x h GLU 60 CO 0.62 -0.08 -0.76 -1.17 -1.18 0.00 0.00 179.01 176.45 2a3x s LEU 61 N -9.89 0.44 -0.10 1.64 2.96 -0.75 0.73 118.68 113.72 2a3x s LEU 61 Ca -0.15 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 2a3x s LEU 61 Cb 0.04 -0.34 0.04 0.00 0.50 0.00 0.00 46.19 46.44 2a3x s LEU 61 CO 0.63 -0.22 0.23 -0.22 -1.32 0.00 0.00 176.35 175.45 2a3x s LEU 62 N 2.04 0.47 -0.34 -0.68 2.96 -0.43 -1.66 118.68 121.04 2a3x s LEU 62 Ca 0.05 0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 54.34 2a3x s LEU 62 Cb -0.12 0.69 0.01 0.00 0.50 0.00 0.00 46.19 47.26 2a3x s LEU 62 CO -0.05 -0.16 0.19 -0.69 -1.32 0.00 0.00 176.35 174.32 2a3x s VAL 63 N 1.22 4.68 -0.01 1.68 1.01 -0.64 0.24 120.40 128.58 2a3x s VAL 63 Ca -0.09 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2a3x s VAL 63 Cb -0.10 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2a3x s VAL 63 CO -0.08 -0.08 -0.18 -0.47 0.00 0.00 0.00 175.10 174.30 2a3x s TYR 64 N 1.60 1.61 -0.28 5.22 5.04 -0.25 -1.37 117.35 128.92 2a3x s TYR 64 Ca 0.04 -0.31 -0.06 0.00 -2.44 0.00 0.00 57.07 54.30 2a3x s TYR 64 Cb -0.18 -1.03 0.01 0.00 0.35 0.00 0.00 41.96 41.11 2a3x s TYR 64 CO 0.07 -0.02 0.05 0.21 -1.34 0.00 0.00 175.55 174.51 2a3x s LYS 65 N -0.44 3.08 -0.02 4.97 2.20 -0.08 -1.42 119.74 128.02 2a3x s LYS 65 Ca 0.07 -0.86 -0.20 0.00 -0.36 0.00 0.00 55.97 54.62 2a3x s LYS 65 Cb -0.07 -3.29 -0.31 0.00 -1.51 0.00 0.00 37.83 32.65 2a3x s LYS 65 CO -0.01 -0.42 0.94 0.93 -0.36 0.00 0.00 175.35 176.44 2a3x h GLU 66 N 8.19 0.37 0.00 4.03 5.08 -1.84 -1.79 114.58 128.62 2a3x h GLU 66 Ca -0.32 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.45 2a3x h GLU 66 Cb 1.13 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2a3x h GLU 66 CO 0.60 1.27 0.00 2.89 -1.00 0.00 0.00 179.01 182.77 2a3x n ARG 67 N -4.05 0.00 -2.18 2.33 1.85 -1.26 -3.68 116.66 109.67 2a3x n ARG 67 Ca -0.14 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.29 2a3x n ARG 67 Cb 0.86 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.24 2a3x n ARG 67 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2a3x s VAL 68 N -2.91 3.23 -1.26 8.89 1.01 -1.26 -2.83 120.40 125.27 2a3x s VAL 68 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2a3x s VAL 68 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2a3x s VAL 68 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2a3x n GLY 69 N 3.02 0.27 2.66 4.51 0.00 -1.26 -4.97 105.19 109.43 2a3x n GLY 69 Ca 0.09 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 2a3x n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3x s GLU 70 N -4.25 0.02 -0.05 1.61 2.02 -1.13 -1.26 118.70 115.66 2a3x s GLU 70 Ca 0.00 0.22 0.06 0.00 0.02 0.00 0.00 54.97 55.27 2a3x s GLU 70 Cb 0.00 -0.94 -0.01 0.00 0.10 0.00 0.00 34.13 33.28 2a3x s GLU 70 CO 0.00 -0.43 -0.25 0.71 0.02 0.00 0.00 175.26 175.31 2a3x s TYR 71 N 2.14 2.42 -0.05 1.61 1.51 -0.75 -3.57 117.35 120.67 2a3x s TYR 71 Ca 0.04 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.46 2a3x s TYR 71 Cb -0.13 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2a3x s TYR 71 CO -0.05 -0.19 -0.15 -1.12 -1.11 0.00 0.00 175.55 172.93 2a3x s SER 72 N -0.24 1.97 -0.14 2.29 0.01 -0.51 -1.32 113.70 115.76 2a3x s SER 72 Ca -0.01 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 2a3x s SER 72 Cb -0.13 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.38 2a3x s SER 72 CO 0.03 0.10 -0.09 -0.22 0.41 0.00 0.00 173.24 173.47 2a3x s LEU 73 N 0.29 2.93 -0.26 2.44 2.96 -0.60 -1.09 118.68 125.35 2a3x s LEU 73 Ca -0.08 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 2a3x s LEU 73 Cb -0.13 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2a3x s LEU 73 CO 0.03 0.17 0.09 -0.31 -1.32 0.00 0.00 176.35 175.01 2a3x s TYR 74 N 0.31 3.11 -0.20 5.38 1.51 0.14 -0.79 117.35 126.81 2a3x s TYR 74 Ca -0.08 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2a3x s TYR 74 Cb -0.15 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.44 2a3x s TYR 74 CO 0.05 -0.34 -0.12 0.42 -1.11 0.00 0.00 175.55 174.44 2a3x s ILE 75 N 1.63 2.76 -1.50 2.71 -1.09 0.53 -1.31 121.20 124.93 2a3x s ILE 75 Ca 0.06 -0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 2a3x s ILE 75 Cb -0.15 -2.22 0.02 0.00 -1.58 0.00 0.00 42.46 38.53 2a3x s ILE 75 CO 0.05 0.48 0.64 0.61 -1.23 0.00 0.00 174.94 175.48 2a3x n GLY 76 N 4.66 -0.52 1.73 6.18 0.00 0.23 -2.19 105.19 115.28 2a3x n GLY 76 Ca -0.19 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2a3x n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3x n ARG 77 N -4.07 0.00 -1.90 1.61 1.74 -0.85 -4.96 116.66 108.23 2a3x n ARG 77 Ca -0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.67 2a3x n ARG 77 Cb 0.60 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.07 2a3x n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2a3x s HIS 78 N -1.42 2.95 0.05 -1.55 3.76 -0.93 -5.02 115.29 113.12 2a3x s HIS 78 Ca 0.00 1.50 -0.00 0.00 -0.15 0.00 0.00 55.06 56.41 2a3x s HIS 78 Cb 0.00 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 2a3x s HIS 78 CO 0.00 -1.23 -0.04 -1.59 -0.85 0.00 0.00 174.74 171.03 2a3x s LYS 79 N -4.27 0.60 0.10 1.40 -2.85 -1.26 -0.35 119.74 113.11 2a3x s LYS 79 Ca 0.63 -1.11 0.06 0.00 -1.00 0.00 0.00 55.97 54.55 2a3x s LYS 79 Cb -0.16 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.64 2a3x s LYS 79 CO 0.41 -0.07 -0.15 0.14 0.10 0.00 0.00 175.35 175.79 2a3x s VAL 80 N -3.26 1.29 -0.04 1.79 -7.23 0.03 -5.00 120.40 107.98 2a3x s VAL 80 Ca 0.03 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2a3x s VAL 80 Cb 0.03 -1.39 0.02 0.00 0.56 0.00 0.00 36.38 35.61 2a3x s VAL 80 CO -0.07 -0.32 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.49 2a3x s THR 81 N -1.77 0.37 0.03 5.32 2.01 -1.26 -1.56 115.64 118.78 2a3x s THR 81 Ca 0.05 -0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.12 2a3x s THR 81 Cb -0.07 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 2a3x s THR 81 CO 0.03 0.20 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.53 2a3x s SER 82 N 1.13 2.30 0.13 3.53 0.01 -0.44 -4.99 113.70 115.38 2a3x s SER 82 Ca -0.08 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 2a3x s SER 82 Cb -0.14 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 2a3x s SER 82 CO -0.01 0.16 0.32 -0.54 0.41 0.00 0.00 173.24 173.57 2a3x s LYS 83 N -1.01 3.52 -0.02 12.44 1.02 -1.26 -1.80 119.74 132.63 2a3x s LYS 83 Ca 0.07 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 2a3x s LYS 83 Cb -0.08 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.33 2a3x s LYS 83 CO 0.01 0.50 0.26 0.54 -0.92 0.00 0.00 175.35 175.75 2a3x s VAL 84 N -1.66 0.06 -0.21 3.17 0.11 -0.39 -4.75 120.40 116.72 2a3x s VAL 84 Ca 0.38 -0.47 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 2a3x s VAL 84 Cb -0.12 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2a3x s VAL 84 CO 0.27 -0.26 1.05 -0.63 -3.33 0.00 0.00 175.10 172.20 2a3x s ILE 85 N -1.16 4.67 -0.09 7.04 1.01 -1.26 -4.40 121.20 127.00 2a3x s ILE 85 Ca -0.12 2.01 -0.14 0.00 0.00 0.00 0.00 60.65 62.39 2a3x s ILE 85 Cb -0.05 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.15 2a3x s ILE 85 CO 0.03 -0.16 0.36 -1.83 0.00 0.00 0.00 174.94 173.35 2a3x s GLU 86 N 3.08 0.54 0.32 2.79 -1.05 -1.26 -5.08 118.70 118.05 2a3x s GLU 86 Ca 0.45 0.27 -0.27 0.00 -0.15 0.00 0.00 54.97 55.27 2a3x s GLU 86 Cb -0.16 0.25 -0.09 0.00 -0.44 0.00 0.00 34.13 33.69 2a3x s GLU 86 CO 0.08 -0.11 1.00 0.15 0.95 0.00 0.00 175.26 177.33 2a3x s LYS 87 N -0.37 4.52 -0.05 -4.83 1.02 -1.26 -4.85 119.74 113.92 2a3x s LYS 87 Ca -0.05 1.48 0.02 0.00 0.02 0.00 0.00 55.97 57.44 2a3x s LYS 87 Cb -0.03 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2a3x s LYS 87 CO 0.02 0.19 -0.08 0.12 -0.92 0.00 0.00 175.35 174.67 2a3x s PHE 88 N -1.49 1.04 0.22 3.18 5.36 -1.26 -3.46 117.98 121.59 2a3x s PHE 88 Ca 0.50 -0.33 -0.13 0.00 -0.96 0.00 0.00 56.93 56.01 2a3x s PHE 88 Cb -0.23 -0.81 -0.08 0.00 -0.34 0.00 0.00 43.02 41.57 2a3x s PHE 88 CO 0.29 -0.19 0.60 -1.25 -1.46 0.00 0.00 175.22 173.21 2a3x s PRO 89 N 0.63 3.93 -0.03 10.12 0.04 -1.26 -5.18 135.00 143.25 2a3x s PRO 89 Ca -0.11 0.47 -0.23 0.00 0.04 0.00 0.00 61.00 61.17 2a3x s PRO 89 Cb -0.13 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.75 2a3x s PRO 89 CO 0.02 0.34 0.50 0.00 0.04 0.00 0.00 177.00 177.89 2a3x s ALA 90 N -1.73 -1.29 0.31 8.56 0.00 -1.22 -5.07 121.76 121.33 2a3x s ALA 90 Ca 0.46 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 2a3x s ALA 90 Cb -0.13 0.04 -0.11 0.00 0.00 0.00 0.00 23.12 22.93 2a3x s ALA 90 CO 0.20 -0.32 1.42 -2.14 0.00 0.00 0.00 175.76 174.92 2a3x s PRO 91 N -1.28 4.24 0.02 0.00 0.02 -1.26 -4.66 135.00 132.08 2a3x s PRO 91 Ca -0.12 2.37 0.06 0.00 0.02 0.00 0.00 61.00 63.33 2a3x s PRO 91 Cb -0.03 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 2a3x s PRO 91 CO 0.07 -0.39 -0.18 0.54 -0.33 0.00 0.00 177.00 176.71 2a3x s VAL 92 N -0.67 1.42 -0.28 3.83 0.11 -0.06 -5.01 120.40 119.74 2a3x s VAL 92 Ca 0.55 -0.95 -0.06 0.00 -2.93 0.00 0.00 61.98 58.58 2a3x s VAL 92 Cb -0.43 -1.22 0.01 0.00 -1.53 0.00 0.00 36.38 33.21 2a3x s VAL 92 CO 0.52 0.24 0.05 -2.28 -3.33 0.00 0.00 175.10 170.30 2a3x s HIS 93 N -0.64 3.11 -0.15 1.54 2.46 -1.26 -1.34 115.29 119.02 2a3x s HIS 93 Ca 0.06 -0.99 -0.06 0.00 0.47 0.00 0.00 55.06 54.54 2a3x s HIS 93 Cb -0.08 -2.21 -0.04 0.00 -0.13 0.00 0.00 32.58 30.12 2a3x s HIS 93 CO 0.01 -0.57 0.05 0.42 -2.47 0.00 0.00 174.74 172.18 2a3x s ILE 94 N 1.49 4.71 0.04 0.89 1.01 0.03 -0.85 121.20 128.52 2a3x s ILE 94 Ca 0.03 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.68 2a3x s ILE 94 Cb -0.17 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2a3x s ILE 94 CO 0.01 0.52 -0.22 0.00 0.00 0.00 0.00 174.94 175.24 2a3x s VAL 96 N -0.77 -0.04 0.25 0.00 0.11 0.76 0.33 120.40 121.04 2a3x s VAL 96 Ca 0.09 0.15 0.10 0.00 -2.93 0.00 0.00 61.98 59.39 2a3x s VAL 96 Cb -0.09 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 2a3x s VAL 96 CO 0.02 0.06 -0.17 -0.94 -3.33 0.00 0.00 175.10 170.74 2a3x s SER 97 N 0.94 3.09 -0.09 3.54 1.04 0.69 -0.41 113.70 122.51 2a3x s SER 97 Ca -0.07 -1.03 -0.07 0.00 0.48 0.00 0.00 55.95 55.26 2a3x s SER 97 Cb -0.10 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.83 2a3x s SER 97 CO -0.04 -0.07 0.23 0.86 0.98 0.00 0.00 173.24 175.19 2a3x s TRP 98 N -2.74 -0.27 -0.16 5.02 -0.00 -0.65 -0.93 118.94 119.22 2a3x s TRP 98 Ca 0.27 0.65 -0.01 0.00 -0.00 0.00 0.00 56.10 57.01 2a3x s TRP 98 Cb -0.03 0.07 0.04 0.00 -0.00 0.00 0.00 33.47 33.55 2a3x s TRP 98 CO 0.11 -0.15 -0.04 -2.00 -0.00 0.00 0.00 176.95 174.86 2a3x s GLU 99 N 0.50 1.34 0.29 5.86 2.12 -0.99 -2.35 118.70 125.46 2a3x s GLU 99 Ca -0.03 -0.46 -0.00 0.00 0.36 0.00 0.00 54.97 54.83 2a3x s GLU 99 Cb -0.05 -1.93 0.43 0.00 0.26 0.00 0.00 34.13 32.84 2a3x s GLU 99 CO -0.03 -0.43 1.83 1.03 -0.54 0.00 0.00 175.26 177.12 2a3x h SER 100 N 8.14 0.73 -0.54 -1.70 0.87 -1.80 0.67 113.55 119.93 2a3x h SER 100 Ca -0.24 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.14 2a3x h SER 100 Cb 1.11 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 2a3x h SER 100 CO 0.39 0.73 0.16 0.77 -0.53 0.00 0.00 176.83 178.35 2a3x h SER 101 N 0.75 0.83 0.12 6.23 4.64 -1.92 0.45 113.55 124.66 2a3x h SER 101 Ca 0.16 -0.15 -0.35 0.00 -0.47 0.00 0.00 61.79 60.99 2a3x h SER 101 Cb 0.31 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.12 2a3x h SER 101 CO 0.00 0.80 -2.22 -1.54 -0.87 0.00 0.00 176.83 173.00 2a3x n SER 102 N -4.27 0.29 0.00 4.97 3.41 -1.12 -4.65 113.62 112.25 2a3x n SER 102 Ca 0.04 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2a3x n SER 102 Cb 0.22 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 2a3x n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a3x n GLY 103 N 1.72 0.52 3.69 5.00 0.00 0.23 -4.79 105.19 111.56 2a3x n GLY 103 Ca -0.29 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2a3x n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a3x s ILE 104 N -2.00 4.71 -0.09 -0.61 -1.09 -1.16 0.55 121.20 121.52 2a3x s ILE 104 Ca 0.00 1.97 -0.15 0.00 -2.23 0.00 0.00 60.65 60.24 2a3x s ILE 104 Cb 0.00 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 2a3x s ILE 104 CO 0.00 0.03 0.38 0.00 -1.23 0.00 0.00 174.94 174.12 2a3x s ALA 105 N 1.84 3.61 -0.17 9.38 0.00 0.49 -2.35 121.76 134.57 2a3x s ALA 105 Ca 0.50 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.17 2a3x s ALA 105 Cb -0.20 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.50 2a3x s ALA 105 CO 0.20 0.23 -0.19 -1.21 0.00 0.00 0.00 175.76 174.79 2a3x s GLU 106 N -0.11 2.86 -0.08 0.00 2.02 -0.10 -2.24 118.70 121.04 2a3x s GLU 106 Ca 0.22 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.40 2a3x s GLU 106 Cb -0.15 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 2a3x s GLU 106 CO 0.09 -0.19 0.05 -0.06 0.02 0.00 0.00 175.26 175.17 2a3x s PHE 107 N 1.26 3.29 -0.09 1.61 0.08 -1.26 -0.22 117.98 122.65 2a3x s PHE 107 Ca 0.03 0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.35 2a3x s PHE 107 Cb -0.13 -1.81 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2a3x s PHE 107 CO -0.11 0.55 -0.04 -1.58 -0.10 0.00 0.00 175.22 173.94 2a3x s TRP 108 N -0.98 1.04 -0.20 0.36 0.52 0.15 -1.70 118.94 118.14 2a3x s TRP 108 Ca 0.15 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.86 2a3x s TRP 108 Cb -0.12 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.25 2a3x s TRP 108 CO 0.05 -0.39 -0.16 0.42 0.02 0.00 0.00 176.95 176.89 2a3x s ILE 109 N 1.70 2.28 -1.43 2.03 -1.09 -0.39 -0.19 121.20 124.11 2a3x s ILE 109 Ca 0.02 -0.96 -0.03 0.00 -2.23 0.00 0.00 60.65 57.45 2a3x s ILE 109 Cb -0.13 -2.02 0.02 0.00 -1.58 0.00 0.00 42.46 38.76 2a3x s ILE 109 CO -0.05 0.45 0.55 0.59 -1.23 0.00 0.00 174.94 175.24 2a3x n ASN 110 N 4.63 -1.08 -0.03 3.58 3.02 -0.03 -1.88 115.26 123.47 2a3x n ASN 110 Ca -0.20 -0.96 -0.00 0.00 -0.03 0.00 0.00 54.58 53.39 2a3x n ASN 110 Cb 0.49 -3.27 -0.00 0.00 -0.61 0.00 0.00 39.78 36.39 2a3x n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a3x n GLY 111 N -1.83 0.35 3.40 7.41 0.00 -1.26 -5.00 105.19 108.26 2a3x n GLY 111 Ca -0.25 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2a3x n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a3x s THR 112 N -1.67 3.16 0.15 2.61 2.01 -0.79 -4.92 115.64 116.20 2a3x s THR 112 Ca 0.00 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 2a3x s THR 112 Cb 0.00 -2.33 -0.07 0.00 0.01 0.00 0.00 72.50 70.12 2a3x s THR 112 CO 0.00 0.53 0.98 -2.16 -0.69 0.00 0.00 174.62 173.28 2a3x s PRO 113 N 0.22 4.72 0.40 4.92 0.04 -1.26 -1.26 135.00 142.78 2a3x s PRO 113 Ca -0.08 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.50 2a3x s PRO 113 Cb -0.15 -3.34 0.07 0.00 0.04 0.00 0.00 34.50 31.13 2a3x s PRO 113 CO 0.05 0.26 0.56 1.28 0.04 0.00 0.00 177.00 179.19 2a3x n LEU 114 N 2.40 0.00 -4.70 -3.56 4.77 -0.69 -4.96 117.00 110.27 2a3x n LEU 114 Ca 0.01 -1.43 -0.42 0.00 -0.03 0.00 0.00 56.01 54.14 2a3x n LEU 114 Cb 0.48 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2a3x n LEU 114 CO 0.51 -0.72 1.36 -0.69 -1.33 0.00 0.00 177.39 176.52 2a3x s VAL 115 N -1.52 2.74 0.35 4.08 1.01 -1.26 -4.74 120.40 121.06 2a3x s VAL 115 Ca 0.39 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 2a3x s VAL 115 Cb -0.03 -3.20 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 2a3x s VAL 115 CO 0.26 0.01 1.47 -0.54 0.00 0.00 0.00 175.10 176.29 2a3x s LYS 116 N 2.31 4.17 0.13 2.72 1.02 -1.26 -4.71 119.74 124.10 2a3x s LYS 116 Ca 0.75 2.49 0.03 0.00 0.02 0.00 0.00 55.97 59.27 2a3x s LYS 116 Cb -0.43 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2a3x s LYS 116 CO 0.33 -0.48 -0.09 0.15 -0.92 0.00 0.00 175.35 174.35 2a3x s LYS 117 N -1.72 0.97 0.01 1.68 -0.14 -0.95 -4.99 119.74 114.60 2a3x s LYS 117 Ca 0.54 -1.40 0.04 0.00 -1.36 0.00 0.00 55.97 53.79 2a3x s LYS 117 Cb -0.45 -0.45 -0.01 0.00 -1.68 0.00 0.00 37.83 35.23 2a3x s LYS 117 CO 0.58 0.04 -0.12 0.20 -0.76 0.00 0.00 175.35 175.28 2a3x s GLY 118 N -3.11 0.65 0.02 -3.33 0.00 -1.26 0.18 107.32 100.47 2a3x s GLY 118 Ca 0.15 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 43.96 2a3x s GLY 118 CO -0.02 -0.57 0.68 0.48 0.00 0.00 0.00 173.10 173.68 2a3x s LEU 119 N -0.63 -0.59 -1.36 0.66 2.34 0.19 -4.94 118.68 114.35 2a3x s LEU 119 Ca 0.03 0.39 -0.15 0.00 0.06 0.00 0.00 54.13 54.46 2a3x s LEU 119 Cb -0.06 2.49 0.02 0.00 -0.56 0.00 0.00 46.19 48.07 2a3x s LEU 119 CO 0.00 -0.72 0.41 0.54 -1.06 0.00 0.00 176.35 175.52 2a3x n ARG 120 N 0.36 -1.11 -1.79 1.48 1.74 -1.26 -4.54 116.66 111.55 2a3x n ARG 120 Ca -0.17 0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 2a3x n ARG 120 Cb 0.60 -3.41 -0.03 0.00 -1.02 0.00 0.00 32.46 28.60 2a3x n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2a3x s GLN 121 N -7.11 4.15 0.00 5.56 0.74 -1.26 -2.16 119.66 119.57 2a3x s GLN 121 Ca 0.24 2.54 0.00 0.00 0.05 0.00 0.00 55.36 58.19 2a3x s GLN 121 Cb -0.12 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.90 2a3x s GLN 121 CO 0.96 -0.70 0.00 0.41 -0.55 0.00 0.00 175.29 175.40 2a3x n GLY 122 N 3.73 1.91 3.81 2.59 0.00 0.16 -5.00 105.19 112.40 2a3x n GLY 122 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2a3x n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3x s TYR 123 N -3.12 3.18 -0.16 1.61 5.04 -0.92 -5.01 117.35 117.97 2a3x s TYR 123 Ca 0.00 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 2a3x s TYR 123 Cb 0.00 -2.94 -0.00 0.00 0.35 0.00 0.00 41.96 39.37 2a3x s TYR 123 CO 0.00 -0.58 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.42 2a3x s PHE 124 N -2.25 2.78 0.09 4.97 0.08 -1.26 -4.79 117.98 117.61 2a3x s PHE 124 Ca 0.63 -1.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.31 2a3x s PHE 124 Cb -0.13 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.37 2a3x s PHE 124 CO 0.23 -0.50 1.12 0.14 -0.10 0.00 0.00 175.22 176.11 2a3x s VAL 125 N 0.87 4.15 0.46 -0.44 -7.23 -0.72 -4.90 120.40 112.59 2a3x s VAL 125 Ca -0.04 1.64 -0.24 0.00 -1.81 0.00 0.00 61.98 61.53 2a3x s VAL 125 Cb -0.15 -4.05 -0.07 0.00 0.56 0.00 0.00 36.38 32.67 2a3x s VAL 125 CO -0.01 0.18 1.26 -1.61 -0.31 0.00 0.00 175.10 174.61 2a3x s GLU 126 N 0.56 3.67 0.58 4.82 2.02 -1.26 -0.83 118.70 128.26 2a3x s GLU 126 Ca 0.54 2.02 -0.05 0.00 0.02 0.00 0.00 54.97 57.50 2a3x s GLU 126 Cb -0.28 -2.49 0.12 0.00 0.10 0.00 0.00 34.13 31.59 2a3x s GLU 126 CO 0.31 -0.69 0.79 0.00 0.02 0.00 0.00 175.26 175.68 2a3x n ALA 127 N -0.41 -0.42 -3.44 5.21 0.00 -1.26 -4.67 120.51 115.51 2a3x n ALA 127 Ca 0.07 -1.27 -0.16 0.00 0.00 0.00 0.00 53.44 52.08 2a3x n ALA 127 Cb 0.46 0.09 0.02 0.00 0.00 0.00 0.00 19.45 20.01 2a3x n ALA 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a3x n GLN 128 N -2.57 -1.42 -2.81 0.00 6.02 -1.24 -4.87 117.38 110.49 2a3x n GLN 128 Ca 0.11 0.97 -0.20 0.00 -0.01 0.00 0.00 57.00 57.87 2a3x n GLN 128 Cb 0.40 -4.39 0.05 0.00 1.02 0.00 0.00 30.24 27.31 2a3x n GLN 128 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a3x s PRO 129 N -4.44 2.43 -0.19 -1.09 0.04 -1.26 -4.62 135.00 125.87 2a3x s PRO 129 Ca 0.17 -1.14 0.01 0.00 0.04 0.00 0.00 61.00 60.08 2a3x s PRO 129 Cb -0.05 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.94 2a3x s PRO 129 CO 0.82 -0.74 -0.18 0.21 0.04 0.00 0.00 177.00 177.15 2a3x s LYS 130 N -4.69 2.93 -0.22 4.56 2.47 -0.12 -4.97 119.74 119.70 2a3x s LYS 130 Ca 0.59 -0.88 -0.05 0.00 -1.56 0.00 0.00 55.97 54.07 2a3x s LYS 130 Cb -0.08 -2.65 -0.02 0.00 -1.46 0.00 0.00 37.83 33.62 2a3x s LYS 130 CO 0.38 -0.26 0.01 0.42 0.16 0.00 0.00 175.35 176.06 2a3x s ILE 131 N 1.28 3.92 0.10 5.43 1.01 -1.25 -1.74 121.20 129.95 2a3x s ILE 131 Ca 0.03 -0.31 0.10 0.00 0.00 0.00 0.00 60.65 60.47 2a3x s ILE 131 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 2a3x s ILE 131 CO -0.11 0.40 -0.27 0.68 0.00 0.00 0.00 174.94 175.64 2a3x s VAL 132 N 1.29 2.24 -0.05 2.92 -7.23 -0.18 -0.38 120.40 119.02 2a3x s VAL 132 Ca 0.04 -1.64 0.06 0.00 -1.81 0.00 0.00 61.98 58.63 2a3x s VAL 132 Cb -0.15 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 2a3x s VAL 132 CO 0.01 0.17 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.98 2a3x s LEU 133 N -1.82 2.04 0.00 1.32 1.02 0.41 -2.64 118.68 119.01 2a3x s LEU 133 Ca 0.13 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.81 2a3x s LEU 133 Cb -0.10 -1.28 0.00 0.00 0.02 0.00 0.00 46.19 44.83 2a3x s LEU 133 CO 0.05 0.24 0.00 0.61 0.02 0.00 0.00 176.35 177.27 2a3x n GLY 134 N 2.88 2.96 3.54 -3.19 0.00 -1.26 -0.98 105.19 109.13 2a3x n GLY 134 Ca -0.17 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 2a3x n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a3x s GLN 135 N 0.00 1.80 -0.31 1.61 -1.52 -1.26 0.72 119.66 120.70 2a3x s GLN 135 Ca 0.00 -1.94 0.01 0.00 -1.95 0.00 0.00 55.36 51.47 2a3x s GLN 135 Cb 0.00 -1.58 0.07 0.00 -0.22 0.00 0.00 33.01 31.28 2a3x s GLN 135 CO 0.00 0.08 -0.01 -2.00 -0.25 0.00 0.00 175.29 173.11 2a3x s GLU 136 N -3.66 2.14 0.44 2.91 -6.30 -1.26 -4.64 118.70 108.33 2a3x s GLU 136 Ca 0.33 -1.47 -0.25 0.00 -2.50 0.00 0.00 54.97 51.08 2a3x s GLU 136 Cb 0.04 -3.13 -0.08 0.00 0.00 0.00 0.00 34.13 30.97 2a3x s GLU 136 CO 0.16 -0.71 1.27 -0.65 0.02 0.00 0.00 175.26 175.35 2a3x s GLN 137 N 1.12 3.80 0.00 4.30 -0.21 -1.26 -4.05 119.66 123.36 2a3x s GLN 137 Ca -0.02 2.07 0.00 0.00 0.02 0.00 0.00 55.36 57.43 2a3x s GLN 137 Cb -0.20 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.21 2a3x s GLN 137 CO -0.04 -0.61 0.00 -0.25 -2.12 0.00 0.00 175.29 172.27 2a3x n ASP 138 N -0.19 3.00 -3.83 5.90 8.00 -0.71 -4.70 116.55 124.02 2a3x n ASP 138 Ca 0.06 -0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.15 2a3x n ASP 138 Cb 0.45 0.99 -0.03 0.00 -0.02 0.00 0.00 41.12 42.51 2a3x n ASP 138 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2a3x n SER 139 N -1.29 2.71 -4.56 -2.24 3.41 -0.54 -4.83 113.62 106.27 2a3x n SER 139 Ca 0.00 -2.43 -0.39 0.00 -0.26 0.00 0.00 58.87 55.79 2a3x n SER 139 Cb 0.00 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 2a3x n SER 139 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2a3x s TYR 140 N -2.11 2.45 0.00 7.33 5.04 -1.26 -3.48 117.35 125.32 2a3x s TYR 140 Ca 0.06 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 53.97 2a3x s TYR 140 Cb -0.01 -4.60 0.00 0.00 0.35 0.00 0.00 41.96 37.71 2a3x s TYR 140 CO 0.04 -1.87 0.00 0.41 -1.34 0.00 0.00 175.55 172.79 2a3x n GLY 141 N 6.62 0.68 0.00 8.97 0.00 -1.26 -5.01 105.19 115.18 2a3x n GLY 141 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2a3x n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3x n GLY 142 N -2.00 4.92 3.12 -0.02 0.00 -1.23 -5.00 105.19 104.98 2a3x n GLY 142 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2a3x n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a3x n LYS 143 N 0.00 -1.89 -3.69 1.61 5.02 -1.26 -1.47 118.16 116.48 2a3x n LYS 143 Ca 0.00 1.67 -0.30 0.00 -2.02 0.00 0.00 58.31 57.67 2a3x n LYS 143 Cb 0.00 -4.81 -0.04 0.00 -0.02 0.00 0.00 35.03 30.17 2a3x n LYS 143 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2a3x s PHE 144 N -2.61 3.48 -0.14 2.13 0.08 -1.26 -1.74 117.98 117.93 2a3x s PHE 144 Ca 0.16 0.44 -0.03 0.00 0.12 0.00 0.00 56.93 57.63 2a3x s PHE 144 Cb -0.04 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 2a3x s PHE 144 CO 0.79 0.42 -0.03 0.34 -0.10 0.00 0.00 175.22 176.64 2a3x s ASP 145 N -2.76 4.84 0.12 1.36 -1.08 -1.26 -5.02 116.67 112.88 2a3x s ASP 145 Ca 0.40 -0.08 -0.20 0.00 -0.52 0.00 0.00 52.55 52.15 2a3x s ASP 145 Cb -0.12 -1.68 -0.07 0.00 -1.46 0.00 0.00 42.92 39.59 2a3x s ASP 145 CO 0.27 0.21 1.76 -0.09 0.52 0.00 0.00 175.17 177.85 2a3x h ARG 146 N 6.36 0.27 -0.17 4.34 2.43 -1.95 -2.59 114.38 123.07 2a3x h ARG 146 Ca -0.35 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2a3x h ARG 146 Cb 1.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2a3x h ARG 146 CO 0.61 0.20 0.00 -1.13 -1.51 0.00 0.00 179.97 178.14 2a3x n SER 147 N -4.94 0.17 0.00 -3.80 3.41 -1.26 -2.14 113.62 105.07 2a3x n SER 147 Ca -0.03 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 2a3x n SER 147 Cb 0.04 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2a3x n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3x n GLN 148 N -0.37 1.21 -2.23 4.33 6.02 -0.99 -4.60 117.38 120.75 2a3x n GLN 148 Ca 0.00 -0.29 -0.38 0.00 -0.01 0.00 0.00 57.00 56.32 2a3x n GLN 148 Cb 0.04 -0.76 -0.01 0.00 1.02 0.00 0.00 30.24 30.53 2a3x n GLN 148 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2a3x s SER 149 N -0.25 6.36 -0.24 1.08 1.04 -0.91 -2.38 113.70 118.40 2a3x s SER 149 Ca 0.00 2.40 -0.19 0.00 0.48 0.00 0.00 55.95 58.64 2a3x s SER 149 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 2a3x s SER 149 CO 0.00 -0.79 0.55 0.12 0.98 0.00 0.00 173.24 174.10 2a3x s PHE 150 N -1.42 3.31 -0.14 5.02 5.36 0.22 -4.77 117.98 125.56 2a3x s PHE 150 Ca 0.59 0.74 -0.01 0.00 -0.96 0.00 0.00 56.93 57.30 2a3x s PHE 150 Cb -0.32 -2.74 -0.01 0.00 -0.34 0.00 0.00 43.02 39.61 2a3x s PHE 150 CO 0.39 -0.23 -0.12 0.14 -1.46 0.00 0.00 175.22 173.94 2a3x s VAL 151 N 2.13 3.09 -5.00 3.12 -7.23 -1.26 -4.72 120.40 110.52 2a3x s VAL 151 Ca 0.24 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2a3x s VAL 151 Cb -0.16 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2a3x s VAL 151 CO 0.09 0.51 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 2a3x n GLY 152 N 3.69 0.91 3.27 2.32 0.00 -0.16 -4.59 105.19 110.63 2a3x n GLY 152 Ca -0.18 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2a3x n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3x s GLU 153 N -2.00 2.89 -0.03 1.61 2.02 0.72 -0.24 118.70 123.68 2a3x s GLU 153 Ca 0.00 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.18 2a3x s GLU 153 Cb 0.00 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 2a3x s GLU 153 CO 0.00 0.28 -0.17 0.42 0.02 0.00 0.00 175.26 175.80 2a3x s ILE 154 N 0.11 1.41 0.31 -1.63 1.01 -0.81 -0.73 121.20 120.87 2a3x s ILE 154 Ca -0.11 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 2a3x s ILE 154 Cb -0.16 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.12 2a3x s ILE 154 CO 0.06 0.40 0.54 -0.83 0.00 0.00 0.00 174.94 175.11 2a3x s GLY 155 N -0.16 0.83 -1.34 6.18 0.00 -0.31 -1.02 107.32 111.50 2a3x s GLY 155 Ca 0.01 -1.07 -0.07 0.00 0.00 0.00 0.00 44.72 43.58 2a3x s GLY 155 CO 0.01 -0.69 0.49 1.22 0.00 0.00 0.00 173.10 174.13 2a3x n ASP 156 N -0.92 -1.62 -4.70 1.64 8.00 -1.26 -0.44 116.55 117.24 2a3x n ASP 156 Ca -0.02 -1.05 -0.40 0.00 0.71 0.00 0.00 54.79 54.02 2a3x n ASP 156 Cb 0.61 -2.91 -0.04 0.00 -0.02 0.00 0.00 41.12 38.76 2a3x n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a3x s LEU 157 N -6.93 4.28 -0.08 0.64 1.98 -1.26 -3.92 118.68 113.40 2a3x s LEU 157 Ca 0.15 1.21 -0.04 0.00 -2.89 0.00 0.00 54.13 52.55 2a3x s LEU 157 Cb -0.06 -3.15 0.04 0.00 0.66 0.00 0.00 46.19 43.68 2a3x s LEU 157 CO 0.90 -0.20 0.19 -0.31 -1.89 0.00 0.00 176.35 175.04 2a3x s TYR 158 N 1.17 -0.23 -0.10 5.38 1.51 -0.14 -1.49 117.35 123.46 2a3x s TYR 158 Ca 0.39 0.58 0.01 0.00 -1.01 0.00 0.00 57.07 57.04 2a3x s TYR 158 Cb -0.18 -0.00 0.02 0.00 -0.11 0.00 0.00 41.96 41.69 2a3x s TYR 158 CO 0.17 -0.17 -0.12 1.41 -1.11 0.00 0.00 175.55 175.74 2a3x s MET 159 N 0.91 1.82 0.31 -0.62 1.75 0.23 -1.15 119.30 122.54 2a3x s MET 159 Ca -0.07 -0.41 0.08 0.00 -1.25 0.00 0.00 55.69 54.04 2a3x s MET 159 Cb -0.08 -1.62 -0.03 0.00 2.84 0.00 0.00 34.83 35.93 2a3x s MET 159 CO -0.05 -0.10 0.20 -1.58 -0.65 0.00 0.00 175.02 172.84 2a3x s TRP 160 N 1.11 2.90 -0.53 4.11 0.51 -0.07 -0.94 118.94 126.03 2a3x s TRP 160 Ca -0.06 -0.26 0.02 0.00 -2.12 0.00 0.00 56.10 53.68 2a3x s TRP 160 Cb -0.14 -1.59 0.51 0.00 -0.81 0.00 0.00 33.47 31.44 2a3x s TRP 160 CO -0.02 0.36 1.85 -0.40 -0.51 0.00 0.00 176.95 178.23 2a3x n ASP 161 N -1.22 5.88 -3.95 2.95 5.75 -1.26 -2.22 116.55 122.48 2a3x n ASP 161 Ca -0.04 -3.74 -0.09 0.00 -0.01 0.00 0.00 54.79 50.91 2a3x n ASP 161 Cb 0.59 -0.84 -0.08 0.00 -1.03 0.00 0.00 41.12 39.77 2a3x n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a3x s SER 162 N -1.98 0.13 -0.36 -1.12 1.04 -1.24 -4.49 113.70 105.68 2a3x s SER 162 Ca 0.59 -0.83 -0.19 0.00 0.48 0.00 0.00 55.95 56.00 2a3x s SER 162 Cb 0.48 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.97 2a3x s SER 162 CO 0.03 -0.79 0.59 -0.69 0.98 0.00 0.00 173.24 173.35 2a3x s VAL 163 N -3.93 4.94 0.13 5.02 1.01 -1.26 -1.96 120.40 124.34 2a3x s VAL 163 Ca 0.12 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 2a3x s VAL 163 Cb 0.05 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2a3x s VAL 163 CO -0.05 -0.29 1.00 -0.76 0.00 0.00 0.00 175.10 175.01 2a3x s LEU 164 N 2.58 4.49 0.66 3.92 1.02 -1.26 -5.05 118.68 125.06 2a3x s LEU 164 Ca 0.22 1.88 -0.12 0.00 0.02 0.00 0.00 54.13 56.12 2a3x s LEU 164 Cb -0.15 -3.59 -0.00 0.00 0.02 0.00 0.00 46.19 42.46 2a3x s LEU 164 CO 0.14 -0.12 1.06 -2.16 0.02 0.00 0.00 176.35 175.29 2a3x s PRO 165 N -0.06 3.03 0.29 1.29 0.04 -1.26 -4.83 135.00 133.51 2a3x s PRO 165 Ca 0.48 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.58 2a3x s PRO 165 Cb -0.25 -2.00 0.71 0.00 0.04 0.00 0.00 34.50 33.00 2a3x s PRO 165 CO 0.31 -1.03 1.61 -1.35 0.04 0.00 0.00 177.00 176.59 2a3x h PRO 166 N -0.36 0.10 -0.67 0.56 0.11 -1.99 -0.84 132.00 128.91 2a3x h PRO 166 Ca -0.45 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.75 2a3x h PRO 166 Cb 1.21 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 2a3x h PRO 166 CO 0.57 0.06 0.32 0.93 -0.21 0.00 0.00 178.00 179.67 2a3x h GLU 167 N 0.10 0.54 -0.08 1.05 3.07 -1.98 0.35 114.58 117.64 2a3x h GLU 167 Ca 0.56 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 59.22 2a3x h GLU 167 Cb 1.15 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 2a3x h GLU 167 CO -0.77 0.35 -0.68 -0.91 -1.40 0.00 0.00 179.01 175.60 2a3x h ASN 168 N 0.55 0.39 -0.26 1.42 2.35 -1.53 -0.46 115.58 118.04 2a3x h ASN 168 Ca 0.33 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2a3x h ASN 168 Cb 0.35 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 2a3x h ASN 168 CO -0.27 0.96 -0.23 0.40 -1.65 0.00 0.00 177.43 176.64 2a3x h ILE 169 N 0.24 1.31 0.00 2.81 2.04 -1.01 0.03 117.51 122.92 2a3x h ILE 169 Ca -0.02 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 2a3x h ILE 169 Cb 1.23 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2a3x h ILE 169 CO 0.11 0.44 -0.16 -0.07 0.00 0.00 0.00 178.15 178.47 2a3x h LEU 170 N 0.33 0.00 -0.02 1.44 3.38 -0.29 -1.68 115.31 118.49 2a3x h LEU 170 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 2a3x h LEU 170 Cb 0.79 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.55 2a3x h LEU 170 CO 0.06 0.16 -0.63 -1.28 0.09 0.00 0.00 178.44 176.84 2a3x h SER 171 N 0.00 0.58 -0.91 -0.43 0.87 -0.77 -2.56 113.55 110.33 2a3x h SER 171 Ca -0.00 -0.74 0.06 0.00 -1.23 0.00 0.00 61.79 59.88 2a3x h SER 171 Cb 0.60 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 2a3x h SER 171 CO 0.02 1.25 0.58 0.00 -0.53 0.00 0.00 176.83 178.15 2a3x h ALA 172 N 0.35 1.26 -0.47 6.23 0.00 -0.78 -2.35 119.26 123.48 2a3x h ALA 172 Ca -0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2a3x h ALA 172 Cb 1.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2a3x h ALA 172 CO 0.13 0.35 0.15 -0.92 0.00 0.00 0.00 179.25 178.95 2a3x h TYR 173 N 1.06 0.76 0.00 0.00 3.20 -1.36 -3.16 116.97 117.47 2a3x h TYR 173 Ca 0.39 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 2a3x h TYR 173 Cb 0.16 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2a3x h TYR 173 CO -0.02 0.67 -0.10 1.96 -1.64 0.00 0.00 178.16 179.03 2a3x h GLN 174 N 0.63 0.00 0.00 1.82 4.20 -1.00 -3.47 115.11 117.29 2a3x h GLN 174 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2a3x h GLN 174 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2a3x h GLN 174 CO -0.01 0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.67 2a3x n GLY 175 N 0.08 1.29 3.01 3.46 0.00 -0.95 -5.08 105.19 107.01 2a3x n GLY 175 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2a3x n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a3x n THR 176 N 0.00 2.54 -2.94 2.61 -2.24 -0.95 -4.98 114.28 108.32 2a3x n THR 176 Ca 0.00 -5.04 -0.33 0.00 -2.27 0.00 0.00 64.05 56.40 2a3x n THR 176 Cb 0.00 -2.30 -0.07 0.00 -2.10 0.00 0.00 70.33 65.87 2a3x n THR 176 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a3x s PRO 177 N -1.48 4.19 0.37 -0.78 0.04 -1.26 -4.21 135.00 131.88 2a3x s PRO 177 Ca 0.27 0.97 -0.24 0.00 0.04 0.00 0.00 61.00 62.04 2a3x s PRO 177 Cb -0.05 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 2a3x s PRO 177 CO -0.14 0.09 1.00 -0.51 0.04 0.00 0.00 177.00 177.48 2a3x s LEU 178 N -2.92 4.20 -0.40 -3.56 1.02 -1.26 -4.89 118.68 110.87 2a3x s LEU 178 Ca 0.57 1.91 -0.35 0.00 0.02 0.00 0.00 54.13 56.28 2a3x s LEU 178 Cb -0.11 -4.16 -0.15 0.00 0.02 0.00 0.00 46.19 41.79 2a3x s LEU 178 CO 0.16 -0.30 1.63 -2.65 0.02 0.00 0.00 176.35 175.20 2a3x n PRO 179 N 0.11 0.00 -3.26 1.29 -0.02 -1.26 -4.91 135.00 126.96 2a3x n PRO 179 Ca 0.04 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.13 2a3x n PRO 179 Cb 0.50 -1.19 -0.06 0.00 -0.02 0.00 0.00 33.50 32.73 2a3x n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a3x s ALA 180 N 4.35 3.56 -2.00 3.55 0.00 -1.26 -5.01 121.76 124.95 2a3x s ALA 180 Ca 0.93 0.03 0.16 0.00 0.00 0.00 0.00 51.96 53.09 2a3x s ALA 180 Cb -1.19 -2.66 0.16 0.00 0.00 0.00 0.00 23.12 19.42 2a3x s ALA 180 CO 0.55 0.33 1.05 0.27 0.00 0.00 0.00 175.76 177.96 2a3x n ASN 181 N 2.02 2.46 -0.06 0.00 6.94 -1.16 -4.40 115.26 121.06 2a3x n ASN 181 Ca -0.09 -1.71 -0.11 0.00 -0.02 0.00 0.00 54.58 52.65 2a3x n ASN 181 Cb 0.51 -0.03 -0.04 0.00 -2.36 0.00 0.00 39.78 37.86 2a3x n ASN 181 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2a3x n ILE 182 N 0.93 1.24 -4.57 1.53 5.41 -0.11 -4.87 119.36 118.92 2a3x n ILE 182 Ca 0.10 0.06 -0.24 0.00 1.00 0.00 0.00 62.75 63.67 2a3x n ILE 182 Cb 0.42 -1.95 -0.16 0.00 -0.71 0.00 0.00 39.64 37.24 2a3x n ILE 182 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2a3x s LEU 183 N -7.34 1.66 -0.17 1.39 1.02 -1.09 -4.41 118.68 109.73 2a3x s LEU 183 Ca -0.21 -0.29 -0.03 0.00 0.02 0.00 0.00 54.13 53.63 2a3x s LEU 183 Cb 0.05 -0.80 0.05 0.00 0.02 0.00 0.00 46.19 45.51 2a3x s LEU 183 CO 0.29 0.04 0.03 -0.62 0.02 0.00 0.00 176.35 176.10 2a3x s ASP 184 N 0.60 2.67 0.42 2.29 2.15 -1.26 -0.60 116.67 122.94 2a3x s ASP 184 Ca -0.13 -0.69 0.18 0.00 0.43 0.00 0.00 52.55 52.34 2a3x s ASP 184 Cb -0.15 -0.57 1.10 0.00 -0.30 0.00 0.00 42.92 42.99 2a3x s ASP 184 CO 0.03 -0.28 1.84 -0.25 -0.17 0.00 0.00 175.17 176.34 2a3x h TRP 185 N 8.26 0.54 -0.00 -5.34 2.91 -1.63 0.13 115.95 120.82 2a3x h TRP 185 Ca -0.17 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.87 2a3x h TRP 185 Cb 1.12 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 2a3x h TRP 185 CO 0.32 0.13 -0.02 1.04 -1.03 0.00 0.00 178.44 178.88 2a3x n GLN 186 N -4.52 0.94 -2.87 2.65 6.02 -1.26 -1.90 117.38 116.44 2a3x n GLN 186 Ca 0.20 -0.16 -0.11 0.00 -0.01 0.00 0.00 57.00 56.92 2a3x n GLN 186 Cb 0.74 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.51 2a3x n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3x n ALA 187 N -0.89 -0.58 -2.85 -1.58 0.00 0.39 -3.98 120.51 111.02 2a3x n ALA 187 Ca 0.20 -1.77 -0.32 0.00 0.00 0.00 0.00 53.44 51.55 2a3x n ALA 187 Cb 0.19 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 2a3x n ALA 187 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2a3x s LEU 188 N -0.36 4.14 -0.16 0.00 2.96 0.08 -4.29 118.68 121.04 2a3x s LEU 188 Ca 0.32 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 2a3x s LEU 188 Cb 0.15 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 44.32 2a3x s LEU 188 CO -0.18 0.24 -0.17 0.20 -1.32 0.00 0.00 176.35 175.13 2a3x s ASN 189 N -2.01 3.48 0.04 3.68 -0.87 -1.26 -0.27 114.94 117.73 2a3x s ASN 189 Ca 0.27 -0.53 -0.11 0.00 -1.57 0.00 0.00 52.86 50.92 2a3x s ASN 189 Cb -0.12 -1.53 0.01 0.00 -0.02 0.00 0.00 41.25 39.58 2a3x s ASN 189 CO 0.19 0.05 0.22 -0.72 -2.57 0.00 0.00 177.10 174.27 2a3x s TYR 190 N 1.00 0.01 -0.19 2.20 1.13 -1.26 -2.16 117.35 118.07 2a3x s TYR 190 Ca -0.02 -0.20 0.01 0.00 -1.41 0.00 0.00 57.07 55.45 2a3x s TYR 190 Cb -0.15 0.00 0.03 0.00 -1.10 0.00 0.00 41.96 40.75 2a3x s TYR 190 CO -0.04 -0.45 -0.14 -1.21 -2.51 0.00 0.00 175.55 171.21 2a3x s GLU 191 N -2.52 2.40 -0.05 -3.49 2.02 0.18 -4.98 118.70 112.27 2a3x s GLU 191 Ca -0.05 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 2a3x s GLU 191 Cb -0.01 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 2a3x s GLU 191 CO -0.04 -0.35 1.03 0.42 0.02 0.00 0.00 175.26 176.35 2a3x s ILE 192 N 1.34 4.70 -0.18 -1.63 1.01 -1.26 -1.03 121.20 124.15 2a3x s ILE 192 Ca 0.01 1.96 -0.01 0.00 0.00 0.00 0.00 60.65 62.61 2a3x s ILE 192 Cb -0.15 -4.26 0.05 0.00 0.01 0.00 0.00 42.46 38.11 2a3x s ILE 192 CO -0.10 0.07 -0.03 -0.13 0.00 0.00 0.00 174.94 174.75 2a3x s ARG 193 N 1.58 1.28 1.27 2.79 1.81 -0.15 -5.00 118.95 122.53 2a3x s ARG 193 Ca 0.51 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 53.96 2a3x s ARG 193 Cb -0.21 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.20 2a3x s ARG 193 CO 0.23 -0.50 0.00 0.41 -0.68 0.00 0.00 175.30 174.76 2a3x n GLY 194 N 4.88 0.16 3.38 -3.53 0.00 -1.26 -0.89 105.19 107.94 2a3x n GLY 194 Ca -0.11 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 43.97 2a3x n GLY 194 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3x s TYR 195 N 0.00 3.08 -0.18 1.61 5.04 -1.26 -4.95 117.35 120.69 2a3x s TYR 195 Ca 0.00 -1.11 -0.09 0.00 -2.44 0.00 0.00 57.07 53.42 2a3x s TYR 195 Cb 0.00 -4.04 0.07 0.00 0.35 0.00 0.00 41.96 38.34 2a3x s TYR 195 CO 0.00 -1.30 0.44 0.54 -1.34 0.00 0.00 175.55 173.89 2a3x s VAL 196 N 2.46 -0.12 0.01 3.14 0.11 -1.26 -4.29 120.40 120.44 2a3x s VAL 196 Ca 0.15 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 2a3x s VAL 196 Cb -0.20 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2a3x s VAL 196 CO 0.03 0.04 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.09 2a3x s ILE 197 N 1.61 3.29 -0.39 7.04 -1.09 -0.67 -4.91 121.20 126.09 2a3x s ILE 197 Ca -0.08 -0.89 -0.18 0.00 -2.23 0.00 0.00 60.65 57.26 2a3x s ILE 197 Cb -0.09 -2.40 0.01 0.00 -1.58 0.00 0.00 42.46 38.40 2a3x s ILE 197 CO -0.13 0.41 0.52 -0.63 -1.23 0.00 0.00 174.94 173.87 2a3x s ILE 198 N -0.93 4.99 0.08 2.92 1.01 -1.26 -0.23 121.20 127.78 2a3x s ILE 198 Ca 0.15 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.97 2a3x s ILE 198 Cb -0.11 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 2a3x s ILE 198 CO 0.06 -0.35 -0.18 -0.54 0.00 0.00 0.00 174.94 173.93 2a3x s LYS 199 N 2.42 0.99 0.41 2.79 -0.14 -0.78 -4.95 119.74 120.48 2a3x s LYS 199 Ca 0.18 -1.04 -0.24 0.00 -1.36 0.00 0.00 55.97 53.51 2a3x s LYS 199 Cb -0.16 -1.13 -0.11 0.00 -1.68 0.00 0.00 37.83 34.75 2a3x s LYS 199 CO 0.15 0.26 0.83 -2.30 -0.76 0.00 0.00 175.35 173.53 2a3x n PRO 200 N 1.26 1.01 -2.39 -1.68 -0.02 -1.26 -0.07 135.00 131.85 2a3x n PRO 200 Ca -0.20 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.22 2a3x n PRO 200 Cb 0.54 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 2a3x n PRO 200 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2a3x s LEU 201 N 0.36 3.75 0.00 2.45 2.96 0.73 -4.58 118.68 124.35 2a3x s LEU 201 Ca 0.64 1.02 0.10 0.00 -0.22 0.00 0.00 54.13 55.67 2a3x s LEU 201 Cb -0.59 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.47 2a3x s LEU 201 CO 0.57 -1.24 0.46 1.33 -1.32 0.00 0.00 176.35 176.15 2a3x n VAL 202 N 6.61 0.00 -1.02 1.68 0.24 -1.26 -4.67 118.33 119.91 2a3x n VAL 202 Ca 0.15 -0.28 0.05 0.00 -2.04 0.00 0.00 64.34 62.23 2a3x n VAL 202 Cb 0.47 1.02 0.30 0.00 -1.47 0.00 0.00 33.84 34.16 2a3x n VAL 202 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 2a3x n TRP 203 N -1.11 1.45 -0.32 6.34 4.27 -1.26 -5.28 117.44 121.53 2a3x n TRP 203 Ca 0.02 -0.94 0.00 0.00 -3.89 0.00 0.00 57.50 52.69 2a3x n TRP 203 Cb 0.17 -0.43 0.00 0.00 -1.36 0.00 0.00 31.31 29.69 2a3x n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68