#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 -0.82 1.59 2.01 -0.89 -4.78 115.64 114.67 2a3x s THR 2 Ca 0.00 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 2a3x s THR 2 Cb 0.00 -1.65 0.04 0.00 0.01 0.00 0.00 72.50 70.90 2a3x s THR 2 CO 0.00 0.54 1.31 -0.62 -0.69 0.00 0.00 174.62 175.16 2a3x s ASP 3 N 0.06 6.27 -0.21 3.53 -1.08 -1.25 -1.41 116.67 122.57 2a3x s ASP 3 Ca -0.09 -0.79 0.01 0.00 -0.52 0.00 0.00 52.55 51.16 2a3x s ASP 3 Cb -0.15 -2.55 0.28 0.00 -1.46 0.00 0.00 42.92 39.04 2a3x s ASP 3 CO 0.05 -1.71 1.49 0.18 0.52 0.00 0.00 175.17 175.70 2a3x n LEU 4 N 9.12 4.89 -4.67 -1.34 4.32 -0.72 -4.95 117.00 123.65 2a3x n LEU 4 Ca 0.12 -2.54 -0.42 0.00 -0.02 0.00 0.00 56.01 53.15 2a3x n LEU 4 Cb 0.49 -0.71 -0.03 0.00 -1.62 0.00 0.00 43.42 41.56 2a3x n LEU 4 CO 0.69 0.81 1.45 -0.55 -1.22 0.00 0.00 177.39 178.57 2a3x s SER 5 N 0.04 6.55 -0.06 -1.43 0.15 -1.26 -2.00 113.70 115.69 2a3x s SER 5 Ca 0.25 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.40 2a3x s SER 5 Cb 0.21 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2a3x s SER 5 CO 0.04 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2a3x n GLY 6 N 4.25 0.47 3.52 9.45 0.00 -1.26 -5.01 105.19 116.61 2a3x n GLY 6 Ca 0.18 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.72 1.85 0.16 1.61 1.02 -0.85 0.23 119.74 123.05 2a3x s LYS 7 Ca 0.00 -1.69 0.06 0.00 0.02 0.00 0.00 55.97 54.37 2a3x s LYS 7 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2a3x s LYS 7 CO 0.00 0.32 -0.14 0.14 -0.92 0.00 0.00 175.35 174.76 2a3x s VAL 8 N -2.47 1.48 -0.23 3.17 -7.23 0.16 -4.49 120.40 110.78 2a3x s VAL 8 Ca 0.31 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 2a3x s VAL 8 Cb -0.05 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 2a3x s VAL 8 CO 0.16 -0.53 0.87 -0.36 -0.31 0.00 0.00 175.10 174.93 2a3x s PHE 9 N -2.64 3.33 -0.31 2.82 0.08 -0.01 -1.76 117.98 119.49 2a3x s PHE 9 Ca 0.16 1.21 -0.10 0.00 0.12 0.00 0.00 56.93 58.32 2a3x s PHE 9 Cb -0.02 -3.09 -0.01 0.00 -0.57 0.00 0.00 43.02 39.33 2a3x s PHE 9 CO 0.04 -0.40 0.16 0.54 -0.10 0.00 0.00 175.22 175.46 2a3x s VAL 10 N 2.83 4.71 -0.56 -0.44 0.11 0.80 -1.19 120.40 126.66 2a3x s VAL 10 Ca 0.37 -0.36 -0.18 0.00 -2.93 0.00 0.00 61.98 58.88 2a3x s VAL 10 Cb -0.15 -3.39 0.09 0.00 -1.53 0.00 0.00 36.38 31.40 2a3x s VAL 10 CO 0.08 0.08 0.65 -0.36 -3.33 0.00 0.00 175.10 172.21 2a3x s PHE 11 N 1.63 3.04 -2.40 1.54 0.40 -0.47 -1.48 117.98 120.25 2a3x s PHE 11 Ca 0.05 -0.88 0.28 0.00 -0.60 0.00 0.00 56.93 55.78 2a3x s PHE 11 Cb -0.17 -3.82 1.06 0.00 0.51 0.00 0.00 43.02 40.60 2a3x s PHE 11 CO 0.07 -1.18 1.75 -0.35 0.70 0.00 0.00 175.22 176.21 2a3x n PRO 12 N 6.13 1.55 -3.64 0.24 -0.05 -1.26 -1.61 135.00 136.36 2a3x n PRO 12 Ca -0.09 -0.87 -0.12 0.00 -0.05 0.00 0.00 63.50 62.37 2a3x n PRO 12 Cb 0.43 -1.48 -0.05 0.00 -0.05 0.00 0.00 33.50 32.35 2a3x n PRO 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 2a3x s ARG 13 N -2.05 1.01 -0.20 0.54 1.70 -1.26 -4.99 118.95 113.70 2a3x s ARG 13 Ca 0.37 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.80 2a3x s ARG 13 Cb 0.21 0.45 -0.00 0.00 -0.57 0.00 0.00 34.95 35.04 2a3x s ARG 13 CO 0.36 -0.38 1.12 -2.00 -1.08 0.00 0.00 175.30 173.32 2a3x s GLU 14 N -3.18 4.26 0.27 3.89 2.12 -1.26 -4.76 118.70 120.03 2a3x s GLU 14 Ca -0.01 1.48 -0.05 0.00 0.36 0.00 0.00 54.97 56.75 2a3x s GLU 14 Cb 0.01 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.70 2a3x s GLU 14 CO -0.08 -0.64 0.36 -1.54 -0.54 0.00 0.00 175.26 172.82 2a3x s SER 15 N 1.48 0.39 -0.07 -1.70 1.04 -1.26 -5.02 113.70 108.57 2a3x s SER 15 Ca 0.48 -1.29 0.13 0.00 0.48 0.00 0.00 55.95 55.75 2a3x s SER 15 Cb -0.18 0.54 0.38 0.00 0.10 0.00 0.00 66.02 66.87 2a3x s SER 15 CO 0.10 -1.09 1.31 0.55 0.98 0.00 0.00 173.24 175.09 2a3x n VAL 16 N -0.42 1.52 -0.01 5.02 3.14 -1.26 -4.48 118.33 121.83 2a3x n VAL 16 Ca 0.01 -1.36 -0.02 0.00 -2.96 0.00 0.00 64.34 60.01 2a3x n VAL 16 Cb 0.63 0.20 -0.01 0.00 -1.06 0.00 0.00 33.84 33.60 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 0.05 0.09 -2.64 1.55 -1.04 -1.26 -4.77 114.28 106.26 2a3x n THR 17 Ca 0.15 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 2a3x n THR 17 Cb 0.61 -1.32 -0.02 0.00 -1.82 0.00 0.00 70.33 67.77 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 -4.94 7.17 0.04 8.00 1.01 -1.26 -4.64 116.67 122.04 2a3x s ASP 18 Ca -0.02 1.53 -0.26 0.00 0.71 0.00 0.00 52.55 54.51 2a3x s ASP 18 Cb 0.01 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.45 2a3x s ASP 18 CO 0.03 -0.54 0.60 -1.38 0.21 0.00 0.00 175.17 174.10 2a3x s HIS 19 N 2.42 -0.55 -0.19 4.23 -3.43 -0.75 -4.37 115.29 112.65 2a3x s HIS 19 Ca 0.48 0.69 -0.04 0.00 -0.80 0.00 0.00 55.06 55.39 2a3x s HIS 19 Cb -0.18 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.37 2a3x s HIS 19 CO 0.15 -0.69 -0.02 0.08 -2.00 0.00 0.00 174.74 172.26 2a3x s VAL 20 N -2.31 3.77 -0.03 -5.38 1.01 -0.10 -1.81 120.40 115.55 2a3x s VAL 20 Ca -0.06 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 2a3x s VAL 20 Cb -0.01 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2a3x s VAL 20 CO -0.00 0.44 0.65 0.20 0.00 0.00 0.00 175.10 176.39 2a3x s ASN 21 N 0.98 7.00 -0.21 3.32 0.01 0.29 -0.36 114.94 125.98 2a3x s ASN 21 Ca 0.01 1.19 -0.07 0.00 -0.71 0.00 0.00 52.86 53.29 2a3x s ASN 21 Cb -0.14 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 2a3x s ASN 21 CO 0.01 0.00 0.04 -0.76 -1.51 0.00 0.00 177.10 174.89 2a3x s LEU 22 N 0.24 3.52 -0.27 0.60 1.02 0.15 -0.62 118.68 123.32 2a3x s LEU 22 Ca 0.34 -0.09 -0.04 0.00 0.02 0.00 0.00 54.13 54.36 2a3x s LEU 22 Cb -0.18 -1.91 0.02 0.00 0.02 0.00 0.00 46.19 44.14 2a3x s LEU 22 CO 0.18 0.08 0.00 -0.63 0.02 0.00 0.00 176.35 176.00 2a3x s ILE 23 N 0.92 3.35 0.05 -0.59 1.01 -0.06 -3.96 121.20 121.92 2a3x s ILE 23 Ca 0.03 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.85 2a3x s ILE 23 Cb -0.14 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2a3x s ILE 23 CO 0.02 0.13 -0.22 0.28 0.00 0.00 0.00 174.94 175.16 2a3x s THR 24 N 1.40 1.76 0.00 2.92 -1.32 -1.26 -4.39 115.64 114.75 2a3x s THR 24 Ca 0.01 -1.29 -0.01 0.00 -1.21 0.00 0.00 61.69 59.19 2a3x s THR 24 Cb -0.17 -1.54 -0.05 0.00 -1.51 0.00 0.00 72.50 69.23 2a3x s THR 24 CO -0.01 0.19 2.16 -0.81 -2.21 0.00 0.00 174.62 173.94 2a3x n PRO 25 N 1.71 1.11 -2.71 7.08 -0.04 -1.26 -4.90 135.00 135.99 2a3x n PRO 25 Ca -0.17 -0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 62.68 2a3x n PRO 25 Cb 0.53 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 4.28 0.00 1.53 2.96 -1.26 -4.88 118.68 121.32 2a3x s LEU 26 Ca 0.12 1.55 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 2a3x s LEU 26 Cb 0.06 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.21 2a3x s LEU 26 CO 0.00 -0.38 0.09 -0.62 -1.32 0.00 0.00 176.35 174.12 2a3x n GLU 27 N 4.64 0.03 -5.20 1.98 1.02 -1.26 -3.42 120.64 118.44 2a3x n GLU 27 Ca 0.08 -0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 56.81 2a3x n GLU 27 Cb 0.49 -0.54 -0.17 0.00 -0.02 0.00 0.00 31.44 31.21 2a3x n GLU 27 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2a3x s LYS 28 N -0.03 2.75 0.15 3.49 1.02 -1.26 -4.81 119.74 121.04 2a3x s LYS 28 Ca 0.00 -0.86 -0.34 0.00 0.02 0.00 0.00 55.97 54.79 2a3x s LYS 28 Cb 0.00 -2.18 -0.16 0.00 -0.52 0.00 0.00 37.83 34.96 2a3x s LYS 28 CO 0.00 0.26 1.16 -2.30 -0.92 0.00 0.00 175.35 173.55 2a3x n PRO 29 N 3.28 1.02 -2.81 -1.68 -0.02 -1.26 -4.61 135.00 128.92 2a3x n PRO 29 Ca -0.18 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 2a3x n PRO 29 Cb 0.53 -1.87 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.68 4.04 -0.12 2.45 1.02 0.39 -4.86 118.68 122.27 2a3x s LEU 30 Ca 0.76 0.90 -0.25 0.00 0.02 0.00 0.00 54.13 55.55 2a3x s LEU 30 Cb -0.90 -3.29 -0.27 0.00 0.02 0.00 0.00 46.19 41.75 2a3x s LEU 30 CO 0.52 -0.70 0.72 -0.61 0.02 0.00 0.00 176.35 176.30 2a3x h GLN 31 N 7.99 0.09 -4.98 1.70 4.15 -1.87 -1.19 115.11 121.00 2a3x h GLN 31 Ca -0.22 -0.15 -0.32 0.00 0.77 0.00 0.00 58.65 58.72 2a3x h GLN 31 Cb 1.08 0.06 -0.17 0.00 0.21 0.00 0.00 27.48 28.65 2a3x h GLN 31 CO 0.94 1.07 -0.73 -0.80 -1.93 0.00 0.00 178.83 177.38 2a3x s ASN 32 N -6.53 1.50 0.20 -0.69 0.01 -1.26 -3.14 114.94 105.02 2a3x s ASN 32 Ca -0.19 -0.84 -0.22 0.00 -0.71 0.00 0.00 52.86 50.90 2a3x s ASN 32 Cb -0.01 0.01 0.05 0.00 0.41 0.00 0.00 41.25 41.71 2a3x s ASN 32 CO 0.72 -0.27 0.64 0.72 -1.51 0.00 0.00 177.10 177.40 2a3x s PHE 33 N -2.55 -0.42 -0.03 2.20 -0.12 -1.10 -3.93 117.98 112.03 2a3x s PHE 33 Ca 0.07 0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.08 2a3x s PHE 33 Cb -0.02 0.61 0.03 0.00 -0.63 0.00 0.00 43.02 43.00 2a3x s PHE 33 CO 0.00 -0.98 -0.00 0.99 -0.05 0.00 0.00 175.22 175.18 2a3x s THR 34 N -3.81 0.21 -0.07 -4.49 2.01 -0.51 -2.16 115.64 106.82 2a3x s THR 34 Ca 0.04 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.14 2a3x s THR 34 Cb -0.03 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.19 2a3x s THR 34 CO -0.06 0.15 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.60 2a3x s LEU 35 N 0.96 1.93 -0.01 4.42 2.96 0.10 -0.16 118.68 128.89 2a3x s LEU 35 Ca -0.10 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2a3x s LEU 35 Cb -0.13 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.42 2a3x s LEU 35 CO -0.01 0.14 0.01 0.00 -1.32 0.00 0.00 176.35 175.17 2a3x s PHE 37 N 0.08 -0.27 -0.16 0.00 -0.12 0.17 -0.37 117.98 117.31 2a3x s PHE 37 Ca -0.01 -0.11 -0.06 0.00 -0.05 0.00 0.00 56.93 56.71 2a3x s PHE 37 Cb -0.01 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 2a3x s PHE 37 CO -0.00 -1.10 0.03 1.03 -0.05 0.00 0.00 175.22 175.12 2a3x s ARG 38 N -3.87 3.77 -0.03 1.99 0.52 0.13 0.35 118.95 121.81 2a3x s ARG 38 Ca 0.08 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 2a3x s ARG 38 Cb -0.04 -3.08 -0.00 0.00 0.52 0.00 0.00 34.95 32.35 2a3x s ARG 38 CO 0.01 0.32 -0.11 0.00 0.02 0.00 0.00 175.30 175.54 2a3x s ALA 39 N 0.20 1.01 -0.12 2.13 0.00 0.97 -0.35 121.76 125.60 2a3x s ALA 39 Ca 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 2a3x s ALA 39 Cb -0.13 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.68 2a3x s ALA 39 CO 0.01 0.18 -0.04 -0.47 0.00 0.00 0.00 175.76 175.45 2a3x s TYR 40 N 0.08 1.26 -0.09 0.00 5.04 -0.09 -0.94 117.35 122.62 2a3x s TYR 40 Ca -0.02 -0.68 -0.23 0.00 -2.44 0.00 0.00 57.07 53.71 2a3x s TYR 40 Cb -0.08 -1.11 0.05 0.00 0.35 0.00 0.00 41.96 41.17 2a3x s TYR 40 CO 0.01 -0.50 0.54 0.45 -1.34 0.00 0.00 175.55 174.71 2a3x s SER 41 N 1.78 -0.50 -0.04 4.32 0.15 -1.26 -0.18 113.70 117.97 2a3x s SER 41 Ca 0.03 0.65 0.17 0.00 0.70 0.00 0.00 55.95 57.51 2a3x s SER 41 Cb -0.14 0.65 0.54 0.00 -1.71 0.00 0.00 66.02 65.36 2a3x s SER 41 CO -0.07 -0.45 1.45 -0.90 1.20 0.00 0.00 173.24 174.48 2a3x n ASP 42 N 1.54 3.79 -4.71 5.45 5.68 -1.26 -4.48 116.55 122.55 2a3x n ASP 42 Ca -0.18 -2.18 -0.42 0.00 -0.50 0.00 0.00 54.79 51.50 2a3x n ASP 42 Cb 0.56 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 2a3x n ASP 42 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2a3x n LEU 43 N 0.97 3.98 -0.01 -2.12 7.94 -1.26 -4.90 117.00 121.61 2a3x n LEU 43 Ca 0.20 1.04 -0.21 0.00 -1.11 0.00 0.00 56.01 55.93 2a3x n LEU 43 Cb 0.64 -1.56 -0.14 0.00 0.53 0.00 0.00 43.42 42.89 2a3x n LEU 43 CO 0.15 0.17 -0.85 -1.20 -1.11 0.00 0.00 177.39 174.54 2a3x n SER 44 N 4.43 2.10 -3.88 1.96 7.64 -1.26 -4.95 113.62 119.67 2a3x n SER 44 Ca 0.17 0.18 -0.30 0.00 1.01 0.00 0.00 58.87 59.93 2a3x n SER 44 Cb 0.35 -0.82 0.24 0.00 -1.01 0.00 0.00 64.21 62.97 2a3x n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3x s ARG 45 N -2.56 -1.21 0.62 1.43 1.70 -1.26 -4.64 118.95 113.04 2a3x s ARG 45 Ca -0.23 0.02 -0.15 0.00 -0.47 0.00 0.00 55.73 54.89 2a3x s ARG 45 Cb 0.07 -1.59 -0.02 0.00 -0.57 0.00 0.00 34.95 32.84 2a3x s ARG 45 CO 0.76 -3.72 1.08 0.00 -1.08 0.00 0.00 175.30 172.34 2a3x s ALA 46 N -2.94 2.63 0.05 7.88 0.00 -1.25 -4.77 121.76 123.37 2a3x s ALA 46 Ca 0.70 0.46 -0.27 0.00 0.00 0.00 0.00 51.96 52.85 2a3x s ALA 46 Cb -0.11 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.82 2a3x s ALA 46 CO 0.56 -1.00 0.68 1.52 0.00 0.00 0.00 175.76 177.53 2a3x s TYR 47 N -2.40 -0.55 0.33 0.00 -0.85 -0.21 -4.53 117.35 109.14 2a3x s TYR 47 Ca 0.65 0.60 -0.18 0.00 -0.52 0.00 0.00 57.07 57.62 2a3x s TYR 47 Cb -0.18 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.57 2a3x s TYR 47 CO 0.39 -0.71 0.80 0.45 -1.52 0.00 0.00 175.55 174.96 2a3x s SER 48 N -2.10 6.91 -0.10 -0.18 0.15 -0.98 -0.31 113.70 117.08 2a3x s SER 48 Ca -0.03 1.44 0.11 0.00 0.70 0.00 0.00 55.95 58.18 2a3x s SER 48 Cb -0.01 -2.44 -0.16 0.00 -1.71 0.00 0.00 66.02 61.71 2a3x s SER 48 CO -0.04 -0.19 0.09 0.18 1.20 0.00 0.00 173.24 174.48 2a3x n LEU 49 N -0.17 0.00 -3.15 3.45 4.32 0.63 -4.43 117.00 117.65 2a3x n LEU 49 Ca 0.03 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.07 2a3x n LEU 49 Cb 0.53 0.24 -0.00 0.00 -1.62 0.00 0.00 43.42 42.57 2a3x n LEU 49 CO 0.41 0.24 0.33 0.12 -1.22 0.00 0.00 177.39 177.27 2a3x s PHE 50 N -2.41 -1.14 -0.17 -1.77 2.19 -1.03 -4.68 117.98 108.97 2a3x s PHE 50 Ca -0.06 0.81 -0.06 0.00 0.33 0.00 0.00 56.93 57.95 2a3x s PHE 50 Cb 0.04 0.25 -0.04 0.00 -1.31 0.00 0.00 43.02 41.97 2a3x s PHE 50 CO 0.51 -0.65 0.03 0.45 1.83 0.00 0.00 175.22 177.38 2a3x s SER 51 N 2.90 5.33 -0.28 6.13 0.15 -1.07 -1.40 113.70 125.46 2a3x s SER 51 Ca 0.16 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 2a3x s SER 51 Cb -0.08 -1.89 0.09 0.00 -1.71 0.00 0.00 66.02 62.43 2a3x s SER 51 CO -0.22 0.18 0.07 -0.47 1.20 0.00 0.00 173.24 174.00 2a3x s TYR 52 N 0.32 1.70 -0.08 3.44 6.14 -1.15 -1.40 117.35 126.32 2a3x s TYR 52 Ca 0.01 -1.62 0.05 0.00 0.64 0.00 0.00 57.07 56.15 2a3x s TYR 52 Cb -0.13 -1.61 -0.01 0.00 0.42 0.00 0.00 41.96 40.63 2a3x s TYR 52 CO 0.01 -0.82 -0.23 -0.80 0.64 0.00 0.00 175.55 174.34 2a3x s ASN 53 N 1.62 3.18 0.41 4.32 -0.87 -1.09 -2.06 114.94 120.46 2a3x s ASN 53 Ca 0.07 -0.51 0.08 0.00 -1.57 0.00 0.00 52.86 50.93 2a3x s ASN 53 Cb -0.17 -1.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.91 2a3x s ASN 53 CO -0.20 0.21 0.52 0.42 -2.57 0.00 0.00 177.10 175.48 2a3x s THR 54 N 0.07 3.02 0.11 1.60 -4.23 -1.05 -0.38 115.64 114.80 2a3x s THR 54 Ca -0.10 -1.07 -0.32 0.00 -1.18 0.00 0.00 61.69 59.02 2a3x s THR 54 Cb -0.16 -3.03 -0.11 0.00 1.34 0.00 0.00 72.50 70.54 2a3x s THR 54 CO 0.06 -0.01 1.82 1.67 -0.54 0.00 0.00 174.62 177.61 2a3x n GLN 55 N -1.77 2.69 -0.28 3.99 -0.06 -1.26 -1.48 117.38 119.22 2a3x n GLN 55 Ca 0.06 0.98 0.00 0.00 -2.00 0.00 0.00 57.00 56.04 2a3x n GLN 55 Cb 0.59 -2.86 0.00 0.00 -4.06 0.00 0.00 30.24 23.92 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 4.17 1.73 3.22 1.69 0.00 -1.26 -4.97 105.19 109.76 2a3x n GLY 56 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.09 3.14 -0.05 1.61 0.52 -0.55 -5.12 118.95 118.43 2a3x s ARG 57 Ca 0.00 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.45 2a3x s ARG 57 Cb 0.00 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 2a3x s ARG 57 CO 0.00 -0.08 -0.07 0.34 0.02 0.00 0.00 175.30 175.51 2a3x s ASP 58 N 1.03 4.61 -1.29 0.23 2.15 -1.26 -2.51 116.67 119.63 2a3x s ASP 58 Ca -0.01 -0.06 -0.03 0.00 0.43 0.00 0.00 52.55 52.87 2a3x s ASP 58 Cb -0.15 -1.13 -0.00 0.00 -0.30 0.00 0.00 42.92 41.34 2a3x s ASP 58 CO -0.04 0.34 0.66 0.59 -0.17 0.00 0.00 175.17 176.55 2a3x n ASN 59 N 2.04 -1.79 -0.04 -0.34 3.02 -1.26 -4.12 115.26 112.76 2a3x n ASN 59 Ca -0.17 -0.88 -0.15 0.00 -0.03 0.00 0.00 54.58 53.34 2a3x n ASN 59 Cb 0.53 -3.80 -0.07 0.00 -0.61 0.00 0.00 39.78 35.83 2a3x n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2a3x h GLU 60 N -1.83 0.62 -2.03 3.52 4.57 -1.66 -2.24 114.58 115.52 2a3x h GLU 60 Ca -0.62 -0.45 -0.42 0.00 -1.18 0.00 0.00 59.36 56.69 2a3x h GLU 60 Cb 1.36 0.08 -0.32 0.00 -0.16 0.00 0.00 28.75 29.71 2a3x h GLU 60 CO 0.56 1.07 -0.75 -1.17 -1.18 0.00 0.00 179.01 177.54 2a3x s LEU 61 N -8.66 0.24 -0.11 1.64 2.96 -0.98 -0.29 118.68 113.47 2a3x s LEU 61 Ca -0.12 -1.98 0.04 0.00 -0.22 0.00 0.00 54.13 51.85 2a3x s LEU 61 Cb 0.07 0.36 0.00 0.00 0.50 0.00 0.00 46.19 47.12 2a3x s LEU 61 CO 0.84 -0.23 -0.24 -0.22 -1.32 0.00 0.00 176.35 175.19 2a3x s LEU 62 N 1.05 2.10 -0.27 -0.68 2.96 -0.61 -2.94 118.68 120.28 2a3x s LEU 62 Ca 0.21 -0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 2a3x s LEU 62 Cb -0.11 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 2a3x s LEU 62 CO -0.05 0.14 0.16 -0.69 -1.32 0.00 0.00 176.35 174.58 2a3x s VAL 63 N 0.44 5.01 -0.02 1.68 1.01 -0.49 0.27 120.40 128.30 2a3x s VAL 63 Ca -0.16 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2a3x s VAL 63 Cb -0.17 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.85 2a3x s VAL 63 CO 0.07 0.27 0.03 -0.47 0.00 0.00 0.00 175.10 175.00 2a3x s TYR 64 N 1.72 0.06 -0.30 5.22 6.14 -0.88 -0.27 117.35 129.04 2a3x s TYR 64 Ca 0.07 0.14 -0.15 0.00 0.64 0.00 0.00 57.07 57.77 2a3x s TYR 64 Cb -0.16 -0.30 -0.03 0.00 0.42 0.00 0.00 41.96 41.89 2a3x s TYR 64 CO 0.09 -0.11 0.37 0.21 0.64 0.00 0.00 175.55 176.74 2a3x s LYS 65 N 1.29 3.85 0.07 4.97 2.20 0.58 -2.02 119.74 130.68 2a3x s LYS 65 Ca -0.06 -0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 55.33 2a3x s LYS 65 Cb -0.13 -3.71 -0.28 0.00 -1.51 0.00 0.00 37.83 32.20 2a3x s LYS 65 CO -0.03 -0.37 1.12 0.93 -0.36 0.00 0.00 175.35 176.64 2a3x h GLU 66 N 8.29 0.39 0.00 4.03 4.39 -1.82 -0.54 114.58 129.32 2a3x h GLU 66 Ca -0.31 -0.62 0.17 0.00 0.34 0.00 0.00 59.36 58.95 2a3x h GLU 66 Cb 1.16 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 2a3x h GLU 66 CO 0.66 1.28 0.53 2.89 -1.16 0.00 0.00 179.01 183.21 2a3x n ARG 67 N -3.63 0.32 -1.72 2.33 1.85 -1.26 -3.76 116.66 110.80 2a3x n ARG 67 Ca -0.11 -0.84 -0.42 0.00 -1.00 0.00 0.00 57.85 55.48 2a3x n ARG 67 Cb 1.02 1.21 -0.03 0.00 -1.05 0.00 0.00 32.46 33.61 2a3x n ARG 67 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2a3x n VAL 68 N -0.58 0.00 -2.85 8.89 0.31 -1.26 -2.76 118.33 120.08 2a3x n VAL 68 Ca 0.01 -0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 2a3x n VAL 68 Cb 0.42 -1.96 0.03 0.00 -0.91 0.00 0.00 33.84 31.42 2a3x n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a3x n GLY 69 N 3.94 -0.09 2.88 2.92 0.00 -1.26 -4.96 105.19 108.61 2a3x n GLY 69 Ca 0.16 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2a3x n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a3x s GLU 70 N -5.41 0.35 -0.09 1.61 2.12 -1.11 -1.63 118.70 114.54 2a3x s GLU 70 Ca 0.24 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.84 2a3x s GLU 70 Cb -0.10 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.75 2a3x s GLU 70 CO 0.29 -0.82 -0.06 0.71 -0.54 0.00 0.00 175.26 174.84 2a3x s TYR 71 N 2.50 2.97 0.08 5.30 2.02 -0.40 -3.33 117.35 126.49 2a3x s TYR 71 Ca 0.11 -0.08 0.08 0.00 -0.37 0.00 0.00 57.07 56.81 2a3x s TYR 71 Cb -0.14 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2a3x s TYR 71 CO -0.23 0.22 -0.21 -1.12 -1.57 0.00 0.00 175.55 172.65 2a3x s SER 72 N -0.47 2.54 -0.07 2.29 0.01 -0.86 -0.94 113.70 116.21 2a3x s SER 72 Ca 0.07 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.75 2a3x s SER 72 Cb -0.12 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2a3x s SER 72 CO 0.02 0.10 -0.19 -0.22 0.41 0.00 0.00 173.24 173.37 2a3x s LEU 73 N -1.62 1.91 -0.15 2.44 2.96 -0.79 -2.07 118.68 121.35 2a3x s LEU 73 Ca 0.07 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2a3x s LEU 73 Cb -0.10 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 2a3x s LEU 73 CO 0.03 0.13 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.87 2a3x s TYR 74 N 0.27 3.09 -0.15 5.38 1.51 0.14 -1.58 117.35 126.01 2a3x s TYR 74 Ca -0.11 -0.14 -0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2a3x s TYR 74 Cb -0.15 -1.95 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2a3x s TYR 74 CO 0.05 0.08 -0.08 0.42 -1.11 0.00 0.00 175.55 174.91 2a3x s ILE 75 N 0.16 1.23 -1.48 2.71 -1.09 1.00 -1.58 121.20 122.15 2a3x s ILE 75 Ca 0.00 -0.57 -0.10 0.00 -2.23 0.00 0.00 60.65 57.75 2a3x s ILE 75 Cb -0.13 -1.30 0.06 0.00 -1.58 0.00 0.00 42.46 39.51 2a3x s ILE 75 CO 0.02 0.26 0.88 0.61 -1.23 0.00 0.00 174.94 175.48 2a3x n GLY 76 N 4.86 -0.43 2.88 6.18 0.00 0.60 -1.64 105.19 117.64 2a3x n GLY 76 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.56 0.00 -2.85 1.61 1.74 -0.85 -4.98 116.66 106.77 2a3x n ARG 77 Ca -0.06 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.67 2a3x n ARG 77 Cb 0.57 -0.43 -0.07 0.00 -1.02 0.00 0.00 32.46 31.51 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 -1.27 3.49 0.13 -1.55 3.76 -0.65 -5.03 115.29 114.17 2a3x s HIS 78 Ca 0.00 1.63 0.04 0.00 -0.15 0.00 0.00 55.06 56.58 2a3x s HIS 78 Cb 0.00 -2.83 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 2a3x s HIS 78 CO 0.00 0.06 -0.10 -1.59 -0.85 0.00 0.00 174.74 172.26 2a3x s LYS 79 N -2.65 0.99 0.04 1.40 -2.85 -1.26 -0.00 119.74 115.42 2a3x s LYS 79 Ca 0.55 -1.35 0.02 0.00 -1.00 0.00 0.00 55.97 54.19 2a3x s LYS 79 Cb -0.13 -0.61 -0.02 0.00 -2.06 0.00 0.00 37.83 35.00 2a3x s LYS 79 CO 0.18 0.08 -0.08 0.14 0.10 0.00 0.00 175.35 175.77 2a3x s VAL 80 N -3.00 0.56 -0.05 1.79 -7.23 -0.61 -4.99 120.40 106.86 2a3x s VAL 80 Ca 0.13 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 2a3x s VAL 80 Cb 0.01 -0.65 0.03 0.00 0.56 0.00 0.00 36.38 36.32 2a3x s VAL 80 CO 0.00 -0.40 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.49 2a3x s THR 81 N -1.45 0.38 -0.04 5.32 2.01 -1.26 -1.89 115.64 118.70 2a3x s THR 81 Ca -0.09 0.02 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2a3x s THR 81 Cb -0.09 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 2a3x s THR 81 CO 0.00 0.21 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.51 2a3x s SER 82 N 1.27 2.37 0.24 3.53 0.01 -0.11 -4.97 113.70 116.03 2a3x s SER 82 Ca -0.06 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.86 2a3x s SER 82 Cb -0.13 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 2a3x s SER 82 CO -0.02 0.19 0.37 -0.54 0.41 0.00 0.00 173.24 173.65 2a3x s LYS 83 N -0.10 3.44 -0.23 12.44 1.02 -1.26 -1.27 119.74 133.78 2a3x s LYS 83 Ca -0.01 -0.70 -0.18 0.00 0.02 0.00 0.00 55.97 55.09 2a3x s LYS 83 Cb -0.11 -2.88 0.06 0.00 -0.52 0.00 0.00 37.83 34.38 2a3x s LYS 83 CO 0.02 0.42 0.59 0.54 -0.92 0.00 0.00 175.35 175.99 2a3x s VAL 84 N -1.98 -0.00 0.03 3.17 0.11 -0.65 -4.75 120.40 116.33 2a3x s VAL 84 Ca 0.35 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 2a3x s VAL 84 Cb -0.09 -0.83 -0.08 0.00 -1.53 0.00 0.00 36.38 33.85 2a3x s VAL 84 CO 0.29 0.01 1.80 -0.63 -3.33 0.00 0.00 175.10 173.24 2a3x s ILE 85 N 0.79 3.09 -0.05 7.04 1.01 -1.26 -4.29 121.20 127.53 2a3x s ILE 85 Ca -0.04 0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.70 2a3x s ILE 85 Cb -0.05 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.27 2a3x s ILE 85 CO -0.06 -0.02 0.47 -1.83 0.00 0.00 0.00 174.94 173.51 2a3x s GLU 86 N 3.69 0.81 0.36 2.79 -1.05 -1.26 -5.05 118.70 118.98 2a3x s GLU 86 Ca 0.80 0.08 -0.23 0.00 -0.15 0.00 0.00 54.97 55.47 2a3x s GLU 86 Cb -0.40 0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 33.56 2a3x s GLU 86 CO 0.36 -0.23 0.93 0.15 0.95 0.00 0.00 175.26 177.42 2a3x s LYS 87 N -1.10 4.41 -0.08 -4.83 1.02 -1.26 -4.87 119.74 113.04 2a3x s LYS 87 Ca -0.11 1.20 0.02 0.00 0.02 0.00 0.00 55.97 57.10 2a3x s LYS 87 Cb -0.03 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2a3x s LYS 87 CO 0.06 0.16 -0.12 0.12 -0.92 0.00 0.00 175.35 174.65 2a3x s PHE 88 N -1.84 1.54 0.51 3.18 5.36 -1.26 -3.49 117.98 121.97 2a3x s PHE 88 Ca 0.55 -0.61 -0.07 0.00 -0.96 0.00 0.00 56.93 55.84 2a3x s PHE 88 Cb -0.14 -1.14 -0.04 0.00 -0.34 0.00 0.00 43.02 41.36 2a3x s PHE 88 CO 0.19 -0.33 0.84 -1.25 -1.46 0.00 0.00 175.22 173.21 2a3x s PRO 89 N 0.81 3.57 -0.20 10.12 0.05 -1.26 -5.18 135.00 142.91 2a3x s PRO 89 Ca -0.12 0.34 -0.24 0.00 0.05 0.00 0.00 61.00 61.03 2a3x s PRO 89 Cb -0.15 -2.31 0.06 0.00 0.05 0.00 0.00 34.50 32.15 2a3x s PRO 89 CO 0.02 -0.28 0.66 0.00 0.05 0.00 0.00 177.00 177.45 2a3x s ALA 90 N -2.81 -1.65 0.79 8.56 0.00 -1.23 -5.09 121.76 120.33 2a3x s ALA 90 Ca 0.49 1.72 -0.13 0.00 0.00 0.00 0.00 51.96 54.05 2a3x s ALA 90 Cb -0.10 -0.84 0.07 0.00 0.00 0.00 0.00 23.12 22.24 2a3x s ALA 90 CO 0.46 -0.32 1.18 -2.14 0.00 0.00 0.00 175.76 174.93 2a3x s PRO 91 N -0.00 1.84 -0.18 0.00 0.02 -1.26 -4.57 135.00 130.84 2a3x s PRO 91 Ca -0.03 1.64 -0.20 0.00 0.02 0.00 0.00 61.00 62.43 2a3x s PRO 91 Cb -0.04 -1.81 0.05 0.00 0.02 0.00 0.00 34.50 32.73 2a3x s PRO 91 CO 0.03 -2.04 0.56 0.54 -0.33 0.00 0.00 177.00 175.76 2a3x s VAL 92 N -2.27 0.00 -0.24 3.83 0.11 -0.12 -4.99 120.40 116.72 2a3x s VAL 92 Ca 0.71 -0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.62 2a3x s VAL 92 Cb -0.26 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 2a3x s VAL 92 CO 0.50 -0.02 0.19 -2.28 -3.33 0.00 0.00 175.10 170.16 2a3x s HIS 93 N 0.06 3.31 -0.13 1.54 2.46 -1.26 -0.02 115.29 121.24 2a3x s HIS 93 Ca -0.02 0.25 -0.00 0.00 0.47 0.00 0.00 55.06 55.75 2a3x s HIS 93 Cb -0.04 -2.31 -0.01 0.00 -0.13 0.00 0.00 32.58 30.09 2a3x s HIS 93 CO 0.02 0.03 -0.13 0.42 -2.47 0.00 0.00 174.74 172.61 2a3x s ILE 94 N 1.18 3.05 -0.14 0.89 1.01 0.15 -2.03 121.20 125.31 2a3x s ILE 94 Ca 0.08 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 2a3x s ILE 94 Cb -0.14 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.08 2a3x s ILE 94 CO 0.06 0.52 -0.08 0.00 0.00 0.00 0.00 174.94 175.44 2a3x s VAL 96 N 1.63 1.86 -0.05 0.00 0.11 0.88 0.39 120.40 125.22 2a3x s VAL 96 Ca 0.03 -0.95 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 2a3x s VAL 96 Cb -0.14 -1.59 0.01 0.00 -1.53 0.00 0.00 36.38 33.14 2a3x s VAL 96 CO -0.09 0.52 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.18 2a3x s SER 97 N 0.00 1.27 -0.03 3.54 1.04 -0.43 0.02 113.70 119.10 2a3x s SER 97 Ca -0.07 -0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.24 2a3x s SER 97 Cb -0.14 -0.54 -0.02 0.00 0.10 0.00 0.00 66.02 65.42 2a3x s SER 97 CO 0.04 0.00 -0.26 0.86 0.98 0.00 0.00 173.24 174.87 2a3x s TRP 98 N 0.65 2.37 -0.21 5.02 -0.00 -0.92 -0.54 118.94 125.31 2a3x s TRP 98 Ca -0.11 -0.55 0.02 0.00 -0.00 0.00 0.00 56.10 55.46 2a3x s TRP 98 Cb -0.14 -1.54 0.04 0.00 -0.00 0.00 0.00 33.47 31.83 2a3x s TRP 98 CO 0.02 -0.11 -0.16 -2.00 -0.00 0.00 0.00 176.95 174.70 2a3x s GLU 99 N -0.44 2.59 0.17 5.86 2.12 -0.79 -2.72 118.70 125.49 2a3x s GLU 99 Ca 0.05 -0.99 -0.11 0.00 0.36 0.00 0.00 54.97 54.28 2a3x s GLU 99 Cb -0.11 -2.63 0.07 0.00 0.26 0.00 0.00 34.13 31.71 2a3x s GLU 99 CO 0.01 -0.36 1.69 1.03 -0.54 0.00 0.00 175.26 177.09 2a3x h SER 100 N 7.89 0.88 -0.63 -1.70 0.87 -1.85 1.18 113.55 120.20 2a3x h SER 100 Ca -0.34 -0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.06 2a3x h SER 100 Cb 1.10 -0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 62.77 2a3x h SER 100 CO 0.55 0.88 0.30 0.77 -0.53 0.00 0.00 176.83 178.81 2a3x h SER 101 N 0.85 0.41 0.09 6.23 4.64 -1.92 0.37 113.55 124.22 2a3x h SER 101 Ca 0.19 0.05 -0.36 0.00 -0.47 0.00 0.00 61.79 61.20 2a3x h SER 101 Cb 0.33 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 2a3x h SER 101 CO -0.00 0.25 -2.26 -1.54 -0.87 0.00 0.00 176.83 172.41 2a3x n SER 102 N -4.88 0.47 0.00 4.97 3.41 -1.18 -4.65 113.62 111.76 2a3x n SER 102 Ca 0.08 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2a3x n SER 102 Cb 0.21 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 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 1.78 0.73 3.62 5.00 0.00 0.41 -4.80 105.19 111.93 2a3x n GLY 103 Ca -0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.69 3.64 -0.25 -0.61 -1.09 -1.09 -0.02 121.20 119.10 2a3x s ILE 104 Ca 0.00 0.71 -0.19 0.00 -2.23 0.00 0.00 60.65 58.94 2a3x s ILE 104 Cb 0.00 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2a3x s ILE 104 CO 0.00 -0.33 0.55 0.00 -1.23 0.00 0.00 174.94 173.93 2a3x s ALA 105 N 5.57 3.59 -0.22 9.38 0.00 0.45 -1.89 121.76 138.63 2a3x s ALA 105 Ca 0.73 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 2a3x s ALA 105 Cb -0.24 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 19.98 2a3x s ALA 105 CO 0.30 -0.70 -0.09 -2.00 0.00 0.00 0.00 175.76 173.27 2a3x s GLU 106 N 2.23 3.03 -0.15 0.00 2.12 0.30 -1.04 118.70 125.18 2a3x s GLU 106 Ca 0.23 -0.84 -0.04 0.00 0.36 0.00 0.00 54.97 54.68 2a3x s GLU 106 Cb -0.16 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 2a3x s GLU 106 CO 0.09 -0.30 -0.02 -0.06 -0.54 0.00 0.00 175.26 174.44 2a3x s PHE 107 N 1.36 3.08 -0.14 5.30 0.08 -1.26 -1.32 117.98 125.08 2a3x s PHE 107 Ca 0.03 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.92 2a3x s PHE 107 Cb -0.15 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2a3x s PHE 107 CO -0.06 0.05 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.33 2a3x s TRP 108 N 0.23 2.53 -0.22 0.36 0.52 0.16 -0.65 118.94 121.86 2a3x s TRP 108 Ca -0.01 -1.30 0.02 0.00 0.02 0.00 0.00 56.10 54.82 2a3x s TRP 108 Cb -0.13 -1.75 0.04 0.00 -1.15 0.00 0.00 33.47 30.48 2a3x s TRP 108 CO 0.02 -0.62 -0.15 0.42 0.02 0.00 0.00 176.95 176.64 2a3x s ILE 109 N 0.95 2.15 -1.42 2.03 -1.09 0.01 -1.30 121.20 122.52 2a3x s ILE 109 Ca -0.05 -1.30 -0.08 0.00 -2.23 0.00 0.00 60.65 57.00 2a3x s ILE 109 Cb -0.15 -2.09 0.05 0.00 -1.58 0.00 0.00 42.46 38.68 2a3x s ILE 109 CO -0.04 0.24 0.62 0.59 -1.23 0.00 0.00 174.94 175.13 2a3x n ASN 110 N 4.53 -4.90 0.00 3.58 3.02 -0.86 -1.81 115.26 118.82 2a3x n ASN 110 Ca -0.17 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 2a3x n ASN 110 Cb 0.46 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 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 -1.41 1.43 3.77 7.41 0.00 -1.26 -5.04 105.19 110.08 2a3x n GLY 111 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.38 5.38 0.05 2.61 2.01 -0.75 -4.93 115.64 117.64 2a3x s THR 112 Ca 0.00 0.32 -0.27 0.00 0.31 0.00 0.00 61.69 62.05 2a3x s THR 112 Cb 0.00 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 2a3x s THR 112 CO 0.00 0.47 0.85 -2.16 -0.69 0.00 0.00 174.62 173.09 2a3x s PRO 113 N 0.03 4.57 0.54 4.92 0.04 -1.26 -0.81 135.00 143.03 2a3x s PRO 113 Ca 0.12 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.38 2a3x s PRO 113 Cb -0.12 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 31.05 2a3x s PRO 113 CO 0.02 0.20 0.78 -0.51 0.04 0.00 0.00 177.00 177.53 2a3x s LEU 114 N 0.16 3.35 -0.12 -3.56 1.43 0.17 -4.97 118.68 115.14 2a3x s LEU 114 Ca 0.43 0.26 -0.35 0.00 -1.03 0.00 0.00 54.13 53.44 2a3x s LEU 114 Cb -0.21 -3.11 -0.12 0.00 0.03 0.00 0.00 46.19 42.78 2a3x s LEU 114 CO 0.26 -1.02 1.86 0.52 0.23 0.00 0.00 176.35 178.20 2a3x n VAL 115 N -2.35 0.54 -1.76 -1.59 0.31 -1.26 -4.56 118.33 107.66 2a3x n VAL 115 Ca 0.05 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 2a3x n VAL 115 Cb 0.59 -1.77 -0.00 0.00 -0.91 0.00 0.00 33.84 31.74 2a3x n VAL 115 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2a3x n LYS 116 N 6.47 2.57 -4.50 5.55 5.02 -1.26 -4.82 118.16 127.20 2a3x n LYS 116 Ca 0.23 0.90 -0.23 0.00 -2.02 0.00 0.00 58.31 57.19 2a3x n LYS 116 Cb 0.27 -2.61 -0.10 0.00 -0.02 0.00 0.00 35.03 32.56 2a3x n LYS 116 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2a3x s LYS 117 N -1.81 1.75 -0.08 1.97 -0.14 -0.21 -4.98 119.74 116.25 2a3x s LYS 117 Ca 0.55 -2.00 -0.06 0.00 -1.36 0.00 0.00 55.97 53.11 2a3x s LYS 117 Cb -0.50 -0.97 0.03 0.00 -1.68 0.00 0.00 37.83 34.71 2a3x s LYS 117 CO 0.61 -0.22 0.20 0.20 -0.76 0.00 0.00 175.35 175.38 2a3x s GLY 118 N -3.55 -0.13 -0.05 -3.33 0.00 -1.26 0.17 107.32 99.17 2a3x s GLY 118 Ca 0.33 0.64 -0.29 0.00 0.00 0.00 0.00 44.72 45.40 2a3x s GLY 118 CO 0.15 0.67 0.65 0.48 0.00 0.00 0.00 173.10 175.05 2a3x s LEU 119 N 0.44 -0.52 -1.31 0.66 2.34 0.97 -4.94 118.68 116.32 2a3x s LEU 119 Ca -0.03 0.68 -0.06 0.00 0.06 0.00 0.00 54.13 54.78 2a3x s LEU 119 Cb -0.04 2.42 -0.00 0.00 -0.56 0.00 0.00 46.19 48.00 2a3x s LEU 119 CO -0.02 -0.59 0.58 0.54 -1.06 0.00 0.00 176.35 175.81 2a3x n ARG 120 N 0.99 -3.07 -1.66 1.48 1.74 -1.26 -4.54 116.66 110.34 2a3x n ARG 120 Ca -0.19 0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 56.93 2a3x n ARG 120 Cb 0.57 -4.56 -0.03 0.00 -1.02 0.00 0.00 32.46 27.41 2a3x n ARG 120 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2a3x n GLN 121 N -4.31 2.74 -0.39 5.56 7.27 -1.26 -1.60 117.38 125.39 2a3x n GLN 121 Ca -0.25 1.00 0.00 0.00 0.07 0.00 0.00 57.00 57.82 2a3x n GLN 121 Cb 0.66 -2.97 0.00 0.00 2.41 0.00 0.00 30.24 30.34 2a3x n GLN 121 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2a3x n GLY 122 N 4.60 0.82 3.79 1.69 0.00 0.13 -5.01 105.19 111.22 2a3x n GLY 122 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.84 2.87 -0.16 1.61 5.04 -0.63 -5.02 117.35 118.23 2a3x s TYR 123 Ca 0.00 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 2a3x s TYR 123 Cb 0.00 -3.04 0.03 0.00 0.35 0.00 0.00 41.96 39.30 2a3x s TYR 123 CO 0.00 -1.35 -0.13 -0.06 -1.34 0.00 0.00 175.55 172.67 2a3x s PHE 124 N -2.55 2.16 0.14 4.97 0.40 -1.26 -4.80 117.98 117.04 2a3x s PHE 124 Ca 0.63 -1.26 -0.30 0.00 -0.60 0.00 0.00 56.93 55.41 2a3x s PHE 124 Cb -0.17 -1.57 -0.07 0.00 0.51 0.00 0.00 43.02 41.71 2a3x s PHE 124 CO 0.43 -0.67 1.19 0.14 0.70 0.00 0.00 175.22 177.00 2a3x s VAL 125 N 1.49 3.77 0.57 -0.44 -7.23 -0.45 -4.81 120.40 113.30 2a3x s VAL 125 Ca 0.04 1.41 -0.19 0.00 -1.81 0.00 0.00 61.98 61.43 2a3x s VAL 125 Cb -0.13 -3.90 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 2a3x s VAL 125 CO -0.10 0.19 1.19 -1.61 -0.31 0.00 0.00 175.10 174.46 2a3x s GLU 126 N 0.22 3.10 0.62 4.82 0.41 -1.26 -0.46 118.70 126.15 2a3x s GLU 126 Ca 0.55 1.78 -0.04 0.00 -0.41 0.00 0.00 54.97 56.85 2a3x s GLU 126 Cb -0.31 -1.97 0.13 0.00 -1.78 0.00 0.00 34.13 30.20 2a3x s GLU 126 CO 0.34 -1.09 0.85 0.00 -0.49 0.00 0.00 175.26 174.87 2a3x n ALA 127 N -1.46 -0.24 -3.55 5.21 0.00 -1.26 -4.65 120.51 114.56 2a3x n ALA 127 Ca 0.13 -1.47 -0.24 0.00 0.00 0.00 0.00 53.44 51.86 2a3x n ALA 127 Cb 0.50 0.16 0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.65 -1.38 -0.85 0.00 6.02 -1.22 -4.86 117.38 112.44 2a3x n GLN 128 Ca 0.13 0.70 -0.02 0.00 -0.01 0.00 0.00 57.00 57.80 2a3x n GLN 128 Cb 0.45 -4.34 0.01 0.00 1.02 0.00 0.00 30.24 27.38 2a3x n GLN 128 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2a3x n PRO 129 N -3.52 0.59 -3.55 -1.09 -0.04 -1.26 -4.39 135.00 121.74 2a3x n PRO 129 Ca -0.10 -0.27 -0.27 0.00 -0.04 0.00 0.00 63.50 62.82 2a3x n PRO 129 Cb 0.59 -0.06 -0.15 0.00 -0.04 0.00 0.00 33.50 33.84 2a3x n PRO 129 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2a3x s LYS 130 N -2.61 0.16 -0.26 0.54 2.47 0.49 -4.93 119.74 115.61 2a3x s LYS 130 Ca 0.06 -0.35 -0.12 0.00 -1.56 0.00 0.00 55.97 54.01 2a3x s LYS 130 Cb -0.00 -1.33 -0.05 0.00 -1.46 0.00 0.00 37.83 34.99 2a3x s LYS 130 CO 0.04 -0.90 0.23 0.42 0.16 0.00 0.00 175.35 175.30 2a3x s ILE 131 N 2.14 5.29 0.09 5.43 1.01 -1.25 -2.68 121.20 131.22 2a3x s ILE 131 Ca 0.07 0.29 0.07 0.00 0.00 0.00 0.00 60.65 61.08 2a3x s ILE 131 Cb -0.16 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2a3x s ILE 131 CO -0.28 0.27 -0.19 0.68 0.00 0.00 0.00 174.94 175.42 2a3x s VAL 132 N 1.52 1.54 -0.00 2.92 -7.23 -0.49 0.31 120.40 118.97 2a3x s VAL 132 Ca 0.10 -1.43 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 2a3x s VAL 132 Cb -0.15 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 2a3x s VAL 132 CO 0.08 -0.07 -0.26 -0.76 -0.31 0.00 0.00 175.10 173.78 2a3x s LEU 133 N -1.77 2.10 0.00 1.32 1.02 0.52 -2.59 118.68 119.28 2a3x s LEU 133 Ca 0.04 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.69 2a3x s LEU 133 Cb -0.10 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.78 2a3x s LEU 133 CO 0.03 0.30 0.00 0.61 0.02 0.00 0.00 176.35 177.32 2a3x n GLY 134 N 2.23 3.33 3.32 -3.19 0.00 -1.26 -0.93 105.19 108.69 2a3x n GLY 134 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.66 1.67 -0.18 1.61 -1.52 -1.26 -0.93 119.66 118.39 2a3x s GLN 135 Ca 0.00 -1.97 -0.00 0.00 -1.95 0.00 0.00 55.36 51.44 2a3x s GLN 135 Cb 0.00 0.10 0.04 0.00 -0.22 0.00 0.00 33.01 32.94 2a3x s GLN 135 CO 0.00 -0.55 -0.05 -2.00 -0.25 0.00 0.00 175.29 172.44 2a3x s GLU 136 N -3.66 1.44 0.23 2.91 -6.30 -1.26 -4.52 118.70 107.54 2a3x s GLU 136 Ca 0.37 -0.57 -0.30 0.00 -2.50 0.00 0.00 54.97 51.97 2a3x s GLU 136 Cb 0.04 -2.09 -0.09 0.00 0.00 0.00 0.00 34.13 31.99 2a3x s GLU 136 CO 0.22 -0.46 1.27 -0.65 0.02 0.00 0.00 175.26 175.66 2a3x s GLN 137 N 1.61 4.42 -0.01 4.30 -0.21 -1.26 -3.88 119.66 124.64 2a3x s GLN 137 Ca -0.00 2.04 0.13 0.00 0.02 0.00 0.00 55.36 57.54 2a3x s GLN 137 Cb -0.16 -3.17 -0.16 0.00 1.00 0.00 0.00 33.01 30.51 2a3x s GLN 137 CO -0.08 -0.16 0.44 -0.25 -2.12 0.00 0.00 175.29 173.12 2a3x n ASP 138 N 2.06 1.17 -2.23 5.90 8.00 -0.89 -4.63 116.55 125.93 2a3x n ASP 138 Ca 0.04 -0.48 -0.07 0.00 0.71 0.00 0.00 54.79 54.99 2a3x n ASP 138 Cb 0.43 1.24 -0.02 0.00 -0.02 0.00 0.00 41.12 42.75 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 -1.57 1.19 -4.57 -2.24 3.41 -1.00 -4.87 113.62 103.97 2a3x n SER 139 Ca 0.00 -1.62 -0.40 0.00 -0.26 0.00 0.00 58.87 56.60 2a3x n SER 139 Cb 0.26 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.92 2.56 0.00 7.33 5.04 -1.26 -3.87 117.35 125.23 2a3x s TYR 140 Ca 0.05 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.66 2a3x s TYR 140 Cb 0.00 -4.62 0.00 0.00 0.35 0.00 0.00 41.96 37.69 2a3x s TYR 140 CO 0.04 -1.79 0.00 0.41 -1.34 0.00 0.00 175.55 172.87 2a3x n GLY 141 N 6.03 2.14 0.00 8.97 0.00 -1.26 -5.03 105.19 116.04 2a3x n GLY 141 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.43 5.53 3.33 -0.02 0.00 -1.25 -5.00 105.19 107.36 2a3x n GLY 142 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 2a3x n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a3x n LYS 143 N 0.00 -1.79 -3.00 1.61 4.81 -1.26 -2.08 118.16 116.44 2a3x n LYS 143 Ca 0.00 0.90 -0.32 0.00 -0.87 0.00 0.00 58.31 58.02 2a3x n LYS 143 Cb 0.00 -5.29 -0.05 0.00 0.02 0.00 0.00 35.03 29.70 2a3x n LYS 143 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2a3x s PHE 144 N -3.31 3.39 -0.23 5.64 0.08 -1.26 -2.11 117.98 120.17 2a3x s PHE 144 Ca 0.36 1.24 -0.03 0.00 0.12 0.00 0.00 56.93 58.62 2a3x s PHE 144 Cb -0.07 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.82 2a3x s PHE 144 CO 0.78 -0.00 -0.05 0.34 -0.10 0.00 0.00 175.22 176.18 2a3x s ASP 145 N -2.50 4.28 0.15 1.36 -1.08 -1.25 -5.00 116.67 112.62 2a3x s ASP 145 Ca 0.55 -0.60 -0.17 0.00 -0.52 0.00 0.00 52.55 51.81 2a3x s ASP 145 Cb -0.10 -1.70 0.00 0.00 -1.46 0.00 0.00 42.92 39.66 2a3x s ASP 145 CO 0.21 -0.07 1.81 -0.09 0.52 0.00 0.00 175.17 177.54 2a3x h ARG 146 N 8.08 0.50 0.00 4.34 2.43 -1.92 -2.08 114.38 125.73 2a3x h ARG 146 Ca -0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2a3x h ARG 146 Cb 1.14 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2a3x h ARG 146 CO 0.60 0.34 0.00 -1.13 -1.51 0.00 0.00 179.97 178.26 2a3x n SER 147 N -4.82 0.00 0.00 -3.80 3.41 -1.26 -0.45 113.62 106.70 2a3x n SER 147 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 2a3x n SER 147 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.78 -0.30 -1.98 4.33 6.02 -0.82 -4.71 117.38 119.15 2a3x n GLN 148 Ca 0.02 -0.38 -0.37 0.00 -0.01 0.00 0.00 57.00 56.26 2a3x n GLN 148 Cb 0.01 -0.79 0.03 0.00 1.02 0.00 0.00 30.24 30.51 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 -0.07 5.48 -0.03 1.08 1.04 0.40 -2.32 113.70 119.28 2a3x s SER 149 Ca 0.00 2.54 -0.20 0.00 0.48 0.00 0.00 55.95 58.77 2a3x s SER 149 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 2a3x s SER 149 CO 0.00 -1.40 0.57 0.12 0.98 0.00 0.00 173.24 173.51 2a3x s PHE 150 N -1.45 3.64 -0.10 5.02 5.36 -0.11 -4.72 117.98 125.63 2a3x s PHE 150 Ca 0.71 1.13 -0.02 0.00 -0.96 0.00 0.00 56.93 57.80 2a3x s PHE 150 Cb -0.34 -2.60 0.03 0.00 -0.34 0.00 0.00 43.02 39.77 2a3x s PHE 150 CO 0.40 0.31 0.01 0.54 -1.46 0.00 0.00 175.22 175.01 2a3x s VAL 151 N 0.02 0.42 -3.75 3.12 0.11 -1.26 -4.76 120.40 114.30 2a3x s VAL 151 Ca 0.30 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2a3x s VAL 151 Cb -0.17 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 2a3x s VAL 151 CO 0.16 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 2a3x n GLY 152 N 5.12 -0.51 3.70 6.54 0.00 -0.63 -4.49 105.19 114.92 2a3x n GLY 152 Ca -0.08 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.50 2.75 -0.01 1.61 2.02 0.75 -1.37 118.70 122.95 2a3x s GLU 153 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.33 2a3x s GLU 153 Cb 0.00 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.59 2a3x s GLU 153 CO 0.00 0.60 -0.01 0.42 0.02 0.00 0.00 175.26 176.29 2a3x s ILE 154 N -1.17 0.14 0.38 -1.63 1.01 -0.33 -0.91 121.20 118.69 2a3x s ILE 154 Ca 0.22 -0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.77 2a3x s ILE 154 Cb -0.12 -0.17 0.04 0.00 0.01 0.00 0.00 42.46 42.22 2a3x s ILE 154 CO 0.13 0.08 0.68 0.61 0.00 0.00 0.00 174.94 176.44 2a3x n GLY 155 N 3.46 1.42 4.03 6.18 0.00 0.53 -0.83 105.19 119.99 2a3x n GLY 155 Ca -0.18 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 2a3x n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a3x n ASP 156 N -1.57 -0.64 -4.67 1.61 9.92 -1.26 0.17 116.55 120.11 2a3x n ASP 156 Ca -0.05 -1.04 -0.40 0.00 -0.53 0.00 0.00 54.79 52.77 2a3x n ASP 156 Cb 0.60 -2.85 -0.05 0.00 -0.64 0.00 0.00 41.12 38.17 2a3x n ASP 156 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2a3x s LEU 157 N -7.06 4.16 -0.04 0.64 1.98 -1.26 -3.92 118.68 113.18 2a3x s LEU 157 Ca 0.12 0.93 -0.02 0.00 -2.89 0.00 0.00 54.13 52.27 2a3x s LEU 157 Cb -0.06 -2.98 0.02 0.00 0.66 0.00 0.00 46.19 43.83 2a3x s LEU 157 CO 0.91 -0.30 0.09 -0.31 -1.89 0.00 0.00 176.35 174.85 2a3x s TYR 158 N 1.91 -0.08 -0.12 5.38 2.02 0.50 -2.11 117.35 124.86 2a3x s TYR 158 Ca 0.31 0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 57.28 2a3x s TYR 158 Cb -0.16 -0.08 0.03 0.00 -0.40 0.00 0.00 41.96 41.34 2a3x s TYR 158 CO 0.11 -0.10 -0.05 1.41 -1.57 0.00 0.00 175.55 175.35 2a3x s MET 159 N 0.71 1.32 0.23 -0.62 1.75 0.42 -1.09 119.30 122.02 2a3x s MET 159 Ca -0.06 -0.23 0.05 0.00 -1.25 0.00 0.00 55.69 54.21 2a3x s MET 159 Cb -0.08 -1.55 -0.03 0.00 2.84 0.00 0.00 34.83 36.01 2a3x s MET 159 CO -0.03 -0.31 0.29 -1.58 -0.65 0.00 0.00 175.02 172.74 2a3x s TRP 160 N 1.75 3.33 -0.66 4.11 0.51 0.77 -2.15 118.94 126.60 2a3x s TRP 160 Ca 0.04 -0.04 0.11 0.00 -2.12 0.00 0.00 56.10 54.09 2a3x s TRP 160 Cb -0.13 -1.52 0.57 0.00 -0.81 0.00 0.00 33.47 31.58 2a3x s TRP 160 CO -0.08 0.48 1.39 -0.40 -0.51 0.00 0.00 176.95 177.83 2a3x n ASP 161 N -1.22 4.19 -4.31 2.95 5.75 -1.26 -1.42 116.55 121.22 2a3x n ASP 161 Ca -0.08 -2.58 -0.17 0.00 -0.01 0.00 0.00 54.79 51.95 2a3x n ASP 161 Cb 0.57 -0.60 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 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 -0.61 1.79 -0.41 -1.12 1.04 -1.25 -4.27 113.70 108.87 2a3x s SER 162 Ca 0.38 -1.19 -0.18 0.00 0.48 0.00 0.00 55.95 55.45 2a3x s SER 162 Cb 0.28 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2a3x s SER 162 CO 0.13 -0.49 0.46 -0.69 0.98 0.00 0.00 173.24 173.63 2a3x s VAL 163 N -3.42 5.05 0.25 5.02 1.01 -1.26 -2.03 120.40 125.02 2a3x s VAL 163 Ca 0.27 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2a3x s VAL 163 Cb 0.05 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 2a3x s VAL 163 CO 0.07 -0.40 1.34 -0.76 0.00 0.00 0.00 175.10 175.36 2a3x s LEU 164 N 2.24 4.41 0.77 3.92 1.02 -1.26 -5.04 118.68 124.75 2a3x s LEU 164 Ca 0.14 2.55 -0.11 0.00 0.02 0.00 0.00 54.13 56.73 2a3x s LEU 164 Cb -0.16 -3.62 0.06 0.00 0.02 0.00 0.00 46.19 42.48 2a3x s LEU 164 CO 0.14 -0.57 1.08 -2.16 0.02 0.00 0.00 176.35 174.86 2a3x s PRO 165 N -0.62 2.26 0.33 1.29 0.04 -1.26 -4.85 135.00 132.19 2a3x s PRO 165 Ca 0.55 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.56 2a3x s PRO 165 Cb -0.39 -1.92 0.74 0.00 0.04 0.00 0.00 34.50 32.97 2a3x s PRO 165 CO 0.43 -1.56 1.84 -1.35 0.04 0.00 0.00 177.00 176.40 2a3x h PRO 166 N -1.06 0.76 0.00 0.56 0.11 -2.00 -1.46 132.00 128.91 2a3x h PRO 166 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2a3x h PRO 166 Cb 1.24 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2a3x h PRO 166 CO 0.56 0.50 -0.15 1.05 -0.21 0.00 0.00 178.00 179.75 2a3x h GLU 167 N 0.78 0.00 0.00 1.05 4.11 -1.99 -0.95 114.58 117.59 2a3x h GLU 167 Ca 0.49 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.72 2a3x h GLU 167 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2a3x h GLU 167 CO -0.26 0.15 -1.44 -0.91 0.07 0.00 0.00 179.01 176.62 2a3x h ASN 168 N 0.00 0.00 -0.08 3.06 2.35 -1.64 -2.43 115.58 116.83 2a3x h ASN 168 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2a3x h ASN 168 Cb 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 2a3x h ASN 168 CO 0.02 0.70 -0.05 0.40 -1.65 0.00 0.00 177.43 176.86 2a3x h ILE 169 N 0.00 1.33 -0.68 2.81 1.08 -1.22 -2.08 117.51 118.75 2a3x h ILE 169 Ca -0.19 -1.08 0.03 0.00 -0.39 0.00 0.00 64.86 63.23 2a3x h ILE 169 Cb 1.70 1.88 -0.04 0.00 -3.07 0.00 0.00 36.82 37.28 2a3x h ILE 169 CO 0.06 0.30 0.42 0.25 -0.69 0.00 0.00 178.15 178.49 2a3x h LEU 170 N -0.20 0.68 -1.33 1.44 6.46 -1.28 -1.96 115.31 119.13 2a3x h LEU 170 Ca 0.02 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 2a3x h LEU 170 Cb 0.50 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2a3x h LEU 170 CO 0.01 0.47 -0.34 -1.28 -0.62 0.00 0.00 178.44 176.69 2a3x h SER 171 N 0.82 0.00 0.04 1.25 0.87 -1.43 0.17 113.55 115.27 2a3x h SER 171 Ca 0.27 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2a3x h SER 171 Cb 0.03 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2a3x h SER 171 CO -0.11 0.34 -0.02 0.00 -0.53 0.00 0.00 176.83 176.51 2a3x h ALA 172 N 1.66 -0.06 -0.41 6.23 0.00 -0.80 -1.12 119.26 124.77 2a3x h ALA 172 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2a3x h ALA 172 Cb 0.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2a3x h ALA 172 CO 0.04 -0.40 0.03 -0.92 0.00 0.00 0.00 179.25 178.00 2a3x h TYR 173 N -0.33 0.67 0.00 0.00 3.20 -1.03 -1.62 116.97 117.86 2a3x h TYR 173 Ca -0.01 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2a3x h TYR 173 Cb 0.30 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2a3x h TYR 173 CO 0.02 0.62 0.00 0.94 -1.64 0.00 0.00 178.16 178.10 2a3x n GLN 174 N -4.26 0.15 0.00 1.82 -0.06 0.02 -4.89 117.38 110.15 2a3x n GLN 174 Ca 0.02 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.41 2a3x n GLN 174 Cb 0.25 -1.79 0.00 0.00 -4.06 0.00 0.00 30.24 24.64 2a3x n GLN 174 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2a3x n GLY 175 N -0.06 0.78 2.97 1.69 0.00 -0.61 -5.06 105.19 104.92 2a3x n GLY 175 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2a3x n GLY 175 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a3x s THR 176 N -2.00 2.93 0.40 2.61 -4.23 -0.44 -5.01 115.64 109.89 2a3x s THR 176 Ca 0.00 -3.48 -0.24 0.00 -1.18 0.00 0.00 61.69 56.79 2a3x s THR 176 Cb 0.00 -2.97 -0.09 0.00 1.34 0.00 0.00 72.50 70.78 2a3x s THR 176 CO 0.00 -0.87 1.03 -2.16 -0.54 0.00 0.00 174.62 172.09 2a3x s PRO 177 N -0.54 4.20 0.24 3.99 0.04 -1.26 -4.00 135.00 137.67 2a3x s PRO 177 Ca 0.19 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 2a3x s PRO 177 Cb -0.20 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 2a3x s PRO 177 CO -0.04 -0.10 1.23 -0.51 0.04 0.00 0.00 177.00 177.61 2a3x s LEU 178 N -2.64 4.46 0.19 -3.56 1.02 -1.26 -4.95 118.68 111.94 2a3x s LEU 178 Ca 0.58 2.38 -0.33 0.00 0.02 0.00 0.00 54.13 56.78 2a3x s LEU 178 Cb -0.21 -3.62 -0.14 0.00 0.02 0.00 0.00 46.19 42.24 2a3x s LEU 178 CO 0.26 -0.40 1.36 -0.81 0.02 0.00 0.00 176.35 176.79 2a3x n PRO 179 N 1.89 1.72 -4.33 1.29 -0.04 -1.26 -4.96 135.00 129.31 2a3x n PRO 179 Ca 0.03 0.62 -0.34 0.00 -0.04 0.00 0.00 63.50 63.76 2a3x n PRO 179 Cb 0.44 -2.25 -0.09 0.00 -0.04 0.00 0.00 33.50 31.56 2a3x n PRO 179 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a3x s ALA 180 N 0.14 3.31 -0.18 0.55 0.00 -1.26 -5.01 121.76 119.30 2a3x s ALA 180 Ca 0.73 -0.84 0.19 0.00 0.00 0.00 0.00 51.96 52.05 2a3x s ALA 180 Cb -0.74 -1.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2a3x s ALA 180 CO 0.48 0.61 0.97 -2.95 0.00 0.00 0.00 175.76 174.87 2a3x h ASN 181 N 4.91 0.00 0.00 0.00 7.08 -1.94 -3.42 115.58 122.21 2a3x h ASN 181 Ca -0.50 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.72 2a3x h ASN 181 Cb 1.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 2a3x h ASN 181 CO 0.55 0.31 -0.71 -0.38 -2.08 0.00 0.00 177.43 175.12 2a3x n ILE 182 N -2.82 1.07 -4.28 6.14 5.41 -0.92 -5.00 119.36 118.97 2a3x n ILE 182 Ca -0.04 0.24 -0.31 0.00 1.00 0.00 0.00 62.75 63.64 2a3x n ILE 182 Cb 0.70 -2.11 -0.16 0.00 -0.71 0.00 0.00 39.64 37.36 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 -7.08 1.89 -0.10 1.39 1.02 -0.93 -4.79 118.68 110.07 2a3x s LEU 183 Ca -0.21 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.43 2a3x s LEU 183 Cb 0.03 -1.29 0.01 0.00 0.02 0.00 0.00 46.19 44.96 2a3x s LEU 183 CO 0.30 0.00 -0.18 -0.62 0.02 0.00 0.00 176.35 175.87 2a3x s ASP 184 N 1.19 2.63 0.30 2.29 -1.08 -1.26 -0.44 116.67 120.30 2a3x s ASP 184 Ca -0.00 -0.47 0.08 0.00 -0.52 0.00 0.00 52.55 51.64 2a3x s ASP 184 Cb -0.14 -1.20 0.48 0.00 -1.46 0.00 0.00 42.92 40.60 2a3x s ASP 184 CO -0.07 0.07 1.70 -0.25 0.52 0.00 0.00 175.17 177.14 2a3x h TRP 185 N 7.11 0.18 0.00 -5.34 2.91 -1.79 -2.20 115.95 116.82 2a3x h TRP 185 Ca -0.28 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.69 2a3x h TRP 185 Cb 1.20 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.81 2a3x h TRP 185 CO 0.48 0.58 0.00 1.04 -1.03 0.00 0.00 178.44 179.50 2a3x n GLN 186 N -4.00 0.65 -2.75 2.65 6.02 -1.26 -1.75 117.38 116.94 2a3x n GLN 186 Ca -0.02 0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.94 2a3x n GLN 186 Cb 0.49 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.16 -2.06 -2.88 -1.58 0.00 -1.06 -3.85 120.51 107.93 2a3x n ALA 187 Ca 0.18 -0.93 -0.34 0.00 0.00 0.00 0.00 53.44 52.34 2a3x n ALA 187 Cb 0.17 -1.66 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 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 0.82 3.45 -0.44 0.00 2.96 -0.50 -4.30 118.68 120.67 2a3x s LEU 188 Ca 0.29 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.99 2a3x s LEU 188 Cb 0.02 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.90 2a3x s LEU 188 CO -0.06 0.20 0.50 0.20 -1.32 0.00 0.00 176.35 175.87 2a3x s ASN 189 N 0.20 6.23 0.20 3.68 0.01 -1.26 -2.10 114.94 121.90 2a3x s ASN 189 Ca 0.00 -0.65 0.06 0.00 -0.71 0.00 0.00 52.86 51.56 2a3x s ASN 189 Cb -0.13 -2.25 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 2a3x s ASN 189 CO 0.02 -0.66 -0.11 -0.72 -1.51 0.00 0.00 177.10 174.12 2a3x s TYR 190 N 2.33 1.59 -0.21 2.20 1.13 -1.26 -0.88 117.35 122.25 2a3x s TYR 190 Ca 0.14 -0.68 -0.02 0.00 -1.41 0.00 0.00 57.07 55.11 2a3x s TYR 190 Cb -0.17 -0.80 0.06 0.00 -1.10 0.00 0.00 41.96 39.95 2a3x s TYR 190 CO 0.14 0.23 0.01 -1.21 -2.51 0.00 0.00 175.55 172.21 2a3x s GLU 191 N -3.71 0.97 -0.13 -3.49 2.02 0.21 -4.96 118.70 109.61 2a3x s GLU 191 Ca 0.22 -0.63 -0.25 0.00 0.02 0.00 0.00 54.97 54.34 2a3x s GLU 191 Cb 0.01 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 2a3x s GLU 191 CO 0.06 -0.64 0.78 0.42 0.02 0.00 0.00 175.26 175.90 2a3x s ILE 192 N 1.70 4.94 -0.15 -1.63 1.01 -1.26 -0.55 121.20 125.27 2a3x s ILE 192 Ca -0.02 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.19 2a3x s ILE 192 Cb -0.18 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.22 2a3x s ILE 192 CO -0.08 0.11 -0.14 -0.13 0.00 0.00 0.00 174.94 174.70 2a3x s ARG 193 N 1.66 2.29 0.00 2.79 0.52 -0.75 -5.02 118.95 120.44 2a3x s ARG 193 Ca 0.38 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 2a3x s ARG 193 Cb -0.17 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.19 2a3x s ARG 193 CO 0.15 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.64 2a3x n GLY 194 N 4.77 0.95 2.98 -3.53 0.00 -1.26 -1.81 105.19 107.29 2a3x n GLY 194 Ca -0.17 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 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 3.25 -0.05 1.61 5.04 -1.26 -5.02 117.35 120.92 2a3x s TYR 195 Ca 0.00 -3.10 -0.02 0.00 -2.44 0.00 0.00 57.07 51.51 2a3x s TYR 195 Cb 0.00 -2.89 0.04 0.00 0.35 0.00 0.00 41.96 39.45 2a3x s TYR 195 CO 0.00 -0.75 0.09 0.54 -1.34 0.00 0.00 175.55 174.09 2a3x s VAL 196 N -0.34 -0.10 0.04 3.14 0.11 -1.26 -4.32 120.40 117.67 2a3x s VAL 196 Ca 0.18 0.27 0.03 0.00 -2.93 0.00 0.00 61.98 59.53 2a3x s VAL 196 Cb -0.24 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 2a3x s VAL 196 CO -0.02 0.11 -0.00 -0.63 -3.33 0.00 0.00 175.10 171.23 2a3x s ILE 197 N 1.52 4.07 -0.22 7.04 -1.09 -0.55 -4.94 121.20 127.05 2a3x s ILE 197 Ca -0.04 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.44 2a3x s ILE 197 Cb -0.12 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 2a3x s ILE 197 CO -0.04 0.27 0.42 -0.63 -1.23 0.00 0.00 174.94 173.72 2a3x s ILE 198 N -1.18 5.17 0.13 2.92 1.01 -1.26 -0.14 121.20 127.85 2a3x s ILE 198 Ca 0.22 0.73 0.06 0.00 0.00 0.00 0.00 60.65 61.66 2a3x s ILE 198 Cb -0.12 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2a3x s ILE 198 CO 0.14 0.21 -0.14 -0.54 0.00 0.00 0.00 174.94 174.60 2a3x s LYS 199 N 1.58 1.04 0.23 2.79 -0.14 -0.72 -4.96 119.74 119.56 2a3x s LYS 199 Ca 0.19 -1.25 -0.31 0.00 -1.36 0.00 0.00 55.97 53.24 2a3x s LYS 199 Cb -0.15 -0.94 -0.10 0.00 -1.68 0.00 0.00 37.83 34.96 2a3x s LYS 199 CO 0.09 0.18 1.53 -1.25 -0.76 0.00 0.00 175.35 175.14 2a3x s PRO 200 N -2.69 4.21 -0.16 -1.68 0.04 -1.26 0.37 135.00 133.84 2a3x s PRO 200 Ca 0.09 2.40 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 2a3x s PRO 200 Cb -0.05 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2a3x s PRO 200 CO 0.03 -0.54 1.69 -1.17 0.04 0.00 0.00 177.00 177.05 2a3x s LEU 201 N 0.18 4.02 -0.00 -3.56 2.96 0.14 -4.74 118.68 117.67 2a3x s LEU 201 Ca 0.64 1.88 0.06 0.00 -0.22 0.00 0.00 54.13 56.50 2a3x s LEU 201 Cb -0.44 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.64 2a3x s LEU 201 CO 0.40 -1.19 0.20 1.33 -1.32 0.00 0.00 176.35 175.76 2a3x n VAL 202 N 6.17 0.00 -0.05 1.68 0.24 -1.26 -4.71 118.33 120.40 2a3x n VAL 202 Ca 0.19 -0.28 0.06 0.00 -2.04 0.00 0.00 64.34 62.27 2a3x n VAL 202 Cb 0.44 0.76 0.26 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.36 1.16 -0.07 6.34 4.27 -1.26 -5.27 117.44 121.25 2a3x n TRP 203 Ca 0.00 -0.44 0.00 0.00 -3.89 0.00 0.00 57.50 53.18 2a3x n TRP 203 Cb 0.12 -0.25 0.00 0.00 -1.36 0.00 0.00 31.31 29.81 2a3x n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68