#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 1.96 -0.48 0.61 2.01 -0.04 -4.75 115.64 114.95 2a3x s THR 2 Ca 0.00 -1.51 -0.21 0.00 0.31 0.00 0.00 61.69 60.28 2a3x s THR 2 Cb 0.00 -1.73 0.04 0.00 0.01 0.00 0.00 72.50 70.82 2a3x s THR 2 CO 0.00 0.13 0.68 -0.62 -0.69 0.00 0.00 174.62 174.12 2a3x s ASP 3 N -1.67 6.29 -0.36 3.53 -1.08 -1.24 -0.43 116.67 121.71 2a3x s ASP 3 Ca 0.10 -0.54 0.08 0.00 -0.52 0.00 0.00 52.55 51.67 2a3x s ASP 3 Cb -0.10 -2.33 0.70 0.00 -1.46 0.00 0.00 42.92 39.73 2a3x s ASP 3 CO 0.04 -0.88 1.81 0.18 0.52 0.00 0.00 175.17 176.84 2a3x n LEU 4 N 6.40 6.12 -4.69 -1.34 4.32 -1.08 -4.98 117.00 121.75 2a3x n LEU 4 Ca -0.03 -3.40 -0.42 0.00 -0.02 0.00 0.00 56.01 52.14 2a3x n LEU 4 Cb 0.47 -0.77 -0.03 0.00 -1.62 0.00 0.00 43.42 41.47 2a3x n LEU 4 CO 0.55 0.93 1.30 -0.44 -1.22 0.00 0.00 177.39 178.51 2a3x s SER 5 N -1.28 6.63 0.00 -1.43 0.01 -1.26 -1.95 113.70 114.41 2a3x s SER 5 Ca 0.55 2.45 0.00 0.00 1.31 0.00 0.00 55.95 60.26 2a3x s SER 5 Cb 0.45 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2a3x s SER 5 CO 0.11 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.51 2a3x n GLY 6 N 3.95 0.51 3.42 3.44 0.00 -1.26 -5.04 105.19 110.20 2a3x n GLY 6 Ca 0.15 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.28 1.52 0.02 1.61 1.02 -0.82 -0.86 119.74 121.95 2a3x s LYS 7 Ca 0.00 -1.74 -0.00 0.00 0.02 0.00 0.00 55.97 54.25 2a3x s LYS 7 Cb 0.00 -1.21 -0.02 0.00 -0.52 0.00 0.00 37.83 36.07 2a3x s LYS 7 CO 0.00 0.10 -0.03 0.14 -0.92 0.00 0.00 175.35 174.64 2a3x s VAL 8 N -2.95 0.13 0.11 3.17 -7.23 0.13 -4.48 120.40 109.28 2a3x s VAL 8 Ca 0.28 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 2a3x s VAL 8 Cb 0.02 -0.40 -0.06 0.00 0.56 0.00 0.00 36.38 36.50 2a3x s VAL 8 CO 0.11 -0.55 1.04 -0.36 -0.31 0.00 0.00 175.10 175.03 2a3x s PHE 9 N -1.72 3.68 -0.28 2.82 0.08 0.43 -1.59 117.98 121.41 2a3x s PHE 9 Ca -0.13 1.66 -0.04 0.00 0.12 0.00 0.00 56.93 58.53 2a3x s PHE 9 Cb -0.08 -3.18 0.02 0.00 -0.57 0.00 0.00 43.02 39.21 2a3x s PHE 9 CO -0.02 -0.26 0.02 0.08 -0.10 0.00 0.00 175.22 174.94 2a3x s VAL 10 N 0.21 3.44 -0.70 -0.44 1.01 0.20 -1.89 120.40 122.24 2a3x s VAL 10 Ca 0.50 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 2a3x s VAL 10 Cb -0.26 -2.78 0.17 0.00 0.00 0.00 0.00 36.38 33.52 2a3x s VAL 10 CO 0.31 0.12 0.67 -0.36 0.00 0.00 0.00 175.10 175.84 2a3x s PHE 11 N 1.41 3.47 -1.09 5.22 0.40 0.36 -1.99 117.98 125.76 2a3x s PHE 11 Ca 0.01 -1.60 0.27 0.00 -0.60 0.00 0.00 56.93 55.01 2a3x s PHE 11 Cb -0.17 -3.85 0.86 0.00 0.51 0.00 0.00 43.02 40.38 2a3x s PHE 11 CO -0.01 -1.05 1.66 -2.30 0.70 0.00 0.00 175.22 174.22 2a3x n PRO 12 N 4.79 0.10 -3.74 0.24 -0.02 -1.26 -0.52 135.00 134.59 2a3x n PRO 12 Ca 0.01 -0.04 -0.11 0.00 -2.02 0.00 0.00 63.50 61.34 2a3x n PRO 12 Cb 0.44 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 2a3x n PRO 12 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2a3x s ARG 13 N -2.93 0.87 0.06 -0.52 1.04 -1.26 -4.94 118.95 111.27 2a3x s ARG 13 Ca 0.14 -0.57 -0.31 0.00 -1.04 0.00 0.00 55.73 53.95 2a3x s ARG 13 Cb 0.18 0.38 -0.07 0.00 -2.04 0.00 0.00 34.95 33.40 2a3x s ARG 13 CO 0.61 -0.29 1.47 -2.00 -0.04 0.00 0.00 175.30 175.04 2a3x s GLU 14 N -2.90 4.27 0.23 3.89 2.12 -1.26 -4.77 118.70 120.27 2a3x s GLU 14 Ca -0.03 2.11 -0.22 0.00 0.36 0.00 0.00 54.97 57.19 2a3x s GLU 14 Cb 0.00 -3.47 0.04 0.00 0.26 0.00 0.00 34.13 30.97 2a3x s GLU 14 CO -0.06 -0.58 0.67 -1.54 -0.54 0.00 0.00 175.26 173.22 2a3x s SER 15 N 1.75 -0.40 -0.11 -1.70 1.04 -1.26 -5.02 113.70 108.00 2a3x s SER 15 Ca 0.67 -0.34 0.16 0.00 0.48 0.00 0.00 55.95 56.93 2a3x s SER 15 Cb -0.36 0.67 0.61 0.00 0.10 0.00 0.00 66.02 67.04 2a3x s SER 15 CO 0.29 -1.18 1.52 0.55 0.98 0.00 0.00 173.24 175.41 2a3x n VAL 16 N -0.42 1.78 0.00 5.02 3.14 -1.26 -4.43 118.33 122.15 2a3x n VAL 16 Ca -0.10 -1.30 0.00 0.00 -2.96 0.00 0.00 64.34 59.98 2a3x n VAL 16 Cb 0.62 0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.52 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 0.69 0.00 -2.79 1.55 -1.04 -1.26 -4.79 114.28 106.63 2a3x n THR 17 Ca 0.22 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.81 2a3x n THR 17 Cb 0.81 -0.30 -0.04 0.00 -1.82 0.00 0.00 70.33 68.98 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 -2.28 6.72 0.09 8.00 1.01 -1.26 -4.47 116.67 124.48 2a3x s ASP 18 Ca 0.00 0.68 -0.12 0.00 0.71 0.00 0.00 52.55 53.82 2a3x s ASP 18 Cb 0.00 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.47 2a3x s ASP 18 CO 0.00 -0.83 0.29 -1.38 0.21 0.00 0.00 175.17 173.46 2a3x s HIS 19 N 3.44 -0.03 -0.18 4.23 -3.43 -0.69 -4.41 115.29 114.23 2a3x s HIS 19 Ca 0.39 -0.30 -0.02 0.00 -0.80 0.00 0.00 55.06 54.33 2a3x s HIS 19 Cb -0.12 0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 31.10 2a3x s HIS 19 CO 0.17 -0.59 -0.08 0.08 -2.00 0.00 0.00 174.74 172.32 2a3x s VAL 20 N -3.54 3.22 -0.27 -5.38 1.01 -0.96 -0.93 120.40 113.55 2a3x s VAL 20 Ca 0.02 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2a3x s VAL 20 Cb 0.03 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2a3x s VAL 20 CO -0.10 0.47 0.45 0.20 0.00 0.00 0.00 175.10 176.13 2a3x s ASN 21 N 0.95 6.34 -0.29 3.32 0.01 0.40 -1.47 114.94 124.21 2a3x s ASN 21 Ca -0.01 0.38 -0.18 0.00 -0.71 0.00 0.00 52.86 52.34 2a3x s ASN 21 Cb -0.15 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 2a3x s ASN 21 CO -0.00 -0.25 0.52 -0.76 -1.51 0.00 0.00 177.10 175.11 2a3x s LEU 22 N 2.20 4.12 -0.11 0.60 1.02 0.03 -0.71 118.68 125.84 2a3x s LEU 22 Ca 0.18 0.38 -0.17 0.00 0.02 0.00 0.00 54.13 54.54 2a3x s LEU 22 Cb -0.16 -2.66 -0.05 0.00 0.02 0.00 0.00 46.19 43.35 2a3x s LEU 22 CO 0.10 -0.35 0.43 -0.63 0.02 0.00 0.00 176.35 175.92 2a3x s ILE 23 N 2.36 5.18 0.03 -0.59 1.09 0.12 -4.08 121.20 125.32 2a3x s ILE 23 Ca 0.21 0.86 0.03 0.00 -1.10 0.00 0.00 60.65 60.65 2a3x s ILE 23 Cb -0.15 -3.77 -0.02 0.00 -1.06 0.00 0.00 42.46 37.46 2a3x s ILE 23 CO 0.10 0.38 -0.09 0.28 -0.10 0.00 0.00 174.94 175.51 2a3x s THR 24 N 0.34 0.69 -0.50 2.92 -1.32 -1.26 -4.41 115.64 112.09 2a3x s THR 24 Ca 0.24 -0.87 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 2a3x s THR 24 Cb -0.15 -0.67 0.41 0.00 -1.51 0.00 0.00 72.50 70.57 2a3x s THR 24 CO 0.09 -0.16 1.25 -0.81 -2.21 0.00 0.00 174.62 172.78 2a3x n PRO 25 N 1.91 2.65 -2.39 7.08 -0.04 -1.26 -4.92 135.00 138.03 2a3x n PRO 25 Ca -0.19 -1.62 -0.42 0.00 -0.04 0.00 0.00 63.50 61.23 2a3x n PRO 25 Cb 0.55 -1.82 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.52 3.45 0.00 1.53 2.96 -1.26 -4.84 118.68 118.99 2a3x s LEU 26 Ca 0.29 0.39 0.18 0.00 -0.22 0.00 0.00 54.13 54.77 2a3x s LEU 26 Cb 0.23 -3.17 0.02 0.00 0.50 0.00 0.00 46.19 43.77 2a3x s LEU 26 CO 0.08 -1.64 0.94 -0.62 -1.32 0.00 0.00 176.35 173.78 2a3x n GLU 27 N 8.52 1.57 -4.55 1.98 1.02 -1.26 -3.05 120.64 124.87 2a3x n GLU 27 Ca 0.13 -0.97 -0.34 0.00 -0.02 0.00 0.00 57.16 55.96 2a3x n GLU 27 Cb 0.49 -1.33 -0.11 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.97 2.99 0.58 3.49 1.02 -1.26 -4.76 119.74 119.82 2a3x s LYS 28 Ca 0.16 -0.53 -0.19 0.00 0.02 0.00 0.00 55.97 55.42 2a3x s LYS 28 Cb 0.14 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 2a3x s LYS 28 CO 0.41 0.57 1.02 -2.30 -0.92 0.00 0.00 175.35 174.14 2a3x n PRO 29 N 2.52 1.05 -3.59 -1.68 -0.02 -1.26 -4.54 135.00 127.48 2a3x n PRO 29 Ca -0.18 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.33 2a3x n PRO 29 Cb 0.53 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.07 4.29 -0.09 2.45 1.02 0.11 -4.90 118.68 119.49 2a3x s LEU 30 Ca 0.74 0.55 -0.08 0.00 0.02 0.00 0.00 54.13 55.36 2a3x s LEU 30 Cb -0.43 -2.35 -0.04 0.00 0.02 0.00 0.00 46.19 43.39 2a3x s LEU 30 CO 0.48 0.18 -0.17 0.00 0.02 0.00 0.00 176.35 176.85 2a3x n GLN 31 N 3.12 0.27 -4.24 1.70 6.02 -1.26 -1.36 117.38 121.63 2a3x n GLN 31 Ca -0.13 0.12 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 2a3x n GLN 31 Cb 0.52 -0.97 -0.10 0.00 1.02 0.00 0.00 30.24 30.72 2a3x n GLN 31 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2a3x s ASN 32 N -6.10 4.46 -0.08 1.08 0.01 -1.26 -1.31 114.94 111.74 2a3x s ASN 32 Ca -0.17 -0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 51.33 2a3x s ASN 32 Cb 0.05 -0.88 0.10 0.00 0.41 0.00 0.00 41.25 40.92 2a3x s ASN 32 CO 0.22 0.18 0.83 0.72 -1.51 0.00 0.00 177.10 177.55 2a3x s PHE 33 N -1.21 -0.50 -0.03 2.20 -0.12 -1.01 -3.86 117.98 113.46 2a3x s PHE 33 Ca 0.21 0.77 0.05 0.00 -0.05 0.00 0.00 56.93 57.91 2a3x s PHE 33 Cb -0.11 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 2a3x s PHE 33 CO 0.14 -0.51 -0.18 0.99 -0.05 0.00 0.00 175.22 175.61 2a3x s THR 34 N -1.53 1.43 -0.08 -4.49 2.01 -0.82 -1.74 115.64 110.43 2a3x s THR 34 Ca -0.05 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.23 2a3x s THR 34 Cb -0.00 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.32 2a3x s THR 34 CO 0.03 0.41 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.01 2a3x s LEU 35 N -0.23 1.66 0.05 4.42 2.96 0.16 -0.63 118.68 127.07 2a3x s LEU 35 Ca 0.02 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 2a3x s LEU 35 Cb -0.09 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 2a3x s LEU 35 CO 0.00 0.03 -0.23 0.00 -1.32 0.00 0.00 176.35 174.84 2a3x s PHE 37 N -0.82 -0.08 -0.16 0.00 -0.71 -0.17 -0.92 117.98 115.12 2a3x s PHE 37 Ca 0.09 -0.30 0.01 0.00 -1.04 0.00 0.00 56.93 55.70 2a3x s PHE 37 Cb -0.09 0.68 0.02 0.00 -1.21 0.00 0.00 43.02 42.41 2a3x s PHE 37 CO 0.02 -0.98 -0.20 0.50 -1.34 0.00 0.00 175.22 173.22 2a3x s ARG 38 N -3.12 2.88 0.03 1.99 3.52 0.38 -0.76 118.95 123.87 2a3x s ARG 38 Ca 0.14 -0.79 0.08 0.00 -0.13 0.00 0.00 55.73 55.03 2a3x s ARG 38 Cb -0.03 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.90 2a3x s ARG 38 CO 0.04 -0.15 -0.23 0.00 -0.81 0.00 0.00 175.30 174.16 2a3x s ALA 39 N 1.15 2.38 -0.06 6.12 0.00 -0.19 -1.52 121.76 129.63 2a3x s ALA 39 Ca 0.01 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 2a3x s ALA 39 Cb -0.14 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.41 2a3x s ALA 39 CO -0.09 0.55 0.01 -0.47 0.00 0.00 0.00 175.76 175.76 2a3x s TYR 40 N -0.82 0.57 -0.19 0.00 5.04 0.31 -0.70 117.35 121.56 2a3x s TYR 40 Ca 0.12 -0.10 -0.27 0.00 -2.44 0.00 0.00 57.07 54.38 2a3x s TYR 40 Cb -0.10 -0.73 0.08 0.00 0.35 0.00 0.00 41.96 41.55 2a3x s TYR 40 CO 0.03 -0.29 0.76 0.45 -1.34 0.00 0.00 175.55 175.15 2a3x s SER 41 N 1.92 -0.66 -0.23 4.32 0.15 -1.26 0.22 113.70 118.17 2a3x s SER 41 Ca 0.04 1.06 0.14 0.00 0.70 0.00 0.00 55.95 57.89 2a3x s SER 41 Cb -0.12 1.00 0.57 0.00 -1.71 0.00 0.00 66.02 65.76 2a3x s SER 41 CO -0.05 -0.37 1.50 -0.90 1.20 0.00 0.00 173.24 174.63 2a3x n ASP 42 N 1.90 3.78 -4.70 5.45 5.75 -1.26 -4.51 116.55 122.95 2a3x n ASP 42 Ca -0.15 -3.22 -0.42 0.00 -0.01 0.00 0.00 54.79 50.99 2a3x n ASP 42 Cb 0.56 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 2a3x n ASP 42 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2a3x s LEU 43 N -2.95 4.33 0.10 -2.12 1.02 -1.26 -4.93 118.68 112.86 2a3x s LEU 43 Ca 0.45 2.11 -0.06 0.00 0.02 0.00 0.00 54.13 56.65 2a3x s LEU 43 Cb 0.37 -3.57 -0.20 0.00 0.02 0.00 0.00 46.19 42.82 2a3x s LEU 43 CO 0.08 -0.67 1.21 -1.28 0.02 0.00 0.00 176.35 175.70 2a3x h SER 44 N 7.52 0.57 -3.29 2.29 0.87 -2.01 -3.48 113.55 116.03 2a3x h SER 44 Ca -0.39 -0.52 -0.29 0.00 -1.23 0.00 0.00 61.79 59.36 2a3x h SER 44 Cb 1.19 -0.18 0.12 0.00 -0.44 0.00 0.00 62.40 63.08 2a3x h SER 44 CO 0.88 1.35 0.28 -2.11 -0.53 0.00 0.00 176.83 176.70 2a3x n ARG 45 N -3.68 -0.85 -2.73 2.24 1.85 -1.26 -4.59 116.66 107.63 2a3x n ARG 45 Ca -0.09 -1.40 -0.40 0.00 -1.00 0.00 0.00 57.85 54.96 2a3x n ARG 45 Cb 0.93 -0.91 -0.05 0.00 -1.05 0.00 0.00 32.46 31.38 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 -3.95 3.30 0.05 2.89 0.00 -1.25 -4.74 121.76 118.07 2a3x s ALA 46 Ca 0.51 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 2a3x s ALA 46 Cb -0.01 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 2a3x s ALA 46 CO 0.35 0.10 0.11 1.52 0.00 0.00 0.00 175.76 177.84 2a3x s TYR 47 N -0.69 0.22 0.06 0.00 1.13 -0.67 -4.38 117.35 113.01 2a3x s TYR 47 Ca 0.44 -0.57 -0.22 0.00 -1.41 0.00 0.00 57.07 55.30 2a3x s TYR 47 Cb -0.25 -0.15 -0.06 0.00 -1.10 0.00 0.00 41.96 40.40 2a3x s TYR 47 CO 0.31 -0.41 0.66 0.45 -2.51 0.00 0.00 175.55 174.05 2a3x s SER 48 N -2.38 7.13 -0.18 -0.18 0.15 -0.94 -1.00 113.70 116.30 2a3x s SER 48 Ca -0.01 1.34 0.16 0.00 0.70 0.00 0.00 55.95 58.14 2a3x s SER 48 Cb 0.01 -2.41 -0.24 0.00 -1.71 0.00 0.00 66.02 61.67 2a3x s SER 48 CO -0.07 0.15 0.15 0.18 1.20 0.00 0.00 173.24 174.86 2a3x n LEU 49 N 2.24 0.40 -3.51 3.45 7.99 0.14 -4.42 117.00 123.30 2a3x n LEU 49 Ca -0.07 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2a3x n LEU 49 Cb 0.50 0.32 -0.03 0.00 -0.11 0.00 0.00 43.42 44.10 2a3x n LEU 49 CO 0.44 0.52 0.32 0.12 -1.51 0.00 0.00 177.39 177.28 2a3x s PHE 50 N -2.51 -1.25 -0.20 -1.77 2.19 -1.10 -4.66 117.98 108.68 2a3x s PHE 50 Ca -0.11 1.98 0.01 0.00 0.33 0.00 0.00 56.93 59.14 2a3x s PHE 50 Cb 0.07 0.68 0.04 0.00 -1.31 0.00 0.00 43.02 42.49 2a3x s PHE 50 CO 0.81 -0.63 -0.13 0.45 1.83 0.00 0.00 175.22 177.54 2a3x s SER 51 N 2.82 3.47 -0.20 6.13 0.15 -0.86 -1.39 113.70 123.83 2a3x s SER 51 Ca -0.01 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 55.76 2a3x s SER 51 Cb -0.11 -1.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.87 2a3x s SER 51 CO -0.19 -0.11 -0.12 -0.47 1.20 0.00 0.00 173.24 173.56 2a3x s TYR 52 N 1.31 2.51 -0.01 3.44 6.14 -0.62 -0.53 117.35 129.60 2a3x s TYR 52 Ca -0.01 -1.63 0.03 0.00 0.64 0.00 0.00 57.07 56.10 2a3x s TYR 52 Cb -0.16 -1.69 -0.01 0.00 0.42 0.00 0.00 41.96 40.52 2a3x s TYR 52 CO -0.09 -0.76 -0.09 -0.80 0.64 0.00 0.00 175.55 174.46 2a3x s ASN 53 N 1.37 1.03 0.37 4.32 -0.87 -0.82 -2.10 114.94 118.24 2a3x s ASN 53 Ca -0.01 -0.16 0.08 0.00 -1.57 0.00 0.00 52.86 51.20 2a3x s ASN 53 Cb -0.16 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.25 40.90 2a3x s ASN 53 CO -0.09 0.10 0.17 0.42 -2.57 0.00 0.00 177.10 175.14 2a3x s THR 54 N -0.17 2.70 0.15 1.60 -4.23 -1.13 -0.82 115.64 113.74 2a3x s THR 54 Ca 0.03 -1.68 -0.31 0.00 -1.18 0.00 0.00 61.69 58.55 2a3x s THR 54 Cb -0.04 -2.98 -0.11 0.00 1.34 0.00 0.00 72.50 70.72 2a3x s THR 54 CO -0.00 -0.10 1.76 -1.58 -0.54 0.00 0.00 174.62 174.15 2a3x s GLN 55 N -3.89 4.15 0.00 3.99 0.74 -1.26 -2.03 119.66 121.35 2a3x s GLN 55 Ca 0.40 2.55 0.00 0.00 0.05 0.00 0.00 55.36 58.36 2a3x s GLN 55 Cb -0.00 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.70 2a3x s GLN 55 CO 0.23 -0.78 0.00 0.41 -0.55 0.00 0.00 175.29 174.60 2a3x n GLY 56 N 4.09 2.81 3.16 2.59 0.00 -1.26 -4.95 105.19 111.63 2a3x n GLY 56 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 2.24 0.32 1.61 1.81 -0.86 -5.10 118.95 118.97 2a3x s ARG 57 Ca 0.00 -1.55 -0.21 0.00 -1.72 0.00 0.00 55.73 52.25 2a3x s ARG 57 Cb 0.00 -3.45 -0.10 0.00 -0.45 0.00 0.00 34.95 30.95 2a3x s ARG 57 CO 0.00 -0.87 0.85 0.34 -0.68 0.00 0.00 175.30 174.93 2a3x s ASP 58 N 1.61 7.06 -1.26 0.23 2.15 -1.26 -2.85 116.67 122.34 2a3x s ASP 58 Ca 0.03 1.58 -0.02 0.00 0.43 0.00 0.00 52.55 54.56 2a3x s ASP 58 Cb -0.21 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 39.91 2a3x s ASP 58 CO -0.02 -0.14 0.76 0.59 -0.17 0.00 0.00 175.17 176.19 2a3x n ASN 59 N 0.12 -2.06 -0.07 -0.34 3.02 -1.26 -4.11 115.26 110.55 2a3x n ASN 59 Ca 0.02 -0.81 -0.14 0.00 -0.03 0.00 0.00 54.58 53.63 2a3x n ASN 59 Cb 0.52 -4.21 -0.05 0.00 -0.61 0.00 0.00 39.78 35.42 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 -1.81 0.63 -2.35 3.52 4.57 -1.62 -1.45 114.58 116.06 2a3x h GLU 60 Ca -0.61 -0.36 -0.20 0.00 -1.18 0.00 0.00 59.36 57.01 2a3x h GLU 60 Cb 1.35 0.03 -0.32 0.00 -0.16 0.00 0.00 28.75 29.65 2a3x h GLU 60 CO 0.54 0.97 -0.51 -1.17 -1.18 0.00 0.00 179.01 177.66 2a3x s LEU 61 N -8.91 -0.43 -0.04 1.64 2.96 -0.89 0.48 118.68 113.49 2a3x s LEU 61 Ca -0.13 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2a3x s LEU 61 Cb 0.08 0.87 0.03 0.00 0.50 0.00 0.00 46.19 47.66 2a3x s LEU 61 CO 0.82 -0.28 0.01 -0.22 -1.32 0.00 0.00 176.35 175.36 2a3x s LEU 62 N 2.47 0.86 -0.29 -0.68 2.96 0.33 -1.58 118.68 122.76 2a3x s LEU 62 Ca 0.07 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.81 2a3x s LEU 62 Cb -0.14 -0.23 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 2a3x s LEU 62 CO -0.13 -0.15 0.42 -0.69 -1.32 0.00 0.00 176.35 174.49 2a3x s VAL 63 N 1.41 5.13 -0.02 1.68 1.01 -0.48 0.54 120.40 129.65 2a3x s VAL 63 Ca -0.04 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2a3x s VAL 63 Cb -0.13 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2a3x s VAL 63 CO -0.03 0.06 -0.05 -0.47 0.00 0.00 0.00 175.10 174.62 2a3x s TYR 64 N 2.17 0.60 -0.38 5.22 5.04 0.27 -0.68 117.35 129.58 2a3x s TYR 64 Ca 0.17 -0.13 -0.06 0.00 -2.44 0.00 0.00 57.07 54.60 2a3x s TYR 64 Cb -0.16 -0.49 0.07 0.00 0.35 0.00 0.00 41.96 41.74 2a3x s TYR 64 CO 0.10 -0.10 0.18 0.21 -1.34 0.00 0.00 175.55 174.61 2a3x s LYS 65 N 0.42 2.47 0.12 4.97 2.47 -0.17 -0.35 119.74 129.67 2a3x s LYS 65 Ca -0.05 -1.44 -0.04 0.00 -1.56 0.00 0.00 55.97 52.88 2a3x s LYS 65 Cb -0.09 -3.59 -0.14 0.00 -1.46 0.00 0.00 37.83 32.55 2a3x s LYS 65 CO -0.00 -0.87 1.26 0.93 0.16 0.00 0.00 175.35 176.83 2a3x h GLU 66 N 8.24 0.37 -2.75 4.03 5.08 -1.81 -1.78 114.58 125.96 2a3x h GLU 66 Ca -0.21 -0.45 0.09 0.00 -1.00 0.00 0.00 59.36 57.79 2a3x h GLU 66 Cb 1.07 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2a3x h GLU 66 CO 0.68 1.14 0.37 -0.98 -1.00 0.00 0.00 179.01 179.22 2a3x s ARG 67 N -3.10 1.70 0.14 2.33 1.70 -1.26 -3.76 118.95 116.70 2a3x s ARG 67 Ca -0.05 -1.02 -0.34 0.00 -0.47 0.00 0.00 55.73 53.84 2a3x s ARG 67 Cb 0.08 0.52 -0.14 0.00 -0.57 0.00 0.00 34.95 34.84 2a3x s ARG 67 CO 0.87 -0.79 1.58 0.28 -1.08 0.00 0.00 175.30 176.17 2a3x n VAL 68 N -0.53 0.03 -1.02 4.99 0.31 -1.26 -1.77 118.33 119.07 2a3x n VAL 68 Ca -0.06 -0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.26 2a3x n VAL 68 Cb 0.60 -1.52 -0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 3.42 0.45 2.96 2.92 0.00 -1.26 -5.00 105.19 108.68 2a3x n GLY 69 Ca 0.17 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 1.88 -0.11 1.61 2.02 -0.73 -1.26 118.70 121.31 2a3x s GLU 70 Ca 0.00 -0.40 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2a3x s GLU 70 Cb 0.00 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 2a3x s GLU 70 CO 0.00 -0.26 -0.19 0.71 0.02 0.00 0.00 175.26 175.54 2a3x s TYR 71 N 1.60 2.68 -0.07 1.61 2.02 -0.31 -3.53 117.35 121.35 2a3x s TYR 71 Ca 0.05 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 55.94 2a3x s TYR 71 Cb -0.13 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 2a3x s TYR 71 CO -0.09 -0.32 -0.23 -1.12 -1.57 0.00 0.00 175.55 172.21 2a3x s SER 72 N 0.34 3.21 -0.13 2.29 0.01 0.53 -0.99 113.70 118.97 2a3x s SER 72 Ca -0.15 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.63 2a3x s SER 72 Cb -0.17 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 2a3x s SER 72 CO 0.07 0.24 -0.14 -0.22 0.41 0.00 0.00 173.24 173.61 2a3x s LEU 73 N -0.12 2.67 -0.24 2.44 2.96 -0.66 -0.56 118.68 125.16 2a3x s LEU 73 Ca -0.04 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 2a3x s LEU 73 Cb -0.14 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 2a3x s LEU 73 CO 0.04 0.15 0.05 -0.31 -1.32 0.00 0.00 176.35 174.96 2a3x s TYR 74 N 0.41 3.06 -0.15 5.38 1.51 0.19 -1.14 117.35 126.61 2a3x s TYR 74 Ca -0.10 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 2a3x s TYR 74 Cb -0.16 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 2a3x s TYR 74 CO 0.05 -0.39 -0.08 0.42 -1.11 0.00 0.00 175.55 174.45 2a3x s ILE 75 N 1.58 3.51 -1.30 2.71 -1.09 0.12 -0.51 121.20 126.22 2a3x s ILE 75 Ca 0.06 -0.49 -0.27 0.00 -2.23 0.00 0.00 60.65 57.72 2a3x s ILE 75 Cb -0.15 -2.52 0.04 0.00 -1.58 0.00 0.00 42.46 38.25 2a3x s ILE 75 CO 0.02 0.50 0.51 0.61 -1.23 0.00 0.00 174.94 175.36 2a3x n GLY 76 N 3.63 -0.66 4.10 6.18 0.00 0.18 -0.56 105.19 118.06 2a3x n GLY 76 Ca -0.18 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.97 0.00 -2.50 1.61 1.74 -0.56 -4.98 116.66 107.00 2a3x n ARG 77 Ca -0.16 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.56 2a3x n ARG 77 Cb 0.60 -0.14 -0.03 0.00 -1.02 0.00 0.00 32.46 31.86 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 0.00 3.11 0.17 -1.55 3.76 0.28 -5.01 115.29 116.05 2a3x s HIS 78 Ca 0.00 1.60 0.09 0.00 -0.15 0.00 0.00 55.06 56.60 2a3x s HIS 78 Cb 0.00 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 2a3x s HIS 78 CO 0.00 -0.82 -0.19 -1.59 -0.85 0.00 0.00 174.74 171.29 2a3x s LYS 79 N -2.80 1.29 0.08 1.40 -2.85 -1.26 0.16 119.74 115.76 2a3x s LYS 79 Ca 0.62 -1.41 0.05 0.00 -1.00 0.00 0.00 55.97 54.23 2a3x s LYS 79 Cb -0.21 -1.38 -0.03 0.00 -2.06 0.00 0.00 37.83 34.15 2a3x s LYS 79 CO 0.26 0.28 -0.13 0.14 0.10 0.00 0.00 175.35 176.00 2a3x s VAL 80 N -1.98 1.05 -0.06 1.79 -7.23 -0.30 -4.98 120.40 108.70 2a3x s VAL 80 Ca 0.16 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2a3x s VAL 80 Cb -0.06 -1.17 0.03 0.00 0.56 0.00 0.00 36.38 35.74 2a3x s VAL 80 CO 0.07 -0.35 0.01 -0.89 -0.31 0.00 0.00 175.10 173.63 2a3x s THR 81 N -1.70 0.28 -0.03 5.32 2.01 -1.26 -1.66 115.64 118.60 2a3x s THR 81 Ca 0.01 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.24 2a3x s THR 81 Cb -0.08 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 2a3x s THR 81 CO 0.02 0.23 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.50 2a3x s SER 82 N 1.87 3.22 0.40 3.53 0.01 -0.16 -4.96 113.70 117.62 2a3x s SER 82 Ca 0.03 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.89 2a3x s SER 82 Cb -0.12 -0.51 -0.00 0.00 0.21 0.00 0.00 66.02 65.59 2a3x s SER 82 CO -0.04 0.31 0.57 -0.54 0.41 0.00 0.00 173.24 173.95 2a3x s LYS 83 N -0.55 3.07 -0.22 12.44 1.02 -1.26 -1.17 119.74 133.07 2a3x s LYS 83 Ca 0.08 -0.76 -0.27 0.00 0.02 0.00 0.00 55.97 55.04 2a3x s LYS 83 Cb -0.11 -2.69 0.11 0.00 -0.52 0.00 0.00 37.83 34.62 2a3x s LYS 83 CO 0.00 -0.12 0.93 0.54 -0.92 0.00 0.00 175.35 175.78 2a3x s VAL 84 N -2.37 0.00 -0.10 3.17 0.11 -0.39 -4.72 120.40 116.10 2a3x s VAL 84 Ca 0.47 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.22 2a3x s VAL 84 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2a3x s VAL 84 CO 0.34 0.00 1.36 -0.63 -3.33 0.00 0.00 175.10 172.84 2a3x s ILE 85 N -0.30 4.03 -0.06 7.04 1.01 -1.26 -4.56 121.20 127.09 2a3x s ILE 85 Ca -0.01 1.30 -0.13 0.00 0.00 0.00 0.00 60.65 61.81 2a3x s ILE 85 Cb -0.03 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.63 2a3x s ILE 85 CO -0.01 -0.08 0.31 -1.83 0.00 0.00 0.00 174.94 173.34 2a3x s GLU 86 N 3.24 0.53 0.33 2.79 -1.05 -1.26 -5.08 118.70 118.20 2a3x s GLU 86 Ca 0.60 0.10 -0.27 0.00 -0.15 0.00 0.00 54.97 55.25 2a3x s GLU 86 Cb -0.26 0.24 -0.09 0.00 -0.44 0.00 0.00 34.13 33.58 2a3x s GLU 86 CO 0.21 -0.12 1.11 0.15 0.95 0.00 0.00 175.26 177.56 2a3x s LYS 87 N -0.64 4.41 -0.08 -4.83 1.02 -1.26 -4.88 119.74 113.49 2a3x s LYS 87 Ca -0.07 1.77 0.02 0.00 0.02 0.00 0.00 55.97 57.71 2a3x s LYS 87 Cb -0.04 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 2a3x s LYS 87 CO 0.02 0.02 -0.15 0.12 -0.92 0.00 0.00 175.35 174.44 2a3x s PHE 88 N -1.31 1.80 0.42 3.18 5.36 -1.26 -3.49 117.98 122.68 2a3x s PHE 88 Ca 0.50 -0.74 -0.06 0.00 -0.96 0.00 0.00 56.93 55.67 2a3x s PHE 88 Cb -0.30 -1.29 -0.05 0.00 -0.34 0.00 0.00 43.02 41.05 2a3x s PHE 88 CO 0.38 -0.36 0.72 -1.25 -1.46 0.00 0.00 175.22 173.25 2a3x s PRO 89 N 0.70 3.61 -0.02 10.12 0.04 -1.26 -5.20 135.00 142.99 2a3x s PRO 89 Ca -0.13 0.17 -0.22 0.00 0.04 0.00 0.00 61.00 60.86 2a3x s PRO 89 Cb -0.16 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 31.97 2a3x s PRO 89 CO 0.03 -0.06 0.48 0.00 0.04 0.00 0.00 177.00 177.49 2a3x s ALA 90 N -2.50 -1.22 0.49 8.56 0.00 -1.23 -5.09 121.76 120.78 2a3x s ALA 90 Ca 0.47 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.94 2a3x s ALA 90 Cb -0.10 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 2a3x s ALA 90 CO 0.38 -0.34 1.15 -2.14 0.00 0.00 0.00 175.76 174.81 2a3x s PRO 91 N -1.45 3.59 -0.02 0.00 0.02 -1.26 -4.49 135.00 131.40 2a3x s PRO 91 Ca -0.11 1.70 -0.02 0.00 0.02 0.00 0.00 61.00 62.59 2a3x s PRO 91 Cb -0.02 -2.24 0.01 0.00 0.02 0.00 0.00 34.50 32.26 2a3x s PRO 91 CO 0.06 -0.67 0.06 0.54 -0.33 0.00 0.00 177.00 176.66 2a3x s VAL 92 N -1.64 0.01 -0.20 3.83 0.11 0.12 -5.01 120.40 117.62 2a3x s VAL 92 Ca 0.67 -0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.56 2a3x s VAL 92 Cb -0.26 -0.11 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 2a3x s VAL 92 CO 0.31 -0.03 0.17 -2.28 -3.33 0.00 0.00 175.10 169.94 2a3x s HIS 93 N -0.06 3.41 -0.11 1.54 2.46 -1.26 -1.02 115.29 120.25 2a3x s HIS 93 Ca -0.01 0.38 0.02 0.00 0.47 0.00 0.00 55.06 55.92 2a3x s HIS 93 Cb -0.01 -2.21 0.01 0.00 -0.13 0.00 0.00 32.58 30.24 2a3x s HIS 93 CO 0.00 0.26 -0.18 0.42 -2.47 0.00 0.00 174.74 172.77 2a3x s ILE 94 N 0.44 1.68 -0.12 0.89 1.01 0.06 -1.51 121.20 123.66 2a3x s ILE 94 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2a3x s ILE 94 Cb -0.12 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.87 2a3x s ILE 94 CO -0.00 0.48 -0.12 0.00 0.00 0.00 0.00 174.94 175.30 2a3x s VAL 96 N 1.42 2.37 0.06 0.00 0.11 0.26 0.28 120.40 124.91 2a3x s VAL 96 Ca 0.02 -0.93 0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2a3x s VAL 96 Cb -0.13 -1.91 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 2a3x s VAL 96 CO -0.07 0.56 -0.17 -0.94 -3.33 0.00 0.00 175.10 171.15 2a3x s SER 97 N 0.01 1.99 0.07 3.54 1.04 -0.72 0.37 113.70 120.00 2a3x s SER 97 Ca -0.08 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.83 2a3x s SER 97 Cb -0.15 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 2a3x s SER 97 CO 0.05 0.04 -0.09 0.86 0.98 0.00 0.00 173.24 175.08 2a3x s TRP 98 N -1.00 0.88 -0.22 5.02 -0.00 -0.71 -0.91 118.94 122.01 2a3x s TRP 98 Ca 0.03 -0.65 -0.03 0.00 -0.00 0.00 0.00 56.10 55.45 2a3x s TRP 98 Cb -0.09 -0.51 0.10 0.00 -0.00 0.00 0.00 33.47 32.97 2a3x s TRP 98 CO 0.02 -0.06 0.22 -2.00 -0.00 0.00 0.00 176.95 175.13 2a3x s GLU 99 N -2.52 0.21 0.37 5.86 2.12 -1.09 -2.41 118.70 121.24 2a3x s GLU 99 Ca 0.01 0.10 0.13 0.00 0.36 0.00 0.00 54.97 55.57 2a3x s GLU 99 Cb -0.04 -1.15 0.94 0.00 0.26 0.00 0.00 34.13 34.14 2a3x s GLU 99 CO -0.01 -0.73 1.82 1.03 -0.54 0.00 0.00 175.26 176.83 2a3x h SER 100 N 8.31 0.57 0.04 -1.70 0.87 -1.48 0.79 113.55 120.96 2a3x h SER 100 Ca -0.17 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2a3x h SER 100 Cb 1.13 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2a3x h SER 100 CO 0.30 0.22 -0.02 -1.28 -0.53 0.00 0.00 176.83 175.52 2a3x h SER 101 N 0.56 -0.04 0.33 6.23 0.87 -1.92 0.75 113.55 120.34 2a3x h SER 101 Ca 0.52 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2a3x h SER 101 Cb 1.06 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2a3x h SER 101 CO -0.26 0.12 -1.52 -1.54 -0.53 0.00 0.00 176.83 173.10 2a3x n SER 102 N -5.04 0.38 0.00 6.23 3.41 -0.97 -4.62 113.62 113.01 2a3x n SER 102 Ca -0.08 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2a3x n SER 102 Cb 0.11 1.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 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 1.27 0.86 3.67 5.00 0.00 0.27 -4.88 105.19 111.38 2a3x n GLY 103 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.44 4.76 -0.01 -0.61 -1.09 -1.18 -0.24 121.20 119.38 2a3x s ILE 104 Ca 0.00 1.95 -0.09 0.00 -2.23 0.00 0.00 60.65 60.28 2a3x s ILE 104 Cb 0.00 -4.28 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 2a3x s ILE 104 CO 0.00 -0.07 0.28 0.00 -1.23 0.00 0.00 174.94 173.93 2a3x s ALA 105 N 2.53 3.81 -0.31 9.38 0.00 0.17 -2.66 121.76 134.68 2a3x s ALA 105 Ca 0.44 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 2a3x s ALA 105 Cb -0.17 -2.14 0.11 0.00 0.00 0.00 0.00 23.12 20.93 2a3x s ALA 105 CO 0.12 0.60 0.15 -2.00 0.00 0.00 0.00 175.76 174.62 2a3x s GLU 106 N -1.46 0.39 -0.06 0.00 2.12 -0.08 -2.22 118.70 117.38 2a3x s GLU 106 Ca 0.24 -0.84 -0.17 0.00 0.36 0.00 0.00 54.97 54.56 2a3x s GLU 106 Cb -0.14 -1.36 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 2a3x s GLU 106 CO 0.13 -1.06 0.45 -0.06 -0.54 0.00 0.00 175.26 174.18 2a3x s PHE 107 N 1.73 3.61 -0.18 5.30 0.08 -1.26 -1.76 117.98 125.50 2a3x s PHE 107 Ca 0.11 0.94 0.01 0.00 0.12 0.00 0.00 56.93 58.11 2a3x s PHE 107 Cb -0.18 -2.44 0.04 0.00 -0.57 0.00 0.00 43.02 39.86 2a3x s PHE 107 CO -0.25 0.38 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.55 2a3x s TRP 108 N -0.14 2.34 -0.38 0.36 0.52 0.14 -0.55 118.94 121.23 2a3x s TRP 108 Ca 0.25 -1.47 -0.06 0.00 0.02 0.00 0.00 56.10 54.83 2a3x s TRP 108 Cb -0.16 -1.63 0.07 0.00 -1.15 0.00 0.00 33.47 30.60 2a3x s TRP 108 CO 0.12 -0.72 0.18 0.42 0.02 0.00 0.00 176.95 176.97 2a3x s ILE 109 N 1.42 3.80 -1.21 2.03 -1.09 -0.27 -1.10 121.20 124.78 2a3x s ILE 109 Ca 0.01 -1.45 -0.00 0.00 -2.23 0.00 0.00 60.65 56.97 2a3x s ILE 109 Cb -0.15 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 2a3x s ILE 109 CO -0.09 -0.41 1.00 0.59 -1.23 0.00 0.00 174.94 174.80 2a3x n ASN 110 N 4.80 -2.22 -1.73 3.58 3.02 -0.57 -2.66 115.26 119.48 2a3x n ASN 110 Ca -0.09 -0.62 -0.19 0.00 -0.03 0.00 0.00 54.58 53.64 2a3x n ASN 110 Cb 0.43 -5.11 -0.06 0.00 -0.61 0.00 0.00 39.78 34.43 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 -1.18 1.10 3.26 7.41 0.00 -1.26 -4.99 105.19 109.54 2a3x n GLY 111 Ca -0.28 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.80 2.62 0.10 2.61 2.01 -1.09 -4.96 115.64 114.13 2a3x s THR 112 Ca 0.00 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 60.90 2a3x s THR 112 Cb 0.00 -2.10 -0.08 0.00 0.01 0.00 0.00 72.50 70.33 2a3x s THR 112 CO 0.00 0.52 1.43 -2.16 -0.69 0.00 0.00 174.62 173.72 2a3x s PRO 113 N 0.78 4.29 0.74 4.92 0.04 -1.26 -1.12 135.00 143.40 2a3x s PRO 113 Ca -0.06 2.12 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 2a3x s PRO 113 Cb -0.15 -3.30 0.09 0.00 0.04 0.00 0.00 34.50 31.18 2a3x s PRO 113 CO 0.00 -0.50 1.06 -0.51 0.04 0.00 0.00 177.00 177.09 2a3x s LEU 114 N 1.37 2.83 0.14 -3.56 1.43 0.29 -4.94 118.68 116.24 2a3x s LEU 114 Ca 0.66 0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 53.75 2a3x s LEU 114 Cb -0.37 -2.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.94 2a3x s LEU 114 CO 0.30 -1.81 1.46 -0.69 0.23 0.00 0.00 176.35 175.85 2a3x s VAL 115 N -3.32 3.02 0.35 -1.59 1.01 -1.26 -4.72 120.40 113.89 2a3x s VAL 115 Ca 0.63 0.73 -0.28 0.00 0.00 0.00 0.00 61.98 63.06 2a3x s VAL 115 Cb -0.09 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 2a3x s VAL 115 CO 0.46 0.06 1.33 -0.54 0.00 0.00 0.00 175.10 176.40 2a3x s LYS 116 N 1.12 4.26 0.39 2.72 1.02 -1.26 -4.76 119.74 123.22 2a3x s LYS 116 Ca 0.67 2.25 0.04 0.00 0.02 0.00 0.00 55.97 58.94 2a3x s LYS 116 Cb -0.40 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2a3x s LYS 116 CO 0.31 -0.29 0.10 0.15 -0.92 0.00 0.00 175.35 174.70 2a3x s LYS 117 N -1.91 1.86 -0.10 1.68 -0.14 -0.94 -4.99 119.74 115.20 2a3x s LYS 117 Ca 0.51 -2.12 -0.08 0.00 -1.36 0.00 0.00 55.97 52.92 2a3x s LYS 117 Cb -0.40 -0.73 0.03 0.00 -1.68 0.00 0.00 37.83 35.05 2a3x s LYS 117 CO 0.54 -0.39 0.26 0.20 -0.76 0.00 0.00 175.35 175.19 2a3x s GLY 118 N -3.59 -0.18 -0.02 -3.33 0.00 -1.26 0.46 107.32 99.40 2a3x s GLY 118 Ca 0.26 0.81 -0.28 0.00 0.00 0.00 0.00 44.72 45.51 2a3x s GLY 118 CO 0.14 0.80 0.62 0.48 0.00 0.00 0.00 173.10 175.14 2a3x s LEU 119 N 0.44 -0.44 -1.33 0.66 2.34 0.67 -4.98 118.68 116.04 2a3x s LEU 119 Ca -0.02 0.55 -0.04 0.00 0.06 0.00 0.00 54.13 54.68 2a3x s LEU 119 Cb -0.04 2.37 -0.00 0.00 -0.56 0.00 0.00 46.19 47.96 2a3x s LEU 119 CO -0.02 -0.63 0.56 0.54 -1.06 0.00 0.00 176.35 175.74 2a3x n ARG 120 N 0.81 -3.32 -2.20 1.48 5.12 -1.26 -4.59 116.66 112.70 2a3x n ARG 120 Ca -0.19 0.47 -0.42 0.00 -1.93 0.00 0.00 57.85 55.78 2a3x n ARG 120 Cb 0.58 -4.62 -0.03 0.00 -1.16 0.00 0.00 32.46 27.23 2a3x n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2a3x s GLN 121 N -6.29 4.36 0.00 5.56 0.74 -1.26 -2.01 119.66 120.76 2a3x s GLN 121 Ca 0.09 2.07 0.00 0.00 0.05 0.00 0.00 55.36 57.56 2a3x s GLN 121 Cb -0.03 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.87 2a3x s GLN 121 CO 0.86 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.69 2a3x n GLY 122 N 2.75 1.58 3.74 2.59 0.00 0.26 -4.99 105.19 111.13 2a3x n GLY 122 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.00 3.68 -0.35 1.61 5.04 -0.85 -5.02 117.35 118.46 2a3x s TYR 123 Ca 0.00 1.70 -0.08 0.00 -2.44 0.00 0.00 57.07 56.24 2a3x s TYR 123 Cb 0.00 -3.20 0.04 0.00 0.35 0.00 0.00 41.96 39.15 2a3x s TYR 123 CO 0.00 -0.31 0.15 -0.06 -1.34 0.00 0.00 175.55 173.98 2a3x s PHE 124 N -0.52 3.25 -0.04 4.97 0.40 -1.26 -4.69 117.98 120.10 2a3x s PHE 124 Ca 0.47 -1.26 -0.30 0.00 -0.60 0.00 0.00 56.93 55.23 2a3x s PHE 124 Cb -0.28 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.84 2a3x s PHE 124 CO 0.35 -0.71 1.35 0.14 0.70 0.00 0.00 175.22 177.05 2a3x s VAL 125 N 1.46 3.92 0.73 -0.44 -7.23 -0.47 -4.82 120.40 113.54 2a3x s VAL 125 Ca -0.00 1.25 -0.14 0.00 -1.81 0.00 0.00 61.98 61.28 2a3x s VAL 125 Cb -0.19 -3.80 0.04 0.00 0.56 0.00 0.00 36.38 32.98 2a3x s VAL 125 CO 0.04 -0.02 1.13 -1.61 -0.31 0.00 0.00 175.10 174.33 2a3x s GLU 126 N 2.62 2.33 0.00 4.82 2.02 -1.26 0.10 118.70 129.32 2a3x s GLU 126 Ca 0.61 1.46 0.00 0.00 0.02 0.00 0.00 54.97 57.06 2a3x s GLU 126 Cb -0.28 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2a3x s GLU 126 CO 0.24 -1.63 0.00 0.00 0.02 0.00 0.00 175.26 173.89 2a3x n ALA 127 N -2.91 0.00 -3.66 5.21 0.00 -1.26 -4.66 120.51 113.23 2a3x n ALA 127 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 2a3x n ALA 127 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.91 -1.19 -2.36 0.00 6.02 -1.17 -4.86 117.38 112.91 2a3x n GLN 128 Ca 0.00 0.62 -0.25 0.00 -0.01 0.00 0.00 57.00 57.36 2a3x n GLN 128 Cb 0.00 -3.82 0.09 0.00 1.02 0.00 0.00 30.24 27.53 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 -5.52 1.87 -0.25 -1.09 0.04 -1.26 -4.64 135.00 124.14 2a3x s PRO 129 Ca 0.32 -0.64 0.02 0.00 0.04 0.00 0.00 61.00 60.74 2a3x s PRO 129 Cb -0.12 -2.23 0.06 0.00 0.04 0.00 0.00 34.50 32.25 2a3x s PRO 129 CO 0.86 -1.38 -0.06 0.21 0.04 0.00 0.00 177.00 176.67 2a3x s LYS 130 N -5.22 1.78 -0.19 4.56 2.47 0.00 -4.97 119.74 118.18 2a3x s LYS 130 Ca 0.64 -1.16 -0.08 0.00 -1.56 0.00 0.00 55.97 53.81 2a3x s LYS 130 Cb -0.08 -2.70 -0.04 0.00 -1.46 0.00 0.00 37.83 33.54 2a3x s LYS 130 CO 0.45 -0.62 0.08 0.42 0.16 0.00 0.00 175.35 175.84 2a3x s ILE 131 N 1.28 4.97 -0.01 5.43 1.01 -1.26 -1.94 121.20 130.68 2a3x s ILE 131 Ca -0.05 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.64 2a3x s ILE 131 Cb -0.19 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 2a3x s ILE 131 CO -0.06 0.46 -0.05 0.68 0.00 0.00 0.00 174.94 175.96 2a3x s VAL 132 N 0.34 0.43 0.10 2.92 -7.23 0.31 -0.79 120.40 116.48 2a3x s VAL 132 Ca 0.05 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2a3x s VAL 132 Cb -0.12 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2a3x s VAL 132 CO -0.01 0.13 0.21 -0.76 -0.31 0.00 0.00 175.10 174.36 2a3x s LEU 133 N -0.06 4.21 0.00 1.32 1.02 -0.54 -2.02 118.68 122.60 2a3x s LEU 133 Ca 0.01 0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.31 2a3x s LEU 133 Cb -0.03 -2.81 0.00 0.00 0.02 0.00 0.00 46.19 43.37 2a3x s LEU 133 CO -0.00 0.12 0.00 0.61 0.02 0.00 0.00 176.35 177.10 2a3x n GLY 134 N -0.03 3.02 3.02 -3.19 0.00 -1.26 -2.27 105.19 104.47 2a3x n GLY 134 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.26 0.41 -0.25 1.61 -1.52 -1.26 -0.79 119.66 117.59 2a3x s GLN 135 Ca 0.00 -0.79 -0.11 0.00 -1.95 0.00 0.00 55.36 52.51 2a3x s GLN 135 Cb 0.00 0.11 -0.05 0.00 -0.22 0.00 0.00 33.01 32.85 2a3x s GLN 135 CO 0.00 -0.06 0.18 -2.00 -0.25 0.00 0.00 175.29 173.16 2a3x s GLU 136 N -2.17 4.04 0.22 2.91 -6.30 -1.26 -4.64 118.70 111.49 2a3x s GLU 136 Ca -0.09 -0.27 -0.30 0.00 -2.50 0.00 0.00 54.97 51.81 2a3x s GLU 136 Cb -0.05 -3.58 -0.08 0.00 0.00 0.00 0.00 34.13 30.42 2a3x s GLU 136 CO -0.03 -0.02 1.05 -0.65 0.02 0.00 0.00 175.26 175.63 2a3x s GLN 137 N 1.28 4.69 -0.00 4.30 -0.21 -1.26 -4.07 119.66 124.39 2a3x s GLN 137 Ca 0.08 1.66 0.06 0.00 0.02 0.00 0.00 55.36 57.18 2a3x s GLN 137 Cb -0.14 -3.26 -0.07 0.00 1.00 0.00 0.00 33.01 30.53 2a3x s GLN 137 CO 0.07 0.24 0.21 -0.25 -2.12 0.00 0.00 175.29 173.44 2a3x n ASP 138 N 1.84 1.42 -4.52 5.90 8.00 -0.90 -4.64 116.55 123.65 2a3x n ASP 138 Ca 0.00 -0.42 -0.31 0.00 0.71 0.00 0.00 54.79 54.78 2a3x n ASP 138 Cb 0.46 1.10 -0.06 0.00 -0.02 0.00 0.00 41.12 42.60 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 -1.34 3.32 -4.57 -2.24 3.41 -0.97 -4.86 113.62 106.36 2a3x n SER 139 Ca 0.00 -3.09 -0.27 0.00 -0.26 0.00 0.00 58.87 55.25 2a3x n SER 139 Cb 0.11 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.72 1.87 0.00 7.33 5.04 -1.26 -3.31 117.35 124.30 2a3x s TYR 140 Ca 0.00 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 2a3x s TYR 140 Cb -0.00 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.32 2a3x s TYR 140 CO 0.00 -1.40 0.00 0.41 -1.34 0.00 0.00 175.55 173.23 2a3x n GLY 141 N 6.22 0.78 0.00 8.97 0.00 -1.26 -5.01 105.19 114.90 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 -2.08 5.57 3.55 -0.02 0.00 -1.21 -4.99 105.19 106.00 2a3x n GLY 142 Ca 0.00 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.34 -2.34 1.61 5.02 -1.26 -2.22 118.16 117.63 2a3x n LYS 143 Ca 0.00 0.88 -0.29 0.00 -2.02 0.00 0.00 58.31 56.88 2a3x n LYS 143 Cb 0.00 -3.83 0.00 0.00 -0.02 0.00 0.00 35.03 31.19 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 -3.14 3.59 -0.10 2.13 0.08 -1.26 -2.11 117.98 117.17 2a3x s PHE 144 Ca 0.15 1.02 0.01 0.00 0.12 0.00 0.00 56.93 58.22 2a3x s PHE 144 Cb -0.06 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 2a3x s PHE 144 CO 0.85 -0.43 -0.11 0.34 -0.10 0.00 0.00 175.22 175.76 2a3x s ASP 145 N -4.09 2.13 0.06 1.36 -1.08 -1.26 -5.01 116.67 108.78 2a3x s ASP 145 Ca 0.51 -0.34 -0.25 0.00 -0.52 0.00 0.00 52.55 51.95 2a3x s ASP 145 Cb -0.11 -0.91 -0.17 0.00 -1.46 0.00 0.00 42.92 40.28 2a3x s ASP 145 CO 0.48 -0.04 1.58 -0.09 0.52 0.00 0.00 175.17 177.61 2a3x h ARG 146 N 7.63 -0.16 0.00 4.34 2.43 -1.93 -2.64 114.38 124.05 2a3x h ARG 146 Ca -0.31 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2a3x h ARG 146 Cb 1.16 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2a3x h ARG 146 CO 0.46 0.01 0.00 -1.13 -1.51 0.00 0.00 179.97 177.79 2a3x n SER 147 N -5.10 0.00 0.00 -3.80 3.41 -1.26 -0.74 113.62 106.13 2a3x n SER 147 Ca -0.08 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 2a3x n SER 147 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.54 4.63 -1.88 4.33 6.02 -1.01 -4.68 117.38 124.26 2a3x n GLN 148 Ca 0.00 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.56 2a3x n GLN 148 Cb 0.00 -0.41 0.01 0.00 1.02 0.00 0.00 30.24 30.86 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 -0.67 6.08 0.02 1.08 1.04 0.08 -2.22 113.70 119.12 2a3x s SER 149 Ca 0.00 2.86 -0.26 0.00 0.48 0.00 0.00 55.95 59.03 2a3x s SER 149 Cb 0.00 -2.65 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 2a3x s SER 149 CO 0.00 -1.03 0.80 0.12 0.98 0.00 0.00 173.24 174.10 2a3x s PHE 150 N -1.21 3.70 -0.09 5.02 5.36 0.03 -4.79 117.98 126.00 2a3x s PHE 150 Ca 0.58 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 58.04 2a3x s PHE 150 Cb -0.42 -2.87 0.02 0.00 -0.34 0.00 0.00 43.02 39.40 2a3x s PHE 150 CO 0.55 0.20 -0.07 0.54 -1.46 0.00 0.00 175.22 174.98 2a3x s VAL 151 N 0.25 0.91 -4.77 3.12 0.11 -1.26 -4.80 120.40 113.96 2a3x s VAL 151 Ca 0.41 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2a3x s VAL 151 Cb -0.20 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 2a3x s VAL 151 CO 0.23 0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.95 2a3x n GLY 152 N 4.71 0.28 3.26 6.54 0.00 0.32 -4.50 105.19 115.81 2a3x n GLY 152 Ca -0.14 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 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 1.90 -0.02 1.61 2.02 0.13 -0.48 118.70 121.86 2a3x s GLU 153 Ca 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2a3x s GLU 153 Cb 0.00 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.43 2a3x s GLU 153 CO 0.00 0.48 -0.02 0.42 0.02 0.00 0.00 175.26 176.16 2a3x s ILE 154 N -0.50 0.29 0.39 -1.63 1.01 -0.79 -0.53 121.20 119.43 2a3x s ILE 154 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 2a3x s ILE 154 Cb -0.09 -0.32 0.06 0.00 0.01 0.00 0.00 42.46 42.12 2a3x s ILE 154 CO -0.01 0.14 0.79 0.61 0.00 0.00 0.00 174.94 176.48 2a3x n GLY 155 N 3.72 0.98 3.91 6.18 0.00 -0.58 -0.43 105.19 118.97 2a3x n GLY 155 Ca -0.22 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.52 -3.68 -4.63 1.61 8.00 -1.26 -0.47 116.55 114.59 2a3x n ASP 156 Ca -0.09 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.17 2a3x n ASP 156 Cb 0.59 -3.76 -0.04 0.00 -0.02 0.00 0.00 41.12 37.89 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 -7.15 4.05 -0.01 0.64 1.98 -1.26 -4.01 118.68 112.92 2a3x s LEU 157 Ca 0.50 0.94 0.03 0.00 -2.89 0.00 0.00 54.13 52.72 2a3x s LEU 157 Cb -0.25 -3.29 -0.01 0.00 0.66 0.00 0.00 46.19 43.30 2a3x s LEU 157 CO 0.84 -0.67 -0.11 -0.31 -1.89 0.00 0.00 176.35 174.20 2a3x s TYR 158 N 3.15 1.06 -0.07 5.38 1.51 -0.10 -1.98 117.35 126.29 2a3x s TYR 158 Ca 0.38 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 2a3x s TYR 158 Cb -0.14 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 2a3x s TYR 158 CO 0.11 -0.04 -0.04 1.41 -1.11 0.00 0.00 175.55 175.88 2a3x s MET 159 N -0.19 1.01 0.30 -0.62 1.75 0.11 0.07 119.30 121.72 2a3x s MET 159 Ca 0.03 -0.10 0.08 0.00 -1.25 0.00 0.00 55.69 54.45 2a3x s MET 159 Cb -0.05 -1.11 -0.04 0.00 2.84 0.00 0.00 34.83 36.47 2a3x s MET 159 CO -0.00 -0.18 0.12 -1.58 -0.65 0.00 0.00 175.02 172.73 2a3x s TRP 160 N 1.41 2.81 -0.39 4.11 0.51 0.20 -2.13 118.94 125.47 2a3x s TRP 160 Ca -0.03 -0.26 0.08 0.00 -2.12 0.00 0.00 56.10 53.77 2a3x s TRP 160 Cb -0.13 -1.46 0.61 0.00 -0.81 0.00 0.00 33.47 31.68 2a3x s TRP 160 CO -0.03 0.45 1.57 -0.40 -0.51 0.00 0.00 176.95 178.03 2a3x n ASP 161 N -1.10 4.35 -3.66 2.95 5.75 -1.26 -1.94 116.55 121.64 2a3x n ASP 161 Ca -0.05 -2.92 -0.10 0.00 -0.01 0.00 0.00 54.79 51.70 2a3x n ASP 161 Cb 0.60 -0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 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 -0.68 -0.19 -0.53 -1.12 1.04 -1.25 -4.37 113.70 106.60 2a3x s SER 162 Ca 0.44 -0.34 -0.28 0.00 0.48 0.00 0.00 55.95 56.24 2a3x s SER 162 Cb 0.35 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.95 2a3x s SER 162 CO 0.11 -0.83 1.13 -0.69 0.98 0.00 0.00 173.24 173.94 2a3x s VAL 163 N -3.76 4.15 0.35 5.02 1.01 -1.26 -2.67 120.40 123.24 2a3x s VAL 163 Ca 0.03 0.96 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 2a3x s VAL 163 Cb 0.02 -4.64 -0.11 0.00 0.00 0.00 0.00 36.38 31.65 2a3x s VAL 163 CO -0.12 -1.16 1.39 -0.76 0.00 0.00 0.00 175.10 174.45 2a3x s LEU 164 N 4.59 4.38 0.76 3.92 1.02 -1.26 -5.03 118.68 127.07 2a3x s LEU 164 Ca 0.43 2.85 -0.12 0.00 0.02 0.00 0.00 54.13 57.32 2a3x s LEU 164 Cb -0.08 -3.66 0.05 0.00 0.02 0.00 0.00 46.19 42.52 2a3x s LEU 164 CO 0.27 -0.69 1.11 -2.84 0.02 0.00 0.00 176.35 174.22 2a3x s PRO 165 N -1.91 2.36 0.33 1.29 0.02 -1.26 -4.84 135.00 130.99 2a3x s PRO 165 Ca 0.51 0.49 0.09 0.00 0.02 0.00 0.00 61.00 62.11 2a3x s PRO 165 Cb -0.43 -1.96 0.83 0.00 0.02 0.00 0.00 34.50 32.96 2a3x s PRO 165 CO 0.57 -1.39 1.78 -1.35 -0.33 0.00 0.00 177.00 176.28 2a3x h PRO 166 N -0.92 0.65 0.40 5.54 0.11 -1.99 -2.11 132.00 133.68 2a3x h PRO 166 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2a3x h PRO 166 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2a3x h PRO 166 CO 0.62 0.43 -0.19 0.93 -0.21 0.00 0.00 178.00 179.58 2a3x h GLU 167 N 0.67 -0.51 -0.12 1.05 3.07 -1.98 -0.78 114.58 115.98 2a3x h GLU 167 Ca 0.58 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.47 2a3x h GLU 167 Cb 1.03 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 2a3x h GLU 167 CO -0.36 -0.34 0.05 -0.91 -1.40 0.00 0.00 179.01 176.05 2a3x h ASN 168 N -0.53 0.14 -0.15 1.42 2.35 -1.79 0.28 115.58 117.28 2a3x h ASN 168 Ca -0.05 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2a3x h ASN 168 Cb 0.41 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2a3x h ASN 168 CO 0.09 0.13 -0.01 0.40 -1.65 0.00 0.00 177.43 176.38 2a3x h ILE 169 N 0.16 1.27 0.00 2.81 1.08 -1.18 -2.36 117.51 119.28 2a3x h ILE 169 Ca 0.04 -0.90 -0.03 0.00 -0.39 0.00 0.00 64.86 63.58 2a3x h ILE 169 Cb 0.03 1.55 -0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2a3x h ILE 169 CO -0.01 0.26 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.50 2a3x h LEU 170 N 0.01 0.00 -0.47 1.44 3.38 0.08 -2.30 115.31 117.44 2a3x h LEU 170 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2a3x h LEU 170 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2a3x h LEU 170 CO 0.01 0.15 0.07 0.28 0.09 0.00 0.00 178.44 179.05 2a3x h SER 171 N 0.00 0.75 -0.41 -0.43 0.02 -0.31 -1.02 113.55 112.16 2a3x h SER 171 Ca -0.00 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 2a3x h SER 171 Cb 0.30 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2a3x h SER 171 CO 0.02 0.82 0.07 0.00 -1.14 0.00 0.00 176.83 176.60 2a3x h ALA 172 N 0.96 0.54 -0.29 3.77 0.00 -0.90 0.23 119.26 123.56 2a3x h ALA 172 Ca 0.14 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2a3x h ALA 172 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2a3x h ALA 172 CO 0.01 0.25 -0.33 -0.92 0.00 0.00 0.00 179.25 178.25 2a3x h TYR 173 N 0.52 0.74 0.00 0.00 3.20 -1.41 -2.76 116.97 117.26 2a3x h TYR 173 Ca 0.12 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2a3x h TYR 173 Cb 0.36 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2a3x h TYR 173 CO 0.02 0.89 0.00 0.94 -1.64 0.00 0.00 178.16 178.37 2a3x n GLN 174 N -4.06 0.09 0.00 1.82 7.27 -0.39 -4.90 117.38 117.21 2a3x n GLN 174 Ca -0.01 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2a3x n GLN 174 Cb 0.48 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.63 2a3x n GLN 174 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2a3x n GLY 175 N 1.10 0.92 2.73 1.69 0.00 -0.88 -5.06 105.19 105.70 2a3x n GLY 175 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2a3x n GLY 175 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2a3x n THR 176 N -0.86 0.79 -3.25 2.61 -1.04 0.75 -4.99 114.28 108.29 2a3x n THR 176 Ca 0.00 -4.44 -0.39 0.00 -2.04 0.00 0.00 64.05 57.18 2a3x n THR 176 Cb 0.00 -2.02 -0.06 0.00 -1.82 0.00 0.00 70.33 66.43 2a3x n THR 176 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2a3x s PRO 177 N -1.04 4.25 0.23 -2.82 0.05 -1.25 -4.13 135.00 130.29 2a3x s PRO 177 Ca 0.28 0.72 -0.31 0.00 0.05 0.00 0.00 61.00 61.74 2a3x s PRO 177 Cb -0.01 -3.29 -0.14 0.00 0.05 0.00 0.00 34.50 31.11 2a3x s PRO 177 CO -0.17 0.51 1.31 1.28 0.05 0.00 0.00 177.00 179.98 2a3x n LEU 178 N 2.19 2.61 -4.65 -3.56 4.32 -1.26 -4.84 117.00 111.81 2a3x n LEU 178 Ca -0.09 1.15 -0.54 0.00 -0.02 0.00 0.00 56.01 56.51 2a3x n LEU 178 Cb 0.51 -1.36 -0.07 0.00 -1.62 0.00 0.00 43.42 40.88 2a3x n LEU 178 CO 0.42 -0.77 1.46 -0.81 -1.22 0.00 0.00 177.39 176.47 2a3x n PRO 179 N 1.80 1.36 -3.55 3.23 -0.04 -1.26 -4.92 135.00 131.62 2a3x n PRO 179 Ca 0.12 0.48 -0.36 0.00 -0.04 0.00 0.00 63.50 63.70 2a3x n PRO 179 Cb 0.30 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 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 4.39 3.71 -2.24 0.55 0.00 -1.26 -5.03 121.76 121.89 2a3x s ALA 180 Ca 1.00 -0.32 0.18 0.00 0.00 0.00 0.00 51.96 52.82 2a3x s ALA 180 Cb -0.96 -2.31 0.14 0.00 0.00 0.00 0.00 23.12 19.99 2a3x s ALA 180 CO 0.60 0.53 1.07 0.27 0.00 0.00 0.00 175.76 178.23 2a3x n ASN 181 N 1.21 2.47 -0.03 0.00 0.23 -1.23 -4.48 115.26 113.43 2a3x n ASN 181 Ca -0.10 -1.74 -0.07 0.00 -0.53 0.00 0.00 54.58 52.15 2a3x n ASN 181 Cb 0.52 0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 2a3x n ASN 181 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2a3x n ILE 182 N 0.96 1.19 -3.91 1.53 5.41 -0.90 -4.95 119.36 118.68 2a3x n ILE 182 Ca 0.10 0.17 -0.26 0.00 1.00 0.00 0.00 62.75 63.76 2a3x n ILE 182 Cb 0.45 -1.87 -0.17 0.00 -0.71 0.00 0.00 39.64 37.34 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 -7.24 1.10 -0.13 1.39 1.02 -0.93 -4.68 118.68 109.20 2a3x s LEU 183 Ca -0.15 -0.26 0.01 0.00 0.02 0.00 0.00 54.13 53.76 2a3x s LEU 183 Cb 0.03 -0.76 0.02 0.00 0.02 0.00 0.00 46.19 45.50 2a3x s LEU 183 CO 0.21 -0.13 -0.17 -0.62 0.02 0.00 0.00 176.35 175.66 2a3x s ASP 184 N 1.70 2.74 0.16 2.29 -1.08 -1.26 0.04 116.67 121.25 2a3x s ASP 184 Ca 0.04 -0.51 -0.15 0.00 -0.52 0.00 0.00 52.55 51.41 2a3x s ASP 184 Cb -0.13 -1.24 0.04 0.00 -1.46 0.00 0.00 42.92 40.13 2a3x s ASP 184 CO -0.07 0.01 1.78 -0.25 0.52 0.00 0.00 175.17 177.16 2a3x h TRP 185 N 7.62 0.66 0.00 -5.34 2.91 -1.77 -2.36 115.95 117.67 2a3x h TRP 185 Ca -0.35 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.66 2a3x h TRP 185 Cb 1.16 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.60 2a3x h TRP 185 CO 0.47 0.48 0.00 1.04 -1.03 0.00 0.00 178.44 179.40 2a3x n GLN 186 N -4.68 0.67 -2.97 2.65 6.02 -1.26 -2.65 117.38 115.16 2a3x n GLN 186 Ca 0.02 0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.87 2a3x n GLN 186 Cb 0.07 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.07 0.38 -2.73 -1.58 0.00 -0.96 -3.69 120.51 110.86 2a3x n ALA 187 Ca 0.17 -2.29 -0.35 0.00 0.00 0.00 0.00 53.44 50.97 2a3x n ALA 187 Cb 0.11 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.71 3.58 -0.58 0.00 2.96 0.43 -4.39 118.68 119.98 2a3x s LEU 188 Ca 0.33 0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 54.27 2a3x s LEU 188 Cb 0.17 -1.83 0.15 0.00 0.50 0.00 0.00 46.19 45.18 2a3x s LEU 188 CO -0.17 0.34 0.46 0.20 -1.32 0.00 0.00 176.35 175.85 2a3x s ASN 189 N -0.65 5.84 0.29 3.68 -0.87 -1.26 -0.87 114.94 121.10 2a3x s ASN 189 Ca 0.11 -2.26 0.10 0.00 -1.57 0.00 0.00 52.86 49.24 2a3x s ASN 189 Cb -0.12 -2.03 -0.05 0.00 -0.02 0.00 0.00 41.25 39.04 2a3x s ASN 189 CO 0.02 -0.61 -0.04 -0.72 -2.57 0.00 0.00 177.10 173.18 2a3x s TYR 190 N 0.84 2.57 -0.10 2.20 1.13 -1.26 0.14 117.35 122.87 2a3x s TYR 190 Ca 0.10 -0.30 -0.01 0.00 -1.41 0.00 0.00 57.07 55.45 2a3x s TYR 190 Cb -0.22 -1.22 0.03 0.00 -1.10 0.00 0.00 41.96 39.45 2a3x s TYR 190 CO -0.03 0.61 -0.01 -1.21 -2.51 0.00 0.00 175.55 172.40 2a3x s GLU 191 N -3.65 0.80 0.07 -3.49 0.41 0.12 -4.93 118.70 108.02 2a3x s GLU 191 Ca 0.32 -0.05 -0.25 0.00 -0.41 0.00 0.00 54.97 54.58 2a3x s GLU 191 Cb -0.05 -1.28 -0.06 0.00 -1.78 0.00 0.00 34.13 30.97 2a3x s GLU 191 CO 0.19 -0.35 0.78 0.42 -0.49 0.00 0.00 175.26 175.81 2a3x s ILE 192 N 1.90 4.66 -0.08 -1.63 1.01 -1.26 -0.45 121.20 125.35 2a3x s ILE 192 Ca 0.04 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.36 2a3x s ILE 192 Cb -0.13 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.23 2a3x s ILE 192 CO -0.06 0.39 -0.07 -0.13 0.00 0.00 0.00 174.94 175.06 2a3x s ARG 193 N -0.23 1.29 3.47 2.79 1.81 -0.11 -4.98 118.95 122.99 2a3x s ARG 193 Ca 0.39 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 54.18 2a3x s ARG 193 Cb -0.21 -1.27 0.00 0.00 -0.45 0.00 0.00 34.95 33.02 2a3x s ARG 193 CO 0.24 -0.14 0.00 0.41 -0.68 0.00 0.00 175.30 175.13 2a3x n GLY 194 N 4.40 0.24 3.50 -3.53 0.00 -1.26 -1.71 105.19 106.83 2a3x n GLY 194 Ca -0.18 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 2.89 -0.05 1.61 5.04 -1.26 -4.91 117.35 120.67 2a3x s TYR 195 Ca 0.00 -1.19 -0.02 0.00 -2.44 0.00 0.00 57.07 53.42 2a3x s TYR 195 Cb 0.00 -4.46 0.03 0.00 0.35 0.00 0.00 41.96 37.89 2a3x s TYR 195 CO 0.00 -1.67 0.10 0.54 -1.34 0.00 0.00 175.55 173.18 2a3x s VAL 196 N 3.60 -0.04 0.01 3.14 0.11 -1.26 -4.40 120.40 121.55 2a3x s VAL 196 Ca 0.38 0.16 0.05 0.00 -2.93 0.00 0.00 61.98 59.64 2a3x s VAL 196 Cb -0.03 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2a3x s VAL 196 CO -0.09 0.07 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.99 2a3x s ILE 197 N 0.96 3.24 -0.25 7.04 -1.09 -0.84 -4.90 121.20 125.37 2a3x s ILE 197 Ca -0.08 -0.93 -0.14 0.00 -2.23 0.00 0.00 60.65 57.28 2a3x s ILE 197 Cb -0.10 -2.38 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 2a3x s ILE 197 CO -0.04 0.39 0.31 -0.63 -1.23 0.00 0.00 174.94 173.75 2a3x s ILE 198 N -0.94 5.24 0.08 2.92 1.01 -1.26 0.61 121.20 128.86 2a3x s ILE 198 Ca 0.15 0.48 0.01 0.00 0.00 0.00 0.00 60.65 61.29 2a3x s ILE 198 Cb -0.11 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2a3x s ILE 198 CO 0.06 0.23 -0.06 -0.54 0.00 0.00 0.00 174.94 174.63 2a3x s LYS 199 N 1.61 0.72 0.44 2.79 -0.14 -0.62 -4.94 119.74 119.59 2a3x s LYS 199 Ca 0.14 -1.20 -0.25 0.00 -1.36 0.00 0.00 55.97 53.29 2a3x s LYS 199 Cb -0.15 -0.11 -0.09 0.00 -1.68 0.00 0.00 37.83 35.79 2a3x s LYS 199 CO 0.08 -0.03 1.23 -0.35 -0.76 0.00 0.00 175.35 175.53 2a3x n PRO 200 N 0.26 1.81 -2.84 -1.68 -0.04 -1.26 0.22 135.00 131.46 2a3x n PRO 200 Ca -0.14 0.65 -0.43 0.00 -0.04 0.00 0.00 63.50 63.54 2a3x n PRO 200 Cb 0.60 -2.35 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 2a3x n PRO 200 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2a3x s LEU 201 N -1.68 4.03 0.00 1.53 0.20 -0.04 -4.66 118.68 118.06 2a3x s LEU 201 Ca 0.62 0.46 0.05 0.00 0.69 0.00 0.00 54.13 55.96 2a3x s LEU 201 Cb -0.50 -3.20 -0.04 0.00 -0.43 0.00 0.00 46.19 42.01 2a3x s LEU 201 CO 0.57 -0.86 0.27 1.33 -0.29 0.00 0.00 176.35 177.37 2a3x n VAL 202 N 6.00 0.00 0.05 1.68 0.24 -1.26 -4.58 118.33 120.46 2a3x n VAL 202 Ca 0.06 -0.39 -0.04 0.00 -2.04 0.00 0.00 64.34 61.93 2a3x n VAL 202 Cb 0.48 1.01 0.13 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.96 1.19 -0.78 6.34 4.27 -1.26 -5.27 117.44 120.97 2a3x n TRP 203 Ca 0.01 -0.74 0.00 0.00 -3.89 0.00 0.00 57.50 52.88 2a3x n TRP 203 Cb 0.09 -0.44 0.00 0.00 -1.36 0.00 0.00 31.31 29.60 2a3x n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68