#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 1.10 -0.64 3.57 2.01 -1.20 -4.83 115.64 115.65 2a3x s THR 2 Ca 0.00 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 2a3x s THR 2 Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 2a3x s THR 2 CO 0.00 0.34 1.94 -0.62 -0.69 0.00 0.00 174.62 175.59 2a3x s ASP 3 N 0.53 5.13 -0.29 3.53 2.15 -1.20 -3.51 116.67 123.01 2a3x s ASP 3 Ca -0.11 0.29 0.08 0.00 0.43 0.00 0.00 52.55 53.23 2a3x s ASP 3 Cb -0.14 -2.53 0.64 0.00 -0.30 0.00 0.00 42.92 40.59 2a3x s ASP 3 CO 0.03 -2.51 1.68 0.18 -0.17 0.00 0.00 175.17 174.38 2a3x n LEU 4 N 13.36 5.62 -4.60 -1.34 4.32 -0.98 -4.95 117.00 128.43 2a3x n LEU 4 Ca 0.25 -2.93 -0.43 0.00 -0.02 0.00 0.00 56.01 52.88 2a3x n LEU 4 Cb 0.52 -0.72 -0.03 0.00 -1.62 0.00 0.00 43.42 41.57 2a3x n LEU 4 CO 0.69 0.76 1.46 -0.44 -1.22 0.00 0.00 177.39 178.64 2a3x s SER 5 N -0.81 6.04 0.00 -1.43 0.01 -1.26 -2.00 113.70 114.24 2a3x s SER 5 Ca 0.48 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2a3x s SER 5 Cb 0.38 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2a3x s SER 5 CO 0.12 -1.60 0.00 0.61 0.41 0.00 0.00 173.24 172.77 2a3x n GLY 6 N 5.28 0.83 3.15 3.44 0.00 -1.26 -5.06 105.19 111.58 2a3x n GLY 6 Ca 0.21 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.62 0.78 0.01 1.61 1.02 -0.85 -0.97 119.74 120.72 2a3x s LYS 7 Ca 0.00 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 54.96 2a3x s LYS 7 Cb 0.00 -0.52 -0.01 0.00 -0.52 0.00 0.00 37.83 36.78 2a3x s LYS 7 CO 0.00 0.09 -0.10 0.14 -0.92 0.00 0.00 175.35 174.56 2a3x s VAL 8 N -2.10 0.76 -0.21 3.17 -7.23 0.43 -4.53 120.40 110.68 2a3x s VAL 8 Ca 0.02 -0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 2a3x s VAL 8 Cb -0.05 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 2a3x s VAL 8 CO 0.00 0.05 1.42 -0.36 -0.31 0.00 0.00 175.10 175.90 2a3x s PHE 9 N -0.55 2.49 -0.31 2.82 0.08 0.33 -2.52 117.98 120.32 2a3x s PHE 9 Ca 0.01 0.74 -0.07 0.00 0.12 0.00 0.00 56.93 57.72 2a3x s PHE 9 Cb -0.05 -3.81 0.01 0.00 -0.57 0.00 0.00 43.02 38.59 2a3x s PHE 9 CO 0.00 -2.30 0.10 0.54 -0.10 0.00 0.00 175.22 173.47 2a3x s VAL 10 N 4.31 4.07 -0.62 -0.44 0.11 0.52 -1.57 120.40 126.79 2a3x s VAL 10 Ca 0.62 -0.72 -0.19 0.00 -2.93 0.00 0.00 61.98 58.76 2a3x s VAL 10 Cb -0.22 -3.13 0.11 0.00 -1.53 0.00 0.00 36.38 31.60 2a3x s VAL 10 CO 0.23 0.02 0.73 -0.36 -3.33 0.00 0.00 175.10 172.39 2a3x s PHE 11 N 1.51 3.03 -0.60 1.54 0.40 -0.01 -2.06 117.98 121.80 2a3x s PHE 11 Ca 0.02 -1.03 0.24 0.00 -0.60 0.00 0.00 56.93 55.57 2a3x s PHE 11 Cb -0.18 -4.02 0.44 0.00 0.51 0.00 0.00 43.02 39.78 2a3x s PHE 11 CO 0.03 -1.29 1.46 -1.00 0.70 0.00 0.00 175.22 175.12 2a3x h PRO 12 N 9.11 0.00 -4.01 0.24 0.14 -1.82 -0.71 132.00 134.95 2a3x h PRO 12 Ca -0.26 0.00 -0.10 0.00 0.14 0.00 0.00 66.00 65.78 2a3x h PRO 12 Cb 1.08 0.00 -0.15 0.00 0.14 0.00 0.00 31.00 32.08 2a3x h PRO 12 CO 1.09 0.00 -0.53 -0.98 0.14 0.00 0.00 178.00 177.72 2a3x s ARG 13 N -3.18 0.72 -0.01 0.86 1.04 -1.26 -4.96 118.95 112.16 2a3x s ARG 13 Ca 0.07 -1.07 -0.30 0.00 -1.04 0.00 0.00 55.73 53.39 2a3x s ARG 13 Cb 0.12 0.27 -0.04 0.00 -2.04 0.00 0.00 34.95 33.26 2a3x s ARG 13 CO 0.69 -0.18 1.17 -2.00 -0.04 0.00 0.00 175.30 174.93 2a3x s GLU 14 N -3.81 4.40 0.17 3.89 2.12 -1.26 -4.78 118.70 119.44 2a3x s GLU 14 Ca 0.05 1.66 -0.14 0.00 0.36 0.00 0.00 54.97 56.91 2a3x s GLU 14 Cb 0.06 -3.48 0.01 0.00 0.26 0.00 0.00 34.13 30.98 2a3x s GLU 14 CO -0.10 -0.34 0.40 -1.54 -0.54 0.00 0.00 175.26 173.14 2a3x s SER 15 N 1.28 -0.12 -0.13 -1.70 1.04 -1.26 -5.04 113.70 107.77 2a3x s SER 15 Ca 0.56 -0.61 0.15 0.00 0.48 0.00 0.00 55.95 56.53 2a3x s SER 15 Cb -0.25 0.50 0.43 0.00 0.10 0.00 0.00 66.02 66.79 2a3x s SER 15 CO 0.25 -0.95 1.33 0.55 0.98 0.00 0.00 173.24 175.40 2a3x n VAL 16 N -0.26 1.93 0.00 5.02 3.14 -1.26 -4.59 118.33 122.31 2a3x n VAL 16 Ca -0.10 -1.73 0.00 0.00 -2.96 0.00 0.00 64.34 59.55 2a3x n VAL 16 Cb 0.63 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 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 -0.45 0.00 -2.65 1.55 -1.04 -1.26 -4.76 114.28 105.68 2a3x n THR 17 Ca 0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.76 2a3x n THR 17 Cb 0.74 -0.14 -0.02 0.00 -1.82 0.00 0.00 70.33 69.09 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 -2.02 7.06 0.26 8.00 1.01 -1.26 -4.62 116.67 125.10 2a3x s ASP 18 Ca 0.00 1.31 -0.13 0.00 0.71 0.00 0.00 52.55 54.45 2a3x s ASP 18 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2a3x s ASP 18 CO 0.00 -0.72 0.51 -1.38 0.21 0.00 0.00 175.17 173.79 2a3x s HIS 19 N 3.31 0.38 -0.10 4.23 -3.43 -0.73 -4.52 115.29 114.44 2a3x s HIS 19 Ca 0.45 -0.75 0.00 0.00 -0.80 0.00 0.00 55.06 53.96 2a3x s HIS 19 Cb -0.14 0.23 0.02 0.00 -1.43 0.00 0.00 32.58 31.26 2a3x s HIS 19 CO 0.08 -1.05 -0.09 0.08 -2.00 0.00 0.00 174.74 171.76 2a3x s VAL 20 N -3.84 1.06 -0.20 -5.38 1.01 -1.09 -2.02 120.40 109.93 2a3x s VAL 20 Ca 0.22 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 2a3x s VAL 20 Cb -0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2a3x s VAL 20 CO 0.10 0.36 0.49 0.20 0.00 0.00 0.00 175.10 176.26 2a3x s ASN 21 N 1.37 6.53 -0.21 3.32 0.01 -0.51 -0.84 114.94 124.60 2a3x s ASN 21 Ca -0.01 0.63 -0.10 0.00 -0.71 0.00 0.00 52.86 52.67 2a3x s ASN 21 Cb -0.14 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 2a3x s ASN 21 CO -0.05 -0.17 0.13 -0.76 -1.51 0.00 0.00 177.10 174.74 2a3x s LEU 22 N 1.62 4.11 -0.13 0.60 2.01 -0.06 -0.89 118.68 125.95 2a3x s LEU 22 Ca 0.23 0.17 -0.13 0.00 0.01 0.00 0.00 54.13 54.40 2a3x s LEU 22 Cb -0.15 -2.07 -0.05 0.00 0.01 0.00 0.00 46.19 43.93 2a3x s LEU 22 CO 0.09 0.15 0.30 -0.63 1.01 0.00 0.00 176.35 177.27 2a3x s ILE 23 N 0.56 5.28 -0.03 -0.59 1.09 -0.99 -3.89 121.20 122.63 2a3x s ILE 23 Ca 0.07 0.57 0.08 0.00 -1.10 0.00 0.00 60.65 60.27 2a3x s ILE 23 Cb -0.12 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.64 2a3x s ILE 23 CO 0.00 0.44 -0.25 0.28 -0.10 0.00 0.00 174.94 175.31 2a3x s THR 24 N 0.07 2.01 -1.10 2.92 -1.32 -1.26 -4.60 115.64 112.37 2a3x s THR 24 Ca 0.18 -1.08 -0.19 0.00 -1.21 0.00 0.00 61.69 59.39 2a3x s THR 24 Cb -0.14 -1.67 0.10 0.00 -1.51 0.00 0.00 72.50 69.28 2a3x s THR 24 CO 0.06 0.57 1.44 -2.16 -2.21 0.00 0.00 174.62 172.31 2a3x s PRO 25 N -0.52 3.78 -0.29 7.08 0.04 -1.26 -4.89 135.00 138.93 2a3x s PRO 25 Ca 0.07 -1.76 -0.00 0.00 0.04 0.00 0.00 61.00 59.36 2a3x s PRO 25 Cb -0.10 -5.24 0.14 0.00 0.04 0.00 0.00 34.50 29.33 2a3x s PRO 25 CO -0.00 -2.03 0.30 -1.17 0.04 0.00 0.00 177.00 174.13 2a3x s LEU 26 N 3.61 -0.22 -0.35 -3.56 2.96 -1.26 -4.88 118.68 114.98 2a3x s LEU 26 Ca 0.44 -0.81 0.13 0.00 -0.22 0.00 0.00 54.13 53.67 2a3x s LEU 26 Cb -0.01 0.49 0.45 0.00 0.50 0.00 0.00 46.19 47.63 2a3x s LEU 26 CO -0.04 -0.38 1.04 1.21 -1.32 0.00 0.00 176.35 176.86 2a3x n GLU 27 N 5.25 2.20 -4.16 1.98 2.13 -1.26 -3.67 120.64 123.11 2a3x n GLU 27 Ca -0.01 -3.79 -0.25 0.00 0.66 0.00 0.00 57.16 53.76 2a3x n GLU 27 Cb 0.46 -1.71 -0.17 0.00 0.27 0.00 0.00 31.44 30.29 2a3x n GLU 27 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2a3x s LYS 28 N -3.38 1.52 0.23 5.31 2.20 -1.26 -5.05 119.74 119.31 2a3x s LYS 28 Ca 0.36 -0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.39 2a3x s LYS 28 Cb 0.42 -1.46 -0.15 0.00 -1.51 0.00 0.00 37.83 35.13 2a3x s LYS 28 CO -0.05 -0.15 0.88 -2.30 -0.36 0.00 0.00 175.35 173.37 2a3x n PRO 29 N 4.49 0.85 -2.55 4.03 -0.02 -1.26 -4.78 135.00 135.75 2a3x n PRO 29 Ca -0.17 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 2a3x n PRO 29 Cb 0.51 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.37 2a3x n PRO 29 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2a3x s LEU 30 N 1.27 4.50 0.06 2.45 2.96 0.14 -4.89 118.68 125.17 2a3x s LEU 30 Ca 0.64 2.04 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 2a3x s LEU 30 Cb -0.82 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.27 2a3x s LEU 30 CO 0.57 -0.19 0.00 1.67 -1.32 0.00 0.00 176.35 177.09 2a3x n GLN 31 N 2.40 0.00 -4.54 1.98 7.27 -1.26 -0.92 117.38 122.31 2a3x n GLN 31 Ca 0.02 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.84 2a3x n GLN 31 Cb 0.47 -0.46 -0.14 0.00 2.41 0.00 0.00 30.24 32.52 2a3x n GLN 31 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2a3x s ASN 32 N -5.48 2.54 0.15 1.69 0.01 -1.26 -2.01 114.94 110.59 2a3x s ASN 32 Ca 0.00 -0.58 -0.19 0.00 -0.71 0.00 0.00 52.86 51.38 2a3x s ASN 32 Cb 0.00 -0.19 0.05 0.00 0.41 0.00 0.00 41.25 41.52 2a3x s ASN 32 CO 0.00 0.14 0.50 0.72 -1.51 0.00 0.00 177.10 176.95 2a3x s PHE 33 N -0.91 -0.31 0.01 2.20 -0.12 -0.65 -3.55 117.98 114.66 2a3x s PHE 33 Ca 0.07 0.02 0.03 0.00 -0.05 0.00 0.00 56.93 57.01 2a3x s PHE 33 Cb -0.09 0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 42.68 2a3x s PHE 33 CO 0.03 -0.80 -0.11 0.99 -0.05 0.00 0.00 175.22 175.27 2a3x s THR 34 N -3.80 0.85 -0.06 -4.49 2.01 -0.78 -1.72 115.64 107.64 2a3x s THR 34 Ca 0.04 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.41 2a3x s THR 34 Cb 0.00 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.78 2a3x s THR 34 CO -0.10 0.11 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.63 2a3x s LEU 35 N -0.60 1.49 -0.03 4.42 2.96 -0.19 -1.19 118.68 125.55 2a3x s LEU 35 Ca 0.02 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2a3x s LEU 35 Cb -0.05 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.93 2a3x s LEU 35 CO 0.00 -0.01 -0.09 0.00 -1.32 0.00 0.00 176.35 174.93 2a3x s PHE 37 N 0.20 -0.36 -0.03 0.00 -0.12 -0.09 0.34 117.98 117.92 2a3x s PHE 37 Ca -0.03 0.05 -0.02 0.00 -0.05 0.00 0.00 56.93 56.88 2a3x s PHE 37 Cb -0.09 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 2a3x s PHE 37 CO 0.01 -0.96 0.10 1.03 -0.05 0.00 0.00 175.22 175.34 2a3x s ARG 38 N -3.82 3.17 -0.06 1.99 0.52 0.54 -0.90 118.95 120.38 2a3x s ARG 38 Ca 0.05 -0.40 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 2a3x s ARG 38 Cb -0.02 -2.94 0.04 0.00 0.52 0.00 0.00 34.95 32.55 2a3x s ARG 38 CO -0.06 0.68 0.12 0.00 0.02 0.00 0.00 175.30 176.06 2a3x s ALA 39 N -1.15 -0.10 -0.19 2.13 0.00 -0.29 -2.08 121.76 120.07 2a3x s ALA 39 Ca 0.21 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.69 2a3x s ALA 39 Cb -0.12 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.46 2a3x s ALA 39 CO 0.12 -0.34 -0.13 -0.47 0.00 0.00 0.00 175.76 174.94 2a3x s TYR 40 N 1.71 2.52 -0.06 0.00 5.04 0.81 -0.91 117.35 126.45 2a3x s TYR 40 Ca -0.03 -1.61 -0.24 0.00 -2.44 0.00 0.00 57.07 52.76 2a3x s TYR 40 Cb -0.12 -1.70 0.05 0.00 0.35 0.00 0.00 41.96 40.54 2a3x s TYR 40 CO -0.05 -0.75 0.53 0.45 -1.34 0.00 0.00 175.55 174.39 2a3x s SER 41 N 1.37 -0.48 -0.22 4.32 0.15 -1.26 -0.02 113.70 117.55 2a3x s SER 41 Ca 0.00 0.55 0.14 0.00 0.70 0.00 0.00 55.95 57.34 2a3x s SER 41 Cb -0.15 0.54 0.55 0.00 -1.71 0.00 0.00 66.02 65.25 2a3x s SER 41 CO -0.09 -0.50 1.48 -0.90 1.20 0.00 0.00 173.24 174.43 2a3x n ASP 42 N 1.29 3.72 -4.71 5.45 5.68 -1.26 -4.47 116.55 122.25 2a3x n ASP 42 Ca -0.19 -3.19 -0.42 0.00 -0.50 0.00 0.00 54.79 50.48 2a3x n ASP 42 Cb 0.57 -0.59 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 2a3x n ASP 42 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2a3x s LEU 43 N -2.94 4.37 -0.06 -2.12 2.96 -1.26 -4.95 118.68 114.68 2a3x s LEU 43 Ca 0.44 2.03 -0.17 0.00 -0.22 0.00 0.00 54.13 56.21 2a3x s LEU 43 Cb 0.37 -3.58 -0.30 0.00 0.50 0.00 0.00 46.19 43.18 2a3x s LEU 43 CO 0.08 -0.48 0.73 -1.28 -1.32 0.00 0.00 176.35 174.07 2a3x h SER 44 N 6.82 0.50 -3.25 3.68 0.87 -2.00 -3.48 113.55 116.70 2a3x h SER 44 Ca -0.41 -0.90 -0.40 0.00 -1.23 0.00 0.00 61.79 58.85 2a3x h SER 44 Cb 1.21 -0.16 0.21 0.00 -0.44 0.00 0.00 62.40 63.21 2a3x h SER 44 CO 0.82 1.59 0.00 0.00 -0.53 0.00 0.00 176.83 178.71 2a3x s ARG 45 N -2.49 -2.20 0.38 2.24 1.70 -1.26 -4.61 118.95 112.71 2a3x s ARG 45 Ca -0.16 -0.01 -0.24 0.00 -0.47 0.00 0.00 55.73 54.85 2a3x s ARG 45 Cb 0.03 -1.48 -0.10 0.00 -0.57 0.00 0.00 34.95 32.84 2a3x s ARG 45 CO 0.82 -4.37 1.00 0.00 -1.08 0.00 0.00 175.30 171.67 2a3x s ALA 46 N -2.64 3.12 -0.05 7.88 0.00 -1.23 -4.78 121.76 124.06 2a3x s ALA 46 Ca 0.70 0.60 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 2a3x s ALA 46 Cb -0.11 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.85 2a3x s ALA 46 CO 0.57 -0.03 0.58 1.52 0.00 0.00 0.00 175.76 178.39 2a3x s TYR 47 N -1.72 -0.53 0.02 0.00 -0.85 -0.89 -4.39 117.35 108.98 2a3x s TYR 47 Ca 0.56 0.94 -0.22 0.00 -0.52 0.00 0.00 57.07 57.82 2a3x s TYR 47 Cb -0.19 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.41 2a3x s TYR 47 CO 0.24 -0.53 0.66 -1.54 -1.52 0.00 0.00 175.55 172.86 2a3x s SER 48 N -1.12 7.07 -0.13 -0.18 1.04 -1.08 -1.33 113.70 117.96 2a3x s SER 48 Ca -0.11 1.27 -0.21 0.00 0.48 0.00 0.00 55.95 57.38 2a3x s SER 48 Cb -0.02 -2.41 -0.26 0.00 0.10 0.00 0.00 66.02 63.44 2a3x s SER 48 CO 0.08 0.07 0.57 -0.07 0.98 0.00 0.00 173.24 174.87 2a3x h LEU 49 N 5.64 0.20 -7.36 2.42 -0.00 -1.27 -3.42 115.31 111.53 2a3x h LEU 49 Ca -0.45 -0.82 -0.33 0.00 -0.00 0.00 0.00 57.88 56.28 2a3x h LEU 49 Cb 1.20 -0.07 -0.37 0.00 -0.00 0.00 0.00 40.66 41.43 2a3x h LEU 49 CO 0.70 1.40 -0.71 0.12 -0.00 0.00 0.00 178.44 179.95 2a3x s PHE 50 N -2.38 -0.01 -0.19 1.13 2.19 -1.05 -4.50 117.98 113.17 2a3x s PHE 50 Ca -0.21 0.31 0.01 0.00 0.33 0.00 0.00 56.93 57.37 2a3x s PHE 50 Cb 0.02 -0.35 0.02 0.00 -1.31 0.00 0.00 43.02 41.41 2a3x s PHE 50 CO 0.71 -0.18 -0.19 0.45 1.83 0.00 0.00 175.22 177.85 2a3x s SER 51 N 1.85 3.29 -0.26 6.13 0.15 -0.98 -1.54 113.70 122.34 2a3x s SER 51 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 2a3x s SER 51 Cb -0.12 -1.49 0.07 0.00 -1.71 0.00 0.00 66.02 62.77 2a3x s SER 51 CO -0.04 -0.02 0.00 -0.47 1.20 0.00 0.00 173.24 173.91 2a3x s TYR 52 N 1.27 2.19 0.10 3.44 6.14 0.31 -1.15 117.35 129.66 2a3x s TYR 52 Ca 0.03 -1.75 0.10 0.00 0.64 0.00 0.00 57.07 56.09 2a3x s TYR 52 Cb -0.14 -1.67 -0.04 0.00 0.42 0.00 0.00 41.96 40.54 2a3x s TYR 52 CO -0.12 -0.79 -0.25 -0.80 0.64 0.00 0.00 175.55 174.23 2a3x s ASN 53 N 1.46 3.02 0.42 4.32 -0.87 -1.16 -0.78 114.94 121.36 2a3x s ASN 53 Ca 0.00 -0.69 0.07 0.00 -1.57 0.00 0.00 52.86 50.67 2a3x s ASN 53 Cb -0.18 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.25 40.77 2a3x s ASN 53 CO -0.11 0.16 0.03 0.42 -2.57 0.00 0.00 177.10 175.04 2a3x s THR 54 N -1.02 1.96 0.07 1.60 -4.23 -1.13 -1.57 115.64 111.33 2a3x s THR 54 Ca 0.11 -1.96 -0.32 0.00 -1.18 0.00 0.00 61.69 58.34 2a3x s THR 54 Cb -0.10 -2.92 -0.11 0.00 1.34 0.00 0.00 72.50 70.71 2a3x s THR 54 CO 0.05 0.00 1.82 1.67 -0.54 0.00 0.00 174.62 177.62 2a3x n GLN 55 N -1.03 2.55 -0.94 3.99 7.27 -1.26 -2.10 117.38 125.85 2a3x n GLN 55 Ca -0.06 0.93 0.00 0.00 0.07 0.00 0.00 57.00 57.94 2a3x n GLN 55 Cb 0.67 -2.80 0.00 0.00 2.41 0.00 0.00 30.24 30.52 2a3x n GLN 55 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2a3x n GLY 56 N 4.17 0.34 2.79 1.69 0.00 -1.26 -4.95 105.19 107.97 2a3x n GLY 56 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.79 0.91 0.24 1.61 0.52 -0.89 -5.13 118.95 115.42 2a3x s ARG 57 Ca 0.00 -0.82 -0.16 0.00 -0.52 0.00 0.00 55.73 54.24 2a3x s ARG 57 Cb 0.00 -2.20 -0.08 0.00 0.52 0.00 0.00 34.95 33.19 2a3x s ARG 57 CO 0.00 -0.76 0.66 0.34 0.02 0.00 0.00 175.30 175.56 2a3x s ASP 58 N 1.65 6.86 -1.32 0.23 2.15 -1.26 -2.82 116.67 122.15 2a3x s ASP 58 Ca 0.02 1.23 -0.10 0.00 0.43 0.00 0.00 52.55 54.13 2a3x s ASP 58 Cb -0.18 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2a3x s ASP 58 CO -0.14 -0.04 0.52 0.59 -0.17 0.00 0.00 175.17 175.93 2a3x n ASN 59 N 0.28 -2.04 -0.05 -0.34 3.02 -1.26 -3.98 115.26 110.88 2a3x n ASN 59 Ca -0.01 -1.07 -0.12 0.00 -0.03 0.00 0.00 54.58 53.35 2a3x n ASN 59 Cb 0.52 -2.87 -0.07 0.00 -0.61 0.00 0.00 39.78 36.75 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 -1.94 0.30 -2.82 3.52 4.57 -1.67 -0.24 114.58 116.31 2a3x h GLU 60 Ca -0.65 -0.13 -0.36 0.00 -1.18 0.00 0.00 59.36 57.04 2a3x h GLU 60 Cb 1.38 -0.01 -0.37 0.00 -0.16 0.00 0.00 28.75 29.58 2a3x h GLU 60 CO 0.58 0.62 -0.67 -1.17 -1.18 0.00 0.00 179.01 177.19 2a3x s LEU 61 N -9.30 0.04 -0.03 1.64 2.96 0.04 -0.72 118.68 113.31 2a3x s LEU 61 Ca -0.14 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2a3x s LEU 61 Cb 0.05 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.93 2a3x s LEU 61 CO 0.73 -0.32 0.02 -0.22 -1.32 0.00 0.00 176.35 175.24 2a3x s LEU 62 N 2.26 0.96 -0.28 -0.68 2.96 -0.64 -0.53 118.68 122.72 2a3x s LEU 62 Ca 0.05 0.00 -0.10 0.00 -0.22 0.00 0.00 54.13 53.86 2a3x s LEU 62 Cb -0.15 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.32 2a3x s LEU 62 CO -0.10 -0.14 0.16 -0.69 -1.32 0.00 0.00 176.35 174.27 2a3x s VAL 63 N 1.26 4.97 0.04 1.68 1.01 -0.59 0.16 120.40 128.94 2a3x s VAL 63 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2a3x s VAL 63 Cb -0.13 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 2a3x s VAL 63 CO -0.02 0.22 -0.13 -0.47 0.00 0.00 0.00 175.10 174.70 2a3x s TYR 64 N 1.70 1.09 -0.33 5.22 5.04 0.08 -0.69 117.35 129.47 2a3x s TYR 64 Ca 0.06 -0.35 0.04 0.00 -2.44 0.00 0.00 57.07 54.38 2a3x s TYR 64 Cb -0.16 -0.65 0.09 0.00 0.35 0.00 0.00 41.96 41.59 2a3x s TYR 64 CO 0.09 0.02 0.02 0.21 -1.34 0.00 0.00 175.55 174.54 2a3x s LYS 65 N -1.11 1.62 0.07 4.97 2.20 -0.44 0.24 119.74 127.28 2a3x s LYS 65 Ca 0.00 -1.78 -0.25 0.00 -0.36 0.00 0.00 55.97 53.58 2a3x s LYS 65 Cb -0.08 -3.15 -0.16 0.00 -1.51 0.00 0.00 37.83 32.93 2a3x s LYS 65 CO 0.01 -0.87 1.63 0.93 -0.36 0.00 0.00 175.35 176.69 2a3x h GLU 66 N 7.64 -0.19 -2.95 4.03 4.39 -1.84 -2.37 114.58 123.29 2a3x h GLU 66 Ca -0.07 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2a3x h GLU 66 Cb 1.02 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2a3x h GLU 66 CO 0.51 -0.06 0.28 -0.98 -1.16 0.00 0.00 179.01 177.60 2a3x s ARG 67 N -5.85 2.00 -0.19 2.33 1.70 -1.25 -3.53 118.95 114.16 2a3x s ARG 67 Ca -0.14 -1.23 -0.36 0.00 -0.47 0.00 0.00 55.73 53.52 2a3x s ARG 67 Cb 0.05 0.60 -0.13 0.00 -0.57 0.00 0.00 34.95 34.90 2a3x s ARG 67 CO 0.65 -0.93 1.87 0.28 -1.08 0.00 0.00 175.30 176.08 2a3x n VAL 68 N -0.51 0.45 -0.57 4.99 0.31 -1.26 -0.85 118.33 120.88 2a3x n VAL 68 Ca -0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2a3x n VAL 68 Cb 0.60 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 4.56 0.77 3.07 2.92 0.00 -1.26 -4.98 105.19 110.28 2a3x n GLY 69 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.43 2.58 -0.08 1.61 2.02 -0.03 -0.16 118.70 124.21 2a3x s GLU 70 Ca 0.00 -0.88 0.05 0.00 0.02 0.00 0.00 54.97 54.16 2a3x s GLU 70 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 2a3x s GLU 70 CO 0.00 -0.31 -0.24 0.71 0.02 0.00 0.00 175.26 175.43 2a3x s TYR 71 N 1.31 2.48 -0.07 1.61 2.02 -0.84 -3.22 117.35 120.64 2a3x s TYR 71 Ca 0.01 -0.88 0.04 0.00 -0.37 0.00 0.00 57.07 55.87 2a3x s TYR 71 Cb -0.15 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2a3x s TYR 71 CO -0.10 -0.32 -0.18 -1.12 -1.57 0.00 0.00 175.55 172.26 2a3x s SER 72 N 0.09 3.66 -0.14 2.29 0.01 0.14 -1.61 113.70 118.14 2a3x s SER 72 Ca -0.11 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 2a3x s SER 72 Cb -0.16 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.04 2a3x s SER 72 CO 0.06 0.27 -0.03 -0.22 0.41 0.00 0.00 173.24 173.73 2a3x s LEU 73 N -0.27 3.29 -0.17 2.44 2.96 -0.51 -0.74 118.68 125.67 2a3x s LEU 73 Ca 0.01 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2a3x s LEU 73 Cb -0.13 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2a3x s LEU 73 CO 0.03 0.22 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.93 2a3x s TYR 74 N 0.05 3.00 -0.13 5.38 1.51 0.12 -1.46 117.35 125.83 2a3x s TYR 74 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 2a3x s TYR 74 Cb -0.13 -2.00 0.02 0.00 -0.11 0.00 0.00 41.96 39.74 2a3x s TYR 74 CO 0.03 -0.17 -0.11 0.42 -1.11 0.00 0.00 175.55 174.61 2a3x s ILE 75 N 0.67 1.31 -1.31 2.71 -1.09 -0.51 -1.63 121.20 121.36 2a3x s ILE 75 Ca -0.02 -0.47 -0.06 0.00 -2.23 0.00 0.00 60.65 57.87 2a3x s ILE 75 Cb -0.14 -1.27 0.01 0.00 -1.58 0.00 0.00 42.46 39.48 2a3x s ILE 75 CO 0.02 0.41 1.11 0.61 -1.23 0.00 0.00 174.94 175.87 2a3x n GLY 76 N 4.83 -0.48 4.04 6.18 0.00 0.10 -1.78 105.19 118.08 2a3x n GLY 76 Ca -0.15 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.69 0.00 -1.56 1.61 1.74 -0.10 -4.98 116.66 108.68 2a3x n ARG 77 Ca -0.10 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.67 2a3x n ARG 77 Cb 0.60 -0.18 0.05 0.00 -1.02 0.00 0.00 32.46 31.91 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 -0.08 3.09 -0.00 -1.55 3.76 -0.73 -5.03 115.29 114.75 2a3x s HIS 78 Ca 0.00 1.41 0.03 0.00 -0.15 0.00 0.00 55.06 56.35 2a3x s HIS 78 Cb 0.00 -2.89 -0.01 0.00 1.11 0.00 0.00 32.58 30.79 2a3x s HIS 78 CO 0.00 -1.26 -0.10 0.21 -0.85 0.00 0.00 174.74 172.74 2a3x s LYS 79 N -5.05 0.76 0.11 1.40 2.20 -1.26 -1.42 119.74 116.48 2a3x s LYS 79 Ca 0.58 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.86 2a3x s LYS 79 Cb -0.14 -0.73 -0.04 0.00 -1.51 0.00 0.00 37.83 35.41 2a3x s LYS 79 CO 0.55 0.20 -0.15 0.14 -0.36 0.00 0.00 175.35 175.72 2a3x s VAL 80 N -0.33 1.36 -0.04 4.02 -7.23 -0.53 -4.98 120.40 112.65 2a3x s VAL 80 Ca 0.03 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2a3x s VAL 80 Cb -0.04 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.48 2a3x s VAL 80 CO -0.00 -0.32 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.56 2a3x s THR 81 N -1.81 0.36 0.12 5.32 2.01 -1.26 -1.43 115.64 118.95 2a3x s THR 81 Ca 0.06 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.17 2a3x s THR 81 Cb -0.07 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 2a3x s THR 81 CO 0.03 0.20 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.50 2a3x s SER 82 N 1.20 2.81 0.04 3.53 0.01 -0.64 -5.00 113.70 115.66 2a3x s SER 82 Ca -0.07 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 56.50 2a3x s SER 82 Cb -0.14 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 2a3x s SER 82 CO -0.02 0.08 -0.04 -0.54 0.41 0.00 0.00 173.24 173.14 2a3x s LYS 83 N -2.08 2.56 0.04 12.44 1.02 -1.26 -1.98 119.74 130.48 2a3x s LYS 83 Ca 0.10 -0.76 -0.00 0.00 0.02 0.00 0.00 55.97 55.33 2a3x s LYS 83 Cb -0.09 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 2a3x s LYS 83 CO 0.05 0.58 -0.03 0.54 -0.92 0.00 0.00 175.35 175.57 2a3x s VAL 84 N -1.13 0.20 -0.26 3.17 0.11 0.77 -4.75 120.40 118.52 2a3x s VAL 84 Ca 0.21 -1.32 -0.27 0.00 -2.93 0.00 0.00 61.98 57.67 2a3x s VAL 84 Cb -0.11 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 2a3x s VAL 84 CO 0.12 -0.71 0.93 -0.63 -3.33 0.00 0.00 175.10 171.48 2a3x s ILE 85 N -2.52 4.73 -0.07 7.04 1.01 -1.26 -4.45 121.20 125.67 2a3x s ILE 85 Ca -0.05 1.71 -0.10 0.00 0.00 0.00 0.00 60.65 62.20 2a3x s ILE 85 Cb -0.02 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.24 2a3x s ILE 85 CO -0.05 -0.19 0.27 -1.83 0.00 0.00 0.00 174.94 173.14 2a3x s GLU 86 N 3.09 0.41 0.54 2.79 -1.05 -1.26 -5.06 118.70 118.16 2a3x s GLU 86 Ca 0.39 0.18 -0.19 0.00 -0.15 0.00 0.00 54.97 55.20 2a3x s GLU 86 Cb -0.15 0.19 -0.06 0.00 -0.44 0.00 0.00 34.13 33.68 2a3x s GLU 86 CO 0.09 -0.08 1.11 0.15 0.95 0.00 0.00 175.26 177.48 2a3x s LYS 87 N -0.33 3.39 -0.03 -4.83 1.02 -1.26 -4.84 119.74 112.86 2a3x s LYS 87 Ca -0.04 1.55 -0.00 0.00 0.02 0.00 0.00 55.97 57.49 2a3x s LYS 87 Cb -0.03 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2a3x s LYS 87 CO 0.01 -0.80 0.02 0.12 -0.92 0.00 0.00 175.35 173.78 2a3x s PHE 88 N -1.86 0.18 0.36 3.18 5.36 -1.26 -3.61 117.98 120.33 2a3x s PHE 88 Ca 0.71 0.08 -0.14 0.00 -0.96 0.00 0.00 56.93 56.62 2a3x s PHE 88 Cb -0.22 -0.37 -0.08 0.00 -0.34 0.00 0.00 43.02 42.00 2a3x s PHE 88 CO 0.27 -0.13 0.77 -1.25 -1.46 0.00 0.00 175.22 173.42 2a3x s PRO 89 N 1.27 3.95 -0.20 10.12 0.04 -1.26 -5.19 135.00 143.72 2a3x s PRO 89 Ca -0.06 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.45 2a3x s PRO 89 Cb -0.13 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 32.08 2a3x s PRO 89 CO -0.03 0.07 0.53 0.00 0.04 0.00 0.00 177.00 177.61 2a3x s ALA 90 N -2.15 -1.33 0.19 8.56 0.00 -1.24 -5.09 121.76 120.71 2a3x s ALA 90 Ca 0.54 1.54 -0.32 0.00 0.00 0.00 0.00 51.96 53.72 2a3x s ALA 90 Cb -0.10 -0.90 -0.11 0.00 0.00 0.00 0.00 23.12 22.01 2a3x s ALA 90 CO 0.22 -0.26 1.66 -2.14 0.00 0.00 0.00 175.76 175.25 2a3x s PRO 91 N 0.39 4.16 0.08 0.00 0.02 -1.26 -4.63 135.00 133.76 2a3x s PRO 91 Ca -0.01 2.51 0.08 0.00 0.02 0.00 0.00 61.00 63.60 2a3x s PRO 91 Cb -0.04 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 2a3x s PRO 91 CO -0.01 -0.70 -0.22 0.54 -0.33 0.00 0.00 177.00 176.29 2a3x s VAL 92 N 1.22 1.77 -0.13 3.83 0.11 -0.09 -4.99 120.40 122.11 2a3x s VAL 92 Ca 0.73 -1.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2a3x s VAL 92 Cb -0.47 -1.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.79 2a3x s VAL 92 CO 0.32 0.09 -0.12 -2.28 -3.33 0.00 0.00 175.10 169.78 2a3x s HIS 93 N -0.98 2.84 -0.05 1.54 2.46 -1.26 -1.14 115.29 118.69 2a3x s HIS 93 Ca 0.08 -0.60 0.04 0.00 0.47 0.00 0.00 55.06 55.05 2a3x s HIS 93 Cb -0.09 -1.86 -0.00 0.00 -0.13 0.00 0.00 32.58 30.50 2a3x s HIS 93 CO 0.03 -0.19 -0.18 0.42 -2.47 0.00 0.00 174.74 172.35 2a3x s ILE 94 N 0.35 1.54 -0.04 0.89 1.01 -0.08 -0.87 121.20 124.00 2a3x s ILE 94 Ca -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2a3x s ILE 94 Cb -0.16 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 40.99 2a3x s ILE 94 CO 0.05 0.44 -0.12 0.00 0.00 0.00 0.00 174.94 175.32 2a3x s VAL 96 N 0.35 1.35 0.25 0.00 0.11 0.19 -0.31 120.40 122.33 2a3x s VAL 96 Ca -0.07 -0.68 0.10 0.00 -2.93 0.00 0.00 61.98 58.40 2a3x s VAL 96 Cb -0.12 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 2a3x s VAL 96 CO 0.02 0.39 -0.09 -0.94 -3.33 0.00 0.00 175.10 171.15 2a3x s SER 97 N -0.01 4.18 0.02 3.54 1.04 -0.60 -1.02 113.70 120.85 2a3x s SER 97 Ca -0.02 -0.74 -0.19 0.00 0.48 0.00 0.00 55.95 55.48 2a3x s SER 97 Cb -0.10 -0.65 0.04 0.00 0.10 0.00 0.00 66.02 65.40 2a3x s SER 97 CO 0.02 0.04 0.41 0.86 0.98 0.00 0.00 173.24 175.55 2a3x s TRP 98 N -2.20 -0.28 -0.38 5.02 -0.00 -0.70 -1.55 118.94 118.85 2a3x s TRP 98 Ca 0.29 0.34 0.05 0.00 -0.00 0.00 0.00 56.10 56.78 2a3x s TRP 98 Cb -0.07 0.20 0.17 0.00 -0.00 0.00 0.00 33.47 33.77 2a3x s TRP 98 CO 0.17 -0.52 0.48 -2.00 -0.00 0.00 0.00 176.95 175.08 2a3x s GLU 99 N -1.98 0.70 0.30 5.86 2.12 -1.19 -1.63 118.70 122.88 2a3x s GLU 99 Ca -0.08 -0.57 0.03 0.00 0.36 0.00 0.00 54.97 54.71 2a3x s GLU 99 Cb -0.02 -0.37 0.76 0.00 0.26 0.00 0.00 34.13 34.76 2a3x s GLU 99 CO 0.01 -1.19 1.47 0.45 -0.54 0.00 0.00 175.26 175.47 2a3x n SER 100 N 4.37 -0.07 -0.16 -1.70 2.88 -0.85 0.11 113.62 118.19 2a3x n SER 100 Ca 0.11 1.59 0.14 0.00 -1.33 0.00 0.00 58.87 59.38 2a3x n SER 100 Cb 0.50 -0.60 0.48 0.00 -0.75 0.00 0.00 64.21 63.85 2a3x n SER 100 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2a3x h SER 101 N 0.00 0.43 0.00 -3.46 4.64 -1.90 -2.53 113.55 110.73 2a3x h SER 101 Ca 0.59 0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.73 2a3x h SER 101 Cb 1.25 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 2a3x h SER 101 CO -0.87 0.23 -1.75 -1.54 -0.87 0.00 0.00 176.83 172.03 2a3x n SER 102 N -4.49 2.38 0.00 4.97 3.41 -0.49 -4.84 113.62 114.57 2a3x n SER 102 Ca 0.14 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2a3x n SER 102 Cb 0.48 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 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 2.38 0.88 3.72 5.00 0.00 0.31 -4.83 105.19 112.65 2a3x n GLY 103 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.05 3.29 -0.18 -0.61 -1.09 -1.25 -0.94 121.20 117.38 2a3x s ILE 104 Ca 0.00 0.96 -0.03 0.00 -2.23 0.00 0.00 60.65 59.35 2a3x s ILE 104 Cb 0.00 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 2a3x s ILE 104 CO 0.00 0.09 -0.06 0.00 -1.23 0.00 0.00 174.94 173.74 2a3x s ALA 105 N 0.88 2.83 -0.39 9.38 0.00 0.14 -3.16 121.76 131.43 2a3x s ALA 105 Ca 0.63 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2a3x s ALA 105 Cb -0.37 -1.54 0.11 0.00 0.00 0.00 0.00 23.12 21.32 2a3x s ALA 105 CO 0.32 -0.06 0.13 -2.00 0.00 0.00 0.00 175.76 174.15 2a3x s GLU 106 N 0.85 1.46 -0.04 0.00 2.12 -0.59 -1.93 118.70 120.57 2a3x s GLU 106 Ca -0.02 -1.95 -0.21 0.00 0.36 0.00 0.00 54.97 53.15 2a3x s GLU 106 Cb -0.15 -2.97 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 2a3x s GLU 106 CO 0.01 -1.01 0.62 -0.06 -0.54 0.00 0.00 175.26 174.28 2a3x s PHE 107 N 0.67 3.63 -0.10 5.30 0.08 -1.26 -1.56 117.98 124.74 2a3x s PHE 107 Ca 0.13 1.18 0.02 0.00 0.12 0.00 0.00 56.93 58.38 2a3x s PHE 107 Cb -0.21 -2.67 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 2a3x s PHE 107 CO -0.08 0.25 -0.18 -1.58 -0.10 0.00 0.00 175.22 173.53 2a3x s TRP 108 N 0.21 2.09 -0.20 0.36 0.52 0.58 -0.86 118.94 121.65 2a3x s TRP 108 Ca 0.32 -0.93 0.01 0.00 0.02 0.00 0.00 56.10 55.53 2a3x s TRP 108 Cb -0.18 -1.47 0.03 0.00 -1.15 0.00 0.00 33.47 30.70 2a3x s TRP 108 CO 0.17 -0.44 -0.18 0.42 0.02 0.00 0.00 176.95 176.94 2a3x s ILE 109 N 0.74 2.14 -1.67 2.03 -1.09 0.38 -1.95 121.20 121.79 2a3x s ILE 109 Ca -0.11 -1.04 -0.16 0.00 -2.23 0.00 0.00 60.65 57.10 2a3x s ILE 109 Cb -0.16 -1.96 0.14 0.00 -1.58 0.00 0.00 42.46 38.90 2a3x s ILE 109 CO 0.02 0.44 0.75 0.59 -1.23 0.00 0.00 174.94 175.50 2a3x n ASN 110 N 4.60 -3.00 0.00 3.58 3.02 -0.05 -0.79 115.26 122.62 2a3x n ASN 110 Ca -0.20 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2a3x n ASN 110 Cb 0.49 -2.82 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 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 -1.49 0.86 3.61 7.41 0.00 -1.26 -5.02 105.19 109.29 2a3x n GLY 111 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.40 4.84 0.00 2.61 2.01 0.03 -4.99 115.64 116.74 2a3x s THR 112 Ca 0.00 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 2a3x s THR 112 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2a3x s THR 112 CO 0.00 0.42 1.14 -2.16 -0.69 0.00 0.00 174.62 173.33 2a3x s PRO 113 N 0.70 4.43 0.59 4.92 0.04 -1.26 -0.47 135.00 143.95 2a3x s PRO 113 Ca 0.04 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 2a3x s PRO 113 Cb -0.13 -3.45 0.13 0.00 0.04 0.00 0.00 34.50 31.09 2a3x s PRO 113 CO 0.02 -0.28 0.80 1.28 0.04 0.00 0.00 177.00 178.86 2a3x n LEU 114 N 4.39 0.00 -4.70 -3.56 4.77 -0.04 -4.96 117.00 112.91 2a3x n LEU 114 Ca 0.09 -1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 2a3x n LEU 114 Cb 0.47 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2a3x n LEU 114 CO 0.54 -1.02 1.00 -0.69 -1.33 0.00 0.00 177.39 175.89 2a3x s VAL 115 N -2.60 3.94 0.24 4.08 1.01 -1.26 -4.77 120.40 121.04 2a3x s VAL 115 Ca 0.48 1.33 -0.31 0.00 0.00 0.00 0.00 61.98 63.48 2a3x s VAL 115 Cb -0.02 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 2a3x s VAL 115 CO 0.33 0.03 1.62 -0.54 0.00 0.00 0.00 175.10 176.54 2a3x s LYS 116 N 1.90 4.15 0.52 2.72 1.02 -1.26 -4.78 119.74 124.01 2a3x s LYS 116 Ca 0.60 2.53 0.02 0.00 0.02 0.00 0.00 55.97 59.14 2a3x s LYS 116 Cb -0.29 -3.07 -0.00 0.00 -0.52 0.00 0.00 37.83 33.95 2a3x s LYS 116 CO 0.26 -0.65 0.09 0.15 -0.92 0.00 0.00 175.35 174.27 2a3x s LYS 117 N 0.35 2.21 -0.07 1.68 -0.14 -0.81 -4.95 119.74 118.00 2a3x s LYS 117 Ca 0.68 -2.32 -0.03 0.00 -1.36 0.00 0.00 55.97 52.94 2a3x s LYS 117 Cb -0.47 -1.65 0.04 0.00 -1.68 0.00 0.00 37.83 34.06 2a3x s LYS 117 CO 0.39 -0.41 0.16 0.20 -0.76 0.00 0.00 175.35 174.94 2a3x s GLY 118 N -3.96 -0.05 -0.03 -3.33 0.00 -1.26 0.23 107.32 98.92 2a3x s GLY 118 Ca 0.12 0.71 -0.14 0.00 0.00 0.00 0.00 44.72 45.41 2a3x s GLY 118 CO 0.07 1.00 0.31 0.48 0.00 0.00 0.00 173.10 174.96 2a3x s LEU 119 N 1.13 0.86 -0.89 0.66 2.34 -0.12 -4.97 118.68 117.69 2a3x s LEU 119 Ca -0.09 0.17 -0.06 0.00 0.06 0.00 0.00 54.13 54.22 2a3x s LEU 119 Cb -0.11 1.22 -0.01 0.00 -0.56 0.00 0.00 46.19 46.74 2a3x s LEU 119 CO -0.06 -0.39 0.70 0.54 -1.06 0.00 0.00 176.35 176.08 2a3x n ARG 120 N 1.55 -1.39 -2.84 1.48 1.74 -1.26 -4.62 116.66 111.32 2a3x n ARG 120 Ca -0.20 0.96 -0.42 0.00 -0.77 0.00 0.00 57.85 57.42 2a3x n ARG 120 Cb 0.56 -4.23 -0.04 0.00 -1.02 0.00 0.00 32.46 27.73 2a3x n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2a3x s GLN 121 N -4.46 4.34 0.00 5.56 0.74 -1.26 -3.07 119.66 121.51 2a3x s GLN 121 Ca 0.15 1.11 0.00 0.00 0.05 0.00 0.00 55.36 56.67 2a3x s GLN 121 Cb -0.05 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.51 2a3x s GLN 121 CO 0.83 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.68 2a3x n GLY 122 N 3.33 0.61 3.85 2.59 0.00 -0.97 -5.04 105.19 109.56 2a3x n GLY 122 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.38 3.63 -0.06 1.61 5.04 -1.17 -5.06 117.35 118.95 2a3x s TYR 123 Ca 0.00 0.91 0.05 0.00 -2.44 0.00 0.00 57.07 55.59 2a3x s TYR 123 Cb 0.00 -2.24 -0.01 0.00 0.35 0.00 0.00 41.96 40.06 2a3x s TYR 123 CO 0.00 0.53 -0.22 -0.06 -1.34 0.00 0.00 175.55 174.46 2a3x s PHE 124 N -1.33 2.23 -0.00 4.97 0.08 -1.26 -4.62 117.98 118.04 2a3x s PHE 124 Ca 0.32 -0.73 -0.30 0.00 0.12 0.00 0.00 56.93 56.34 2a3x s PHE 124 Cb -0.15 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 2a3x s PHE 124 CO 0.17 -0.25 1.20 0.14 -0.10 0.00 0.00 175.22 176.37 2a3x s VAL 125 N 0.05 4.18 0.54 -0.44 -7.23 -0.10 -4.84 120.40 112.56 2a3x s VAL 125 Ca -0.08 1.54 -0.21 0.00 -1.81 0.00 0.00 61.98 61.42 2a3x s VAL 125 Cb -0.14 -3.99 -0.06 0.00 0.56 0.00 0.00 36.38 32.75 2a3x s VAL 125 CO 0.04 0.05 1.14 -0.62 -0.31 0.00 0.00 175.10 175.41 2a3x n GLU 126 N 4.64 1.35 -0.02 4.82 -0.58 -1.26 -0.68 120.64 128.90 2a3x n GLU 126 Ca 0.10 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 2a3x n GLU 126 Cb 0.46 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 2a3x n GLU 126 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2a3x n ALA 127 N -1.14 0.00 -3.93 0.62 0.00 -1.26 -4.64 120.51 110.16 2a3x n ALA 127 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 2a3x n ALA 127 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.12 -3.28 -2.41 0.00 6.02 -1.24 -4.86 117.38 111.49 2a3x n GLN 128 Ca 0.00 0.41 -0.28 0.00 -0.01 0.00 0.00 57.00 57.13 2a3x n GLN 128 Cb 0.00 -4.53 0.01 0.00 1.02 0.00 0.00 30.24 26.74 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 -6.51 3.31 -0.23 -1.09 0.04 -1.26 -4.57 135.00 124.69 2a3x s PRO 129 Ca 0.02 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2a3x s PRO 129 Cb -0.01 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.28 2a3x s PRO 129 CO 0.88 -0.46 -0.12 0.21 0.04 0.00 0.00 177.00 177.56 2a3x s LYS 130 N -4.92 2.79 -0.21 4.56 2.20 -0.61 -4.90 119.74 118.66 2a3x s LYS 130 Ca 0.51 -0.99 -0.07 0.00 -0.36 0.00 0.00 55.97 55.07 2a3x s LYS 130 Cb -0.10 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 2a3x s LYS 130 CO 0.47 -0.36 0.05 0.42 -0.36 0.00 0.00 175.35 175.56 2a3x s ILE 131 N 1.28 4.39 0.17 5.43 1.01 -1.25 -2.96 121.20 129.26 2a3x s ILE 131 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2a3x s ILE 131 Cb -0.16 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2a3x s ILE 131 CO -0.07 0.41 -0.22 0.68 0.00 0.00 0.00 174.94 175.74 2a3x s VAL 132 N 0.96 2.07 0.33 2.92 -7.23 -0.30 -0.88 120.40 118.27 2a3x s VAL 132 Ca 0.03 -1.90 0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2a3x s VAL 132 Cb -0.14 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 2a3x s VAL 132 CO 0.03 -0.16 -0.01 -0.76 -0.31 0.00 0.00 175.10 173.88 2a3x s LEU 133 N -2.52 2.95 0.00 1.32 1.02 -0.02 -2.33 118.68 119.10 2a3x s LEU 133 Ca 0.16 -0.99 0.00 0.00 0.02 0.00 0.00 54.13 53.32 2a3x s LEU 133 Cb -0.08 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.81 2a3x s LEU 133 CO 0.08 -0.20 0.00 0.61 0.02 0.00 0.00 176.35 176.85 2a3x n GLY 134 N -0.92 1.52 3.18 -3.19 0.00 -1.26 -2.68 105.19 101.85 2a3x n GLY 134 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 2a3x n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a3x s GLN 135 N 0.00 0.97 -0.14 1.61 -1.52 -1.26 -2.36 119.66 116.95 2a3x s GLN 135 Ca 0.00 -1.39 0.02 0.00 -1.95 0.00 0.00 55.36 52.04 2a3x s GLN 135 Cb 0.00 0.27 0.01 0.00 -0.22 0.00 0.00 33.01 33.07 2a3x s GLN 135 CO 0.00 -0.29 -0.22 -2.00 -0.25 0.00 0.00 175.29 172.53 2a3x s GLU 136 N -4.03 3.02 0.08 2.91 -6.30 -1.26 -4.61 118.70 108.51 2a3x s GLU 136 Ca 0.23 -0.85 -0.22 0.00 -2.50 0.00 0.00 54.97 51.63 2a3x s GLU 136 Cb 0.07 -2.45 -0.07 0.00 0.00 0.00 0.00 34.13 31.68 2a3x s GLU 136 CO 0.02 -0.03 0.64 -0.65 0.02 0.00 0.00 175.26 175.26 2a3x s GLN 137 N 0.85 4.34 0.00 4.30 -0.21 -1.26 -4.04 119.66 123.64 2a3x s GLN 137 Ca -0.06 0.87 0.00 0.00 0.02 0.00 0.00 55.36 56.19 2a3x s GLN 137 Cb -0.15 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.58 2a3x s GLN 137 CO -0.03 0.54 0.55 -0.25 -2.12 0.00 0.00 175.29 173.98 2a3x n ASP 138 N 1.99 1.08 -1.12 5.90 9.92 -1.02 -4.62 116.55 128.68 2a3x n ASP 138 Ca -0.08 -1.18 -0.01 0.00 -0.53 0.00 0.00 54.79 52.99 2a3x n ASP 138 Cb 0.50 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.98 2a3x n ASP 138 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2a3x n SER 139 N -0.09 -0.06 -4.57 -2.24 3.41 -1.18 -4.94 113.62 103.96 2a3x n SER 139 Ca 0.00 -1.12 -0.40 0.00 -0.26 0.00 0.00 58.87 57.09 2a3x n SER 139 Cb 0.08 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.30 2.54 0.00 7.33 5.04 -1.26 -3.83 117.35 123.87 2a3x s TYR 140 Ca 0.02 -0.93 0.00 0.00 -2.44 0.00 0.00 57.07 53.72 2a3x s TYR 140 Cb 0.00 -4.66 0.00 0.00 0.35 0.00 0.00 41.96 37.65 2a3x s TYR 140 CO 0.01 -1.87 0.00 0.41 -1.34 0.00 0.00 175.55 172.76 2a3x n GLY 141 N 6.45 1.42 0.00 8.97 0.00 -1.26 -5.01 105.19 115.75 2a3x n GLY 141 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2a3x n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3x n GLY 142 N -2.00 5.34 3.30 -0.02 0.00 -1.25 -5.01 105.19 105.55 2a3x n GLY 142 Ca 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.42 -2.63 1.61 4.76 -1.26 -2.43 118.16 116.79 2a3x n LYS 143 Ca 0.00 1.20 -0.30 0.00 -2.87 0.00 0.00 58.31 56.34 2a3x n LYS 143 Cb 0.00 -4.79 -0.02 0.00 -1.84 0.00 0.00 35.03 28.38 2a3x n LYS 143 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2a3x s PHE 144 N -3.06 3.51 -0.08 2.13 0.08 -1.26 -2.73 117.98 116.58 2a3x s PHE 144 Ca 0.07 1.06 0.03 0.00 0.12 0.00 0.00 56.93 58.20 2a3x s PHE 144 Cb -0.02 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.97 2a3x s PHE 144 CO 0.79 -0.25 -0.17 0.34 -0.10 0.00 0.00 175.22 175.84 2a3x s ASP 145 N -3.52 2.25 0.32 1.36 2.15 -1.26 -5.03 116.67 112.94 2a3x s ASP 145 Ca 0.51 -0.39 0.16 0.00 0.43 0.00 0.00 52.55 53.27 2a3x s ASP 145 Cb -0.10 -1.02 0.40 0.00 -0.30 0.00 0.00 42.92 41.90 2a3x s ASP 145 CO 0.38 0.08 1.60 -0.09 -0.17 0.00 0.00 175.17 176.97 2a3x h ARG 146 N 6.84 0.00 0.00 4.34 2.43 -1.93 -1.91 114.38 124.15 2a3x h ARG 146 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2a3x h ARG 146 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2a3x h ARG 146 CO 0.47 0.48 -0.08 -1.13 -1.51 0.00 0.00 179.97 178.20 2a3x n SER 147 N -3.42 0.56 -0.00 -3.80 3.41 -1.26 -3.52 113.62 105.59 2a3x n SER 147 Ca 0.00 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 2a3x n SER 147 Cb 0.62 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 2a3x n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3x n GLN 148 N -2.00 1.28 -1.74 4.33 6.02 -1.01 -4.58 117.38 119.68 2a3x n GLN 148 Ca 0.06 -0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.65 2a3x n GLN 148 Cb 0.40 -1.32 0.02 0.00 1.02 0.00 0.00 30.24 30.37 2a3x n GLN 148 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2a3x n SER 149 N -1.40 3.00 -4.64 1.08 3.41 -0.75 -2.64 113.62 111.67 2a3x n SER 149 Ca 0.03 1.09 -0.37 0.00 -0.26 0.00 0.00 58.87 59.36 2a3x n SER 149 Cb 0.27 -1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 62.55 2a3x n SER 149 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2a3x s PHE 150 N -1.21 3.30 -0.13 7.33 5.36 -1.00 -4.79 117.98 126.84 2a3x s PHE 150 Ca 0.63 0.26 -0.00 0.00 -0.96 0.00 0.00 56.93 56.86 2a3x s PHE 150 Cb -0.46 -2.34 -0.01 0.00 -0.34 0.00 0.00 43.02 39.86 2a3x s PHE 150 CO 0.56 -0.01 -0.13 0.14 -1.46 0.00 0.00 175.22 174.32 2a3x s VAL 151 N 1.30 3.06 -3.13 3.12 -7.23 -1.26 -4.74 120.40 111.52 2a3x s VAL 151 Ca 0.09 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2a3x s VAL 151 Cb -0.14 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2a3x s VAL 151 CO 0.07 0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 2a3x n GLY 152 N 3.55 -0.07 2.89 2.32 0.00 -0.27 -4.59 105.19 109.02 2a3x n GLY 152 Ca -0.18 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 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 1.13 -0.08 1.61 2.02 0.97 -0.83 118.70 121.52 2a3x s GLU 153 Ca 0.00 -0.15 0.03 0.00 0.02 0.00 0.00 54.97 54.87 2a3x s GLU 153 Cb 0.00 -1.20 0.01 0.00 0.10 0.00 0.00 34.13 33.04 2a3x s GLU 153 CO 0.00 -0.18 -0.18 0.42 0.02 0.00 0.00 175.26 175.34 2a3x s ILE 154 N 1.38 1.61 0.30 -1.63 1.01 -0.61 -0.13 121.20 123.12 2a3x s ILE 154 Ca -0.03 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 2a3x s ILE 154 Cb -0.13 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 2a3x s ILE 154 CO -0.03 0.46 0.46 -0.83 0.00 0.00 0.00 174.94 175.00 2a3x s GLY 155 N 0.49 1.08 -1.45 6.18 0.00 -0.88 -0.51 107.32 112.23 2a3x s GLY 155 Ca -0.17 -1.26 -0.04 0.00 0.00 0.00 0.00 44.72 43.25 2a3x s GLY 155 CO 0.06 -0.86 0.57 1.22 0.00 0.00 0.00 173.10 174.10 2a3x n ASP 156 N -0.94 -1.34 -4.70 1.64 8.00 -1.26 -0.34 116.55 117.61 2a3x n ASP 156 Ca -0.00 -0.96 -0.42 0.00 0.71 0.00 0.00 54.79 54.12 2a3x n ASP 156 Cb 0.62 -3.25 -0.03 0.00 -0.02 0.00 0.00 41.12 38.44 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 -7.00 4.32 0.05 0.64 1.98 -1.26 -3.99 118.68 113.43 2a3x s LEU 157 Ca 0.18 1.62 0.01 0.00 -2.89 0.00 0.00 54.13 53.05 2a3x s LEU 157 Cb -0.10 -3.56 -0.03 0.00 0.66 0.00 0.00 46.19 43.16 2a3x s LEU 157 CO 0.88 -0.34 -0.05 -0.31 -1.89 0.00 0.00 176.35 174.63 2a3x s TYR 158 N 1.42 0.60 -0.10 5.38 1.51 0.15 -2.38 117.35 123.93 2a3x s TYR 158 Ca 0.51 -0.76 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2a3x s TYR 158 Cb -0.20 -0.38 0.05 0.00 -0.11 0.00 0.00 41.96 41.31 2a3x s TYR 158 CO 0.24 -0.20 0.24 1.41 -1.11 0.00 0.00 175.55 176.14 2a3x s MET 159 N -2.75 0.20 0.22 -0.62 1.75 -0.02 -1.20 119.30 116.88 2a3x s MET 159 Ca -0.01 0.54 0.10 0.00 -1.25 0.00 0.00 55.69 55.06 2a3x s MET 159 Cb -0.01 -0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.49 2a3x s MET 159 CO -0.04 -0.17 -0.09 -1.58 -0.65 0.00 0.00 175.02 172.49 2a3x s TRP 160 N 1.33 2.60 -0.37 4.11 0.51 -0.33 -2.24 118.94 124.54 2a3x s TRP 160 Ca -0.09 -0.24 0.06 0.00 -2.12 0.00 0.00 56.10 53.71 2a3x s TRP 160 Cb -0.11 -1.22 0.56 0.00 -0.81 0.00 0.00 33.47 31.90 2a3x s TRP 160 CO -0.08 0.57 1.64 -0.40 -0.51 0.00 0.00 176.95 178.16 2a3x n ASP 161 N -0.28 3.96 -4.01 2.95 5.75 -1.26 -1.87 116.55 121.79 2a3x n ASP 161 Ca -0.09 -3.08 -0.08 0.00 -0.01 0.00 0.00 54.79 51.52 2a3x n ASP 161 Cb 0.57 -0.73 -0.10 0.00 -1.03 0.00 0.00 41.12 39.83 2a3x n ASP 161 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2a3x s SER 162 N -0.73 0.33 -0.11 -1.12 0.15 -1.23 -4.41 113.70 106.57 2a3x s SER 162 Ca 0.44 -0.73 -0.30 0.00 0.70 0.00 0.00 55.95 56.06 2a3x s SER 162 Cb 0.36 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 2a3x s SER 162 CO 0.10 -0.50 1.22 -0.69 1.20 0.00 0.00 173.24 174.57 2a3x s VAL 163 N -2.91 4.29 0.01 4.45 1.01 -1.26 -2.63 120.40 123.37 2a3x s VAL 163 Ca -0.02 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.28 2a3x s VAL 163 Cb 0.01 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2a3x s VAL 163 CO -0.06 -0.07 0.84 -0.76 0.00 0.00 0.00 175.10 175.05 2a3x s LEU 164 N 2.84 4.40 0.81 3.92 1.02 -1.26 -5.03 118.68 125.37 2a3x s LEU 164 Ca 0.55 1.50 -0.13 0.00 0.02 0.00 0.00 54.13 56.06 2a3x s LEU 164 Cb -0.23 -3.35 0.08 0.00 0.02 0.00 0.00 46.19 42.71 2a3x s LEU 164 CO 0.18 -0.11 1.15 -0.81 0.02 0.00 0.00 176.35 176.77 2a3x n PRO 165 N 3.38 0.18 -0.32 1.29 -0.04 -1.26 -4.76 135.00 133.47 2a3x n PRO 165 Ca 0.01 0.14 0.18 0.00 -0.04 0.00 0.00 63.50 63.79 2a3x n PRO 165 Cb 0.51 -2.39 0.36 0.00 -0.04 0.00 0.00 33.50 31.94 2a3x n PRO 165 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2a3x h PRO 166 N -0.88 0.13 0.26 0.54 0.13 -2.00 -1.88 132.00 128.30 2a3x h PRO 166 Ca -0.46 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2a3x h PRO 166 Cb 1.30 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 2a3x h PRO 166 CO 0.45 0.09 -0.44 0.93 -0.23 0.00 0.00 178.00 178.80 2a3x h GLU 167 N 0.13 -0.75 -0.07 0.86 3.07 -2.00 -2.42 114.58 113.41 2a3x h GLU 167 Ca 0.64 0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.56 2a3x h GLU 167 Cb 1.41 0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.48 2a3x h GLU 167 CO -0.74 -0.50 0.05 -0.91 -1.40 0.00 0.00 179.01 175.51 2a3x h ASN 168 N -0.77 0.05 -0.36 1.42 4.21 -1.70 0.18 115.58 118.62 2a3x h ASN 168 Ca -0.01 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 2a3x h ASN 168 Cb 0.74 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.91 2a3x h ASN 168 CO -0.17 0.04 0.15 0.40 -1.29 0.00 0.00 177.43 176.56 2a3x h ILE 169 N 0.06 1.18 -0.09 2.81 1.08 -1.12 -1.76 117.51 119.67 2a3x h ILE 169 Ca 0.03 -0.55 -0.11 0.00 -0.39 0.00 0.00 64.86 63.84 2a3x h ILE 169 Cb 0.03 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 2a3x h ILE 169 CO -0.00 0.20 -0.42 -0.07 -0.69 0.00 0.00 178.15 177.16 2a3x h LEU 170 N 0.43 0.21 -1.22 1.44 3.38 -0.68 -1.04 115.31 117.83 2a3x h LEU 170 Ca 0.12 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2a3x h LEU 170 Cb 0.17 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2a3x h LEU 170 CO -0.01 0.61 0.53 0.28 0.09 0.00 0.00 178.44 179.95 2a3x h SER 171 N 0.17 0.90 -0.21 -0.43 0.02 -0.78 -1.22 113.55 112.00 2a3x h SER 171 Ca 0.01 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2a3x h SER 171 Cb 0.82 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2a3x h SER 171 CO 0.06 0.64 -0.52 0.00 -1.14 0.00 0.00 176.83 175.87 2a3x h ALA 172 N 1.51 0.35 -0.51 3.77 0.00 -0.73 -2.37 119.26 121.27 2a3x h ALA 172 Ca 0.30 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2a3x h ALA 172 Cb -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2a3x h ALA 172 CO -0.07 0.54 0.34 -0.92 0.00 0.00 0.00 179.25 179.14 2a3x h TYR 173 N 0.44 0.64 -0.22 0.00 3.20 -0.70 -2.85 116.97 117.48 2a3x h TYR 173 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2a3x h TYR 173 Cb 1.14 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2a3x h TYR 173 CO 0.09 0.40 0.00 1.04 -1.64 0.00 0.00 178.16 178.05 2a3x n GLN 174 N -4.73 2.28 -0.95 1.82 6.02 -0.51 -4.89 117.38 116.43 2a3x n GLN 174 Ca 0.03 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.89 2a3x n GLN 174 Cb 0.02 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.61 2a3x n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a3x n GLY 175 N 0.37 0.43 2.32 1.08 0.00 -1.07 -4.98 105.19 103.34 2a3x n GLY 175 Ca 0.10 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 2a3x n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a3x n THR 176 N -2.95 0.34 -1.78 2.61 -2.24 -0.90 -5.06 114.28 104.31 2a3x n THR 176 Ca 0.00 -4.38 -0.30 0.00 -2.27 0.00 0.00 64.05 57.10 2a3x n THR 176 Cb 0.00 -1.99 0.06 0.00 -2.10 0.00 0.00 70.33 66.30 2a3x n THR 176 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2a3x s PRO 177 N -1.48 2.68 0.60 -0.78 0.02 -1.21 -4.39 135.00 130.44 2a3x s PRO 177 Ca 0.36 0.54 -0.13 0.00 0.02 0.00 0.00 61.00 61.79 2a3x s PRO 177 Cb 0.14 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 2a3x s PRO 177 CO -0.09 -1.18 1.02 -0.51 -0.33 0.00 0.00 177.00 175.91 2a3x s LEU 178 N -5.48 3.37 -0.00 -5.54 1.02 -1.26 -4.96 118.68 105.83 2a3x s LEU 178 Ca 0.59 1.55 -0.30 0.00 0.02 0.00 0.00 54.13 55.99 2a3x s LEU 178 Cb -0.12 -4.49 -0.07 0.00 0.02 0.00 0.00 46.19 41.53 2a3x s LEU 178 CO 0.53 -0.92 1.69 -2.84 0.02 0.00 0.00 176.35 174.83 2a3x s PRO 179 N -4.68 4.18 0.08 1.29 0.02 -1.26 -5.00 135.00 129.63 2a3x s PRO 179 Ca 0.58 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.89 2a3x s PRO 179 Cb -0.12 -3.89 -0.04 0.00 0.02 0.00 0.00 34.50 30.48 2a3x s PRO 179 CO 0.45 -0.82 0.18 0.00 -0.33 0.00 0.00 177.00 176.48 2a3x s ALA 180 N 3.64 3.87 -0.07 -1.55 0.00 -1.26 -5.03 121.76 121.36 2a3x s ALA 180 Ca 0.75 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.89 2a3x s ALA 180 Cb -0.36 -1.70 -0.13 0.00 0.00 0.00 0.00 23.12 20.92 2a3x s ALA 180 CO 0.32 0.77 0.09 0.27 0.00 0.00 0.00 175.76 177.22 2a3x n ASN 181 N 0.24 2.59 -0.06 0.00 0.23 -1.20 -4.62 115.26 112.44 2a3x n ASN 181 Ca -0.06 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.94 2a3x n ASN 181 Cb 0.52 0.96 -0.03 0.00 -2.08 0.00 0.00 39.78 39.15 2a3x n ASN 181 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2a3x h ILE 182 N 0.00 0.42 -3.29 1.53 2.04 -1.79 -3.46 117.51 112.96 2a3x h ILE 182 Ca -0.19 -1.33 -0.48 0.00 1.00 0.00 0.00 64.86 63.86 2a3x h ILE 182 Cb 1.27 0.81 -0.36 0.00 -0.74 0.00 0.00 36.82 37.79 2a3x h ILE 182 CO 0.01 0.14 -0.79 -0.76 0.00 0.00 0.00 178.15 176.75 2a3x s LEU 183 N -8.41 1.16 -0.17 1.44 1.02 -1.03 -4.46 118.68 108.23 2a3x s LEU 183 Ca -0.07 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 53.87 2a3x s LEU 183 Cb -0.00 -0.67 0.02 0.00 0.02 0.00 0.00 46.19 45.56 2a3x s LEU 183 CO 0.20 -0.10 -0.15 -0.62 0.02 0.00 0.00 176.35 175.70 2a3x s ASP 184 N 1.43 2.92 0.53 2.29 2.15 -1.26 -0.84 116.67 123.89 2a3x s ASP 184 Ca -0.02 -0.59 0.34 0.00 0.43 0.00 0.00 52.55 52.71 2a3x s ASP 184 Cb -0.13 -1.28 1.47 0.00 -0.30 0.00 0.00 42.92 42.67 2a3x s ASP 184 CO -0.04 -0.05 2.00 -0.25 -0.17 0.00 0.00 175.17 176.66 2a3x h TRP 185 N 8.01 0.00 -0.00 -5.34 2.91 -1.85 0.16 115.95 119.83 2a3x h TRP 185 Ca -0.39 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.63 2a3x h TRP 185 Cb 1.13 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.78 2a3x h TRP 185 CO 0.48 0.00 -0.25 1.04 -1.03 0.00 0.00 178.44 178.68 2a3x n GLN 186 N -2.98 0.58 -2.71 2.65 6.02 -1.26 -2.31 117.38 117.38 2a3x n GLN 186 Ca 0.00 -0.30 -0.08 0.00 -0.01 0.00 0.00 57.00 56.62 2a3x n GLN 186 Cb 0.26 -1.49 0.10 0.00 1.02 0.00 0.00 30.24 30.13 2a3x n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3x n ALA 187 N -0.95 1.34 -2.69 -1.58 0.00 -0.71 -3.23 120.51 112.68 2a3x n ALA 187 Ca 0.11 -1.58 -0.39 0.00 0.00 0.00 0.00 53.44 51.58 2a3x n ALA 187 Cb 0.32 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.09 4.22 -0.17 0.00 2.96 0.47 -4.16 118.68 118.91 2a3x s LEU 188 Ca 0.23 0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 54.73 2a3x s LEU 188 Cb 0.40 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 2a3x s LEU 188 CO -0.07 -0.09 0.51 0.21 -1.32 0.00 0.00 176.35 175.60 2a3x s ASN 189 N 0.87 6.61 0.04 3.68 3.84 -1.26 -2.91 114.94 125.81 2a3x s ASN 189 Ca 0.26 0.74 -0.12 0.00 0.21 0.00 0.00 52.86 53.95 2a3x s ASN 189 Cb -0.15 -2.29 0.01 0.00 -0.55 0.00 0.00 41.25 38.26 2a3x s ASN 189 CO 0.10 -0.12 0.25 -0.72 -2.79 0.00 0.00 177.10 173.82 2a3x s TYR 190 N 1.30 -0.03 -0.14 0.43 1.13 -1.26 -2.35 117.35 116.43 2a3x s TYR 190 Ca 0.25 -0.13 -0.00 0.00 -1.41 0.00 0.00 57.07 55.78 2a3x s TYR 190 Cb -0.15 0.03 0.03 0.00 -1.10 0.00 0.00 41.96 40.77 2a3x s TYR 190 CO 0.10 -0.46 -0.07 -1.21 -2.51 0.00 0.00 175.55 171.40 2a3x s GLU 191 N -2.46 1.58 -0.07 -3.49 2.02 -0.07 -4.98 118.70 111.24 2a3x s GLU 191 Ca -0.06 -0.41 -0.28 0.00 0.02 0.00 0.00 54.97 54.25 2a3x s GLU 191 Cb -0.01 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 2a3x s GLU 191 CO -0.03 -0.33 0.90 0.42 0.02 0.00 0.00 175.26 176.24 2a3x s ILE 192 N 1.65 4.89 -0.07 -1.63 1.01 -1.26 -1.43 121.20 124.36 2a3x s ILE 192 Ca 0.03 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.56 2a3x s ILE 192 Cb -0.14 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.12 2a3x s ILE 192 CO -0.08 0.12 -0.11 -0.13 0.00 0.00 0.00 174.94 174.74 2a3x s ARG 193 N 1.38 1.58 3.55 2.79 0.52 -0.86 -5.02 118.95 122.89 2a3x s ARG 193 Ca 0.46 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 2a3x s ARG 193 Cb -0.19 -1.36 0.00 0.00 0.52 0.00 0.00 34.95 33.92 2a3x s ARG 193 CO 0.21 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.92 2a3x n GLY 194 N 3.96 0.14 3.40 -3.53 0.00 -1.26 -1.77 105.19 106.13 2a3x n GLY 194 Ca -0.22 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.39 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 2.96 -0.25 1.61 5.04 -1.26 -4.95 117.35 120.50 2a3x s TYR 195 Ca 0.00 -0.80 -0.11 0.00 -2.44 0.00 0.00 57.07 53.72 2a3x s TYR 195 Cb 0.00 -3.95 0.10 0.00 0.35 0.00 0.00 41.96 38.46 2a3x s TYR 195 CO 0.00 -1.28 0.57 0.54 -1.34 0.00 0.00 175.55 174.04 2a3x s VAL 196 N 2.87 -0.50 0.21 3.14 0.11 -1.26 -4.53 120.40 120.43 2a3x s VAL 196 Ca 0.14 0.05 0.07 0.00 -2.93 0.00 0.00 61.98 59.31 2a3x s VAL 196 Cb -0.22 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2a3x s VAL 196 CO 0.08 0.02 0.10 -0.63 -3.33 0.00 0.00 175.10 171.35 2a3x s ILE 197 N 2.27 4.14 -0.21 7.04 -1.09 -0.88 -4.91 121.20 127.57 2a3x s ILE 197 Ca -0.07 -1.39 -0.06 0.00 -2.23 0.00 0.00 60.65 56.90 2a3x s ILE 197 Cb -0.10 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2a3x s ILE 197 CO -0.17 -0.23 0.02 -0.63 -1.23 0.00 0.00 174.94 172.71 2a3x s ILE 198 N -1.96 4.12 0.10 2.92 1.01 -1.26 -0.35 121.20 125.78 2a3x s ILE 198 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 2a3x s ILE 198 Cb -0.09 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2a3x s ILE 198 CO 0.22 0.41 0.01 -0.54 0.00 0.00 0.00 174.94 175.04 2a3x s LYS 199 N 1.09 0.80 0.33 2.79 -0.14 -1.05 -4.95 119.74 118.61 2a3x s LYS 199 Ca 0.03 -1.35 -0.29 0.00 -1.36 0.00 0.00 55.97 53.01 2a3x s LYS 199 Cb -0.14 0.17 -0.10 0.00 -1.68 0.00 0.00 37.83 36.08 2a3x s LYS 199 CO 0.02 -0.18 1.39 -1.25 -0.76 0.00 0.00 175.35 174.57 2a3x s PRO 200 N -3.97 4.26 -0.38 -1.68 0.04 -1.26 -0.43 135.00 131.58 2a3x s PRO 200 Ca 0.16 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 2a3x s PRO 200 Cb 0.07 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.58 2a3x s PRO 200 CO -0.03 -0.33 1.28 -1.17 0.04 0.00 0.00 177.00 176.78 2a3x s LEU 201 N -1.66 3.74 0.00 -3.56 2.96 -0.14 -4.73 118.68 115.29 2a3x s LEU 201 Ca 0.52 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 2a3x s LEU 201 Cb -0.42 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.73 2a3x s LEU 201 CO 0.55 -1.21 0.56 1.33 -1.32 0.00 0.00 176.35 176.26 2a3x n VAL 202 N 6.59 0.14 -0.78 1.68 0.24 -1.26 -4.61 118.33 120.33 2a3x n VAL 202 Ca 0.14 -0.56 0.08 0.00 -2.04 0.00 0.00 64.34 61.96 2a3x n VAL 202 Cb 0.48 0.94 0.36 0.00 -1.47 0.00 0.00 33.84 34.15 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 -0.07 1.64 -0.54 6.34 4.27 -1.26 -5.29 117.44 122.53 2a3x n TRP 203 Ca 0.00 -0.69 0.00 0.00 -3.89 0.00 0.00 57.50 52.92 2a3x n TRP 203 Cb 0.04 -0.36 0.00 0.00 -1.36 0.00 0.00 31.31 29.63 2a3x n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68