#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 0.74 -0.19 1.59 2.01 -1.21 -4.85 115.64 113.73 2a3x s THR 2 Ca 0.00 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.04 2a3x s THR 2 Cb 0.00 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.83 2a3x s THR 2 CO 0.00 0.01 0.98 -0.62 -0.69 0.00 0.00 174.62 174.30 2a3x s ASP 3 N -0.75 7.09 -0.22 3.53 2.15 -1.24 -2.80 116.67 124.44 2a3x s ASP 3 Ca -0.00 1.36 0.13 0.00 0.43 0.00 0.00 52.55 54.47 2a3x s ASP 3 Cb -0.06 -2.52 0.46 0.00 -0.30 0.00 0.00 42.92 40.50 2a3x s ASP 3 CO 0.00 -0.56 1.36 0.18 -0.17 0.00 0.00 175.17 175.98 2a3x n LEU 4 N 5.79 3.52 -4.68 -1.34 4.32 -1.00 -5.01 117.00 118.60 2a3x n LEU 4 Ca 0.09 -3.48 -0.42 0.00 -0.02 0.00 0.00 56.01 52.19 2a3x n LEU 4 Cb 0.47 -0.56 -0.03 0.00 -1.62 0.00 0.00 43.42 41.69 2a3x n LEU 4 CO 0.51 1.03 1.31 -0.44 -1.22 0.00 0.00 177.39 178.58 2a3x s SER 5 N -2.55 6.65 -0.78 -1.43 0.01 -1.26 -1.96 113.70 112.37 2a3x s SER 5 Ca 0.41 2.40 0.00 0.00 1.31 0.00 0.00 55.95 60.07 2a3x s SER 5 Cb 0.36 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2a3x s SER 5 CO 0.02 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2a3x n GLY 6 N 3.97 0.57 3.07 3.44 0.00 -1.26 -5.02 105.19 109.96 2a3x n GLY 6 Ca 0.16 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 2a3x n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3x s LYS 7 N -3.45 0.56 0.09 1.61 1.02 -0.83 -1.41 119.74 117.33 2a3x s LYS 7 Ca 0.00 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.22 2a3x s LYS 7 Cb 0.00 -0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 2a3x s LYS 7 CO 0.00 0.04 -0.13 0.14 -0.92 0.00 0.00 175.35 174.48 2a3x s VAL 8 N -1.61 1.09 -0.50 3.17 -7.23 0.57 -4.60 120.40 111.29 2a3x s VAL 8 Ca -0.08 -1.46 -0.25 0.00 -1.81 0.00 0.00 61.98 58.38 2a3x s VAL 8 Cb -0.08 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.68 2a3x s VAL 8 CO -0.00 -0.35 0.97 -0.36 -0.31 0.00 0.00 175.10 175.05 2a3x s PHE 9 N -1.72 2.84 -0.25 2.82 0.08 0.82 -2.63 117.98 119.94 2a3x s PHE 9 Ca 0.02 0.27 -0.13 0.00 0.12 0.00 0.00 56.93 57.20 2a3x s PHE 9 Cb -0.07 -4.08 -0.04 0.00 -0.57 0.00 0.00 43.02 38.25 2a3x s PHE 9 CO 0.02 -1.24 0.26 0.54 -0.10 0.00 0.00 175.22 174.70 2a3x s VAL 10 N 3.97 5.27 -0.54 -0.44 0.11 -0.79 -0.40 120.40 127.58 2a3x s VAL 10 Ca 0.36 0.37 -0.17 0.00 -2.93 0.00 0.00 61.98 59.61 2a3x s VAL 10 Cb -0.10 -3.60 0.11 0.00 -1.53 0.00 0.00 36.38 31.26 2a3x s VAL 10 CO 0.24 0.26 0.54 -0.36 -3.33 0.00 0.00 175.10 172.45 2a3x s PHE 11 N 1.51 3.18 -1.86 1.54 0.40 0.69 -2.68 117.98 120.76 2a3x s PHE 11 Ca 0.11 -1.10 0.27 0.00 -0.60 0.00 0.00 56.93 55.61 2a3x s PHE 11 Cb -0.15 -3.72 0.90 0.00 0.51 0.00 0.00 43.02 40.56 2a3x s PHE 11 CO 0.08 -1.04 1.65 -0.35 0.70 0.00 0.00 175.22 176.26 2a3x n PRO 12 N 5.54 0.95 -3.79 0.24 -0.05 -1.26 -0.54 135.00 136.09 2a3x n PRO 12 Ca -0.12 -0.52 -0.13 0.00 -0.05 0.00 0.00 63.50 62.68 2a3x n PRO 12 Cb 0.42 -1.49 -0.10 0.00 -0.05 0.00 0.00 33.50 32.28 2a3x n PRO 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 2a3x s ARG 13 N -2.41 0.54 0.09 0.54 1.70 -1.26 -4.97 118.95 113.18 2a3x s ARG 13 Ca 0.28 -0.06 -0.31 0.00 -0.47 0.00 0.00 55.73 55.16 2a3x s ARG 13 Cb 0.20 0.24 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 2a3x s ARG 13 CO 0.48 -0.13 1.49 -2.00 -1.08 0.00 0.00 175.30 174.06 2a3x s GLU 14 N -0.92 4.26 0.37 3.89 2.12 -1.26 -4.81 118.70 122.35 2a3x s GLU 14 Ca -0.10 2.17 -0.05 0.00 0.36 0.00 0.00 54.97 57.36 2a3x s GLU 14 Cb -0.05 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.97 2a3x s GLU 14 CO 0.03 -0.58 0.57 -1.54 -0.54 0.00 0.00 175.26 173.20 2a3x s SER 15 N 1.61 0.82 0.00 -1.70 1.04 -1.26 -5.04 113.70 109.16 2a3x s SER 15 Ca 0.68 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2a3x s SER 15 Cb -0.38 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2a3x s SER 15 CO 0.30 -1.43 0.37 0.55 0.98 0.00 0.00 173.24 174.01 2a3x n VAL 16 N -0.58 0.00 -0.02 5.02 3.14 -1.26 -4.52 118.33 120.10 2a3x n VAL 16 Ca -0.01 -0.42 -0.04 0.00 -2.96 0.00 0.00 64.34 60.91 2a3x n VAL 16 Cb 0.61 1.15 -0.02 0.00 -1.06 0.00 0.00 33.84 34.52 2a3x n VAL 16 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2a3x n THR 17 N -0.09 0.24 -1.83 1.55 -2.24 -1.26 -4.73 114.28 105.92 2a3x n THR 17 Ca 0.00 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2a3x n THR 17 Cb 0.04 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.11 2a3x n THR 17 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2a3x s ASP 18 N -4.93 6.23 0.25 3.42 1.01 -1.26 -4.76 116.67 116.64 2a3x s ASP 18 Ca -0.06 2.14 -0.14 0.00 0.71 0.00 0.00 52.55 55.20 2a3x s ASP 18 Cb 0.02 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 2a3x s ASP 18 CO 0.09 -1.30 0.51 -1.38 0.21 0.00 0.00 175.17 173.30 2a3x s HIS 19 N 5.48 0.28 -0.16 4.23 -3.43 -0.98 -4.56 115.29 116.16 2a3x s HIS 19 Ca 0.84 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 2a3x s HIS 19 Cb -0.34 0.27 0.03 0.00 -1.43 0.00 0.00 32.58 31.11 2a3x s HIS 19 CO 0.35 -1.03 -0.12 0.08 -2.00 0.00 0.00 174.74 172.02 2a3x s VAL 20 N -4.00 1.47 -0.01 -5.38 1.01 -0.13 -2.04 120.40 111.32 2a3x s VAL 20 Ca 0.21 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 2a3x s VAL 20 Cb -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2a3x s VAL 20 CO 0.09 0.36 0.73 0.20 0.00 0.00 0.00 175.10 176.47 2a3x s ASN 21 N 1.51 7.10 -0.22 3.32 0.01 0.22 -0.21 114.94 126.68 2a3x s ASN 21 Ca 0.03 1.31 -0.02 0.00 -0.71 0.00 0.00 52.86 53.48 2a3x s ASN 21 Cb -0.14 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.10 2a3x s ASN 21 CO -0.10 -0.05 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.59 2a3x s LEU 22 N 0.38 2.79 -0.25 0.60 1.02 0.10 -0.66 118.68 122.65 2a3x s LEU 22 Ca 0.38 -0.64 -0.05 0.00 0.02 0.00 0.00 54.13 53.84 2a3x s LEU 22 Cb -0.19 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.38 2a3x s LEU 22 CO 0.20 -0.05 0.00 -0.63 0.02 0.00 0.00 176.35 175.89 2a3x s ILE 23 N 1.37 3.56 0.07 -0.59 1.01 -1.14 -3.55 121.20 121.93 2a3x s ILE 23 Ca 0.03 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.11 2a3x s ILE 23 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2a3x s ILE 23 CO -0.06 0.27 -0.05 0.28 0.00 0.00 0.00 174.94 175.37 2a3x s THR 24 N 1.47 3.72 -0.55 2.92 -1.32 -1.26 -4.59 115.64 116.02 2a3x s THR 24 Ca 0.04 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2a3x s THR 24 Cb -0.16 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 2a3x s THR 24 CO -0.01 0.20 0.19 -0.81 -2.21 0.00 0.00 174.62 171.97 2a3x n PRO 25 N 0.89 0.26 -2.40 7.08 -0.04 -1.26 -4.80 135.00 134.73 2a3x n PRO 25 Ca -0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.90 2a3x n PRO 25 Cb 0.52 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.72 2a3x n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2a3x s LEU 26 N 0.00 4.23 0.00 1.53 0.20 -1.26 -4.86 118.68 118.52 2a3x s LEU 26 Ca 0.00 1.79 0.00 0.00 0.69 0.00 0.00 54.13 56.61 2a3x s LEU 26 Cb 0.00 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 2a3x s LEU 26 CO 0.00 -0.71 0.14 1.21 -0.29 0.00 0.00 176.35 176.70 2a3x n GLU 27 N 6.08 0.73 -4.97 1.98 4.07 -1.26 -4.12 120.64 123.15 2a3x n GLU 27 Ca 0.13 -0.14 -0.31 0.00 -0.06 0.00 0.00 57.16 56.78 2a3x n GLU 27 Cb 0.45 -0.54 -0.14 0.00 -0.06 0.00 0.00 31.44 31.15 2a3x n GLU 27 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2a3x s LYS 28 N -0.14 2.07 0.34 5.31 -0.14 -1.26 -4.80 119.74 121.12 2a3x s LYS 28 Ca 0.00 -0.96 -0.28 0.00 -1.36 0.00 0.00 55.97 53.37 2a3x s LYS 28 Cb 0.00 -2.11 -0.12 0.00 -1.68 0.00 0.00 37.83 33.92 2a3x s LYS 28 CO 0.00 0.55 1.34 -2.30 -0.76 0.00 0.00 175.35 174.18 2a3x n PRO 29 N 2.02 2.22 -2.86 -1.68 -0.02 -1.26 -4.70 135.00 128.71 2a3x n PRO 29 Ca -0.16 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 2a3x n PRO 29 Cb 0.52 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.04 4.18 -0.17 2.45 2.96 -0.52 -4.91 118.68 121.62 2a3x s LEU 30 Ca 0.57 1.22 -0.16 0.00 -0.22 0.00 0.00 54.13 55.54 2a3x s LEU 30 Cb -0.56 -3.28 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 2a3x s LEU 30 CO 0.61 -0.41 -0.31 1.67 -1.32 0.00 0.00 176.35 176.59 2a3x n GLN 31 N 5.25 0.50 -4.31 1.98 7.27 -1.26 -2.77 117.38 124.04 2a3x n GLN 31 Ca 0.05 0.26 -0.29 0.00 0.07 0.00 0.00 57.00 57.10 2a3x n GLN 31 Cb 0.49 -1.45 -0.11 0.00 2.41 0.00 0.00 30.24 31.57 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 -5.82 3.92 0.04 1.69 0.01 -1.26 -3.13 114.94 110.39 2a3x s ASN 32 Ca -0.26 -0.58 -0.28 0.00 -0.71 0.00 0.00 52.86 51.03 2a3x s ASN 32 Cb 0.04 -0.56 0.09 0.00 0.41 0.00 0.00 41.25 41.23 2a3x s ASN 32 CO 0.38 0.16 0.87 0.72 -1.51 0.00 0.00 177.10 177.72 2a3x s PHE 33 N -1.28 -0.33 -0.03 2.20 -0.71 -1.16 -4.00 117.98 112.67 2a3x s PHE 33 Ca 0.19 0.15 -0.01 0.00 -1.04 0.00 0.00 56.93 56.23 2a3x s PHE 33 Cb -0.10 0.56 0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2a3x s PHE 33 CO 0.11 -0.62 0.07 0.99 -1.34 0.00 0.00 175.22 174.43 2a3x s THR 34 N -3.21 -0.05 -0.12 -4.49 2.01 -1.02 -1.86 115.64 106.91 2a3x s THR 34 Ca 0.06 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.27 2a3x s THR 34 Cb -0.01 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 2a3x s THR 34 CO -0.07 0.08 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.53 2a3x s LEU 35 N 1.04 2.40 -0.01 4.42 2.96 0.91 -0.43 118.68 129.98 2a3x s LEU 35 Ca -0.08 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2a3x s LEU 35 Cb -0.12 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2a3x s LEU 35 CO -0.04 0.16 0.01 0.00 -1.32 0.00 0.00 176.35 175.16 2a3x s PHE 37 N 0.27 0.02 0.03 0.00 -0.12 -0.39 0.41 117.98 118.20 2a3x s PHE 37 Ca -0.02 -0.55 0.08 0.00 -0.05 0.00 0.00 56.93 56.39 2a3x s PHE 37 Cb -0.03 0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 43.09 2a3x s PHE 37 CO -0.01 -1.26 -0.23 0.50 -0.05 0.00 0.00 175.22 174.17 2a3x s ARG 38 N -2.68 1.98 -0.11 1.99 3.52 0.87 -1.33 118.95 123.18 2a3x s ARG 38 Ca 0.16 -1.02 -0.10 0.00 -0.13 0.00 0.00 55.73 54.64 2a3x s ARG 38 Cb -0.04 -2.08 0.03 0.00 -1.56 0.00 0.00 34.95 31.29 2a3x s ARG 38 CO 0.08 0.53 0.29 0.00 -0.81 0.00 0.00 175.30 175.39 2a3x s ALA 39 N -0.82 -0.71 -0.16 6.12 0.00 -0.41 -0.30 121.76 125.48 2a3x s ALA 39 Ca 0.12 0.84 -0.05 0.00 0.00 0.00 0.00 51.96 52.87 2a3x s ALA 39 Cb -0.10 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.59 2a3x s ALA 39 CO 0.03 -0.14 0.10 -0.47 0.00 0.00 0.00 175.76 175.27 2a3x s TYR 40 N 0.23 0.14 -0.10 0.00 5.04 0.19 -0.41 117.35 122.44 2a3x s TYR 40 Ca -0.01 -0.22 -0.15 0.00 -2.44 0.00 0.00 57.07 54.25 2a3x s TYR 40 Cb -0.03 -0.65 0.03 0.00 0.35 0.00 0.00 41.96 41.67 2a3x s TYR 40 CO -0.00 -0.50 0.38 0.45 -1.34 0.00 0.00 175.55 174.54 2a3x s SER 41 N 2.16 -0.35 -0.36 4.32 0.15 -1.26 -0.97 113.70 117.39 2a3x s SER 41 Ca 0.03 0.55 0.08 0.00 0.70 0.00 0.00 55.95 57.31 2a3x s SER 41 Cb -0.16 0.62 0.71 0.00 -1.71 0.00 0.00 66.02 65.49 2a3x s SER 41 CO -0.09 -0.26 1.81 -0.90 1.20 0.00 0.00 173.24 175.01 2a3x n ASP 42 N 2.25 4.39 -4.73 5.45 5.68 -1.26 -4.64 116.55 123.69 2a3x n ASP 42 Ca -0.16 -3.36 -0.42 0.00 -0.50 0.00 0.00 54.79 50.35 2a3x n ASP 42 Cb 0.57 -0.76 -0.03 0.00 -1.14 0.00 0.00 41.12 39.75 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 -3.10 4.40 -0.15 -2.12 2.96 -1.26 -4.95 118.68 114.47 2a3x s LEU 43 Ca 0.55 2.23 0.17 0.00 -0.22 0.00 0.00 54.13 56.86 2a3x s LEU 43 Cb 0.45 -3.60 -0.25 0.00 0.50 0.00 0.00 46.19 43.30 2a3x s LEU 43 CO 0.12 -0.49 0.25 -0.24 -1.32 0.00 0.00 176.35 174.66 2a3x n SER 44 N 3.23 0.22 -4.53 3.68 2.88 -1.26 -4.98 113.62 112.87 2a3x n SER 44 Ca 0.07 0.11 -0.28 0.00 -1.33 0.00 0.00 58.87 57.44 2a3x n SER 44 Cb 0.44 0.78 0.13 0.00 -0.75 0.00 0.00 64.21 64.81 2a3x n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3x s ARG 45 N -2.57 1.39 0.35 -1.46 1.70 -1.26 -4.68 118.95 112.41 2a3x s ARG 45 Ca -0.08 -0.43 -0.28 0.00 -0.47 0.00 0.00 55.73 54.47 2a3x s ARG 45 Cb 0.07 -2.03 -0.10 0.00 -0.57 0.00 0.00 34.95 32.32 2a3x s ARG 45 CO 0.83 -1.84 1.36 0.00 -1.08 0.00 0.00 175.30 174.56 2a3x s ALA 46 N -3.56 3.49 0.16 7.88 0.00 -1.24 -4.88 121.76 123.60 2a3x s ALA 46 Ca 0.68 1.35 -0.12 0.00 0.00 0.00 0.00 51.96 53.86 2a3x s ALA 46 Cb -0.07 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.54 2a3x s ALA 46 CO 0.49 -0.78 0.35 1.52 0.00 0.00 0.00 175.76 177.34 2a3x s TYR 47 N -1.15 0.16 -0.15 0.00 1.13 -0.96 -4.37 117.35 112.00 2a3x s TYR 47 Ca 0.51 -0.52 -0.07 0.00 -1.41 0.00 0.00 57.07 55.58 2a3x s TYR 47 Cb -0.41 0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 2a3x s TYR 47 CO 0.55 -0.74 0.09 0.45 -2.51 0.00 0.00 175.55 173.39 2a3x s SER 48 N -2.91 5.92 -0.21 -0.18 0.15 -0.50 -1.60 113.70 114.36 2a3x s SER 48 Ca 0.12 0.24 -0.19 0.00 0.70 0.00 0.00 55.95 56.81 2a3x s SER 48 Cb 0.02 -1.95 -0.16 0.00 -1.71 0.00 0.00 66.02 62.22 2a3x s SER 48 CO -0.04 0.28 0.08 0.18 1.20 0.00 0.00 173.24 174.94 2a3x n LEU 49 N 2.86 1.87 -3.64 3.45 7.99 0.05 -4.29 117.00 125.30 2a3x n LEU 49 Ca -0.18 0.43 -0.22 0.00 -0.01 0.00 0.00 56.01 56.03 2a3x n LEU 49 Cb 0.53 -0.93 -0.17 0.00 -0.11 0.00 0.00 43.42 42.74 2a3x n LEU 49 CO 0.33 0.24 -0.32 0.12 -1.51 0.00 0.00 177.39 176.26 2a3x s PHE 50 N -2.38 0.05 -0.15 -1.77 2.19 -0.99 -4.40 117.98 110.53 2a3x s PHE 50 Ca -0.29 0.11 -0.04 0.00 0.33 0.00 0.00 56.93 57.04 2a3x s PHE 50 Cb 0.07 -0.52 -0.03 0.00 -1.31 0.00 0.00 43.02 41.23 2a3x s PHE 50 CO 0.54 -0.33 -0.01 0.45 1.83 0.00 0.00 175.22 177.70 2a3x s SER 51 N 2.18 5.04 -0.24 6.13 0.15 -1.09 -1.17 113.70 124.70 2a3x s SER 51 Ca 0.04 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.62 2a3x s SER 51 Cb -0.14 -1.77 0.08 0.00 -1.71 0.00 0.00 66.02 62.48 2a3x s SER 51 CO -0.06 0.20 0.07 -0.47 1.20 0.00 0.00 173.24 174.18 2a3x s TYR 52 N 0.17 1.08 0.04 3.44 6.14 -0.46 -2.36 117.35 125.40 2a3x s TYR 52 Ca 0.00 -1.08 0.06 0.00 0.64 0.00 0.00 57.07 56.70 2a3x s TYR 52 Cb -0.13 -1.18 -0.02 0.00 0.42 0.00 0.00 41.96 41.04 2a3x s TYR 52 CO 0.02 -0.71 -0.18 -0.80 0.64 0.00 0.00 175.55 174.52 2a3x s ASN 53 N 1.84 2.16 0.35 4.32 -0.87 -1.18 -2.48 114.94 119.08 2a3x s ASN 53 Ca 0.03 -0.49 0.06 0.00 -1.57 0.00 0.00 52.86 50.89 2a3x s ASN 53 Cb -0.17 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.25 40.82 2a3x s ASN 53 CO -0.17 0.12 0.01 0.42 -2.57 0.00 0.00 177.10 174.91 2a3x s THR 54 N -0.79 1.62 0.01 1.60 -4.23 -1.21 -0.71 115.64 111.91 2a3x s THR 54 Ca 0.05 -2.04 -0.31 0.00 -1.18 0.00 0.00 61.69 58.22 2a3x s THR 54 Cb -0.08 -2.79 -0.09 0.00 1.34 0.00 0.00 72.50 70.88 2a3x s THR 54 CO 0.01 -0.07 1.98 1.67 -0.54 0.00 0.00 174.62 177.67 2a3x n GLN 55 N -0.77 2.74 -0.53 3.99 7.27 -1.26 -1.57 117.38 127.25 2a3x n GLN 55 Ca -0.04 1.00 0.00 0.00 0.07 0.00 0.00 57.00 58.03 2a3x n GLN 55 Cb 0.66 -2.97 0.00 0.00 2.41 0.00 0.00 30.24 30.34 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 4.59 1.89 3.18 1.69 0.00 -1.26 -5.00 105.19 110.29 2a3x n GLY 56 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.01 3.09 0.15 1.61 1.81 -0.61 -5.11 118.95 119.88 2a3x s ARG 57 Ca 0.00 -0.79 -0.23 0.00 -1.72 0.00 0.00 55.73 52.99 2a3x s ARG 57 Cb 0.00 -2.61 -0.08 0.00 -0.45 0.00 0.00 34.95 31.82 2a3x s ARG 57 CO 0.00 -0.12 0.72 0.34 -0.68 0.00 0.00 175.30 175.56 2a3x s ASP 58 N 1.11 7.26 -1.42 0.23 2.15 -1.26 -3.35 116.67 121.38 2a3x s ASP 58 Ca 0.00 1.51 -0.03 0.00 0.43 0.00 0.00 52.55 54.46 2a3x s ASP 58 Cb -0.14 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2a3x s ASP 58 CO -0.07 0.20 0.06 0.59 -0.17 0.00 0.00 175.17 175.79 2a3x n ASN 59 N 1.48 0.42 -0.13 -0.34 3.02 -1.26 -4.07 115.26 114.37 2a3x n ASN 59 Ca -0.06 -1.20 0.08 0.00 -0.03 0.00 0.00 54.58 53.36 2a3x n ASN 59 Cb 0.50 -1.49 0.41 0.00 -0.61 0.00 0.00 39.78 38.59 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 -1.69 0.60 -2.59 3.52 4.57 -1.75 -3.09 114.58 114.14 2a3x h GLU 60 Ca -0.62 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 57.40 2a3x h GLU 60 Cb 1.31 -0.13 -0.28 0.00 -0.16 0.00 0.00 28.75 29.49 2a3x h GLU 60 CO 0.65 0.39 -0.38 -1.17 -1.18 0.00 0.00 179.01 177.32 2a3x s LEU 61 N -9.56 -0.48 -0.04 1.64 2.96 -1.03 -1.06 118.68 111.10 2a3x s LEU 61 Ca -0.09 0.91 -0.02 0.00 -0.22 0.00 0.00 54.13 54.72 2a3x s LEU 61 Cb 0.19 1.25 0.03 0.00 0.50 0.00 0.00 46.19 48.17 2a3x s LEU 61 CO 0.76 -0.23 0.07 -0.22 -1.32 0.00 0.00 176.35 175.41 2a3x s LEU 62 N 2.35 0.39 -0.39 -0.68 2.96 -0.06 -1.36 118.68 121.89 2a3x s LEU 62 Ca -0.03 0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.82 2a3x s LEU 62 Cb -0.11 -0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.53 2a3x s LEU 62 CO -0.12 -0.21 0.45 -0.69 -1.32 0.00 0.00 176.35 174.45 2a3x s VAL 63 N 1.85 5.08 0.02 1.68 1.01 -0.31 -1.39 120.40 128.33 2a3x s VAL 63 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2a3x s VAL 63 Cb -0.12 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2a3x s VAL 63 CO -0.03 -0.30 -0.12 -0.47 0.00 0.00 0.00 175.10 174.18 2a3x s TYR 64 N 2.21 1.04 -0.33 5.22 5.04 -0.99 -0.77 117.35 128.76 2a3x s TYR 64 Ca 0.14 -0.28 -0.01 0.00 -2.44 0.00 0.00 57.07 54.48 2a3x s TYR 64 Cb -0.16 -0.64 0.08 0.00 0.35 0.00 0.00 41.96 41.58 2a3x s TYR 64 CO 0.13 0.00 0.05 0.21 -1.34 0.00 0.00 175.55 174.61 2a3x s LYS 65 N -0.76 2.14 0.04 4.97 2.20 -0.63 -0.91 119.74 126.80 2a3x s LYS 65 Ca 0.02 -1.52 -0.26 0.00 -0.36 0.00 0.00 55.97 53.85 2a3x s LYS 65 Cb -0.06 -3.26 -0.17 0.00 -1.51 0.00 0.00 37.83 32.82 2a3x s LYS 65 CO 0.00 -0.79 1.46 0.93 -0.36 0.00 0.00 175.35 176.59 2a3x h GLU 66 N 7.93 -0.31 0.00 4.03 4.39 -1.82 -2.55 114.58 126.25 2a3x h GLU 66 Ca -0.16 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2a3x h GLU 66 Cb 1.05 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2a3x h GLU 66 CO 0.57 -0.06 0.00 2.89 -1.16 0.00 0.00 179.01 181.25 2a3x n ARG 67 N -5.14 0.00 -2.22 2.33 1.85 -1.26 -3.70 116.66 108.52 2a3x n ARG 67 Ca -0.09 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.33 2a3x n ARG 67 Cb 0.21 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.59 2a3x n ARG 67 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2a3x s VAL 68 N -2.46 3.70 -0.32 8.89 1.01 -1.26 -3.35 120.40 126.61 2a3x s VAL 68 Ca 0.00 1.09 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 2a3x s VAL 68 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2a3x s VAL 68 CO 0.00 -0.00 0.03 0.61 0.00 0.00 0.00 175.10 175.74 2a3x n GLY 69 N 3.64 0.27 2.91 4.51 0.00 -1.26 -4.99 105.19 110.27 2a3x n GLY 69 Ca 0.13 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 2a3x n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3x s GLU 70 N -4.32 0.37 -0.24 1.61 2.02 -1.21 -1.49 118.70 115.44 2a3x s GLU 70 Ca 0.01 0.38 -0.06 0.00 0.02 0.00 0.00 54.97 55.32 2a3x s GLU 70 Cb -0.01 -0.41 -0.02 0.00 0.10 0.00 0.00 34.13 33.80 2a3x s GLU 70 CO 0.02 -0.79 0.02 0.71 0.02 0.00 0.00 175.26 175.23 2a3x s TYR 71 N 2.54 3.03 0.13 1.61 2.02 -0.57 -3.24 117.35 122.87 2a3x s TYR 71 Ca 0.12 -0.68 0.02 0.00 -0.37 0.00 0.00 57.07 56.16 2a3x s TYR 71 Cb -0.14 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 2a3x s TYR 71 CO -0.22 -0.46 0.24 -1.12 -1.57 0.00 0.00 175.55 172.42 2a3x s SER 72 N 1.55 6.20 -0.10 2.29 0.01 -0.09 -2.38 113.70 121.17 2a3x s SER 72 Ca 0.06 0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.46 2a3x s SER 72 Cb -0.15 -1.84 0.03 0.00 0.21 0.00 0.00 66.02 64.27 2a3x s SER 72 CO 0.00 0.09 -0.02 -0.22 0.41 0.00 0.00 173.24 173.50 2a3x s LEU 73 N -3.00 0.90 -0.20 2.44 2.96 0.48 -2.36 118.68 119.89 2a3x s LEU 73 Ca 0.34 -0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 53.86 2a3x s LEU 73 Cb -0.11 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 2a3x s LEU 73 CO 0.27 -0.18 0.29 -0.31 -1.32 0.00 0.00 176.35 175.10 2a3x s TYR 74 N 1.85 3.38 -0.22 5.38 2.02 -0.49 -1.87 117.35 127.41 2a3x s TYR 74 Ca 0.04 0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 57.21 2a3x s TYR 74 Cb -0.13 -2.39 0.07 0.00 -0.40 0.00 0.00 41.96 39.11 2a3x s TYR 74 CO -0.07 0.09 0.02 0.42 -1.57 0.00 0.00 175.55 174.44 2a3x s ILE 75 N 0.98 0.83 -1.32 2.71 -1.09 -0.77 -0.88 121.20 121.67 2a3x s ILE 75 Ca 0.14 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.68 2a3x s ILE 75 Cb -0.14 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.44 2a3x s ILE 75 CO 0.05 -0.24 0.92 0.61 -1.23 0.00 0.00 174.94 175.05 2a3x n GLY 76 N 4.92 -0.39 4.07 6.18 0.00 -0.22 -2.27 105.19 117.49 2a3x n GLY 76 Ca -0.09 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.42 0.00 -1.40 1.61 1.74 -1.18 -4.98 116.66 108.03 2a3x n ARG 77 Ca -0.19 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.57 2a3x n ARG 77 Cb 0.63 -1.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.15 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 -0.76 2.37 -0.02 -1.55 3.76 -0.96 -5.04 115.29 113.09 2a3x s HIS 78 Ca 0.00 1.59 0.02 0.00 -0.15 0.00 0.00 55.06 56.52 2a3x s HIS 78 Cb 0.00 -3.21 0.01 0.00 1.11 0.00 0.00 32.58 30.49 2a3x s HIS 78 CO 0.00 -2.04 -0.05 0.21 -0.85 0.00 0.00 174.74 172.01 2a3x s LYS 79 N -4.39 0.58 0.03 1.40 2.20 -1.26 -1.85 119.74 116.45 2a3x s LYS 79 Ca 0.66 -0.17 0.03 0.00 -0.36 0.00 0.00 55.97 56.13 2a3x s LYS 79 Cb -0.21 -0.59 -0.02 0.00 -1.51 0.00 0.00 37.83 35.50 2a3x s LYS 79 CO 0.49 0.06 -0.09 0.14 -0.36 0.00 0.00 175.35 175.58 2a3x s VAL 80 N 0.23 0.68 -0.01 4.02 -7.23 -0.78 -5.00 120.40 112.31 2a3x s VAL 80 Ca -0.03 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2a3x s VAL 80 Cb -0.07 -0.66 0.01 0.00 0.56 0.00 0.00 36.38 36.22 2a3x s VAL 80 CO -0.00 -0.14 0.00 -0.89 -0.31 0.00 0.00 175.10 173.76 2a3x s THR 81 N -0.89 0.05 0.02 5.32 2.01 -1.26 -0.39 115.64 120.50 2a3x s THR 81 Ca -0.03 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.05 2a3x s THR 81 Cb -0.07 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 2a3x s THR 81 CO 0.01 0.05 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.40 2a3x s SER 82 N 0.35 1.78 0.16 3.53 0.01 -1.00 -5.00 113.70 113.52 2a3x s SER 82 Ca -0.03 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 56.87 2a3x s SER 82 Cb -0.05 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2a3x s SER 82 CO -0.01 0.10 0.23 -0.54 0.41 0.00 0.00 173.24 173.43 2a3x s LYS 83 N -0.89 3.22 0.07 12.44 1.02 -1.26 -1.52 119.74 132.83 2a3x s LYS 83 Ca 0.04 -0.73 -0.19 0.00 0.02 0.00 0.00 55.97 55.10 2a3x s LYS 83 Cb -0.07 -2.83 0.04 0.00 -0.52 0.00 0.00 37.83 34.46 2a3x s LYS 83 CO 0.01 0.50 0.46 0.54 -0.92 0.00 0.00 175.35 175.93 2a3x s VAL 84 N -1.78 0.05 -0.13 3.17 0.11 -0.55 -4.77 120.40 116.50 2a3x s VAL 84 Ca 0.33 -0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 58.70 2a3x s VAL 84 Cb -0.10 -1.02 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2a3x s VAL 84 CO 0.26 -0.21 1.09 -0.63 -3.33 0.00 0.00 175.10 172.28 2a3x s ILE 85 N -2.90 4.57 0.02 7.04 1.01 -1.26 -4.48 121.20 125.20 2a3x s ILE 85 Ca -0.03 1.87 -0.19 0.00 0.00 0.00 0.00 60.65 62.31 2a3x s ILE 85 Cb -0.00 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.30 2a3x s ILE 85 CO -0.05 -0.06 0.42 -1.83 0.00 0.00 0.00 174.94 173.42 2a3x s GLU 86 N 2.52 0.88 0.38 2.79 -1.05 -1.26 -5.08 118.70 117.88 2a3x s GLU 86 Ca 0.50 -0.26 -0.16 0.00 -0.15 0.00 0.00 54.97 54.89 2a3x s GLU 86 Cb -0.19 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 33.80 2a3x s GLU 86 CO 0.16 -0.29 0.82 0.15 0.95 0.00 0.00 175.26 177.04 2a3x s LYS 87 N -2.11 4.04 -0.04 -4.83 1.02 -1.26 -4.88 119.74 111.67 2a3x s LYS 87 Ca -0.08 0.79 -0.01 0.00 0.02 0.00 0.00 55.97 56.70 2a3x s LYS 87 Cb -0.02 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 2a3x s LYS 87 CO 0.00 0.05 0.03 0.12 -0.92 0.00 0.00 175.35 174.63 2a3x s PHE 88 N -2.13 0.23 0.33 3.18 5.36 -1.26 -3.50 117.98 120.19 2a3x s PHE 88 Ca 0.56 0.09 -0.11 0.00 -0.96 0.00 0.00 56.93 56.52 2a3x s PHE 88 Cb -0.10 -0.49 -0.07 0.00 -0.34 0.00 0.00 43.02 42.02 2a3x s PHE 88 CO 0.19 -0.19 0.69 -1.25 -1.46 0.00 0.00 175.22 173.20 2a3x s PRO 89 N 1.68 3.84 -0.16 10.12 0.04 -1.26 -5.19 135.00 144.07 2a3x s PRO 89 Ca -0.01 0.44 -0.28 0.00 0.04 0.00 0.00 61.00 61.19 2a3x s PRO 89 Cb -0.13 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 32.01 2a3x s PRO 89 CO -0.03 0.13 0.79 0.00 0.04 0.00 0.00 177.00 177.93 2a3x s ALA 90 N -2.09 -1.82 0.52 8.56 0.00 -1.23 -5.09 121.76 120.60 2a3x s ALA 90 Ca 0.50 1.64 -0.22 0.00 0.00 0.00 0.00 51.96 53.89 2a3x s ALA 90 Cb -0.10 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 2a3x s ALA 90 CO 0.24 -0.33 1.23 -2.14 0.00 0.00 0.00 175.76 174.76 2a3x s PRO 91 N -0.54 3.39 0.07 0.00 0.02 -1.26 -4.69 135.00 131.98 2a3x s PRO 91 Ca -0.05 1.93 0.05 0.00 0.02 0.00 0.00 61.00 62.95 2a3x s PRO 91 Cb -0.02 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 2a3x s PRO 91 CO 0.04 -0.90 -0.14 0.54 -0.33 0.00 0.00 177.00 176.21 2a3x s VAL 92 N -1.49 1.06 -0.31 3.83 0.11 0.45 -5.01 120.40 119.05 2a3x s VAL 92 Ca 0.69 -1.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.44 2a3x s VAL 92 Cb -0.33 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.54 2a3x s VAL 92 CO 0.38 -0.22 0.04 -2.28 -3.33 0.00 0.00 175.10 169.69 2a3x s HIS 93 N -1.25 3.22 -0.20 1.54 2.46 -1.26 -1.29 115.29 118.51 2a3x s HIS 93 Ca -0.02 -1.55 -0.09 0.00 0.47 0.00 0.00 55.06 53.87 2a3x s HIS 93 Cb -0.10 -2.18 -0.05 0.00 -0.13 0.00 0.00 32.58 30.13 2a3x s HIS 93 CO 0.02 -0.74 0.10 0.42 -2.47 0.00 0.00 174.74 172.08 2a3x s ILE 94 N 1.35 5.14 -0.05 0.89 1.01 -0.44 -2.15 121.20 126.95 2a3x s ILE 94 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2a3x s ILE 94 Cb -0.19 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 38.96 2a3x s ILE 94 CO 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 174.94 175.30 2a3x s VAL 96 N 0.77 0.24 0.05 0.00 0.11 0.58 -0.77 120.40 121.38 2a3x s VAL 96 Ca -0.13 0.17 0.09 0.00 -2.93 0.00 0.00 61.98 59.17 2a3x s VAL 96 Cb -0.15 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2a3x s VAL 96 CO 0.02 0.22 -0.24 -0.94 -3.33 0.00 0.00 175.10 170.83 2a3x s SER 97 N 1.75 2.87 -0.04 3.54 1.04 -0.49 -0.06 113.70 122.31 2a3x s SER 97 Ca 0.01 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.88 2a3x s SER 97 Cb -0.13 -0.25 0.02 0.00 0.10 0.00 0.00 66.02 65.77 2a3x s SER 97 CO -0.04 0.21 -0.04 0.86 0.98 0.00 0.00 173.24 175.22 2a3x s TRP 98 N -0.82 0.64 -0.11 5.02 -0.00 -0.77 0.59 118.94 123.48 2a3x s TRP 98 Ca 0.10 -0.15 -0.05 0.00 -0.00 0.00 0.00 56.10 56.00 2a3x s TRP 98 Cb -0.09 -0.58 -0.04 0.00 -0.00 0.00 0.00 33.47 32.76 2a3x s TRP 98 CO 0.02 -0.16 0.08 -2.00 -0.00 0.00 0.00 176.95 174.90 2a3x s GLU 99 N 0.81 3.28 -0.01 5.86 2.12 -0.86 -2.97 118.70 126.92 2a3x s GLU 99 Ca -0.10 -0.25 -0.18 0.00 0.36 0.00 0.00 54.97 54.80 2a3x s GLU 99 Cb -0.13 -3.04 -0.34 0.00 0.26 0.00 0.00 34.13 30.89 2a3x s GLU 99 CO -0.00 0.73 0.93 1.03 -0.54 0.00 0.00 175.26 177.41 2a3x h SER 100 N 5.11 0.68 -0.58 -1.70 0.87 -1.87 -1.62 113.55 114.44 2a3x h SER 100 Ca -0.53 -0.93 -0.02 0.00 -1.23 0.00 0.00 61.79 59.08 2a3x h SER 100 Cb 1.21 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 2a3x h SER 100 CO 0.57 1.59 0.29 0.77 -0.53 0.00 0.00 176.83 179.52 2a3x h SER 101 N -0.08 0.75 0.00 6.23 4.64 -1.93 -1.03 113.55 122.13 2a3x h SER 101 Ca -0.22 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2a3x h SER 101 Cb 1.95 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 2a3x h SER 101 CO 0.22 0.66 -1.64 -1.54 -0.87 0.00 0.00 176.83 173.65 2a3x n SER 102 N -4.55 0.37 0.00 4.97 3.41 -1.26 -4.64 113.62 111.92 2a3x n SER 102 Ca 0.03 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 2a3x n SER 102 Cb 0.11 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 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 1.35 0.48 3.65 5.00 0.00 -0.61 -4.81 105.19 110.24 2a3x n GLY 103 Ca -0.01 0.00 -0.43 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 -2.19 4.55 -0.22 -0.61 -1.09 -1.21 -0.18 121.20 120.24 2a3x s ILE 104 Ca 0.00 1.84 -0.17 0.00 -2.23 0.00 0.00 60.65 60.09 2a3x s ILE 104 Cb 0.00 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 2a3x s ILE 104 CO 0.00 -0.28 0.45 0.00 -1.23 0.00 0.00 174.94 173.88 2a3x s ALA 105 N 3.44 3.56 -0.22 9.38 0.00 0.19 -2.04 121.76 136.07 2a3x s ALA 105 Ca 0.46 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 2a3x s ALA 105 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2a3x s ALA 105 CO 0.11 -0.46 0.08 -1.21 0.00 0.00 0.00 175.76 174.27 2a3x s GLU 106 N 1.68 3.85 -0.14 0.00 2.02 0.20 -2.11 118.70 124.20 2a3x s GLU 106 Ca 0.20 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 2a3x s GLU 106 Cb -0.15 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.75 2a3x s GLU 106 CO 0.09 0.04 -0.11 -0.06 0.02 0.00 0.00 175.26 175.24 2a3x s PHE 107 N 1.01 2.85 -0.10 1.61 0.08 -1.26 -1.40 117.98 120.77 2a3x s PHE 107 Ca 0.04 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.52 2a3x s PHE 107 Cb -0.14 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 2a3x s PHE 107 CO 0.03 -0.18 -0.11 -1.58 -0.10 0.00 0.00 175.22 173.28 2a3x s TRP 108 N 0.37 1.65 -0.13 0.36 0.52 0.05 0.26 118.94 122.02 2a3x s TRP 108 Ca -0.10 -0.78 0.02 0.00 0.02 0.00 0.00 56.10 55.26 2a3x s TRP 108 Cb -0.16 -1.27 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 2a3x s TRP 108 CO 0.05 -0.46 -0.19 0.42 0.02 0.00 0.00 176.95 176.79 2a3x s ILE 109 N 1.26 1.85 -1.26 2.03 -1.09 0.04 -1.14 121.20 122.90 2a3x s ILE 109 Ca -0.02 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.53 2a3x s ILE 109 Cb -0.14 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.09 2a3x s ILE 109 CO -0.04 0.51 0.10 0.59 -1.23 0.00 0.00 174.94 174.87 2a3x n ASN 110 N 4.21 -4.45 0.00 3.58 3.02 -0.91 -0.80 115.26 119.91 2a3x n ASN 110 Ca -0.20 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2a3x n ASN 110 Cb 0.51 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 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 -0.94 1.69 3.80 7.41 0.00 -1.26 -5.03 105.19 110.86 2a3x n GLY 111 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.85 5.20 0.19 2.61 2.01 0.02 -4.92 115.64 117.90 2a3x s THR 112 Ca 0.00 0.66 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 2a3x s THR 112 Cb 0.00 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 2a3x s THR 112 CO 0.00 0.51 0.93 -2.16 -0.69 0.00 0.00 174.62 173.21 2a3x s PRO 113 N -0.46 4.78 0.41 4.92 0.04 -1.26 -0.78 135.00 142.65 2a3x s PRO 113 Ca 0.20 1.44 0.08 0.00 0.04 0.00 0.00 61.00 62.76 2a3x s PRO 113 Cb -0.15 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.09 2a3x s PRO 113 CO 0.09 0.42 0.56 -0.51 0.04 0.00 0.00 177.00 177.59 2a3x s LEU 114 N -0.77 3.71 -0.05 -3.56 1.43 0.14 -4.94 118.68 114.64 2a3x s LEU 114 Ca 0.42 -0.38 -0.35 0.00 -1.03 0.00 0.00 54.13 52.80 2a3x s LEU 114 Cb -0.25 -2.68 -0.13 0.00 0.03 0.00 0.00 46.19 43.16 2a3x s LEU 114 CO 0.31 -0.71 1.76 0.52 0.23 0.00 0.00 176.35 178.46 2a3x n VAL 115 N -1.82 0.38 -1.88 -1.59 0.31 -1.26 -4.52 118.33 107.95 2a3x n VAL 115 Ca 0.07 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 2a3x n VAL 115 Cb 0.59 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 31.87 2a3x n VAL 115 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2a3x s LYS 116 N 3.09 4.18 0.37 5.55 1.02 -1.26 -4.71 119.74 127.98 2a3x s LYS 116 Ca 0.90 2.46 0.06 0.00 0.02 0.00 0.00 55.97 59.42 2a3x s LYS 116 Cb -0.77 -3.06 -0.07 0.00 -0.52 0.00 0.00 37.83 33.42 2a3x s LYS 116 CO 0.51 -0.53 0.00 0.15 -0.92 0.00 0.00 175.35 174.56 2a3x s LYS 117 N -0.54 1.83 -0.03 1.68 -0.14 -0.90 -4.99 119.74 116.65 2a3x s LYS 117 Ca 0.61 -2.01 -0.03 0.00 -1.36 0.00 0.00 55.97 53.18 2a3x s LYS 117 Cb -0.45 -1.40 0.01 0.00 -1.68 0.00 0.00 37.83 34.31 2a3x s LYS 117 CO 0.47 -0.06 0.08 0.20 -0.76 0.00 0.00 175.35 175.28 2a3x s GLY 118 N -3.62 -0.05 -0.10 -3.33 0.00 -1.26 0.57 107.32 99.53 2a3x s GLY 118 Ca 0.35 0.26 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 2a3x s GLY 118 CO 0.17 0.27 0.79 0.48 0.00 0.00 0.00 173.10 174.81 2a3x s LEU 119 N 0.17 -0.57 -1.11 0.66 2.34 0.74 -4.96 118.68 115.95 2a3x s LEU 119 Ca -0.01 0.67 -0.12 0.00 0.06 0.00 0.00 54.13 54.73 2a3x s LEU 119 Cb -0.02 2.31 -0.04 0.00 -0.56 0.00 0.00 46.19 47.89 2a3x s LEU 119 CO -0.00 -0.50 0.85 0.54 -1.06 0.00 0.00 176.35 176.18 2a3x n ARG 120 N 0.99 -2.02 -2.07 1.48 5.12 -1.26 -4.56 116.66 114.34 2a3x n ARG 120 Ca -0.16 0.67 -0.42 0.00 -1.93 0.00 0.00 57.85 56.01 2a3x n ARG 120 Cb 0.57 -5.04 -0.03 0.00 -1.16 0.00 0.00 32.46 26.81 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 -5.21 4.24 -0.39 5.56 0.74 -1.26 -2.85 119.66 120.50 2a3x s GLN 121 Ca 0.43 2.15 -0.01 0.00 0.05 0.00 0.00 55.36 57.98 2a3x s GLN 121 Cb -0.10 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.43 2a3x s GLN 121 CO 0.80 -0.65 0.18 0.41 -0.55 0.00 0.00 175.29 175.48 2a3x n GLY 122 N 3.82 0.41 3.39 2.59 0.00 -0.39 -5.03 105.19 109.97 2a3x n GLY 122 Ca 0.14 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.76 2.56 -0.24 1.61 5.04 -1.13 -5.09 117.35 117.34 2a3x s TYR 123 Ca 0.09 -0.34 -0.10 0.00 -2.44 0.00 0.00 57.07 54.28 2a3x s TYR 123 Cb -0.04 -1.60 -0.05 0.00 0.35 0.00 0.00 41.96 40.63 2a3x s TYR 123 CO 0.11 0.05 0.14 -0.06 -1.34 0.00 0.00 175.55 174.45 2a3x s PHE 124 N -0.56 3.26 0.13 4.97 0.08 -1.26 -4.85 117.98 119.74 2a3x s PHE 124 Ca 0.08 0.10 -0.30 0.00 0.12 0.00 0.00 56.93 56.92 2a3x s PHE 124 Cb -0.11 -2.26 -0.06 0.00 -0.57 0.00 0.00 43.02 40.02 2a3x s PHE 124 CO 0.01 -0.02 1.01 0.54 -0.10 0.00 0.00 175.22 176.65 2a3x s VAL 125 N 1.18 4.29 0.82 -0.44 0.11 -1.11 -4.92 120.40 120.33 2a3x s VAL 125 Ca 0.07 1.91 -0.13 0.00 -2.93 0.00 0.00 61.98 60.90 2a3x s VAL 125 Cb -0.14 -4.22 0.09 0.00 -1.53 0.00 0.00 36.38 30.57 2a3x s VAL 125 CO 0.05 0.30 1.16 -0.62 -3.33 0.00 0.00 175.10 172.66 2a3x n GLU 126 N 2.71 0.11 -3.14 1.54 -0.58 -1.26 -1.44 120.64 118.58 2a3x n GLU 126 Ca 0.03 0.11 -0.18 0.00 -0.42 0.00 0.00 57.16 56.71 2a3x n GLU 126 Cb 0.48 -2.40 0.01 0.00 -0.57 0.00 0.00 31.44 28.95 2a3x n GLU 126 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2a3x s ALA 127 N -2.17 4.45 -0.82 0.62 0.00 -1.26 -4.58 121.76 117.99 2a3x s ALA 127 Ca 0.72 -1.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 2a3x s ALA 127 Cb -0.29 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 2a3x s ALA 127 CO 0.52 -0.21 0.68 1.04 0.00 0.00 0.00 175.76 177.78 2a3x n GLN 128 N -1.79 -1.41 -2.77 0.00 6.02 -1.26 -4.90 117.38 111.27 2a3x n GLN 128 Ca 0.06 1.11 -0.22 0.00 -0.01 0.00 0.00 57.00 57.93 2a3x n GLN 128 Cb 0.59 -4.32 0.09 0.00 1.02 0.00 0.00 30.24 27.62 2a3x n GLN 128 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a3x s PRO 129 N -4.05 1.92 -0.26 -1.09 0.04 -1.26 -4.71 135.00 125.59 2a3x s PRO 129 Ca 0.06 -1.34 0.01 0.00 0.04 0.00 0.00 61.00 59.77 2a3x s PRO 129 Cb -0.02 -2.46 0.07 0.00 0.04 0.00 0.00 34.50 32.13 2a3x s PRO 129 CO 0.82 -1.22 -0.02 0.15 0.04 0.00 0.00 177.00 176.77 2a3x s LYS 130 N -4.95 1.49 -0.26 4.56 1.02 0.11 -4.95 119.74 116.75 2a3x s LYS 130 Ca 0.65 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 55.41 2a3x s LYS 130 Cb -0.05 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 2a3x s LYS 130 CO 0.42 -0.70 0.17 0.42 -0.92 0.00 0.00 175.35 174.74 2a3x s ILE 131 N 1.35 5.28 0.11 2.17 1.01 -1.23 -3.10 121.20 126.79 2a3x s ILE 131 Ca -0.02 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.88 2a3x s ILE 131 Cb -0.19 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2a3x s ILE 131 CO -0.09 0.30 -0.21 0.68 0.00 0.00 0.00 174.94 175.62 2a3x s VAL 132 N 1.41 2.63 -0.04 2.92 -7.23 -0.99 0.00 120.40 119.10 2a3x s VAL 132 Ca 0.07 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2a3x s VAL 132 Cb -0.15 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 2a3x s VAL 132 CO 0.08 0.14 -0.23 -0.76 -0.31 0.00 0.00 175.10 174.02 2a3x s LEU 133 N -1.98 2.21 0.00 1.32 1.02 0.71 -2.69 118.68 119.28 2a3x s LEU 133 Ca 0.16 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.89 2a3x s LEU 133 Cb -0.10 -1.40 0.00 0.00 0.02 0.00 0.00 46.19 44.71 2a3x s LEU 133 CO 0.08 0.30 0.00 0.61 0.02 0.00 0.00 176.35 177.36 2a3x n GLY 134 N 2.59 2.12 3.18 -3.19 0.00 -1.26 -0.95 105.19 107.67 2a3x n GLY 134 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.67 1.00 -0.10 1.61 -1.52 -1.26 0.06 119.66 118.78 2a3x s GLN 135 Ca 0.00 -1.48 -0.01 0.00 -1.95 0.00 0.00 55.36 51.92 2a3x s GLN 135 Cb 0.00 0.12 -0.03 0.00 -0.22 0.00 0.00 33.01 32.88 2a3x s GLN 135 CO 0.00 -0.24 -0.05 -2.00 -0.25 0.00 0.00 175.29 172.75 2a3x s GLU 136 N -4.03 3.07 -0.30 2.91 -6.30 -1.26 -4.60 118.70 108.19 2a3x s GLU 136 Ca 0.25 -0.52 -0.13 0.00 -2.50 0.00 0.00 54.97 52.07 2a3x s GLU 136 Cb 0.07 -2.72 -0.03 0.00 0.00 0.00 0.00 34.13 31.45 2a3x s GLU 136 CO 0.03 0.54 0.29 -0.65 0.02 0.00 0.00 175.26 175.50 2a3x s GLN 137 N -0.46 3.82 0.04 4.30 -0.21 -1.26 -4.02 119.66 121.87 2a3x s GLN 137 Ca 0.07 -0.27 0.22 0.00 0.02 0.00 0.00 55.36 55.40 2a3x s GLN 137 Cb -0.12 -3.71 -0.22 0.00 1.00 0.00 0.00 33.01 29.96 2a3x s GLN 137 CO 0.02 -0.33 0.66 -0.25 -2.12 0.00 0.00 175.29 173.28 2a3x n ASP 138 N 5.23 0.31 -1.42 5.90 8.00 -1.08 -4.58 116.55 128.90 2a3x n ASP 138 Ca -0.11 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2a3x n ASP 138 Cb 0.51 1.40 0.00 0.00 -0.02 0.00 0.00 41.12 43.00 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 -2.43 1.08 -4.58 -2.24 3.41 -1.15 -4.91 113.62 102.80 2a3x n SER 139 Ca -0.04 -0.92 -0.40 0.00 -0.26 0.00 0.00 58.87 57.25 2a3x n SER 139 Cb 0.59 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 2a3x n SER 139 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2a3x s TYR 140 N -1.34 2.60 0.00 7.33 5.04 -1.26 -3.75 117.35 125.97 2a3x s TYR 140 Ca 0.00 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.46 2a3x s TYR 140 Cb 0.00 -4.60 0.00 0.00 0.35 0.00 0.00 41.96 37.71 2a3x s TYR 140 CO 0.00 -1.68 0.00 0.41 -1.34 0.00 0.00 175.55 172.94 2a3x n GLY 141 N 5.50 0.70 0.00 8.97 0.00 -1.26 -5.01 105.19 114.09 2a3x n GLY 141 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 5.21 3.51 -0.02 0.00 -1.25 -5.01 105.19 105.64 2a3x n GLY 142 Ca 0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 2a3x n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a3x n LYS 143 N 0.00 -1.43 -2.94 1.61 4.81 -1.26 -2.92 118.16 116.03 2a3x n LYS 143 Ca 0.00 0.75 -0.34 0.00 -0.87 0.00 0.00 58.31 57.85 2a3x n LYS 143 Cb 0.00 -4.47 -0.07 0.00 0.02 0.00 0.00 35.03 30.51 2a3x n LYS 143 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2a3x s PHE 144 N -3.31 3.42 -0.16 5.64 0.08 -1.26 -2.65 117.98 119.74 2a3x s PHE 144 Ca 0.33 1.49 -0.06 0.00 0.12 0.00 0.00 56.93 58.82 2a3x s PHE 144 Cb -0.10 -2.74 -0.04 0.00 -0.57 0.00 0.00 43.02 39.57 2a3x s PHE 144 CO 0.83 0.05 0.02 -0.51 -0.10 0.00 0.00 175.22 175.50 2a3x s ASP 145 N -2.07 5.30 0.28 1.36 1.01 -1.26 -5.02 116.67 116.27 2a3x s ASP 145 Ca 0.56 0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.86 2a3x s ASP 145 Cb -0.12 -1.87 0.40 0.00 1.01 0.00 0.00 42.92 42.35 2a3x s ASP 145 CO 0.17 0.19 1.69 -0.09 0.21 0.00 0.00 175.17 177.34 2a3x h ARG 146 N 6.57 0.39 0.00 8.23 2.43 -1.93 -2.72 114.38 127.35 2a3x h ARG 146 Ca -0.36 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2a3x h ARG 146 Cb 1.18 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2a3x h ARG 146 CO 0.67 0.69 0.00 -1.13 -1.51 0.00 0.00 179.97 178.68 2a3x n SER 147 N -4.07 0.00 -0.30 -3.80 3.41 -1.26 -2.97 113.62 104.63 2a3x n SER 147 Ca -0.01 -0.15 0.06 0.00 -0.26 0.00 0.00 58.87 58.51 2a3x n SER 147 Cb 0.45 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.28 1.85 -2.20 4.33 6.02 -1.04 -4.61 117.38 120.44 2a3x n GLN 148 Ca 0.14 -0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 55.99 2a3x n GLN 148 Cb 0.23 -1.17 -0.03 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.55 6.86 -0.08 1.08 1.04 -1.10 -1.42 113.70 118.53 2a3x s SER 149 Ca 0.11 2.34 -0.27 0.00 0.48 0.00 0.00 55.95 58.60 2a3x s SER 149 Cb 0.10 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 2a3x s SER 149 CO 0.31 -0.60 0.90 0.12 0.98 0.00 0.00 173.24 174.94 2a3x s PHE 150 N 0.76 3.55 -0.16 5.02 5.36 0.11 -4.79 117.98 127.82 2a3x s PHE 150 Ca 0.62 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 58.07 2a3x s PHE 150 Cb -0.36 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.30 2a3x s PHE 150 CO 0.33 -0.11 -0.10 0.54 -1.46 0.00 0.00 175.22 174.42 2a3x s VAL 151 N 1.52 1.43 -0.11 3.12 0.11 -1.26 -4.73 120.40 120.49 2a3x s VAL 151 Ca 0.45 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2a3x s VAL 151 Cb -0.19 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.21 2a3x s VAL 151 CO 0.20 0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 2a3x n GLY 152 N 4.79 -0.63 2.75 6.54 0.00 0.29 -4.63 105.19 114.30 2a3x n GLY 152 Ca -0.15 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 2a3x n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3x s GLU 153 N -1.53 0.73 0.05 1.61 2.02 -0.15 -0.22 118.70 121.21 2a3x s GLU 153 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.52 2a3x s GLU 153 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 2a3x s GLU 153 CO 0.00 -0.65 0.14 -1.50 0.02 0.00 0.00 175.26 173.27 2a3x s ILE 154 N 1.82 4.96 0.29 -1.63 2.07 0.47 -0.64 121.20 128.54 2a3x s ILE 154 Ca -0.01 -0.52 -0.19 0.00 -1.41 0.00 0.00 60.65 58.53 2a3x s ILE 154 Cb -0.17 -3.38 0.07 0.00 0.13 0.00 0.00 42.46 39.11 2a3x s ILE 154 CO -0.08 0.18 0.92 -0.83 -1.91 0.00 0.00 174.94 173.22 2a3x s GLY 155 N -2.29 0.28 -1.66 1.50 0.00 0.59 -0.12 107.32 105.61 2a3x s GLY 155 Ca 0.30 -0.59 -0.10 0.00 0.00 0.00 0.00 44.72 44.33 2a3x s GLY 155 CO 0.23 1.18 0.34 1.22 0.00 0.00 0.00 173.10 176.07 2a3x n ASP 156 N -1.39 -0.61 -4.68 1.64 8.00 -1.26 -0.09 116.55 118.14 2a3x n ASP 156 Ca -0.06 -1.20 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 2a3x n ASP 156 Cb 0.60 -1.91 -0.03 0.00 -0.02 0.00 0.00 41.12 39.76 2a3x n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a3x s LEU 157 N -7.28 4.24 0.01 0.64 2.96 -1.26 -3.93 118.68 114.06 2a3x s LEU 157 Ca 0.36 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.88 2a3x s LEU 157 Cb -0.21 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 2a3x s LEU 157 CO 0.99 -0.52 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.17 2a3x s TYR 158 N 2.24 0.13 -0.02 5.38 1.51 0.16 -2.21 117.35 124.54 2a3x s TYR 158 Ca 0.50 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.37 2a3x s TYR 158 Cb -0.20 -0.09 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 2a3x s TYR 158 CO 0.18 -0.06 0.00 1.41 -1.11 0.00 0.00 175.55 175.97 2a3x s MET 159 N -0.53 0.16 0.33 -0.62 1.75 0.10 -0.24 119.30 120.24 2a3x s MET 159 Ca -0.05 0.06 0.09 0.00 -1.25 0.00 0.00 55.69 54.53 2a3x s MET 159 Cb -0.04 -0.30 -0.05 0.00 2.84 0.00 0.00 34.83 37.28 2a3x s MET 159 CO -0.00 -0.09 0.05 -1.58 -0.65 0.00 0.00 175.02 172.75 2a3x s TRP 160 N 0.68 2.62 -2.29 4.11 0.51 0.42 -2.63 118.94 122.37 2a3x s TRP 160 Ca -0.06 -0.39 0.21 0.00 -2.12 0.00 0.00 56.10 53.74 2a3x s TRP 160 Cb -0.09 -1.49 0.54 0.00 -0.81 0.00 0.00 33.47 31.62 2a3x s TRP 160 CO -0.02 0.45 1.45 -0.40 -0.51 0.00 0.00 176.95 177.93 2a3x n ASP 161 N -1.01 2.69 -4.27 2.95 5.75 -1.26 -2.45 116.55 118.96 2a3x n ASP 161 Ca -0.04 -1.90 -0.18 0.00 -0.01 0.00 0.00 54.79 52.66 2a3x n ASP 161 Cb 0.61 -0.23 -0.11 0.00 -1.03 0.00 0.00 41.12 40.37 2a3x n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a3x s SER 162 N -1.39 2.17 -0.19 -1.12 1.04 -1.26 -4.15 113.70 108.81 2a3x s SER 162 Ca 0.36 -0.88 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 2a3x s SER 162 Cb 0.20 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 2a3x s SER 162 CO 0.28 -0.16 1.17 -0.69 0.98 0.00 0.00 173.24 174.82 2a3x s VAL 163 N -2.42 4.44 -0.14 5.02 1.01 -1.26 -3.09 120.40 123.97 2a3x s VAL 163 Ca 0.13 1.74 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 2a3x s VAL 163 Cb -0.03 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2a3x s VAL 163 CO 0.04 -0.15 1.03 -0.76 0.00 0.00 0.00 175.10 175.25 2a3x s LEU 164 N 3.37 4.21 0.76 3.92 1.02 -1.26 -5.04 118.68 125.66 2a3x s LEU 164 Ca 0.50 1.51 -0.12 0.00 0.02 0.00 0.00 54.13 56.05 2a3x s LEU 164 Cb -0.19 -3.55 0.05 0.00 0.02 0.00 0.00 46.19 42.52 2a3x s LEU 164 CO 0.11 -0.52 1.11 -2.16 0.02 0.00 0.00 176.35 174.92 2a3x s PRO 165 N 2.35 2.21 0.25 1.29 0.04 -1.26 -4.79 135.00 135.08 2a3x s PRO 165 Ca 0.48 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 2a3x s PRO 165 Cb -0.18 -1.88 0.47 0.00 0.04 0.00 0.00 34.50 32.95 2a3x s PRO 165 CO 0.15 -1.70 1.69 -1.35 0.04 0.00 0.00 177.00 175.83 2a3x h PRO 166 N -0.91 0.27 -1.00 0.56 0.11 -2.00 -1.23 132.00 127.81 2a3x h PRO 166 Ca -0.44 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.77 2a3x h PRO 166 Cb 1.24 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 2a3x h PRO 166 CO 0.51 0.18 0.63 1.49 -0.21 0.00 0.00 178.00 180.60 2a3x h GLU 167 N 0.28 0.96 -0.00 1.05 4.81 -2.00 -1.57 114.58 118.10 2a3x h GLU 167 Ca 0.42 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.44 2a3x h GLU 167 Cb 0.72 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2a3x h GLU 167 CO -0.51 0.64 -0.74 -0.91 -0.73 0.00 0.00 179.01 176.76 2a3x h ASN 168 N 0.99 0.05 -0.18 1.04 2.35 -1.59 -2.59 115.58 115.65 2a3x h ASN 168 Ca 0.50 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.17 2a3x h ASN 168 Cb 0.49 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2a3x h ASN 168 CO -0.26 0.77 -0.04 0.40 -1.65 0.00 0.00 177.43 176.65 2a3x h ILE 169 N 0.02 1.28 -0.79 2.81 1.08 -1.03 -2.68 117.51 118.21 2a3x h ILE 169 Ca -0.01 -1.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.48 2a3x h ILE 169 Cb 1.30 1.58 -0.04 0.00 -3.07 0.00 0.00 36.82 36.58 2a3x h ILE 169 CO 0.10 0.30 0.52 -0.07 -0.69 0.00 0.00 178.15 178.31 2a3x h LEU 170 N 0.06 0.87 -1.20 1.44 3.38 -1.36 -1.96 115.31 116.53 2a3x h LEU 170 Ca 0.05 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2a3x h LEU 170 Cb 0.47 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2a3x h LEU 170 CO 0.02 0.62 0.54 0.28 0.09 0.00 0.00 178.44 179.98 2a3x h SER 171 N 1.02 0.92 -0.10 -0.43 0.02 -1.31 -2.32 113.55 111.35 2a3x h SER 171 Ca 0.30 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.11 2a3x h SER 171 Cb -0.04 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2a3x h SER 171 CO -0.08 0.66 -0.35 0.00 -1.14 0.00 0.00 176.83 175.92 2a3x h ALA 172 N 1.50 0.88 -0.43 3.77 0.00 -1.02 -2.67 119.26 121.28 2a3x h ALA 172 Ca 0.31 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2a3x h ALA 172 Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2a3x h ALA 172 CO -0.07 0.63 -0.23 -0.92 0.00 0.00 0.00 179.25 178.66 2a3x h TYR 173 N 0.51 1.01 0.00 0.00 3.20 -1.05 -2.98 116.97 117.65 2a3x h TYR 173 Ca 0.05 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.66 2a3x h TYR 173 Cb 0.85 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 2a3x h TYR 173 CO 0.04 1.02 -0.09 1.96 -1.64 0.00 0.00 178.16 179.44 2a3x h GLN 174 N 0.76 0.00 0.00 1.82 7.50 -1.49 -3.46 115.11 120.24 2a3x h GLN 174 Ca 0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.25 2a3x h GLN 174 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.30 2a3x h GLN 174 CO 0.06 0.09 0.00 0.41 -1.50 0.00 0.00 178.83 177.89 2a3x n GLY 175 N -0.32 1.05 2.80 3.46 0.00 -1.13 -5.05 105.19 106.00 2a3x n GLY 175 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.14 2.33 -1.98 2.61 -2.24 -1.01 -5.04 114.28 107.82 2a3x n THR 176 Ca 0.00 -5.09 -0.30 0.00 -2.27 0.00 0.00 64.05 56.39 2a3x n THR 176 Cb 0.00 -2.19 0.01 0.00 -2.10 0.00 0.00 70.33 66.05 2a3x n THR 176 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a3x s PRO 177 N -1.84 3.54 0.31 -0.78 0.04 -1.25 -4.31 135.00 130.72 2a3x s PRO 177 Ca 0.30 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.82 2a3x s PRO 177 Cb 0.02 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2a3x s PRO 177 CO -0.10 -0.55 0.78 -0.51 0.04 0.00 0.00 177.00 176.66 2a3x s LEU 178 N -5.13 4.15 -0.22 -3.56 1.02 -1.26 -4.98 118.68 108.70 2a3x s LEU 178 Ca 0.54 1.43 -0.35 0.00 0.02 0.00 0.00 54.13 55.77 2a3x s LEU 178 Cb -0.11 -4.00 -0.12 0.00 0.02 0.00 0.00 46.19 41.98 2a3x s LEU 178 CO 0.53 -0.15 1.99 -2.65 0.02 0.00 0.00 176.35 176.09 2a3x n PRO 179 N -0.01 1.63 -3.20 1.29 -0.02 -1.26 -4.95 135.00 128.47 2a3x n PRO 179 Ca 0.02 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.71 2a3x n PRO 179 Cb 0.52 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 2a3x n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a3x s ALA 180 N 5.46 3.41 -0.24 3.55 0.00 -1.26 -5.02 121.76 127.65 2a3x s ALA 180 Ca 1.00 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.99 2a3x s ALA 180 Cb -0.78 -2.70 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 2a3x s ALA 180 CO 0.52 0.37 -0.19 0.09 0.00 0.00 0.00 175.76 176.55 2a3x n ASN 181 N 0.04 1.88 -0.07 0.00 4.13 -1.18 -4.72 115.26 115.34 2a3x n ASN 181 Ca 0.01 -0.12 -0.07 0.00 1.68 0.00 0.00 54.58 56.08 2a3x n ASN 181 Cb 0.52 -0.26 -0.03 0.00 -1.54 0.00 0.00 39.78 38.48 2a3x n ASN 181 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2a3x h ILE 182 N 0.00 0.19 -3.27 2.41 2.04 -1.83 -3.47 117.51 113.58 2a3x h ILE 182 Ca -0.55 -1.21 -0.47 0.00 1.00 0.00 0.00 64.86 63.63 2a3x h ILE 182 Cb 1.89 0.42 -0.37 0.00 -0.74 0.00 0.00 36.82 38.03 2a3x h ILE 182 CO -0.07 0.06 -0.78 -0.22 0.00 0.00 0.00 178.15 177.13 2a3x s LEU 183 N -8.23 0.98 -0.04 1.44 2.96 -1.15 -4.47 118.68 110.18 2a3x s LEU 183 Ca -0.14 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 2a3x s LEU 183 Cb 0.02 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 2a3x s LEU 183 CO 0.25 -0.13 -0.19 -0.62 -1.32 0.00 0.00 176.35 174.33 2a3x s ASP 184 N 1.63 2.39 0.23 3.68 2.15 -1.26 0.02 116.67 125.51 2a3x s ASP 184 Ca 0.01 -0.39 0.07 0.00 0.43 0.00 0.00 52.55 52.67 2a3x s ASP 184 Cb -0.13 -0.62 0.21 0.00 -0.30 0.00 0.00 42.92 42.08 2a3x s ASP 184 CO -0.05 0.18 1.52 -0.25 -0.17 0.00 0.00 175.17 176.41 2a3x h TRP 185 N 6.14 0.14 -0.00 -5.34 2.91 -1.81 -2.99 115.95 115.00 2a3x h TRP 185 Ca -0.33 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.63 2a3x h TRP 185 Cb 1.17 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 2a3x h TRP 185 CO 0.43 0.76 -0.06 1.04 -1.03 0.00 0.00 178.44 179.58 2a3x n GLN 186 N -3.75 0.24 -3.21 2.65 6.02 -1.26 -2.36 117.38 115.71 2a3x n GLN 186 Ca -0.02 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 56.81 2a3x n GLN 186 Cb 0.68 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.39 2a3x n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3x s ALA 187 N -2.78 -0.80 -0.13 -1.58 0.00 -1.14 -3.61 121.76 111.73 2a3x s ALA 187 Ca 0.21 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2a3x s ALA 187 Cb 0.19 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2a3x s ALA 187 CO 0.51 -2.15 -0.20 -1.17 0.00 0.00 0.00 175.76 172.75 2a3x s LEU 188 N 1.12 2.25 -0.49 0.00 2.96 -1.12 -4.14 118.68 119.26 2a3x s LEU 188 Ca 0.23 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.39 2a3x s LEU 188 Cb -0.07 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.18 2a3x s LEU 188 CO -0.07 0.11 0.71 0.20 -1.32 0.00 0.00 176.35 175.99 2a3x s ASN 189 N 0.62 6.30 0.03 3.68 -0.87 -1.26 -3.31 114.94 120.13 2a3x s ASN 189 Ca -0.11 -0.53 0.04 0.00 -1.57 0.00 0.00 52.86 50.69 2a3x s ASN 189 Cb -0.16 -2.34 -0.02 0.00 -0.02 0.00 0.00 41.25 38.71 2a3x s ASN 189 CO 0.03 -0.92 -0.12 -0.72 -2.57 0.00 0.00 177.10 172.80 2a3x s TYR 190 N 3.02 1.02 -0.18 2.20 1.13 -1.26 -2.88 117.35 120.40 2a3x s TYR 190 Ca 0.22 -0.34 -0.03 0.00 -1.41 0.00 0.00 57.07 55.51 2a3x s TYR 190 Cb -0.15 -0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 40.08 2a3x s TYR 190 CO 0.17 0.01 -0.06 -1.21 -2.51 0.00 0.00 175.55 171.95 2a3x s GLU 191 N -1.08 3.46 -0.14 -3.49 2.02 0.16 -4.97 118.70 114.67 2a3x s GLU 191 Ca -0.01 -0.61 -0.16 0.00 0.02 0.00 0.00 54.97 54.21 2a3x s GLU 191 Cb -0.07 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 2a3x s GLU 191 CO 0.01 0.00 0.40 0.42 0.02 0.00 0.00 175.26 176.11 2a3x s ILE 192 N 0.95 5.24 -0.07 -1.63 1.01 -1.26 -0.61 121.20 124.83 2a3x s ILE 192 Ca -0.00 0.79 0.02 0.00 0.00 0.00 0.00 60.65 61.45 2a3x s ILE 192 Cb -0.15 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2a3x s ILE 192 CO 0.01 0.35 -0.12 -0.13 0.00 0.00 0.00 174.94 175.04 2a3x s ARG 193 N 0.60 1.73 4.13 2.79 1.81 -0.86 -5.01 118.95 124.13 2a3x s ARG 193 Ca 0.22 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 2a3x s ARG 193 Cb -0.14 -1.46 0.00 0.00 -0.45 0.00 0.00 34.95 32.89 2a3x s ARG 193 CO 0.08 -0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.10 2a3x n GLY 194 N 3.96 0.94 3.54 -3.53 0.00 -1.26 -2.31 105.19 106.52 2a3x n GLY 194 Ca -0.22 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 2.67 -0.30 1.61 5.04 -1.26 -4.96 117.35 120.15 2a3x s TYR 195 Ca 0.00 0.07 -0.08 0.00 -2.44 0.00 0.00 57.07 54.62 2a3x s TYR 195 Cb 0.00 -4.29 0.14 0.00 0.35 0.00 0.00 41.96 38.16 2a3x s TYR 195 CO 0.00 -1.53 0.64 0.54 -1.34 0.00 0.00 175.55 173.86 2a3x s VAL 196 N 4.46 -1.00 0.16 3.14 0.11 -1.26 -4.57 120.40 121.44 2a3x s VAL 196 Ca 0.34 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.44 2a3x s VAL 196 Cb -0.11 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2a3x s VAL 196 CO 0.20 0.00 0.13 -0.63 -3.33 0.00 0.00 175.10 171.47 2a3x s ILE 197 N 2.89 4.49 -0.37 7.04 -1.09 -1.09 -4.98 121.20 128.09 2a3x s ILE 197 Ca 0.01 -1.05 -0.06 0.00 -2.23 0.00 0.00 60.65 57.31 2a3x s ILE 197 Cb -0.13 -3.28 0.06 0.00 -1.58 0.00 0.00 42.46 37.54 2a3x s ILE 197 CO -0.19 -0.08 0.15 -0.63 -1.23 0.00 0.00 174.94 172.95 2a3x s ILE 198 N -1.71 3.79 0.29 2.92 1.01 -1.26 -1.89 121.20 124.35 2a3x s ILE 198 Ca 0.31 -1.34 0.11 0.00 0.00 0.00 0.00 60.65 59.73 2a3x s ILE 198 Cb -0.10 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 2a3x s ILE 198 CO 0.23 -0.33 -0.11 -0.54 0.00 0.00 0.00 174.94 174.19 2a3x s LYS 199 N 1.37 1.89 0.72 2.79 -0.14 -1.08 -4.92 119.74 120.36 2a3x s LYS 199 Ca 0.01 -1.71 -0.15 0.00 -1.36 0.00 0.00 55.97 52.75 2a3x s LYS 199 Cb -0.21 -1.87 0.04 0.00 -1.68 0.00 0.00 37.83 34.11 2a3x s LYS 199 CO 0.01 0.28 1.23 -1.25 -0.76 0.00 0.00 175.35 174.86 2a3x s PRO 200 N -3.59 2.15 -0.35 -1.68 0.04 -1.26 -0.31 135.00 130.00 2a3x s PRO 200 Ca 0.31 1.83 -0.24 0.00 0.04 0.00 0.00 61.00 62.94 2a3x s PRO 200 Cb -0.04 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2a3x s PRO 200 CO 0.17 -1.85 0.82 -1.17 0.04 0.00 0.00 177.00 175.01 2a3x s LEU 201 N -5.07 4.09 -0.11 -3.56 2.96 -0.50 -4.63 118.68 111.87 2a3x s LEU 201 Ca 0.76 0.48 0.07 0.00 -0.22 0.00 0.00 54.13 55.22 2a3x s LEU 201 Cb -0.31 -3.09 -0.11 0.00 0.50 0.00 0.00 46.19 43.18 2a3x s LEU 201 CO 0.45 -0.73 -0.01 1.33 -1.32 0.00 0.00 176.35 176.07 2a3x n VAL 202 N 5.76 0.69 0.88 1.68 0.24 -1.26 -4.65 118.33 121.67 2a3x n VAL 202 Ca 0.04 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2a3x n VAL 202 Cb 0.48 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 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 -2.51 0.00 -0.65 6.34 4.27 -1.26 -5.27 117.44 118.36 2a3x n TRP 203 Ca -0.18 -0.12 0.00 0.00 -3.89 0.00 0.00 57.50 53.31 2a3x n TRP 203 Cb 0.80 -0.13 0.00 0.00 -1.36 0.00 0.00 31.31 30.62 2a3x n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68