#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3y s THR 2 N 0.00 4.32 -0.44 3.57 2.01 -0.43 -4.76 115.64 119.92 2a3y s THR 2 Ca 0.00 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 2a3y s THR 2 Cb 0.00 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.64 2a3y s THR 2 CO 0.00 0.51 0.74 -0.62 -0.69 0.00 0.00 174.62 174.56 2a3y s ASP 3 N 0.03 6.39 -0.35 3.53 -1.08 -1.26 -0.34 116.67 123.60 2a3y s ASP 3 Ca 0.03 -0.14 0.08 0.00 -0.52 0.00 0.00 52.55 52.00 2a3y s ASP 3 Cb -0.13 -2.36 0.67 0.00 -1.46 0.00 0.00 42.92 39.64 2a3y s ASP 3 CO 0.02 -0.85 1.76 0.18 0.52 0.00 0.00 175.17 176.80 2a3y n LEU 4 N 6.54 5.84 -4.66 -1.34 4.32 -0.54 -5.00 117.00 122.16 2a3y n LEU 4 Ca 0.01 -3.42 -0.50 0.00 -0.02 0.00 0.00 56.01 52.08 2a3y n LEU 4 Cb 0.48 -0.74 -0.05 0.00 -1.62 0.00 0.00 43.42 41.48 2a3y n LEU 4 CO 0.57 0.95 1.21 -1.20 -1.22 0.00 0.00 177.39 177.70 2a3y n SER 5 N -0.66 2.72 -0.18 -1.43 7.64 -1.26 -0.90 113.62 119.55 2a3y n SER 5 Ca 0.45 1.06 -0.02 0.00 1.01 0.00 0.00 58.87 61.37 2a3y n SER 5 Cb 1.39 -1.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2a3y n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3y n GLY 6 N 3.53 0.45 3.46 0.23 0.00 -1.26 -5.00 105.19 106.60 2a3y n GLY 6 Ca 0.20 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2a3y n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3y s LYS 7 N -1.45 1.66 0.12 1.61 1.02 -0.08 0.52 119.74 123.13 2a3y s LYS 7 Ca 0.00 -1.75 0.01 0.00 0.02 0.00 0.00 55.97 54.25 2a3y s LYS 7 Cb 0.00 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2a3y s LYS 7 CO 0.00 0.33 -0.04 0.14 -0.92 0.00 0.00 175.35 174.86 2a3y s VAL 8 N -2.51 0.62 -0.15 3.17 -7.23 0.55 -4.46 120.40 110.39 2a3y s VAL 8 Ca 0.29 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.33 2a3y s VAL 8 Cb -0.05 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2a3y s VAL 8 CO 0.14 -0.74 0.54 -0.36 -0.31 0.00 0.00 175.10 174.37 2a3y s PHE 9 N -3.68 3.45 -0.27 2.82 0.08 0.25 -1.98 117.98 118.65 2a3y s PHE 9 Ca 0.16 0.90 -0.08 0.00 0.12 0.00 0.00 56.93 58.02 2a3y s PHE 9 Cb 0.06 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.82 2a3y s PHE 9 CO -0.02 0.01 0.10 0.08 -0.10 0.00 0.00 175.22 175.29 2a3y s VAL 10 N 1.20 4.45 -0.71 -0.44 1.01 0.18 -1.33 120.40 124.76 2a3y s VAL 10 Ca 0.27 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2a3y s VAL 10 Cb -0.16 -3.15 0.18 0.00 0.00 0.00 0.00 36.38 33.26 2a3y s VAL 10 CO 0.11 0.24 0.65 -0.36 0.00 0.00 0.00 175.10 175.74 2a3y s PHE 11 N 1.62 3.56 -1.23 5.22 0.40 0.68 -1.11 117.98 127.12 2a3y s PHE 11 Ca 0.06 -1.75 0.30 0.00 -0.60 0.00 0.00 56.93 54.93 2a3y s PHE 11 Cb -0.16 -3.79 1.36 0.00 0.51 0.00 0.00 43.02 40.94 2a3y s PHE 11 CO 0.05 -1.00 1.98 -2.30 0.70 0.00 0.00 175.22 174.65 2a3y n PRO 12 N 4.45 0.23 -3.73 0.24 -0.02 -1.26 -1.43 135.00 133.47 2a3y n PRO 12 Ca 0.03 -0.01 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 2a3y n PRO 12 Cb 0.44 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.36 2a3y n PRO 12 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2a3y s ARG 13 N -2.78 0.96 0.01 -0.52 1.70 -1.26 -4.95 118.95 112.12 2a3y s ARG 13 Ca 0.21 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 2a3y s ARG 13 Cb 0.20 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 2a3y s ARG 13 CO 0.50 -0.35 1.02 -2.00 -1.08 0.00 0.00 175.30 173.39 2a3y s GLU 14 N -3.79 4.54 0.35 3.89 2.12 -1.26 -4.79 118.70 119.76 2a3y s GLU 14 Ca 0.04 1.48 -0.17 0.00 0.36 0.00 0.00 54.97 56.67 2a3y s GLU 14 Cb 0.03 -3.44 0.06 0.00 0.26 0.00 0.00 34.13 31.04 2a3y s GLU 14 CO -0.11 -0.08 0.82 -1.54 -0.54 0.00 0.00 175.26 173.81 2a3y s SER 15 N 0.99 -0.02 0.00 -1.70 1.04 -1.26 -5.03 113.70 107.72 2a3y s SER 15 Ca 0.53 -1.04 0.16 0.00 0.48 0.00 0.00 55.95 56.08 2a3y s SER 15 Cb -0.22 0.80 0.29 0.00 0.10 0.00 0.00 66.02 66.98 2a3y s SER 15 CO 0.28 -1.57 1.20 0.55 0.98 0.00 0.00 173.24 174.67 2a3y n VAL 16 N -0.54 0.52 -0.04 5.02 3.14 -1.26 -4.46 118.33 120.70 2a3y n VAL 16 Ca -0.07 -0.76 -0.08 0.00 -2.96 0.00 0.00 64.34 60.47 2a3y n VAL 16 Cb 0.60 0.90 -0.04 0.00 -1.06 0.00 0.00 33.84 34.24 2a3y n VAL 16 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2a3y n THR 17 N 0.93 0.49 -1.95 1.55 -1.04 -1.26 -4.74 114.28 108.26 2a3y n THR 17 Ca 0.13 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 2a3y n THR 17 Cb 0.45 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.71 2a3y n THR 17 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2a3y s ASP 18 N -5.34 6.26 0.12 8.00 1.01 -1.26 -4.68 116.67 120.77 2a3y s ASP 18 Ca -0.12 1.87 -0.15 0.00 0.71 0.00 0.00 52.55 54.86 2a3y s ASP 18 Cb 0.04 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.47 2a3y s ASP 18 CO 0.18 -1.32 0.37 -1.38 0.21 0.00 0.00 175.17 173.23 2a3y s HIS 19 N 5.52 -0.16 -0.14 4.23 -3.43 -0.16 -4.36 115.29 116.79 2a3y s HIS 19 Ca 0.79 -0.15 0.02 0.00 -0.80 0.00 0.00 55.06 54.92 2a3y s HIS 19 Cb -0.30 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.07 2a3y s HIS 19 CO 0.32 -0.67 -0.19 0.08 -2.00 0.00 0.00 174.74 172.28 2a3y s VAL 20 N -3.72 2.36 0.02 -5.38 1.01 0.04 -0.53 120.40 114.21 2a3y s VAL 20 Ca 0.03 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 2a3y s VAL 20 Cb 0.02 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2a3y s VAL 20 CO -0.11 0.54 0.76 0.20 0.00 0.00 0.00 175.10 176.49 2a3y s ASN 21 N 0.73 7.18 -0.37 3.32 0.01 0.78 -0.48 114.94 126.11 2a3y s ASN 21 Ca -0.08 1.41 -0.06 0.00 -0.71 0.00 0.00 52.86 53.42 2a3y s ASN 21 Cb -0.16 -2.46 0.07 0.00 0.41 0.00 0.00 41.25 39.11 2a3y s ASN 21 CO 0.01 -0.02 0.16 -0.76 -1.51 0.00 0.00 177.10 174.98 2a3y s LEU 22 N 0.13 4.73 -0.07 0.60 1.02 0.12 -0.78 118.68 124.42 2a3y s LEU 22 Ca 0.39 -1.47 -0.24 0.00 0.02 0.00 0.00 54.13 52.83 2a3y s LEU 22 Cb -0.20 -1.88 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2a3y s LEU 22 CO 0.22 -0.43 0.75 -0.63 0.02 0.00 0.00 176.35 176.28 2a3y s ILE 23 N 1.33 5.00 0.00 -0.59 1.09 -0.90 -4.04 121.20 123.09 2a3y s ILE 23 Ca 0.01 1.55 0.02 0.00 -1.10 0.00 0.00 60.65 61.13 2a3y s ILE 23 Cb -0.21 -4.09 -0.01 0.00 -1.06 0.00 0.00 42.46 37.09 2a3y s ILE 23 CO 0.01 0.20 -0.07 0.28 -0.10 0.00 0.00 174.94 175.26 2a3y s THR 24 N 1.05 0.51 -0.18 2.92 -1.32 -1.26 -4.66 115.64 112.69 2a3y s THR 24 Ca 0.39 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.51 2a3y s THR 24 Cb -0.18 -0.45 0.26 0.00 -1.51 0.00 0.00 72.50 70.61 2a3y s THR 24 CO 0.18 0.07 1.34 -0.81 -2.21 0.00 0.00 174.62 173.20 2a3y n PRO 25 N 2.72 1.49 -1.95 7.08 -0.04 -1.26 -4.85 135.00 138.19 2a3y n PRO 25 Ca -0.14 -1.14 -0.43 0.00 -0.04 0.00 0.00 63.50 61.75 2a3y n PRO 25 Cb 0.57 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 2a3y n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2a3y s LEU 26 N -1.25 3.78 -0.17 1.53 2.96 -1.26 -4.86 118.68 119.41 2a3y s LEU 26 Ca 0.22 1.71 0.13 0.00 -0.22 0.00 0.00 54.13 55.96 2a3y s LEU 26 Cb 0.18 -3.53 -0.19 0.00 0.50 0.00 0.00 46.19 43.15 2a3y s LEU 26 CO 0.04 -1.47 0.02 1.21 -1.32 0.00 0.00 176.35 174.84 2a3y n GLU 27 N 8.03 1.23 -3.23 1.98 2.13 -1.26 -1.95 120.64 127.57 2a3y n GLU 27 Ca 0.22 0.01 -0.39 0.00 0.66 0.00 0.00 57.16 57.66 2a3y n GLU 27 Cb 0.45 -1.42 -0.06 0.00 0.27 0.00 0.00 31.44 30.69 2a3y n GLU 27 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2a3y s LYS 28 N -2.40 4.33 0.26 5.31 1.02 -1.26 -4.73 119.74 122.28 2a3y s LYS 28 Ca -0.11 0.63 -0.31 0.00 0.02 0.00 0.00 55.97 56.21 2a3y s LYS 28 Cb 0.05 -3.40 -0.11 0.00 -0.52 0.00 0.00 37.83 33.85 2a3y s LYS 28 CO 0.64 0.23 1.62 -2.14 -0.92 0.00 0.00 175.35 174.78 2a3y s PRO 29 N 0.33 4.14 0.24 -1.68 0.02 -1.26 -4.69 135.00 132.10 2a3y s PRO 29 Ca 0.30 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.58 2a3y s PRO 29 Cb -0.17 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.22 2a3y s PRO 29 CO 0.14 -0.65 0.94 -0.51 -0.33 0.00 0.00 177.00 176.60 2a3y s LEU 30 N 0.01 4.65 -0.13 -5.54 1.43 -0.90 -4.88 118.68 113.33 2a3y s LEU 30 Ca 0.66 1.96 0.08 0.00 -1.03 0.00 0.00 54.13 55.80 2a3y s LEU 30 Cb -0.48 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.00 2a3y s LEU 30 CO 0.43 0.15 -0.00 0.00 0.23 0.00 0.00 176.35 177.16 2a3y n GLN 31 N 1.49 1.63 -4.18 1.70 10.64 -1.26 -2.70 117.38 124.70 2a3y n GLN 31 Ca -0.02 0.02 -0.16 0.00 -1.83 0.00 0.00 57.00 55.01 2a3y n GLN 31 Cb 0.47 -1.31 -0.14 0.00 -0.86 0.00 0.00 30.24 28.40 2a3y n GLN 31 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2a3y s ASN 32 N -4.73 0.66 0.02 2.61 0.01 -1.26 -0.90 114.94 111.35 2a3y s ASN 32 Ca -0.10 -0.10 -0.19 0.00 -0.71 0.00 0.00 52.86 51.76 2a3y s ASN 32 Cb 0.04 -0.08 0.04 0.00 0.41 0.00 0.00 41.25 41.66 2a3y s ASN 32 CO 0.46 0.07 0.43 0.72 -1.51 0.00 0.00 177.10 177.27 2a3y s PHE 33 N -0.10 -0.31 -0.04 2.20 -0.12 -0.89 -3.78 117.98 114.94 2a3y s PHE 33 Ca 0.02 0.38 0.02 0.00 -0.05 0.00 0.00 56.93 57.30 2a3y s PHE 33 Cb -0.03 0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.59 2a3y s PHE 33 CO -0.00 -0.54 -0.09 0.99 -0.05 0.00 0.00 175.22 175.53 2a3y s THR 34 N -2.01 0.85 -0.10 -4.49 2.01 -0.81 -1.41 115.64 109.69 2a3y s THR 34 Ca -0.08 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.56 2a3y s THR 34 Cb -0.02 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.74 2a3y s THR 34 CO 0.01 0.27 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.90 2a3y s LEU 35 N 0.41 1.38 0.04 4.42 2.96 0.32 -0.16 118.68 128.05 2a3y s LEU 35 Ca -0.07 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.60 2a3y s LEU 35 Cb -0.11 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 2a3y s LEU 35 CO 0.01 -0.06 -0.23 0.00 -1.32 0.00 0.00 176.35 174.75 2a3y s PHE 37 N -0.78 -0.19 -0.08 0.00 -0.12 -0.04 -0.06 117.98 116.71 2a3y s PHE 37 Ca 0.09 -0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.80 2a3y s PHE 37 Cb -0.09 0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 2a3y s PHE 37 CO 0.02 -1.07 -0.12 1.03 -0.05 0.00 0.00 175.22 175.02 2a3y s ARG 38 N -3.69 2.81 0.01 1.99 0.52 0.13 -0.57 118.95 120.15 2a3y s ARG 38 Ca 0.11 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.66 2a3y s ARG 38 Cb -0.04 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 2a3y s ARG 38 CO 0.04 0.51 -0.03 0.00 0.02 0.00 0.00 175.30 175.84 2a3y s ALA 39 N -0.43 0.21 -0.21 2.13 0.00 0.38 -1.32 121.76 122.52 2a3y s ALA 39 Ca 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 2a3y s ALA 39 Cb -0.12 0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.13 2a3y s ALA 39 CO 0.02 -0.04 0.19 -0.47 0.00 0.00 0.00 175.76 175.46 2a3y s TYR 40 N -0.76 -0.16 -0.01 0.00 5.04 -0.28 -0.24 117.35 120.94 2a3y s TYR 40 Ca -0.07 0.01 -0.06 0.00 -2.44 0.00 0.00 57.07 54.51 2a3y s TYR 40 Cb -0.05 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.78 2a3y s TYR 40 CO -0.00 -0.62 0.13 0.45 -1.34 0.00 0.00 175.55 174.16 2a3y s SER 41 N 2.28 0.01 -0.23 4.32 0.15 -1.26 -0.97 113.70 118.00 2a3y s SER 41 Ca 0.06 -0.15 0.13 0.00 0.70 0.00 0.00 55.95 56.69 2a3y s SER 41 Cb -0.16 0.21 0.49 0.00 -1.71 0.00 0.00 66.02 64.86 2a3y s SER 41 CO -0.15 -0.31 1.42 -0.90 1.20 0.00 0.00 173.24 174.50 2a3y n ASP 42 N 1.71 2.98 -4.75 5.45 5.68 -1.26 -4.55 116.55 121.82 2a3y n ASP 42 Ca -0.21 -3.43 -0.41 0.00 -0.50 0.00 0.00 54.79 50.24 2a3y n ASP 42 Cb 0.56 -0.58 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 2a3y n ASP 42 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2a3y s LEU 43 N -3.06 4.45 -0.12 -2.12 1.43 -1.26 -4.95 118.68 113.05 2a3y s LEU 43 Ca 0.42 2.39 0.10 0.00 -1.03 0.00 0.00 54.13 56.01 2a3y s LEU 43 Cb 0.37 -3.62 -0.23 0.00 0.03 0.00 0.00 46.19 42.73 2a3y s LEU 43 CO 0.03 -0.41 0.35 -1.20 0.23 0.00 0.00 176.35 175.35 2a3y n SER 44 N 1.96 0.94 -4.52 2.29 7.64 -1.26 -4.94 113.62 115.72 2a3y n SER 44 Ca 0.03 0.20 -0.29 0.00 1.01 0.00 0.00 58.87 59.83 2a3y n SER 44 Cb 0.43 0.08 0.18 0.00 -1.01 0.00 0.00 64.21 63.89 2a3y n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3y s ARG 45 N -2.55 0.32 0.52 1.43 1.70 -1.26 -4.56 118.95 114.55 2a3y s ARG 45 Ca -0.12 0.27 -0.21 0.00 -0.47 0.00 0.00 55.73 55.19 2a3y s ARG 45 Cb 0.07 -1.75 -0.06 0.00 -0.57 0.00 0.00 34.95 32.65 2a3y s ARG 45 CO 0.79 -2.75 1.21 0.00 -1.08 0.00 0.00 175.30 173.48 2a3y s ALA 46 N -3.13 2.80 0.06 7.88 0.00 -1.23 -4.80 121.76 123.34 2a3y s ALA 46 Ca 0.66 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 2a3y s ALA 46 Cb -0.15 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.59 2a3y s ALA 46 CO 0.56 -0.93 0.49 1.52 0.00 0.00 0.00 175.76 177.39 2a3y s TYR 47 N -1.54 -0.37 -0.04 0.00 -0.85 -0.52 -4.36 117.35 109.66 2a3y s TYR 47 Ca 0.70 0.35 -0.21 0.00 -0.52 0.00 0.00 57.07 57.39 2a3y s TYR 47 Cb -0.31 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.30 2a3y s TYR 47 CO 0.36 -0.64 0.61 0.45 -1.52 0.00 0.00 175.55 174.81 2a3y s SER 48 N -2.08 6.94 -0.23 -0.18 0.15 -0.66 -0.62 113.70 117.02 2a3y s SER 48 Ca -0.04 1.13 -0.18 0.00 0.70 0.00 0.00 55.95 57.56 2a3y s SER 48 Cb -0.00 -2.37 -0.15 0.00 -1.71 0.00 0.00 66.02 61.79 2a3y s SER 48 CO -0.03 0.03 -0.03 0.18 1.20 0.00 0.00 173.24 174.59 2a3y n LEU 49 N 3.14 1.89 -3.69 3.45 7.99 -0.19 -4.38 117.00 125.22 2a3y n LEU 49 Ca -0.05 0.41 -0.25 0.00 -0.01 0.00 0.00 56.01 56.11 2a3y n LEU 49 Cb 0.51 -0.90 -0.17 0.00 -0.11 0.00 0.00 43.42 42.75 2a3y n LEU 49 CO 0.45 0.29 -0.35 0.12 -1.51 0.00 0.00 177.39 176.38 2a3y s PHE 50 N -2.42 0.50 -0.22 -1.77 2.19 -1.10 -4.52 117.98 110.64 2a3y s PHE 50 Ca -0.31 -0.35 -0.04 0.00 0.33 0.00 0.00 56.93 56.57 2a3y s PHE 50 Cb 0.08 -0.77 -0.01 0.00 -1.31 0.00 0.00 43.02 41.01 2a3y s PHE 50 CO 0.52 -0.45 -0.05 0.45 1.83 0.00 0.00 175.22 177.52 2a3y s SER 51 N 2.03 4.30 -0.23 6.13 0.15 -0.90 -0.72 113.70 124.47 2a3y s SER 51 Ca 0.02 -0.38 -0.01 0.00 0.70 0.00 0.00 55.95 56.28 2a3y s SER 51 Cb -0.15 -1.73 0.06 0.00 -1.71 0.00 0.00 66.02 62.49 2a3y s SER 51 CO -0.07 -0.01 0.00 -0.47 1.20 0.00 0.00 173.24 173.89 2a3y s TYR 52 N 1.41 1.76 0.17 3.44 6.14 -0.00 -0.50 117.35 129.76 2a3y s TYR 52 Ca 0.05 -1.38 0.11 0.00 0.64 0.00 0.00 57.07 56.48 2a3y s TYR 52 Cb -0.14 -1.37 -0.04 0.00 0.42 0.00 0.00 41.96 40.82 2a3y s TYR 52 CO -0.03 -0.72 -0.24 -0.80 0.64 0.00 0.00 175.55 174.41 2a3y s ASN 53 N 1.61 3.23 0.48 4.32 -0.87 -0.88 -1.22 114.94 121.60 2a3y s ASN 53 Ca -0.02 -0.82 0.02 0.00 -1.57 0.00 0.00 52.86 50.47 2a3y s ASN 53 Cb -0.18 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.25 40.81 2a3y s ASN 53 CO -0.09 0.11 0.04 0.42 -2.57 0.00 0.00 177.10 175.01 2a3y s THR 54 N -1.52 1.05 -0.08 1.60 -4.23 -1.03 -0.31 115.64 111.12 2a3y s THR 54 Ca 0.17 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.39 2a3y s THR 54 Cb -0.08 -2.26 -0.07 0.00 1.34 0.00 0.00 72.50 71.43 2a3y s THR 54 CO 0.08 0.00 1.98 -1.10 -0.54 0.00 0.00 174.62 175.04 2a3y s GLN 55 N -3.82 3.80 0.00 3.99 -1.52 -1.26 -1.69 119.66 119.15 2a3y s GLN 55 Ca 0.12 2.30 0.00 0.00 -1.95 0.00 0.00 55.36 55.83 2a3y s GLN 55 Cb 0.02 -4.20 0.00 0.00 -0.22 0.00 0.00 33.01 28.61 2a3y s GLN 55 CO 0.07 -1.34 0.00 0.41 -0.25 0.00 0.00 175.29 174.18 2a3y n GLY 56 N 4.90 0.65 2.95 3.09 0.00 -1.26 -4.99 105.19 110.52 2a3y n GLY 56 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2a3y n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a3y s ARG 57 N -0.27 1.69 0.21 1.61 1.81 -0.68 -5.12 118.95 118.19 2a3y s ARG 57 Ca 0.00 -0.92 -0.13 0.00 -1.72 0.00 0.00 55.73 52.96 2a3y s ARG 57 Cb 0.00 -2.51 -0.07 0.00 -0.45 0.00 0.00 34.95 31.92 2a3y s ARG 57 CO 0.00 -0.55 0.59 0.34 -0.68 0.00 0.00 175.30 175.01 2a3y s ASP 58 N 1.41 6.78 -1.33 0.23 2.15 -1.26 -2.47 116.67 122.18 2a3y s ASP 58 Ca -0.04 1.09 -0.03 0.00 0.43 0.00 0.00 52.55 54.00 2a3y s ASP 58 Cb -0.18 -2.29 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2a3y s ASP 58 CO -0.07 -0.00 0.81 0.59 -0.17 0.00 0.00 175.17 176.33 2a3y n ASN 59 N 0.34 -2.09 -0.02 -0.34 3.02 -1.26 -4.14 115.26 110.76 2a3y n ASN 59 Ca -0.02 -0.77 -0.16 0.00 -0.03 0.00 0.00 54.58 53.60 2a3y n ASN 59 Cb 0.52 -4.22 -0.09 0.00 -0.61 0.00 0.00 39.78 35.39 2a3y n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2a3y h GLU 60 N -1.95 0.53 -2.32 3.52 4.57 -1.73 0.16 114.58 117.36 2a3y h GLU 60 Ca -0.60 -0.44 -0.34 0.00 -1.18 0.00 0.00 59.36 56.80 2a3y h GLU 60 Cb 1.36 0.09 -0.35 0.00 -0.16 0.00 0.00 28.75 29.70 2a3y h GLU 60 CO 0.57 1.07 -0.64 -1.17 -1.18 0.00 0.00 179.01 177.66 2a3y s LEU 61 N -8.56 -0.14 -0.06 1.64 2.96 -0.36 -1.22 118.68 112.94 2a3y s LEU 61 Ca -0.13 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 2a3y s LEU 61 Cb 0.06 0.41 0.01 0.00 0.50 0.00 0.00 46.19 47.17 2a3y s LEU 61 CO 0.83 -0.37 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.16 2a3y s LEU 62 N 2.33 1.61 -0.31 -0.68 2.96 -0.84 -0.82 118.68 122.93 2a3y s LEU 62 Ca 0.09 -0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 53.62 2a3y s LEU 62 Cb -0.15 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 2a3y s LEU 62 CO -0.26 0.02 0.15 -0.69 -1.32 0.00 0.00 176.35 174.26 2a3y s VAL 63 N 0.69 4.65 -0.06 1.68 1.01 0.10 -0.13 120.40 128.35 2a3y s VAL 63 Ca -0.14 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2a3y s VAL 63 Cb -0.16 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2a3y s VAL 63 CO 0.03 0.08 -0.15 -0.47 0.00 0.00 0.00 175.10 174.60 2a3y s TYR 64 N 1.63 1.64 -0.48 5.22 5.04 -0.47 -1.02 117.35 128.90 2a3y s TYR 64 Ca 0.05 -0.56 -0.11 0.00 -2.44 0.00 0.00 57.07 54.00 2a3y s TYR 64 Cb -0.17 -1.15 0.11 0.00 0.35 0.00 0.00 41.96 41.10 2a3y s TYR 64 CO 0.07 -0.24 0.37 0.21 -1.34 0.00 0.00 175.55 174.61 2a3y s LYS 65 N 0.38 2.67 0.10 4.97 2.20 0.21 -0.56 119.74 129.72 2a3y s LYS 65 Ca -0.11 -1.65 -0.14 0.00 -0.36 0.00 0.00 55.97 53.71 2a3y s LYS 65 Cb -0.14 -4.01 -0.08 0.00 -1.51 0.00 0.00 37.83 32.09 2a3y s LYS 65 CO 0.04 -1.16 1.42 0.93 -0.36 0.00 0.00 175.35 176.21 2a3y h GLU 66 N 8.58 0.72 -2.98 4.03 4.39 -1.82 -1.39 114.58 126.11 2a3y h GLU 66 Ca -0.24 -0.39 0.04 0.00 0.34 0.00 0.00 59.36 59.11 2a3y h GLU 66 Cb 1.09 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 2a3y h GLU 66 CO 0.88 1.01 0.26 -0.98 -1.16 0.00 0.00 179.01 179.02 2a3y s ARG 67 N -4.33 1.95 0.17 2.33 1.70 -1.26 -3.52 118.95 115.99 2a3y s ARG 67 Ca -0.12 -1.16 -0.33 0.00 -0.47 0.00 0.00 55.73 53.64 2a3y s ARG 67 Cb 0.09 0.61 -0.14 0.00 -0.57 0.00 0.00 34.95 34.94 2a3y s ARG 67 CO 0.84 -0.90 1.57 0.28 -1.08 0.00 0.00 175.30 176.00 2a3y n VAL 68 N -0.49 0.10 -0.96 4.99 0.31 -1.26 -2.17 118.33 118.85 2a3y n VAL 68 Ca -0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2a3y n VAL 68 Cb 0.59 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 2a3y n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a3y n GLY 69 N 3.31 0.60 2.81 2.92 0.00 -1.26 -5.01 105.19 108.56 2a3y n GLY 69 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2a3y n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3y s GLU 70 N -0.04 0.87 -0.10 1.61 2.02 -0.92 -0.64 118.70 121.49 2a3y s GLU 70 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 54.97 55.02 2a3y s GLU 70 Cb 0.00 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.09 2a3y s GLU 70 CO 0.00 -0.28 -0.21 0.71 0.02 0.00 0.00 175.26 175.50 2a3y s TYR 71 N 1.85 2.62 -0.04 1.61 1.51 -0.55 -3.44 117.35 120.91 2a3y s TYR 71 Ca 0.04 -0.87 0.02 0.00 -1.01 0.00 0.00 57.07 55.25 2a3y s TYR 71 Cb -0.12 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 2a3y s TYR 71 CO -0.06 -0.32 -0.09 -1.12 -1.11 0.00 0.00 175.55 172.85 2a3y s SER 72 N 0.25 4.46 -0.12 2.29 0.01 0.27 -1.34 113.70 119.52 2a3y s SER 72 Ca -0.14 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.04 2a3y s SER 72 Cb -0.17 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.01 2a3y s SER 72 CO 0.07 0.34 -0.21 -0.22 0.41 0.00 0.00 173.24 173.63 2a3y s LEU 73 N -0.94 2.22 -0.19 2.44 2.96 -0.21 -1.37 118.68 123.59 2a3y s LEU 73 Ca 0.13 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 2a3y s LEU 73 Cb -0.11 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 2a3y s LEU 73 CO 0.03 0.13 0.12 -0.31 -1.32 0.00 0.00 176.35 174.99 2a3y s TYR 74 N 0.55 3.40 -0.18 5.38 1.51 0.82 -1.39 117.35 127.44 2a3y s TYR 74 Ca -0.12 0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 56.24 2a3y s TYR 74 Cb -0.17 -2.12 0.04 0.00 -0.11 0.00 0.00 41.96 39.61 2a3y s TYR 74 CO 0.04 0.32 -0.07 0.42 -1.11 0.00 0.00 175.55 175.15 2a3y s ILE 75 N 0.20 1.30 -1.34 2.71 -1.09 -0.49 -1.99 121.20 120.51 2a3y s ILE 75 Ca 0.08 -0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 57.72 2a3y s ILE 75 Cb -0.11 -1.44 0.01 0.00 -1.58 0.00 0.00 42.46 39.34 2a3y s ILE 75 CO -0.01 0.14 0.72 0.61 -1.23 0.00 0.00 174.94 175.17 2a3y n GLY 76 N 4.81 -0.31 4.08 6.18 0.00 -0.36 -2.13 105.19 117.45 2a3y n GLY 76 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2a3y n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3y n ARG 77 N -4.34 0.00 -2.05 1.61 5.12 0.55 -4.97 116.66 112.60 2a3y n ARG 77 Ca -0.26 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.36 2a3y n ARG 77 Cb 0.66 -1.66 0.01 0.00 -1.16 0.00 0.00 32.46 30.30 2a3y n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2a3y s HIS 78 N -1.12 3.61 -0.02 -1.55 3.76 -0.90 -5.04 115.29 114.02 2a3y s HIS 78 Ca 0.00 1.21 0.03 0.00 -0.15 0.00 0.00 55.06 56.15 2a3y s HIS 78 Cb 0.00 -2.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.04 2a3y s HIS 78 CO 0.00 -0.59 -0.12 0.21 -0.85 0.00 0.00 174.74 173.39 2a3y s LYS 79 N -5.03 1.05 0.07 1.40 2.20 -1.26 -1.39 119.74 116.77 2a3y s LYS 79 Ca 0.54 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 2a3y s LYS 79 Cb -0.11 -0.99 -0.03 0.00 -1.51 0.00 0.00 37.83 35.19 2a3y s LYS 79 CO 0.51 0.22 -0.16 0.14 -0.36 0.00 0.00 175.35 175.70 2a3y s VAL 80 N -0.12 1.29 -0.02 4.02 -7.23 -0.48 -4.99 120.40 112.86 2a3y s VAL 80 Ca 0.02 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 2a3y s VAL 80 Cb -0.06 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.70 2a3y s VAL 80 CO 0.00 -0.10 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.77 2a3y s THR 81 N -1.12 0.34 0.09 5.32 2.01 -1.26 -1.05 115.64 119.98 2a3y s THR 81 Ca 0.01 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.02 2a3y s THR 81 Cb -0.09 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 2a3y s THR 81 CO 0.02 0.15 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.46 2a3y s SER 82 N 0.58 2.45 0.13 3.53 0.01 -0.45 -4.99 113.70 114.97 2a3y s SER 82 Ca -0.06 -0.65 0.06 0.00 1.31 0.00 0.00 55.95 56.61 2a3y s SER 82 Cb -0.10 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 2a3y s SER 82 CO -0.01 0.07 -0.01 -0.54 0.41 0.00 0.00 173.24 173.17 2a3y s LYS 83 N -1.74 2.45 -0.03 12.44 1.02 -1.26 -1.48 119.74 131.14 2a3y s LYS 83 Ca 0.06 -0.98 -0.14 0.00 0.02 0.00 0.00 55.97 54.93 2a3y s LYS 83 Cb -0.10 -2.44 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 2a3y s LYS 83 CO 0.04 0.50 0.30 0.54 -0.92 0.00 0.00 175.35 175.80 2a3y s VAL 84 N -1.50 0.05 -0.16 3.17 0.11 0.18 -4.75 120.40 117.50 2a3y s VAL 84 Ca 0.26 -0.41 -0.29 0.00 -2.93 0.00 0.00 61.98 58.61 2a3y s VAL 84 Cb -0.10 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2a3y s VAL 84 CO 0.18 -0.23 1.22 -0.63 -3.33 0.00 0.00 175.10 172.32 2a3y s ILE 85 N -1.09 4.34 -0.00 7.04 1.01 -1.26 -4.45 121.20 126.78 2a3y s ILE 85 Ca -0.11 1.62 -0.06 0.00 0.00 0.00 0.00 60.65 62.10 2a3y s ILE 85 Cb -0.05 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2a3y s ILE 85 CO 0.03 -0.13 0.12 -1.83 0.00 0.00 0.00 174.94 173.14 2a3y s GLU 86 N 3.32 0.44 0.68 2.79 -1.05 -1.26 -5.07 118.70 118.55 2a3y s GLU 86 Ca 0.53 -0.36 -0.11 0.00 -0.15 0.00 0.00 54.97 54.88 2a3y s GLU 86 Cb -0.21 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.66 2a3y s GLU 86 CO 0.14 -0.10 1.06 0.15 0.95 0.00 0.00 175.26 177.46 2a3y s LYS 87 N -1.25 3.01 -0.06 -4.83 1.02 -1.26 -4.88 119.74 111.49 2a3y s LYS 87 Ca -0.13 0.96 -0.03 0.00 0.02 0.00 0.00 55.97 56.79 2a3y s LYS 87 Cb -0.07 -2.00 0.04 0.00 -0.52 0.00 0.00 37.83 35.28 2a3y s LYS 87 CO 0.01 -1.04 0.14 0.12 -0.92 0.00 0.00 175.35 173.66 2a3y s PHE 88 N -3.01 -0.15 0.46 3.18 5.36 -1.26 -3.98 117.98 118.58 2a3y s PHE 88 Ca 0.58 0.46 -0.13 0.00 -0.96 0.00 0.00 56.93 56.88 2a3y s PHE 88 Cb -0.14 -0.09 -0.07 0.00 -0.34 0.00 0.00 43.02 42.38 2a3y s PHE 88 CO 0.53 -0.16 0.88 -2.14 -1.46 0.00 0.00 175.22 172.87 2a3y s PRO 89 N 1.15 3.86 -0.21 10.12 0.02 -1.26 -5.20 135.00 143.47 2a3y s PRO 89 Ca -0.09 0.71 -0.23 0.00 0.02 0.00 0.00 61.00 61.42 2a3y s PRO 89 Cb -0.11 -2.26 0.06 0.00 0.02 0.00 0.00 34.50 32.21 2a3y s PRO 89 CO -0.06 -0.16 0.63 0.00 -0.33 0.00 0.00 177.00 177.08 2a3y s ALA 90 N -2.51 -1.56 0.52 -1.55 0.00 -1.26 -5.11 121.76 110.30 2a3y s ALA 90 Ca 0.55 1.69 -0.23 0.00 0.00 0.00 0.00 51.96 53.97 2a3y s ALA 90 Cb -0.10 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 2a3y s ALA 90 CO 0.32 -0.30 1.38 -2.14 0.00 0.00 0.00 175.76 175.02 2a3y s PRO 91 N 0.14 3.28 0.00 0.00 0.02 -1.26 -4.64 135.00 132.54 2a3y s PRO 91 Ca -0.01 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.31 2a3y s PRO 91 Cb -0.04 -2.37 -0.01 0.00 0.02 0.00 0.00 34.50 32.11 2a3y s PRO 91 CO 0.02 -1.10 -0.03 0.54 -0.33 0.00 0.00 177.00 176.10 2a3y s VAL 92 N -1.27 0.18 -0.27 3.83 0.11 0.66 -5.00 120.40 118.64 2a3y s VAL 92 Ca 0.69 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 59.38 2a3y s VAL 92 Cb -0.42 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2a3y s VAL 92 CO 0.51 -0.06 0.10 -2.28 -3.33 0.00 0.00 175.10 170.03 2a3y s HIS 93 N -0.34 3.12 -0.21 1.54 2.46 -1.26 -0.47 115.29 120.12 2a3y s HIS 93 Ca -0.02 -0.52 -0.04 0.00 0.47 0.00 0.00 55.06 54.95 2a3y s HIS 93 Cb -0.03 -2.27 -0.01 0.00 -0.13 0.00 0.00 32.58 30.14 2a3y s HIS 93 CO -0.00 -0.41 -0.04 0.42 -2.47 0.00 0.00 174.74 172.24 2a3y s ILE 94 N 1.60 3.48 -0.06 0.89 1.01 0.26 -0.29 121.20 128.11 2a3y s ILE 94 Ca 0.05 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2a3y s ILE 94 Cb -0.16 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 2a3y s ILE 94 CO 0.04 0.43 -0.18 0.00 0.00 0.00 0.00 174.94 175.23 2a3y s VAL 96 N -0.48 0.05 0.14 0.00 0.11 0.42 0.78 120.40 121.42 2a3y s VAL 96 Ca 0.06 0.19 0.11 0.00 -2.93 0.00 0.00 61.98 59.40 2a3y s VAL 96 Cb -0.12 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2a3y s VAL 96 CO 0.01 0.13 -0.26 -0.94 -3.33 0.00 0.00 175.10 170.72 2a3y s SER 97 N 1.23 3.24 0.03 3.54 1.04 -0.03 -0.52 113.70 122.23 2a3y s SER 97 Ca -0.07 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 2a3y s SER 97 Cb -0.13 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 2a3y s SER 97 CO -0.03 0.15 -0.02 0.86 0.98 0.00 0.00 173.24 175.19 2a3y s TRP 98 N -1.18 0.29 -0.06 5.02 -0.00 -0.50 -0.66 118.94 121.85 2a3y s TRP 98 Ca 0.14 -0.60 -0.02 0.00 -0.00 0.00 0.00 56.10 55.62 2a3y s TRP 98 Cb -0.10 -0.22 0.04 0.00 -0.00 0.00 0.00 33.47 33.20 2a3y s TRP 98 CO 0.06 -0.24 0.10 -2.00 -0.00 0.00 0.00 176.95 174.88 2a3y s GLU 99 N -1.93 -0.01 0.10 5.86 2.12 -1.01 -2.09 118.70 121.73 2a3y s GLU 99 Ca -0.11 0.41 -0.16 0.00 0.36 0.00 0.00 54.97 55.47 2a3y s GLU 99 Cb -0.06 -0.34 -0.07 0.00 0.26 0.00 0.00 34.13 33.91 2a3y s GLU 99 CO -0.03 -0.28 1.46 1.03 -0.54 0.00 0.00 175.26 176.91 2a3y h SER 100 N 8.08 0.65 -0.58 -1.70 0.87 -1.31 0.49 113.55 120.04 2a3y h SER 100 Ca -0.22 -0.41 0.08 0.00 -1.23 0.00 0.00 61.79 60.02 2a3y h SER 100 Cb 1.12 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 2a3y h SER 100 CO 0.23 0.92 0.39 0.77 -0.53 0.00 0.00 176.83 178.61 2a3y h SER 101 N 0.38 0.40 0.00 6.23 4.64 -1.92 -0.27 113.55 123.01 2a3y h SER 101 Ca 0.07 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 2a3y h SER 101 Cb 0.67 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 2a3y h SER 101 CO 0.04 0.25 -1.70 -1.54 -0.87 0.00 0.00 176.83 173.02 2a3y n SER 102 N -4.47 2.34 0.00 4.97 3.41 -1.22 -4.72 113.62 113.93 2a3y n SER 102 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2a3y n SER 102 Cb 0.32 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 2a3y n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a3y n GLY 103 N 2.23 1.42 3.69 5.00 0.00 0.17 -4.76 105.19 112.94 2a3y n GLY 103 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2a3y n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a3y s ILE 104 N -2.96 2.96 -0.21 -0.61 -1.09 -1.19 -2.02 121.20 116.07 2a3y s ILE 104 Ca 0.00 0.48 -0.04 0.00 -2.23 0.00 0.00 60.65 58.86 2a3y s ILE 104 Cb 0.00 -3.31 -0.02 0.00 -1.58 0.00 0.00 42.46 37.56 2a3y s ILE 104 CO 0.00 0.01 -0.03 0.00 -1.23 0.00 0.00 174.94 173.69 2a3y s ALA 105 N 2.35 2.89 -0.27 9.38 0.00 0.15 -2.40 121.76 133.86 2a3y s ALA 105 Ca 0.73 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.57 2a3y s ALA 105 Cb -0.41 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.03 2a3y s ALA 105 CO 0.32 -0.26 0.03 -1.21 0.00 0.00 0.00 175.76 174.63 2a3y s GLU 106 N 1.20 3.06 -0.04 0.00 2.02 0.16 -1.78 118.70 123.33 2a3y s GLU 106 Ca 0.03 -0.86 -0.15 0.00 0.02 0.00 0.00 54.97 54.01 2a3y s GLU 106 Cb -0.14 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 2a3y s GLU 106 CO -0.00 -0.40 0.41 -0.06 0.02 0.00 0.00 175.26 175.24 2a3y s PHE 107 N 1.45 3.66 -0.13 1.61 0.08 -1.26 -0.85 117.98 122.54 2a3y s PHE 107 Ca 0.02 0.94 0.00 0.00 0.12 0.00 0.00 56.93 58.01 2a3y s PHE 107 Cb -0.17 -2.36 0.02 0.00 -0.57 0.00 0.00 43.02 39.95 2a3y s PHE 107 CO -0.00 0.50 -0.11 -1.58 -0.10 0.00 0.00 175.22 173.93 2a3y s TRP 108 N -0.55 1.82 -0.24 0.36 0.52 0.23 -0.30 118.94 120.80 2a3y s TRP 108 Ca 0.24 -0.97 -0.02 0.00 0.02 0.00 0.00 56.10 55.36 2a3y s TRP 108 Cb -0.16 -1.41 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2a3y s TRP 108 CO 0.12 -0.58 -0.06 0.42 0.02 0.00 0.00 176.95 176.87 2a3y s ILE 109 N 1.56 3.02 -1.46 2.03 -1.09 0.37 -0.36 121.20 125.27 2a3y s ILE 109 Ca 0.04 -0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 57.58 2a3y s ILE 109 Cb -0.13 -2.46 0.05 0.00 -1.58 0.00 0.00 42.46 38.34 2a3y s ILE 109 CO -0.09 0.30 0.67 0.59 -1.23 0.00 0.00 174.94 175.17 2a3y n ASN 110 N 4.72 -1.97 0.00 3.58 3.02 0.60 -1.17 115.26 124.04 2a3y n ASN 110 Ca -0.17 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2a3y n ASN 110 Cb 0.49 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 2a3y n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a3y n GLY 111 N -1.73 0.37 3.46 7.41 0.00 -1.26 -5.01 105.19 108.43 2a3y n GLY 111 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2a3y n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a3y s THR 112 N -1.79 3.76 0.14 2.61 2.01 -0.32 -4.93 115.64 117.12 2a3y s THR 112 Ca 0.00 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 2a3y s THR 112 Cb 0.00 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.79 2a3y s THR 112 CO 0.00 0.48 1.16 -2.16 -0.69 0.00 0.00 174.62 173.41 2a3y s PRO 113 N 0.54 4.52 0.70 4.92 0.04 -1.26 -0.48 135.00 143.97 2a3y s PRO 113 Ca -0.03 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 2a3y s PRO 113 Cb -0.14 -3.29 0.08 0.00 0.04 0.00 0.00 34.50 31.19 2a3y s PRO 113 CO 0.03 -0.07 0.98 -0.51 0.04 0.00 0.00 177.00 177.47 2a3y s LEU 114 N 0.09 2.94 0.12 -3.56 1.43 0.59 -4.93 118.68 115.37 2a3y s LEU 114 Ca 0.53 0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 53.49 2a3y s LEU 114 Cb -0.30 -2.75 -0.10 0.00 0.03 0.00 0.00 46.19 43.06 2a3y s LEU 114 CO 0.34 -1.65 1.78 -0.69 0.23 0.00 0.00 176.35 176.35 2a3y s VAL 115 N -3.18 2.58 0.27 -1.59 1.01 -1.26 -4.67 120.40 113.57 2a3y s VAL 115 Ca 0.62 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 2a3y s VAL 115 Cb -0.09 -3.09 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 2a3y s VAL 115 CO 0.44 0.00 1.56 -0.54 0.00 0.00 0.00 175.10 176.56 2a3y s LYS 116 N 2.50 4.16 0.46 2.72 1.02 -1.26 -4.74 119.74 124.61 2a3y s LYS 116 Ca 0.79 2.50 0.04 0.00 0.02 0.00 0.00 55.97 59.32 2a3y s LYS 116 Cb -0.45 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2a3y s LYS 116 CO 0.35 -0.58 0.01 0.15 -0.92 0.00 0.00 175.35 174.35 2a3y s LYS 117 N -0.34 2.08 -0.04 1.68 -0.14 -0.73 -4.97 119.74 117.28 2a3y s LYS 117 Ca 0.63 -2.26 -0.07 0.00 -1.36 0.00 0.00 55.97 52.91 2a3y s LYS 117 Cb -0.46 -1.56 0.01 0.00 -1.68 0.00 0.00 37.83 34.14 2a3y s LYS 117 CO 0.45 -0.22 0.17 0.20 -0.76 0.00 0.00 175.35 175.20 2a3y s GLY 118 N -3.80 -0.08 -0.17 -3.33 0.00 -1.26 0.31 107.32 99.00 2a3y s GLY 118 Ca 0.19 0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.93 2a3y s GLY 118 CO 0.10 0.20 0.90 0.48 0.00 0.00 0.00 173.10 174.78 2a3y s LEU 119 N -0.44 -0.49 -1.29 0.66 2.34 -0.86 -4.93 118.68 113.66 2a3y s LEU 119 Ca -0.05 0.68 -0.06 0.00 0.06 0.00 0.00 54.13 54.76 2a3y s LEU 119 Cb -0.03 2.09 -0.00 0.00 -0.56 0.00 0.00 46.19 47.68 2a3y s LEU 119 CO 0.01 -0.36 0.62 0.54 -1.06 0.00 0.00 176.35 176.10 2a3y n ARG 120 N 1.28 -3.26 -1.86 1.48 1.74 -1.26 -4.60 116.66 110.17 2a3y n ARG 120 Ca -0.13 0.50 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 2a3y n ARG 120 Cb 0.57 -4.68 -0.03 0.00 -1.02 0.00 0.00 32.46 27.31 2a3y n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2a3y s GLN 121 N -6.15 4.18 0.00 5.56 0.74 -1.26 -2.39 119.66 120.35 2a3y s GLN 121 Ca 0.14 2.46 0.00 0.00 0.05 0.00 0.00 55.36 58.00 2a3y s GLN 121 Cb -0.05 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.97 2a3y s GLN 121 CO 0.85 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 175.39 2a3y n GLY 122 N 3.16 3.24 3.79 2.59 0.00 -0.12 -4.99 105.19 112.84 2a3y n GLY 122 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2a3y n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3y s TYR 123 N -2.07 2.80 -0.09 1.61 5.04 -1.00 -4.99 117.35 118.64 2a3y s TYR 123 Ca 0.00 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.19 2a3y s TYR 123 Cb 0.00 -3.07 0.01 0.00 0.35 0.00 0.00 41.96 39.24 2a3y s TYR 123 CO 0.00 -1.44 -0.20 -0.06 -1.34 0.00 0.00 175.55 172.51 2a3y s PHE 124 N -2.48 2.21 -0.02 4.97 0.08 -1.26 -4.75 117.98 116.73 2a3y s PHE 124 Ca 0.64 -0.91 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 2a3y s PHE 124 Cb -0.18 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 2a3y s PHE 124 CO 0.42 -0.40 1.30 0.14 -0.10 0.00 0.00 175.22 176.58 2a3y s VAL 125 N 0.52 3.96 0.62 -0.44 -7.23 -1.10 -4.88 120.40 111.85 2a3y s VAL 125 Ca -0.16 1.33 -0.19 0.00 -1.81 0.00 0.00 61.98 61.15 2a3y s VAL 125 Cb -0.17 -3.85 -0.02 0.00 0.56 0.00 0.00 36.38 32.90 2a3y s VAL 125 CO 0.06 0.01 1.30 -1.61 -0.31 0.00 0.00 175.10 174.55 2a3y s GLU 126 N 2.17 2.70 0.02 4.82 0.41 -1.26 -2.11 118.70 125.45 2a3y s GLU 126 Ca 0.60 2.07 -0.00 0.00 -0.41 0.00 0.00 54.97 57.23 2a3y s GLU 126 Cb -0.28 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 2a3y s GLU 126 CO 0.25 -1.48 0.03 0.00 -0.49 0.00 0.00 175.26 173.56 2a3y n ALA 127 N -1.71 -0.00 -3.68 5.21 0.00 -1.26 -4.70 120.51 114.37 2a3y n ALA 127 Ca 0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 2a3y n ALA 127 Cb 0.48 0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.97 2a3y n ALA 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a3y n GLN 128 N -1.05 -2.21 -2.68 0.00 6.02 -0.82 -4.79 117.38 111.85 2a3y n GLN 128 Ca 0.00 0.52 -0.27 0.00 -0.01 0.00 0.00 57.00 57.24 2a3y n GLN 128 Cb 0.02 -4.53 -0.00 0.00 1.02 0.00 0.00 30.24 26.75 2a3y n GLN 128 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a3y s PRO 129 N -5.89 3.55 -0.31 -1.09 0.04 -1.26 -4.60 135.00 125.43 2a3y s PRO 129 Ca 0.33 0.18 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 2a3y s PRO 129 Cb -0.11 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.07 2a3y s PRO 129 CO 0.84 -0.18 0.09 0.21 0.04 0.00 0.00 177.00 178.00 2a3y s LYS 130 N -4.69 2.87 -0.24 4.56 2.47 0.58 -4.84 119.74 120.45 2a3y s LYS 130 Ca 0.47 -1.01 -0.07 0.00 -1.56 0.00 0.00 55.97 53.80 2a3y s LYS 130 Cb -0.10 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 2a3y s LYS 130 CO 0.44 -0.54 0.06 0.42 0.16 0.00 0.00 175.35 175.88 2a3y s ILE 131 N 1.45 4.27 0.03 5.43 1.01 -1.26 -2.08 121.20 130.06 2a3y s ILE 131 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.54 2a3y s ILE 131 Cb -0.18 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 2a3y s ILE 131 CO 0.02 0.36 -0.21 0.68 0.00 0.00 0.00 174.94 175.79 2a3y s VAL 132 N 1.46 1.71 -0.01 2.92 -7.23 0.34 0.12 120.40 119.72 2a3y s VAL 132 Ca 0.06 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.10 2a3y s VAL 132 Cb -0.15 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 2a3y s VAL 132 CO 0.03 0.27 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.22 2a3y s LEU 133 N -1.06 2.95 0.00 1.32 1.02 0.37 -2.11 118.68 121.17 2a3y s LEU 133 Ca 0.08 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.03 2a3y s LEU 133 Cb -0.09 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.44 2a3y s LEU 133 CO 0.01 0.30 0.00 0.61 0.02 0.00 0.00 176.35 177.29 2a3y n GLY 134 N 1.81 2.98 3.15 -3.19 0.00 -1.26 -0.78 105.19 107.89 2a3y n GLY 134 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 2a3y n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a3y s GLN 135 N -0.79 0.77 -0.26 1.61 -1.52 -1.26 -1.97 119.66 116.25 2a3y s GLN 135 Ca 0.00 -1.20 -0.10 0.00 -1.95 0.00 0.00 55.36 52.11 2a3y s GLN 135 Cb 0.00 0.26 -0.05 0.00 -0.22 0.00 0.00 33.01 33.00 2a3y s GLN 135 CO 0.00 -0.20 0.16 -2.00 -0.25 0.00 0.00 175.29 173.00 2a3y s GLU 136 N -3.93 3.99 0.12 2.91 -6.30 -1.26 -4.65 118.70 109.56 2a3y s GLU 136 Ca 0.11 -0.31 -0.30 0.00 -2.50 0.00 0.00 54.97 51.97 2a3y s GLU 136 Cb 0.07 -3.57 -0.06 0.00 0.00 0.00 0.00 34.13 30.57 2a3y s GLU 136 CO -0.07 -0.06 1.03 -0.65 0.02 0.00 0.00 175.26 175.53 2a3y s GLN 137 N 1.39 4.63 0.00 4.30 -0.21 -1.26 -3.89 119.66 124.62 2a3y s GLN 137 Ca 0.07 1.56 0.06 0.00 0.02 0.00 0.00 55.36 57.07 2a3y s GLN 137 Cb -0.15 -3.35 0.03 0.00 1.00 0.00 0.00 33.01 30.54 2a3y s GLN 137 CO 0.07 0.10 0.60 -0.25 -2.12 0.00 0.00 175.29 173.70 2a3y n ASP 138 N 2.88 1.27 -2.19 5.90 8.00 -0.82 -4.68 116.55 126.91 2a3y n ASP 138 Ca 0.03 -1.14 -0.10 0.00 0.71 0.00 0.00 54.79 54.30 2a3y n ASP 138 Cb 0.48 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 2a3y n ASP 138 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2a3y n SER 139 N 0.07 0.20 -4.58 -2.24 3.41 -1.05 -4.85 113.62 104.58 2a3y n SER 139 Ca 0.03 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.26 2a3y n SER 139 Cb 0.14 0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 64.71 2a3y n SER 139 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2a3y s TYR 140 N -2.46 2.66 0.00 7.33 5.04 -1.26 -3.79 117.35 124.87 2a3y s TYR 140 Ca 0.15 -1.33 0.00 0.00 -2.44 0.00 0.00 57.07 53.45 2a3y s TYR 140 Cb 0.01 -4.65 0.00 0.00 0.35 0.00 0.00 41.96 37.67 2a3y s TYR 140 CO 0.10 -1.72 0.00 0.41 -1.34 0.00 0.00 175.55 173.00 2a3y n GLY 141 N 5.47 1.09 0.00 8.97 0.00 -1.26 -5.02 105.19 114.43 2a3y n GLY 141 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2a3y n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3y n GLY 142 N -1.07 4.73 3.25 -0.02 0.00 -1.25 -5.03 105.19 105.79 2a3y n GLY 142 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 2a3y n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a3y n LYS 143 N 0.00 -1.58 -2.85 1.61 4.01 -1.26 -2.16 118.16 115.93 2a3y n LYS 143 Ca 0.00 1.14 -0.25 0.00 -0.51 0.00 0.00 58.31 58.68 2a3y n LYS 143 Cb 0.00 -5.27 0.01 0.00 -0.51 0.00 0.00 35.03 29.26 2a3y n LYS 143 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2a3y s PHE 144 N -3.16 3.40 -0.11 2.13 0.08 -1.26 -1.94 117.98 117.12 2a3y s PHE 144 Ca 0.18 0.53 0.01 0.00 0.12 0.00 0.00 56.93 57.77 2a3y s PHE 144 Cb -0.04 -2.29 0.02 0.00 -0.57 0.00 0.00 43.02 40.14 2a3y s PHE 144 CO 0.77 -0.31 -0.12 0.34 -0.10 0.00 0.00 175.22 175.81 2a3y s ASP 145 N -4.16 2.27 0.18 1.36 -1.08 -1.25 -5.01 116.67 108.98 2a3y s ASP 145 Ca 0.47 -0.37 -0.14 0.00 -0.52 0.00 0.00 52.55 52.00 2a3y s ASP 145 Cb -0.10 -0.97 0.13 0.00 -1.46 0.00 0.00 42.92 40.52 2a3y s ASP 145 CO 0.41 -0.05 1.77 -0.09 0.52 0.00 0.00 175.17 177.73 2a3y h ARG 146 N 7.74 0.40 0.00 4.34 2.43 -1.92 -1.66 114.38 125.71 2a3y h ARG 146 Ca -0.32 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2a3y h ARG 146 Cb 1.15 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2a3y h ARG 146 CO 0.46 0.26 0.00 -1.13 -1.51 0.00 0.00 179.97 178.06 2a3y n SER 147 N -4.94 0.00 -0.11 -3.80 3.41 -1.26 -1.99 113.62 104.92 2a3y n SER 147 Ca 0.04 -0.34 0.01 0.00 -0.26 0.00 0.00 58.87 58.32 2a3y n SER 147 Cb 0.15 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 2a3y n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3y n GLN 148 N -1.10 -0.17 -2.32 4.33 6.02 -0.67 -4.56 117.38 118.90 2a3y n GLN 148 Ca 0.11 -0.78 -0.40 0.00 -0.01 0.00 0.00 57.00 55.93 2a3y n GLN 148 Cb 0.09 -1.05 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 2a3y n GLN 148 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2a3y s SER 149 N -0.31 6.86 -0.25 1.08 1.04 -0.84 -1.66 113.70 119.62 2a3y s SER 149 Ca 0.03 2.39 -0.22 0.00 0.48 0.00 0.00 55.95 58.64 2a3y s SER 149 Cb 0.02 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.50 2a3y s SER 149 CO 0.03 -0.44 0.70 0.12 0.98 0.00 0.00 173.24 174.63 2a3y s PHE 150 N -1.26 3.29 -0.22 5.02 5.36 -0.83 -4.76 117.98 124.58 2a3y s PHE 150 Ca 0.50 0.93 -0.04 0.00 -0.96 0.00 0.00 56.93 57.36 2a3y s PHE 150 Cb -0.33 -2.92 -0.01 0.00 -0.34 0.00 0.00 43.02 39.42 2a3y s PHE 150 CO 0.43 -0.36 -0.04 0.08 -1.46 0.00 0.00 175.22 173.88 2a3y s VAL 151 N 2.63 3.47 -4.77 3.12 1.01 -1.26 -4.80 120.40 119.80 2a3y s VAL 151 Ca 0.29 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2a3y s VAL 151 Cb -0.15 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2a3y s VAL 151 CO 0.08 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2a3y n GLY 152 N 4.70 0.41 3.06 4.51 0.00 -0.52 -4.39 105.19 112.96 2a3y n GLY 152 Ca -0.18 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 2a3y n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3y s GLU 153 N -2.00 1.51 -0.07 1.61 2.02 -0.14 -0.23 118.70 121.40 2a3y s GLU 153 Ca 0.00 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.57 2a3y s GLU 153 Cb 0.00 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.92 2a3y s GLU 153 CO 0.00 0.14 -0.18 0.42 0.02 0.00 0.00 175.26 175.66 2a3y s ILE 154 N 0.27 1.55 0.32 -1.63 1.01 -0.44 -1.13 121.20 121.15 2a3y s ILE 154 Ca -0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 2a3y s ILE 154 Cb -0.12 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.00 2a3y s ILE 154 CO 0.02 0.45 0.48 -0.83 0.00 0.00 0.00 174.94 175.06 2a3y s GLY 155 N 0.33 1.21 -1.52 6.18 0.00 -0.44 -0.58 107.32 112.51 2a3y s GLY 155 Ca -0.12 -1.34 -0.08 0.00 0.00 0.00 0.00 44.72 43.17 2a3y s GLY 155 CO 0.05 -0.90 0.62 1.22 0.00 0.00 0.00 173.10 174.10 2a3y n ASP 156 N -1.14 -1.93 -4.67 1.64 8.00 -1.26 0.20 116.55 117.39 2a3y n ASP 156 Ca -0.00 -0.98 -0.43 0.00 0.71 0.00 0.00 54.79 54.10 2a3y n ASP 156 Cb 0.62 -3.08 -0.02 0.00 -0.02 0.00 0.00 41.12 38.61 2a3y n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a3y s LEU 157 N -7.11 4.19 0.02 0.64 1.98 -1.26 -3.83 118.68 113.31 2a3y s LEU 157 Ca 0.34 1.54 0.01 0.00 -2.89 0.00 0.00 54.13 53.14 2a3y s LEU 157 Cb -0.18 -3.55 -0.01 0.00 0.66 0.00 0.00 46.19 43.11 2a3y s LEU 157 CO 0.89 -0.60 -0.04 -0.31 -1.89 0.00 0.00 176.35 174.40 2a3y s TYR 158 N 2.72 0.34 -0.04 5.38 1.51 0.91 -1.79 117.35 126.39 2a3y s TYR 158 Ca 0.49 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2a3y s TYR 158 Cb -0.19 -0.22 0.03 0.00 -0.11 0.00 0.00 41.96 41.47 2a3y s TYR 158 CO 0.14 -0.09 0.05 1.41 -1.11 0.00 0.00 175.55 175.95 2a3y s MET 159 N -0.91 0.01 0.25 -0.62 1.75 0.25 -0.48 119.30 119.54 2a3y s MET 159 Ca -0.07 0.33 0.06 0.00 -1.25 0.00 0.00 55.69 54.76 2a3y s MET 159 Cb -0.06 -0.55 -0.03 0.00 2.84 0.00 0.00 34.83 37.03 2a3y s MET 159 CO -0.00 -0.31 0.27 -1.58 -0.65 0.00 0.00 175.02 172.74 2a3y s TRP 160 N 2.07 3.24 -0.46 4.11 0.51 0.77 -1.87 118.94 127.32 2a3y s TRP 160 Ca 0.04 -0.08 0.13 0.00 -2.12 0.00 0.00 56.10 54.07 2a3y s TRP 160 Cb -0.12 -1.48 0.73 0.00 -0.81 0.00 0.00 33.47 31.78 2a3y s TRP 160 CO -0.03 0.48 1.61 -0.40 -0.51 0.00 0.00 176.95 178.10 2a3y n ASP 161 N -1.28 5.14 -4.20 2.95 5.75 -1.26 -1.92 116.55 121.72 2a3y n ASP 161 Ca -0.08 -2.77 -0.12 0.00 -0.01 0.00 0.00 54.79 51.81 2a3y n ASP 161 Cb 0.58 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.91 2a3y n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a3y s SER 162 N -0.72 0.79 -0.33 -1.12 1.04 -1.25 -4.35 113.70 107.76 2a3y s SER 162 Ca 0.49 -1.20 -0.25 0.00 0.48 0.00 0.00 55.95 55.46 2a3y s SER 162 Cb 0.36 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2a3y s SER 162 CO 0.16 -0.66 0.88 -0.69 0.98 0.00 0.00 173.24 173.91 2a3y s VAL 163 N -3.85 4.68 0.14 5.02 1.01 -1.26 -2.71 120.40 123.43 2a3y s VAL 163 Ca 0.25 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 2a3y s VAL 163 Cb 0.07 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 2a3y s VAL 163 CO 0.04 -0.37 1.10 -0.76 0.00 0.00 0.00 175.10 175.10 2a3y s LEU 164 N 3.22 4.46 0.69 3.92 1.02 -1.26 -5.04 118.68 125.69 2a3y s LEU 164 Ca 0.36 2.03 -0.13 0.00 0.02 0.00 0.00 54.13 56.41 2a3y s LEU 164 Cb -0.13 -3.60 0.02 0.00 0.02 0.00 0.00 46.19 42.50 2a3y s LEU 164 CO 0.15 -0.26 1.10 -2.16 0.02 0.00 0.00 176.35 175.19 2a3y s PRO 165 N 0.02 2.66 0.37 1.29 0.04 -1.26 -4.82 135.00 133.30 2a3y s PRO 165 Ca 0.51 1.30 0.16 0.00 0.04 0.00 0.00 61.00 63.01 2a3y s PRO 165 Cb -0.28 -1.94 1.03 0.00 0.04 0.00 0.00 34.50 33.35 2a3y s PRO 165 CO 0.33 -1.34 1.75 -1.35 0.04 0.00 0.00 177.00 176.43 2a3y h PRO 166 N -0.33 0.44 -0.31 0.56 0.11 -2.00 0.73 132.00 131.20 2a3y h PRO 166 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2a3y h PRO 166 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2a3y h PRO 166 CO 0.53 0.29 -0.11 1.05 -0.21 0.00 0.00 178.00 179.56 2a3y h GLU 167 N 0.45 0.53 0.00 1.05 9.09 -2.00 -2.44 114.58 121.27 2a3y h GLU 167 Ca 0.62 -0.15 -0.15 0.00 0.05 0.00 0.00 59.36 59.73 2a3y h GLU 167 Cb 1.43 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 28.45 2a3y h GLU 167 CO -0.36 0.63 -0.74 -0.91 0.05 0.00 0.00 179.01 177.68 2a3y h ASN 168 N 0.49 0.00 -0.26 3.06 4.21 -1.23 -2.99 115.58 118.86 2a3y h ASN 168 Ca 0.09 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.41 2a3y h ASN 168 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2a3y h ASN 168 CO 0.03 0.70 -0.56 0.40 -1.29 0.00 0.00 177.43 176.70 2a3y h ILE 169 N 0.00 1.28 -0.18 2.81 1.08 -1.33 -3.08 117.51 118.09 2a3y h ILE 169 Ca -0.02 -1.75 -0.06 0.00 -0.39 0.00 0.00 64.86 62.64 2a3y h ILE 169 Cb 1.55 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 2a3y h ILE 169 CO 0.09 0.57 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.89 2a3y h LEU 170 N 0.62 0.28 -0.26 1.44 3.38 -1.46 -1.05 115.31 118.26 2a3y h LEU 170 Ca 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2a3y h LEU 170 Cb 1.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2a3y h LEU 170 CO 0.12 0.47 0.08 -1.28 0.09 0.00 0.00 178.44 177.92 2a3y h SER 171 N 0.28 0.38 -0.51 -0.43 0.87 -1.54 -0.44 113.55 112.15 2a3y h SER 171 Ca 0.05 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.33 2a3y h SER 171 Cb 0.45 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2a3y h SER 171 CO 0.03 0.49 0.04 0.00 -0.53 0.00 0.00 176.83 176.86 2a3y h ALA 172 N 0.91 1.02 -0.60 6.23 0.00 -1.38 0.36 119.26 125.80 2a3y h ALA 172 Ca 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2a3y h ALA 172 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2a3y h ALA 172 CO -0.00 0.61 0.07 -0.92 0.00 0.00 0.00 179.25 179.01 2a3y h TYR 173 N 0.86 1.06 0.00 0.00 3.20 -1.15 -2.74 116.97 118.21 2a3y h TYR 173 Ca 0.17 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2a3y h TYR 173 Cb 0.46 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2a3y h TYR 173 CO 0.03 0.92 0.00 1.04 -1.64 0.00 0.00 178.16 178.50 2a3y n GLN 174 N -4.21 0.10 -0.12 1.82 6.02 -0.18 -4.86 117.38 115.94 2a3y n GLN 174 Ca 0.04 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2a3y n GLN 174 Cb 0.30 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.06 2a3y n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a3y n GLY 175 N 0.19 0.94 2.52 1.08 0.00 -0.92 -5.02 105.19 103.97 2a3y n GLY 175 Ca 0.06 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2a3y n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a3y n THR 176 N -2.12 1.23 -2.73 2.61 -2.24 0.07 -5.00 114.28 106.09 2a3y n THR 176 Ca 0.00 -4.71 -0.34 0.00 -2.27 0.00 0.00 64.05 56.73 2a3y n THR 176 Cb 0.00 -2.05 -0.06 0.00 -2.10 0.00 0.00 70.33 66.12 2a3y n THR 176 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a3y s PRO 177 N -1.68 4.18 0.40 -0.78 0.04 -1.25 -3.83 135.00 132.08 2a3y s PRO 177 Ca 0.34 1.23 -0.25 0.00 0.04 0.00 0.00 61.00 62.37 2a3y s PRO 177 Cb 0.09 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 2a3y s PRO 177 CO -0.10 -0.08 1.10 -0.51 0.04 0.00 0.00 177.00 177.46 2a3y s LEU 178 N -3.04 4.18 0.48 -3.56 1.02 -1.26 -4.96 118.68 111.53 2a3y s LEU 178 Ca 0.61 2.18 -0.23 0.00 0.02 0.00 0.00 54.13 56.71 2a3y s LEU 178 Cb -0.13 -4.09 -0.08 0.00 0.02 0.00 0.00 46.19 41.90 2a3y s LEU 178 CO 0.17 -0.57 1.14 -2.65 0.02 0.00 0.00 176.35 174.47 2a3y n PRO 179 N 0.03 1.51 -4.73 1.29 -0.02 -1.26 -5.01 135.00 126.81 2a3y n PRO 179 Ca 0.05 0.55 -0.27 0.00 -2.02 0.00 0.00 63.50 61.80 2a3y n PRO 179 Cb 0.48 -2.26 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 2a3y n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a3y s ALA 180 N -1.30 1.97 -0.28 3.55 0.00 -1.26 -5.01 121.76 119.43 2a3y s ALA 180 Ca 0.66 -1.16 0.23 0.00 0.00 0.00 0.00 51.96 51.69 2a3y s ALA 180 Cb -0.49 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 2a3y s ALA 180 CO 0.54 0.45 0.99 0.27 0.00 0.00 0.00 175.76 178.02 2a3y n ASN 181 N 1.78 0.71 -0.13 0.00 0.23 -1.21 -4.42 115.26 112.23 2a3y n ASN 181 Ca -0.17 0.22 -0.27 0.00 -0.53 0.00 0.00 54.58 53.83 2a3y n ASN 181 Cb 0.53 0.65 -0.09 0.00 -2.08 0.00 0.00 39.78 38.79 2a3y n ASN 181 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2a3y n ILE 182 N -2.51 1.53 -4.23 1.53 5.41 -0.78 -4.98 119.36 115.33 2a3y n ILE 182 Ca -0.00 -0.31 -0.19 0.00 1.00 0.00 0.00 62.75 63.25 2a3y n ILE 182 Cb 0.53 -1.95 -0.16 0.00 -0.71 0.00 0.00 39.64 37.35 2a3y n ILE 182 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2a3y s LEU 183 N -7.58 1.57 -0.08 1.39 1.02 -1.07 -4.87 118.68 109.06 2a3y s LEU 183 Ca -0.37 -0.14 -0.02 0.00 0.02 0.00 0.00 54.13 53.62 2a3y s LEU 183 Cb 0.13 -0.45 0.03 0.00 0.02 0.00 0.00 46.19 45.93 2a3y s LEU 183 CO 0.48 -0.00 0.03 -0.62 0.02 0.00 0.00 176.35 176.26 2a3y s ASP 184 N 0.54 1.65 0.52 2.29 -1.08 -1.26 -0.59 116.67 118.75 2a3y s ASP 184 Ca -0.07 -0.16 0.23 0.00 -0.52 0.00 0.00 52.55 52.03 2a3y s ASP 184 Cb -0.11 -0.34 1.41 0.00 -1.46 0.00 0.00 42.92 42.42 2a3y s ASP 184 CO 0.00 -0.24 2.11 -0.25 0.52 0.00 0.00 175.17 177.32 2a3y h TRP 185 N 8.37 0.00 -0.00 -5.34 2.91 -1.71 -0.87 115.95 119.30 2a3y h TRP 185 Ca -0.16 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.86 2a3y h TRP 185 Cb 1.13 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.78 2a3y h TRP 185 CO 0.43 0.09 -0.06 1.04 -1.03 0.00 0.00 178.44 178.90 2a3y n GLN 186 N -4.01 0.72 -2.76 2.65 6.02 -1.26 -1.47 117.38 117.27 2a3y n GLN 186 Ca -0.02 -0.18 -0.09 0.00 -0.01 0.00 0.00 57.00 56.70 2a3y n GLN 186 Cb 0.18 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.00 2a3y n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3y n ALA 187 N -0.98 -1.08 -2.79 -1.58 0.00 -0.42 -3.98 120.51 109.68 2a3y n ALA 187 Ca 0.16 -1.49 -0.35 0.00 0.00 0.00 0.00 53.44 51.76 2a3y n ALA 187 Cb 0.25 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 2a3y n ALA 187 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2a3y s LEU 188 N -1.26 3.83 -0.33 0.00 2.96 0.53 -2.50 118.68 121.91 2a3y s LEU 188 Ca 0.29 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.28 2a3y s LEU 188 Cb 0.25 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 2a3y s LEU 188 CO -0.18 0.30 0.18 0.21 -1.32 0.00 0.00 176.35 175.54 2a3y s ASN 189 N -0.41 5.67 0.24 3.68 2.47 -1.26 -1.31 114.94 124.02 2a3y s ASN 189 Ca 0.09 -0.60 0.01 0.00 0.42 0.00 0.00 52.86 52.78 2a3y s ASN 189 Cb -0.12 -2.03 -0.05 0.00 -1.45 0.00 0.00 41.25 37.60 2a3y s ASN 189 CO 0.02 -0.24 0.11 -0.72 -3.72 0.00 0.00 177.10 172.55 2a3y s TYR 190 N 1.62 1.44 -0.07 0.43 1.13 -1.26 -2.12 117.35 118.52 2a3y s TYR 190 Ca 0.04 -1.25 -0.02 0.00 -1.41 0.00 0.00 57.07 54.43 2a3y s TYR 190 Cb -0.18 -0.80 0.04 0.00 -1.10 0.00 0.00 41.96 39.92 2a3y s TYR 190 CO 0.07 -0.43 0.06 -1.21 -2.51 0.00 0.00 175.55 171.53 2a3y s GLU 191 N -4.06 0.03 -0.07 -3.49 2.02 0.04 -4.94 118.70 108.23 2a3y s GLU 191 Ca 0.38 0.26 -0.23 0.00 0.02 0.00 0.00 54.97 55.40 2a3y s GLU 191 Cb 0.07 -0.80 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 2a3y s GLU 191 CO 0.13 -0.39 0.69 0.42 0.02 0.00 0.00 175.26 176.14 2a3y s ILE 192 N 2.14 5.05 -0.08 -1.63 1.01 -1.26 -0.16 121.20 126.27 2a3y s ILE 192 Ca 0.04 1.43 0.01 0.00 0.00 0.00 0.00 60.65 62.14 2a3y s ILE 192 Cb -0.13 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.33 2a3y s ILE 192 CO -0.04 0.25 -0.10 -0.13 0.00 0.00 0.00 174.94 174.92 2a3y s ARG 193 N 0.79 1.61 3.07 2.79 1.81 0.32 -4.99 118.95 124.35 2a3y s ARG 193 Ca 0.37 -0.35 0.00 0.00 -1.72 0.00 0.00 55.73 54.04 2a3y s ARG 193 Cb -0.18 -1.45 0.00 0.00 -0.45 0.00 0.00 34.95 32.87 2a3y s ARG 193 CO 0.18 -0.09 0.00 0.41 -0.68 0.00 0.00 175.30 175.12 2a3y n GLY 194 N 4.23 -0.34 3.49 -3.53 0.00 -1.26 -0.98 105.19 106.80 2a3y n GLY 194 Ca -0.19 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 2a3y n GLY 194 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3y s TYR 195 N 0.00 3.07 -0.06 1.61 5.04 -1.26 -4.93 117.35 120.83 2a3y s TYR 195 Ca 0.00 -1.51 -0.00 0.00 -2.44 0.00 0.00 57.07 53.12 2a3y s TYR 195 Cb 0.00 -4.42 0.02 0.00 0.35 0.00 0.00 41.96 37.91 2a3y s TYR 195 CO 0.00 -1.59 -0.02 0.08 -1.34 0.00 0.00 175.55 172.68 2a3y s VAL 196 N 3.01 0.44 -0.08 3.14 1.01 -1.26 -4.31 120.40 122.36 2a3y s VAL 196 Ca 0.40 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.41 2a3y s VAL 196 Cb -0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 2a3y s VAL 196 CO -0.05 0.23 -0.18 -0.63 0.00 0.00 0.00 175.10 174.47 2a3y s ILE 197 N 1.37 2.71 -0.07 2.22 -1.09 -0.27 -4.92 121.20 121.14 2a3y s ILE 197 Ca -0.04 -0.83 -0.25 0.00 -2.23 0.00 0.00 60.65 57.30 2a3y s ILE 197 Cb -0.13 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 2a3y s ILE 197 CO -0.02 0.56 0.78 -0.63 -1.23 0.00 0.00 174.94 174.40 2a3y s ILE 198 N -0.21 4.98 0.12 2.92 1.01 -1.26 0.51 121.20 129.26 2a3y s ILE 198 Ca -0.01 1.61 -0.00 0.00 0.00 0.00 0.00 60.65 62.25 2a3y s ILE 198 Cb -0.13 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2a3y s ILE 198 CO 0.03 0.19 0.01 -0.54 0.00 0.00 0.00 174.94 174.63 2a3y s LYS 199 N 1.12 0.89 0.53 2.79 -0.14 -0.84 -4.97 119.74 119.13 2a3y s LYS 199 Ca 0.41 -1.41 -0.22 0.00 -1.36 0.00 0.00 55.97 53.39 2a3y s LYS 199 Cb -0.18 0.06 -0.05 0.00 -1.68 0.00 0.00 37.83 35.98 2a3y s LYS 199 CO 0.19 -0.17 1.38 -1.25 -0.76 0.00 0.00 175.35 174.74 2a3y s PRO 200 N -3.97 3.20 -0.51 -1.68 0.04 -1.26 -0.33 135.00 130.48 2a3y s PRO 200 Ca 0.19 2.30 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 2a3y s PRO 200 Cb 0.07 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.32 2a3y s PRO 200 CO -0.01 -1.16 1.14 -1.17 0.04 0.00 0.00 177.00 175.84 2a3y s LEU 201 N -3.41 3.61 0.00 -3.56 2.96 0.18 -4.61 118.68 113.84 2a3y s LEU 201 Ca 0.70 0.31 0.15 0.00 -0.22 0.00 0.00 54.13 55.08 2a3y s LEU 201 Cb -0.42 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 2a3y s LEU 201 CO 0.50 -1.32 0.77 1.33 -1.32 0.00 0.00 176.35 176.32 2a3y n VAL 202 N 6.76 0.00 -1.16 1.68 0.24 -1.26 -4.60 118.33 119.99 2a3y n VAL 202 Ca 0.10 -0.28 -0.04 0.00 -2.04 0.00 0.00 64.34 62.08 2a3y n VAL 202 Cb 0.49 1.13 0.26 0.00 -1.47 0.00 0.00 33.84 34.24 2a3y n VAL 202 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 2a3y n TRP 203 N -0.52 1.83 -0.15 6.34 4.27 -1.26 -5.28 117.44 122.67 2a3y n TRP 203 Ca 0.05 -1.30 0.00 0.00 -3.89 0.00 0.00 57.50 52.37 2a3y n TRP 203 Cb 0.30 -0.58 0.00 0.00 -1.36 0.00 0.00 31.31 29.67 2a3y n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68