#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t61 s PHE 6 N 0.00 3.45 0.10 1.61 0.40 -1.14 -4.93 117.98 117.47 1t61 s PHE 6 Ca 0.00 0.96 0.10 0.00 -0.60 0.00 0.00 56.93 57.40 1t61 s PHE 6 Cb 0.00 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1t61 s PHE 6 CO 0.00 0.03 -0.27 -0.51 0.70 0.00 0.00 175.22 175.18 1t61 s LEU 7 N -3.51 2.27 -0.02 -0.37 1.43 -1.26 0.47 118.68 117.68 1t61 s LEU 7 Ca 0.50 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1t61 s LEU 7 Cb -0.10 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 1t61 s LEU 7 CO 0.27 0.20 -0.12 -0.69 0.23 0.00 0.00 176.35 176.24 1t61 s VAL 8 N -0.98 1.01 -0.07 -1.59 1.01 0.76 -4.86 120.40 115.68 1t61 s VAL 8 Ca 0.13 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1t61 s VAL 8 Cb -0.10 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1t61 s VAL 8 CO 0.05 0.30 -0.21 -0.89 0.00 0.00 0.00 175.10 174.35 1t61 s THR 9 N 0.00 2.45 0.00 3.92 2.01 -1.25 -0.04 115.64 122.73 1t61 s THR 9 Ca -0.01 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.12 1t61 s THR 9 Cb -0.08 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1t61 s THR 9 CO 0.01 0.57 -0.15 -0.60 -0.69 0.00 0.00 174.62 173.75 1t61 s ARG 10 N -0.17 1.17 -0.15 4.92 3.52 -0.12 -4.81 118.95 123.30 1t61 s ARG 10 Ca -0.02 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 54.98 1t61 s ARG 10 Cb -0.14 -1.15 0.01 0.00 -1.56 0.00 0.00 34.95 32.11 1t61 s ARG 10 CO 0.04 0.31 -0.19 -1.01 -0.81 0.00 0.00 175.30 173.63 1t61 s HIS 11 N -0.49 2.72 0.21 5.12 3.76 -1.26 -0.77 115.29 124.58 1t61 s HIS 11 Ca 0.05 -1.26 0.06 0.00 -0.15 0.00 0.00 55.06 53.76 1t61 s HIS 11 Cb -0.06 -1.85 0.14 0.00 1.11 0.00 0.00 32.58 31.91 1t61 s HIS 11 CO -0.00 -0.58 1.48 0.66 -0.85 0.00 0.00 174.74 175.45 1t61 h SER 12 N 7.38 0.13 -1.63 1.40 4.64 -1.49 -3.46 113.55 120.52 1t61 h SER 12 Ca -0.34 -0.09 -0.30 0.00 -0.47 0.00 0.00 61.79 60.60 1t61 h SER 12 Cb 1.19 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 63.19 1t61 h SER 12 CO 0.57 0.83 -0.34 0.00 -0.87 0.00 0.00 176.83 177.01 1t61 n GLN 13 N -3.70 -1.13 -4.06 4.77 6.02 -1.26 -4.97 117.38 113.05 1t61 n GLN 13 Ca -0.02 0.82 -0.14 0.00 -0.01 0.00 0.00 57.00 57.65 1t61 n GLN 13 Cb 0.72 -5.07 -0.03 0.00 1.02 0.00 0.00 30.24 26.88 1t61 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t61 s THR 14 N -2.67 0.00 -1.31 5.09 -4.23 -1.26 -4.04 115.64 107.22 1t61 s THR 14 Ca 0.00 -1.54 0.29 0.00 -1.18 0.00 0.00 61.69 59.26 1t61 s THR 14 Cb 0.00 -2.66 0.43 0.00 1.34 0.00 0.00 72.50 71.61 1t61 s THR 14 CO 0.00 0.00 1.99 0.35 -0.54 0.00 0.00 174.62 176.42 1t61 n THR 15 N -0.57 0.05 -3.43 3.99 -2.24 -1.26 -2.07 114.28 108.75 1t61 n THR 15 Ca 0.00 0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 1t61 n THR 15 Cb 0.61 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 1t61 n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t61 s ASP 16 N -2.69 6.74 0.18 3.42 1.01 -1.26 -4.82 116.67 119.26 1t61 s ASP 16 Ca 0.24 0.97 -0.31 0.00 0.71 0.00 0.00 52.55 54.17 1t61 s ASP 16 Cb 0.19 -2.25 -0.09 0.00 1.01 0.00 0.00 42.92 41.78 1t61 s ASP 16 CO 0.46 0.09 1.44 -1.81 0.21 0.00 0.00 175.17 175.57 1t61 s ASP 17 N -1.83 6.71 0.64 0.27 1.01 -1.26 -4.51 116.67 117.70 1t61 s ASP 17 Ca 0.38 2.52 -0.13 0.00 0.71 0.00 0.00 52.55 56.03 1t61 s ASP 17 Cb -0.14 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 1t61 s ASP 17 CO 0.19 -0.70 1.05 -2.16 0.21 0.00 0.00 175.17 173.77 1t61 s PRO 18 N 0.49 3.17 0.16 8.23 0.04 -1.26 -5.00 135.00 140.82 1t61 s PRO 18 Ca 0.63 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1t61 s PRO 18 Cb -0.40 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 1t61 s PRO 18 CO 0.36 -0.92 0.50 -0.65 0.04 0.00 0.00 177.00 176.33 1t61 s GLN 19 N -4.56 3.84 0.35 4.56 -1.52 -1.26 -4.70 119.66 116.37 1t61 s GLN 19 Ca 0.60 0.30 -0.28 0.00 -1.95 0.00 0.00 55.36 54.03 1t61 s GLN 19 Cb -0.15 -2.83 -0.10 0.00 -0.22 0.00 0.00 33.01 29.71 1t61 s GLN 19 CO 0.46 0.43 1.30 0.00 -0.25 0.00 0.00 175.29 177.23 1t61 s PRO 21 N -1.94 0.98 0.38 0.00 0.04 -1.26 -4.87 135.00 128.33 1t61 s PRO 21 Ca 0.51 1.51 -0.28 0.00 0.04 0.00 0.00 61.00 62.78 1t61 s PRO 21 Cb -0.39 -1.73 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 1t61 s PRO 21 CO 0.51 -2.65 1.46 -0.35 0.04 0.00 0.00 177.00 176.02 1t61 n PRO 22 N -4.24 2.58 -0.55 0.56 -0.04 -1.26 -2.43 135.00 129.62 1t61 n PRO 22 Ca 0.11 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 1t61 n PRO 22 Cb 0.52 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1t61 n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t61 n GLY 23 N 0.49 0.75 3.21 0.55 0.00 -1.26 -5.05 105.19 103.89 1t61 n GLY 23 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1t61 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 24 N -2.65 1.18 -0.04 2.61 -4.23 -1.02 -4.31 115.64 107.19 1t61 s THR 24 Ca 0.00 -1.63 0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1t61 s THR 24 Cb 0.00 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.42 1t61 s THR 24 CO 0.00 -0.42 -0.22 -1.59 -0.54 0.00 0.00 174.62 171.85 1t61 s LYS 25 N -2.54 2.32 0.48 3.99 -2.85 -0.76 -4.74 119.74 115.64 1t61 s LYS 25 Ca 0.06 -0.85 -0.24 0.00 -1.00 0.00 0.00 55.97 53.94 1t61 s LYS 25 Cb -0.05 -2.17 -0.07 0.00 -2.06 0.00 0.00 37.83 33.47 1t61 s LYS 25 CO 0.02 0.55 1.42 -1.50 0.10 0.00 0.00 175.35 175.93 1t61 s ILE 26 N -0.56 2.02 -0.07 3.79 1.10 -1.26 -0.46 121.20 125.76 1t61 s ILE 26 Ca 0.08 0.01 -0.05 0.00 -0.51 0.00 0.00 60.65 60.18 1t61 s ILE 26 Cb -0.11 -3.01 -0.03 0.00 0.15 0.00 0.00 42.46 39.46 1t61 s ILE 26 CO 0.00 0.00 -0.12 0.18 -2.11 0.00 0.00 174.94 172.90 1t61 n LEU 27 N -0.49 0.84 -3.49 8.50 4.77 0.28 -4.80 117.00 122.62 1t61 n LEU 27 Ca 0.07 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1t61 n LEU 27 Cb 0.43 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1t61 n LEU 27 CO 0.57 -0.01 0.62 -0.72 -1.33 0.00 0.00 177.39 176.52 1t61 s TYR 28 N -2.20 -0.39 0.25 -1.77 -0.85 -1.17 -5.02 117.35 106.19 1t61 s TYR 28 Ca -0.12 0.23 0.09 0.00 -0.52 0.00 0.00 57.07 56.76 1t61 s TYR 28 Cb 0.04 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 1t61 s TYR 28 CO 0.16 -0.62 -0.02 -1.01 -1.52 0.00 0.00 175.55 172.54 1t61 s HIS 29 N -3.27 2.68 0.00 -3.49 3.76 -1.26 -1.41 115.29 112.30 1t61 s HIS 29 Ca 0.04 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1t61 s HIS 29 Cb -0.01 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.48 1t61 s HIS 29 CO -0.10 0.61 0.00 0.41 -0.85 0.00 0.00 174.74 174.81 1t61 n GLY 30 N -0.76 2.01 3.65 -2.22 0.00 -0.58 -4.57 105.19 102.70 1t61 n GLY 30 Ca -0.07 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1t61 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 31 N -2.18 3.02 -0.73 1.61 1.51 0.11 -0.75 117.35 119.94 1t61 s TYR 31 Ca 0.00 0.06 -0.26 0.00 -1.01 0.00 0.00 57.07 55.86 1t61 s TYR 31 Cb 0.00 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1t61 s TYR 31 CO 0.00 0.42 1.55 -1.12 -1.11 0.00 0.00 175.55 175.29 1t61 s SER 32 N -1.31 5.80 -0.20 2.29 0.01 -0.20 -1.48 113.70 118.62 1t61 s SER 32 Ca 0.17 -0.27 -0.20 0.00 1.31 0.00 0.00 55.95 56.95 1t61 s SER 32 Cb -0.11 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 1t61 s SER 32 CO 0.07 -2.06 0.61 -0.22 0.41 0.00 0.00 173.24 172.04 1t61 s LEU 33 N 7.16 4.14 -0.18 2.44 2.96 -0.02 -1.27 118.68 133.92 1t61 s LEU 33 Ca 0.50 0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 55.04 1t61 s LEU 33 Cb -0.09 -2.85 -0.13 0.00 0.50 0.00 0.00 46.19 43.62 1t61 s LEU 33 CO 0.14 -0.26 0.08 0.25 -1.32 0.00 0.00 176.35 175.24 1t61 h LEU 34 N 8.19 0.00 -7.65 -0.68 5.85 -1.22 -3.41 115.31 116.39 1t61 h LEU 34 Ca -0.32 -0.32 0.20 0.00 0.84 0.00 0.00 57.88 58.28 1t61 h LEU 34 Cb 1.14 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1t61 h LEU 34 CO 0.77 1.19 0.56 -0.72 -0.34 0.00 0.00 178.44 179.89 1t61 s TYR 35 N -2.29 -0.08 0.26 1.25 1.13 -1.11 -2.41 117.35 114.09 1t61 s TYR 35 Ca -0.23 -0.21 0.05 0.00 -1.41 0.00 0.00 57.07 55.27 1t61 s TYR 35 Cb 0.04 0.64 -0.05 0.00 -1.10 0.00 0.00 41.96 41.48 1t61 s TYR 35 CO 0.44 -0.76 -0.04 0.14 -2.51 0.00 0.00 175.55 172.82 1t61 s VAL 36 N -2.94 1.42 -0.15 -3.49 -7.23 -0.24 -0.48 120.40 107.28 1t61 s VAL 36 Ca 0.14 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1t61 s VAL 36 Cb -0.01 -2.38 0.05 0.00 0.56 0.00 0.00 36.38 34.61 1t61 s VAL 36 CO 0.02 -0.33 0.07 -1.58 -0.31 0.00 0.00 175.10 172.96 1t61 s GLN 37 N -3.77 0.24 -0.09 4.82 0.74 -0.62 -0.56 119.66 120.42 1t61 s GLN 37 Ca 0.28 -0.10 0.04 0.00 0.05 0.00 0.00 55.36 55.63 1t61 s GLN 37 Cb 0.04 -1.68 0.00 0.00 1.10 0.00 0.00 33.01 32.47 1t61 s GLN 37 CO 0.10 -0.60 -0.21 0.20 -0.55 0.00 0.00 175.29 174.24 1t61 s GLY 38 N 2.06 1.18 -1.59 2.59 0.00 -0.07 -1.32 107.32 110.17 1t61 s GLY 38 Ca 0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 44.72 43.77 1t61 s GLY 38 CO -0.08 -0.23 0.86 -2.01 0.00 0.00 0.00 173.10 171.64 1t61 n ASN 39 N 3.56 -3.77 0.00 1.64 4.05 -1.26 -0.84 115.26 118.64 1t61 n ASN 39 Ca -0.20 -0.89 0.00 0.00 0.45 0.00 0.00 54.58 53.94 1t61 n ASN 39 Cb 0.53 -3.39 0.00 0.00 1.23 0.00 0.00 39.78 38.15 1t61 n ASN 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1t61 n GLU 40 N -4.53 -0.72 -3.94 1.20 1.02 -1.26 -5.00 120.64 107.41 1t61 n GLU 40 Ca 0.02 0.18 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 1t61 n GLU 40 Cb 0.53 -3.75 -0.13 0.00 -0.02 0.00 0.00 31.44 28.07 1t61 n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1t61 s ARG 41 N -0.76 3.63 0.20 3.49 6.06 -0.02 -5.02 118.95 126.52 1t61 s ARG 41 Ca 0.00 -0.51 -0.18 0.00 -2.50 0.00 0.00 55.73 52.55 1t61 s ARG 41 Cb 0.00 -3.16 -0.08 0.00 0.06 0.00 0.00 34.95 31.77 1t61 s ARG 41 CO 0.00 -0.06 0.67 0.00 -2.50 0.00 0.00 175.30 173.40 1t61 s ALA 42 N 1.23 3.47 -0.15 6.12 0.00 -1.26 -0.89 121.76 130.28 1t61 s ALA 42 Ca 0.04 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1t61 s ALA 42 Cb -0.15 -2.72 0.07 0.00 0.00 0.00 0.00 23.12 20.33 1t61 s ALA 42 CO 0.02 0.37 0.26 -1.58 0.00 0.00 0.00 175.76 174.83 1t61 s HIS 43 N -1.51 -0.41 0.44 0.00 2.46 0.28 -4.94 115.29 111.61 1t61 s HIS 43 Ca 0.41 0.80 0.08 0.00 0.47 0.00 0.00 55.06 56.82 1t61 s HIS 43 Cb -0.16 -0.11 0.02 0.00 -0.13 0.00 0.00 32.58 32.20 1t61 s HIS 43 CO 0.20 -0.43 0.57 0.20 -2.47 0.00 0.00 174.74 172.81 1t61 s GLY 44 N 2.41 1.96 -0.20 1.59 0.00 -1.26 -1.08 107.32 110.74 1t61 s GLY 44 Ca 0.03 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 43.00 1t61 s GLY 44 CO -0.10 -1.55 -0.10 1.20 0.00 0.00 0.00 173.10 172.55 1t61 s GLN 45 N -4.36 2.00 0.09 2.90 -1.52 -1.01 -4.97 119.66 112.79 1t61 s GLN 45 Ca 0.54 -0.82 -0.36 0.00 -1.95 0.00 0.00 55.36 52.78 1t61 s GLN 45 Cb -0.08 -2.39 -0.16 0.00 -0.22 0.00 0.00 33.01 30.16 1t61 s GLN 45 CO 0.33 -0.42 1.42 -3.47 -0.25 0.00 0.00 175.29 172.90 1t61 n ASP 46 N 4.70 2.08 0.02 5.90 2.03 -1.26 -4.55 116.55 125.47 1t61 n ASP 46 Ca -0.15 1.11 0.03 0.00 0.52 0.00 0.00 54.79 56.31 1t61 n ASP 46 Cb 0.47 -1.26 0.16 0.00 -0.72 0.00 0.00 41.12 39.77 1t61 n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1t61 n LEU 47 N 2.89 0.09 -0.59 -2.67 4.77 -1.26 -1.07 117.00 119.16 1t61 n LEU 47 Ca 0.18 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.83 1t61 n LEU 47 Cb 0.22 -0.54 0.31 0.00 -2.33 0.00 0.00 43.42 41.08 1t61 n LEU 47 CO 0.63 -0.50 0.70 0.61 -1.33 0.00 0.00 177.39 177.50 1t61 n GLY 48 N -1.06 0.21 3.70 -0.72 0.00 -1.26 -4.38 105.19 101.67 1t61 n GLY 48 Ca 0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1t61 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 49 N -2.14 3.81 0.53 2.61 -4.23 -0.23 -3.95 115.64 112.03 1t61 s THR 49 Ca 0.31 -1.59 0.42 0.00 -1.18 0.00 0.00 61.69 59.64 1t61 s THR 49 Cb 0.20 -2.99 0.43 0.00 1.34 0.00 0.00 72.50 71.47 1t61 s THR 49 CO 0.38 -0.26 2.28 0.00 -0.54 0.00 0.00 174.62 176.48 1t61 h ALA 50 N 2.13 1.00 0.00 3.99 0.00 -1.92 -1.95 119.26 122.51 1t61 h ALA 50 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1t61 h ALA 50 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t61 h ALA 50 CO 0.60 0.00 -0.01 0.78 0.00 0.00 0.00 179.25 180.62 1t61 h GLY 51 N 0.28 0.00 -1.27 0.00 0.00 -1.95 -1.46 103.07 98.66 1t61 h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t61 h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 52 N -3.11 1.87 -3.83 0.19 3.41 -0.73 -4.64 113.62 106.79 1t61 n SER 52 Ca -0.01 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.31 1t61 n SER 52 Cb 0.21 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 63.78 1t61 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 54 N 1.40 4.23 0.39 0.00 1.43 -0.55 -4.82 118.68 120.76 1t61 s LEU 54 Ca 0.09 0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1t61 s LEU 54 Cb -0.18 -2.06 0.81 0.00 0.03 0.00 0.00 46.19 44.79 1t61 s LEU 54 CO -0.19 0.30 1.99 0.03 0.23 0.00 0.00 176.35 178.71 1t61 h ARG 55 N 5.79 0.45 -6.04 1.70 3.08 -1.88 0.33 114.38 117.81 1t61 h ARG 55 Ca -0.48 -0.06 -0.63 0.00 0.07 0.00 0.00 59.98 58.88 1t61 h ARG 55 Cb 1.19 -0.09 -0.30 0.00 0.08 0.00 0.00 29.97 30.85 1t61 h ARG 55 CO 0.66 0.39 -0.87 0.15 -1.07 0.00 0.00 179.97 179.23 1t61 s LYS 56 N -5.20 1.93 0.07 0.04 1.02 -1.26 -4.69 119.74 111.65 1t61 s LYS 56 Ca -0.07 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.07 1t61 s LYS 56 Cb 0.17 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.63 1t61 s LYS 56 CO 0.74 0.43 0.31 0.12 -0.92 0.00 0.00 175.35 176.02 1t61 s PHE 57 N -0.38 3.54 -0.20 3.18 5.36 -1.26 -4.91 117.98 123.31 1t61 s PHE 57 Ca 0.05 0.54 -0.27 0.00 -0.96 0.00 0.00 56.93 56.29 1t61 s PHE 57 Cb -0.10 -1.98 0.09 0.00 -0.34 0.00 0.00 43.02 40.69 1t61 s PHE 57 CO 0.00 0.54 0.82 0.45 -1.46 0.00 0.00 175.22 175.58 1t61 s SER 58 N -2.07 -0.60 0.46 6.13 0.15 -1.26 -5.01 113.70 111.50 1t61 s SER 58 Ca 0.34 0.98 0.31 0.00 0.70 0.00 0.00 55.95 58.27 1t61 s SER 58 Cb -0.13 0.92 1.30 0.00 -1.71 0.00 0.00 66.02 66.41 1t61 s SER 58 CO 0.21 -0.33 1.91 0.71 1.20 0.00 0.00 173.24 176.94 1t61 h THR 59 N 3.44 0.00 -2.40 6.45 1.35 -1.95 -3.31 112.91 116.50 1t61 h THR 59 Ca -0.27 -0.39 -0.59 0.00 -0.55 0.00 0.00 66.41 64.62 1t61 h THR 59 Cb 1.16 1.29 -0.38 0.00 -1.73 0.00 0.00 68.15 68.49 1t61 h THR 59 CO 0.19 0.00 -0.96 -0.32 -0.25 0.00 0.00 175.52 174.18 1t61 s MET 60 N -3.58 0.88 -0.00 4.72 -2.45 -1.26 -4.03 119.30 113.57 1t61 s MET 60 Ca 0.02 -2.03 0.01 0.00 -1.25 0.00 0.00 55.69 52.44 1t61 s MET 60 Cb 0.09 -1.42 0.04 0.00 1.25 0.00 0.00 34.83 34.78 1t61 s MET 60 CO 0.48 -1.37 0.92 -0.35 1.05 0.00 0.00 175.02 175.75 1t61 n PRO 61 N 2.98 1.12 -4.03 4.11 -0.04 -1.25 -4.87 135.00 133.03 1t61 n PRO 61 Ca 0.28 -0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1t61 n PRO 61 Cb 0.46 -1.15 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 1t61 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 62 N -1.74 0.57 0.20 0.54 -0.71 -1.26 -5.09 117.98 110.49 1t61 s PHE 62 Ca 0.03 -0.90 -0.01 0.00 -1.04 0.00 0.00 56.93 55.01 1t61 s PHE 62 Cb 0.02 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 1t61 s PHE 62 CO 0.02 -0.77 0.11 -0.48 -1.34 0.00 0.00 175.22 172.75 1t61 s LEU 63 N -3.03 1.37 0.10 -1.99 0.05 -1.26 -4.57 118.68 109.35 1t61 s LEU 63 Ca 0.24 -1.35 0.06 0.00 0.05 0.00 0.00 54.13 53.13 1t61 s LEU 63 Cb 0.03 0.29 -0.03 0.00 -2.05 0.00 0.00 46.19 44.43 1t61 s LEU 63 CO 0.05 -0.79 -0.16 0.72 -0.55 0.00 0.00 176.35 175.62 1t61 s PHE 64 N -4.06 1.47 0.04 3.48 -0.12 -1.02 -4.99 117.98 112.78 1t61 s PHE 64 Ca 0.36 -0.48 0.06 0.00 -0.05 0.00 0.00 56.93 56.82 1t61 s PHE 64 Cb 0.07 -0.79 -0.02 0.00 -0.63 0.00 0.00 43.02 41.64 1t61 s PHE 64 CO 0.10 0.15 -0.18 0.00 -0.05 0.00 0.00 175.22 175.24 1t61 s ASN 66 N -1.13 4.83 0.40 0.00 2.20 -0.42 -4.97 114.94 115.86 1t61 s ASN 66 Ca 0.05 -1.04 0.28 0.00 -0.94 0.00 0.00 52.86 51.22 1t61 s ASN 66 Cb -0.08 0.15 1.37 0.00 -2.00 0.00 0.00 41.25 40.69 1t61 s ASN 66 CO 0.01 -1.05 1.85 0.16 -2.94 0.00 0.00 177.10 175.14 1t61 h ILE 67 N 0.70 0.00 -0.22 0.54 3.07 -2.02 -0.62 117.51 118.96 1t61 h ILE 67 Ca -0.36 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 65.90 1t61 h ILE 67 Cb 1.29 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1t61 h ILE 67 CO 0.54 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 178.23 1t61 n ASN 68 N -2.53 1.50 -2.91 2.16 3.02 -1.26 -4.91 115.26 110.34 1t61 n ASN 68 Ca -0.00 -1.83 -0.18 0.00 -0.03 0.00 0.00 54.58 52.53 1t61 n ASN 68 Cb 0.14 -0.15 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1t61 n ASN 68 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t61 n ASN 69 N 0.26 -5.24 -4.18 6.41 2.85 -0.24 -5.02 115.26 110.11 1t61 n ASN 69 Ca 0.13 -0.42 -0.30 0.00 -0.11 0.00 0.00 54.58 53.88 1t61 n ASN 69 Cb 0.27 -4.04 -0.17 0.00 1.24 0.00 0.00 39.78 37.08 1t61 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1t61 s VAL 70 N -3.25 1.78 0.04 3.44 1.01 -1.25 -4.95 120.40 117.22 1t61 s VAL 70 Ca 0.43 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1t61 s VAL 70 Cb -0.19 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1t61 s VAL 70 CO 0.57 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 176.07 1t61 s ASN 72 N -1.65 2.90 -0.16 0.00 0.01 0.13 -4.98 114.94 111.19 1t61 s ASN 72 Ca 0.18 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1t61 s ASN 72 Cb -0.11 -1.22 0.00 0.00 0.41 0.00 0.00 41.25 40.33 1t61 s ASN 72 CO 0.09 0.16 -0.16 0.12 -1.51 0.00 0.00 177.10 175.80 1t61 s PHE 73 N 0.28 2.77 -1.70 2.20 5.36 -1.26 -2.42 117.98 123.22 1t61 s PHE 73 Ca -0.15 -1.09 -0.17 0.00 -0.96 0.00 0.00 56.93 54.56 1t61 s PHE 73 Cb -0.17 -1.89 0.15 0.00 -0.34 0.00 0.00 43.02 40.77 1t61 s PHE 73 CO 0.07 -0.50 0.70 0.00 -1.46 0.00 0.00 175.22 174.03 1t61 n ALA 74 N 4.10 -1.35 0.22 11.12 0.00 -1.26 -4.84 120.51 128.49 1t61 n ALA 74 Ca -0.19 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.22 1t61 n ALA 74 Cb 0.52 -3.07 -0.07 0.00 0.00 0.00 0.00 19.45 16.83 1t61 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t61 n SER 75 N -2.67 1.61 0.00 0.00 7.64 -1.26 -4.80 113.62 114.15 1t61 n SER 75 Ca 0.03 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1t61 n SER 75 Cb 0.51 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.98 1t61 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t61 n ARG 76 N -1.59 0.00 -3.09 1.43 0.63 -1.26 -5.07 116.66 107.71 1t61 n ARG 76 Ca -0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 1t61 n ARG 76 Cb 0.23 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.11 1t61 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t61 n ASN 77 N 0.00 1.55 -4.99 6.15 3.02 -1.26 -4.88 115.26 114.84 1t61 n ASN 77 Ca 0.00 -3.11 -0.19 0.00 -0.03 0.00 0.00 54.58 51.25 1t61 n ASN 77 Cb 0.00 -0.60 0.01 0.00 -0.61 0.00 0.00 39.78 38.58 1t61 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1t61 s ASP 78 N -2.68 5.77 0.20 6.41 -0.00 -1.26 -4.89 116.67 120.22 1t61 s ASP 78 Ca 0.40 -0.19 0.04 0.00 -0.00 0.00 0.00 52.55 52.81 1t61 s ASP 78 Cb 0.35 -1.04 -0.05 0.00 -0.00 0.00 0.00 42.92 42.18 1t61 s ASP 78 CO -0.08 -0.65 -0.04 -0.31 -0.00 0.00 0.00 175.17 174.09 1t61 s TYR 79 N -2.34 1.47 -0.00 4.23 1.51 -0.44 -2.04 117.35 119.74 1t61 s TYR 79 Ca 0.50 -0.85 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1t61 s TYR 79 Cb -0.10 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1t61 s TYR 79 CO 0.33 0.02 0.01 -1.54 -1.11 0.00 0.00 175.55 173.26 1t61 s SER 80 N -3.26 0.03 -0.04 2.29 1.04 -0.56 -1.59 113.70 111.61 1t61 s SER 80 Ca 0.24 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.65 1t61 s SER 80 Cb 0.04 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 1t61 s SER 80 CO 0.06 -0.06 -0.15 -0.31 0.98 0.00 0.00 173.24 173.75 1t61 s TYR 81 N -0.27 1.54 0.06 5.02 2.02 0.37 -0.47 117.35 125.61 1t61 s TYR 81 Ca -0.03 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.30 1t61 s TYR 81 Cb -0.02 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 1t61 s TYR 81 CO -0.00 -0.14 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.13 1t61 s TRP 82 N 0.03 1.08 0.51 2.71 0.52 -0.97 -0.71 118.94 122.11 1t61 s TRP 82 Ca -0.03 -0.44 -0.22 0.00 0.02 0.00 0.00 56.10 55.43 1t61 s TRP 82 Cb -0.10 -0.62 -0.06 0.00 -1.15 0.00 0.00 33.47 31.54 1t61 s TRP 82 CO 0.02 0.02 1.25 -0.51 0.02 0.00 0.00 176.95 177.74 1t61 s LEU 83 N -1.57 3.91 0.46 2.99 1.43 -0.40 -0.79 118.68 124.71 1t61 s LEU 83 Ca -0.03 2.50 0.06 0.00 -1.03 0.00 0.00 54.13 55.63 1t61 s LEU 83 Cb -0.09 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 1t61 s LEU 83 CO 0.02 -1.26 0.22 -0.94 0.23 0.00 0.00 176.35 174.62 1t61 s SER 84 N -1.23 4.45 0.55 2.29 1.04 0.24 -1.42 113.70 119.63 1t61 s SER 84 Ca 0.68 -1.21 0.09 0.00 0.48 0.00 0.00 55.95 55.99 1t61 s SER 84 Cb -0.33 -0.08 0.09 0.00 0.10 0.00 0.00 66.02 65.79 1t61 s SER 84 CO 0.40 -0.75 0.71 0.35 0.98 0.00 0.00 173.24 174.93 1t61 n THR 85 N -1.39 0.00 1.53 2.02 -2.24 -0.63 -4.51 114.28 109.06 1t61 n THR 85 Ca -0.04 -1.90 0.13 0.00 -2.27 0.00 0.00 64.05 59.96 1t61 n THR 85 Cb 0.65 -0.46 0.73 0.00 -2.10 0.00 0.00 70.33 69.16 1t61 n THR 85 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1t61 n PRO 86 N -2.15 0.73 -1.64 -0.78 -0.02 -1.26 -4.88 135.00 125.00 1t61 n PRO 86 Ca 0.13 0.01 -0.55 0.00 -2.02 0.00 0.00 63.50 61.07 1t61 n PRO 86 Cb 0.58 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.50 1t61 n PRO 86 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1t61 n GLU 87 N -1.04 1.08 -1.65 -0.52 4.07 -1.26 -4.85 120.64 116.47 1t61 n GLU 87 Ca 0.18 0.39 -0.43 0.00 -0.06 0.00 0.00 57.16 57.24 1t61 n GLU 87 Cb 0.10 -2.05 -0.01 0.00 -0.06 0.00 0.00 31.44 29.43 1t61 n GLU 87 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1t61 n PRO 88 N 3.79 1.74 -2.17 5.31 -0.02 -1.26 -4.92 135.00 137.48 1t61 n PRO 88 Ca 0.22 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1t61 n PRO 88 Cb 0.15 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1t61 n PRO 88 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1t61 s MET 89 N -1.78 4.36 0.22 -0.52 -1.94 -1.26 -4.90 119.30 113.48 1t61 s MET 89 Ca 0.58 2.11 -0.31 0.00 -1.71 0.00 0.00 55.69 56.36 1t61 s MET 89 Cb -0.61 -3.17 -0.15 0.00 2.01 0.00 0.00 34.83 32.91 1t61 s MET 89 CO 0.61 -0.29 1.16 -2.30 -0.01 0.00 0.00 175.02 174.19 1t61 n PRO 90 N 2.53 1.40 -0.05 2.03 -0.02 -1.26 -4.85 135.00 134.77 1t61 n PRO 90 Ca 0.06 0.50 0.04 0.00 -2.02 0.00 0.00 63.50 62.08 1t61 n PRO 90 Cb 0.42 -1.98 0.40 0.00 -0.02 0.00 0.00 33.50 32.31 1t61 n PRO 90 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1t61 h MET 91 N 3.07 0.62 0.00 -0.52 4.05 -1.97 -0.00 114.93 120.18 1t61 h MET 91 Ca -0.42 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 58.94 1t61 h MET 91 Cb 1.33 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1t61 h MET 91 CO 0.68 0.41 -0.11 0.66 0.23 0.00 0.00 176.91 178.78 1t61 h SER 92 N 0.64 0.00 -0.41 1.39 4.64 -2.03 -3.46 113.55 114.32 1t61 h SER 92 Ca 0.19 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.33 1t61 h SER 92 Cb -0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.00 1t61 h SER 92 CO -0.04 0.11 -0.16 0.23 -0.87 0.00 0.00 176.83 176.09 1t61 n MET 93 N -3.23 -1.13 -2.84 4.77 0.00 -0.02 -4.99 117.12 109.69 1t61 n MET 93 Ca 0.01 0.74 -0.29 0.00 0.00 0.00 0.00 57.70 58.15 1t61 n MET 93 Cb 0.38 -4.81 -0.02 0.00 0.00 0.00 0.00 33.22 28.77 1t61 n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t61 s ALA 94 N -2.06 3.38 0.36 3.04 0.00 -1.26 -4.95 121.76 120.27 1t61 s ALA 94 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 1t61 s ALA 94 Cb 0.00 -2.65 -0.12 0.00 0.00 0.00 0.00 23.12 20.35 1t61 s ALA 94 CO 0.00 -0.07 1.10 -2.30 0.00 0.00 0.00 175.76 174.49 1t61 n PRO 95 N -1.48 1.58 -3.60 0.00 -0.02 -1.26 -4.89 135.00 125.33 1t61 n PRO 95 Ca 0.02 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 1t61 n PRO 95 Cb 0.54 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 1t61 n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t61 s ILE 96 N -1.16 5.14 0.10 4.25 1.01 0.80 -4.88 121.20 126.46 1t61 s ILE 96 Ca 0.60 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1t61 s ILE 96 Cb -0.60 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1t61 s ILE 96 CO 0.59 0.47 -0.02 0.42 0.00 0.00 0.00 174.94 176.40 1t61 s THR 97 N -1.20 0.45 0.00 2.92 -4.23 -1.26 -1.34 115.64 110.98 1t61 s THR 97 Ca 0.26 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1t61 s THR 97 Cb -0.15 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1t61 s THR 97 CO 0.14 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1t61 n GLY 98 N -0.04 2.84 0.28 3.99 0.00 -1.25 -2.00 105.19 109.01 1t61 n GLY 98 Ca -0.10 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1t61 n GLY 98 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1t61 h GLU 99 N 0.00 0.00 0.00 1.61 4.57 -1.99 -2.29 114.58 116.48 1t61 h GLU 99 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1t61 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1t61 h GLU 99 CO 0.00 0.06 0.00 0.09 -1.18 0.00 0.00 179.01 177.98 1t61 n ASN 100 N -3.77 0.17 0.07 1.04 3.02 -0.85 -2.25 115.26 112.69 1t61 n ASN 100 Ca -0.02 0.56 -0.06 0.00 -0.03 0.00 0.00 54.58 55.03 1t61 n ASN 100 Cb 0.15 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 1t61 n ASN 100 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1t61 h ILE 101 N 0.00 1.58 -0.63 2.41 2.04 -1.51 -3.37 117.51 118.03 1t61 h ILE 101 Ca 0.00 -3.24 0.13 0.00 1.00 0.00 0.00 64.86 62.75 1t61 h ILE 101 Cb 0.16 2.78 -0.10 0.00 -0.74 0.00 0.00 36.82 38.92 1t61 h ILE 101 CO 0.00 0.90 0.02 -0.09 0.00 0.00 0.00 178.15 178.99 1t61 h ARG 102 N 0.00 0.13 0.00 2.37 2.43 -1.64 -0.51 114.38 117.16 1t61 h ARG 102 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1t61 h ARG 102 Cb 1.71 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1t61 h ARG 102 CO 0.12 0.09 0.08 -2.30 -1.51 0.00 0.00 179.97 176.45 1t61 n PRO 103 N -5.26 0.12 0.02 0.20 -0.02 -1.26 -2.13 135.00 126.66 1t61 n PRO 103 Ca 0.10 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 1t61 n PRO 103 Cb 0.37 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1t61 n PRO 103 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1t61 n PHE 104 N -2.16 0.17 -3.29 6.00 3.01 -0.20 -4.56 117.46 116.42 1t61 n PHE 104 Ca -0.01 0.05 -0.39 0.00 1.01 0.00 0.00 57.45 58.11 1t61 n PHE 104 Cb 0.11 -0.36 -0.07 0.00 -0.01 0.00 0.00 39.48 39.16 1t61 n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1t61 s ILE 105 N -3.20 5.15 0.58 4.37 -1.09 -0.90 -1.61 121.20 124.50 1t61 s ILE 105 Ca 0.03 0.90 -0.18 0.00 -2.23 0.00 0.00 60.65 59.16 1t61 s ILE 105 Cb 0.15 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1t61 s ILE 105 CO 0.83 0.23 1.16 -0.55 -1.23 0.00 0.00 174.94 175.38 1t61 s SER 106 N 1.01 5.38 0.29 3.58 0.15 -0.51 -4.45 113.70 119.15 1t61 s SER 106 Ca 0.23 2.24 0.07 0.00 0.70 0.00 0.00 55.95 59.20 1t61 s SER 106 Cb -0.15 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 1t61 s SER 106 CO 0.09 -1.46 0.22 -0.13 1.20 0.00 0.00 173.24 173.17 1t61 s ARG 107 N -3.43 2.80 0.19 5.44 1.81 -0.88 -1.03 118.95 123.85 1t61 s ARG 107 Ca 0.74 -1.18 -0.06 0.00 -1.72 0.00 0.00 55.73 53.51 1t61 s ARG 107 Cb -0.26 -2.50 -0.02 0.00 -0.45 0.00 0.00 34.95 31.72 1t61 s ARG 107 CO 0.32 0.27 0.24 0.00 -0.68 0.00 0.00 175.30 175.45 1t61 s ALA 109 N -4.06 0.11 -0.21 0.00 0.00 0.05 -1.53 121.76 116.12 1t61 s ALA 109 Ca 0.27 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 1t61 s ALA 109 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1t61 s ALA 109 CO 0.07 -0.04 0.01 0.08 0.00 0.00 0.00 175.76 175.87 1t61 s VAL 110 N 0.54 3.96 0.10 0.00 1.01 -0.50 -0.95 120.40 124.56 1t61 s VAL 110 Ca -0.05 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.71 1t61 s VAL 110 Cb -0.07 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1t61 s VAL 110 CO -0.01 0.42 -0.21 0.00 0.00 0.00 0.00 175.10 175.30 1t61 s GLU 112 N -1.90 4.28 0.12 0.00 2.12 0.39 -0.17 118.70 123.54 1t61 s GLU 112 Ca 0.06 0.43 0.07 0.00 0.36 0.00 0.00 54.97 55.89 1t61 s GLU 112 Cb -0.10 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1t61 s GLU 112 CO 0.04 0.03 -0.05 0.00 -0.54 0.00 0.00 175.26 174.74 1t61 s ALA 113 N 1.05 3.10 -0.61 6.30 0.00 0.18 -1.82 121.76 129.95 1t61 s ALA 113 Ca 0.25 -1.25 0.25 0.00 0.00 0.00 0.00 51.96 51.21 1t61 s ALA 113 Cb -0.15 -0.99 0.87 0.00 0.00 0.00 0.00 23.12 22.86 1t61 s ALA 113 CO 0.10 0.61 1.75 -1.00 0.00 0.00 0.00 175.76 177.23 1t61 h PRO 114 N 3.31 0.00 -3.44 0.00 0.13 -1.85 -3.02 132.00 127.14 1t61 h PRO 114 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1t61 h PRO 114 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1t61 h PRO 114 CO 0.56 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.35 1t61 s ALA 115 N -3.20 -0.45 0.55 -0.56 0.00 -1.26 -4.91 121.76 111.93 1t61 s ALA 115 Ca 0.08 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 51.06 1t61 s ALA 115 Cb 0.11 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 24.15 1t61 s ALA 115 CO 0.52 -0.92 1.20 -1.64 0.00 0.00 0.00 175.76 174.92 1t61 s MET 116 N -3.64 3.22 -0.06 0.00 -1.94 -1.26 -4.74 119.30 110.88 1t61 s MET 116 Ca 0.19 1.80 0.03 0.00 -1.71 0.00 0.00 55.69 56.01 1t61 s MET 116 Cb -0.03 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.76 1t61 s MET 116 CO 0.10 -1.00 -0.16 0.08 -0.01 0.00 0.00 175.02 174.03 1t61 s VAL 117 N -1.60 1.35 0.26 -6.03 1.01 -1.26 -1.27 120.40 112.86 1t61 s VAL 117 Ca 0.73 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1t61 s VAL 117 Cb -0.29 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1t61 s VAL 117 CO 0.33 0.40 0.20 0.00 0.00 0.00 0.00 175.10 176.03 1t61 s MET 118 N 0.32 1.47 0.15 2.72 0.23 -0.19 -4.72 119.30 119.27 1t61 s MET 118 Ca -0.10 -1.82 0.09 0.00 -1.03 0.00 0.00 55.69 52.84 1t61 s MET 118 Cb -0.14 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1t61 s MET 118 CO 0.03 -0.51 -0.17 0.00 -2.03 0.00 0.00 175.02 172.35 1t61 s ALA 119 N -3.81 2.73 0.02 3.16 0.00 -0.33 -0.24 121.76 123.30 1t61 s ALA 119 Ca 0.40 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1t61 s ALA 119 Cb 0.05 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1t61 s ALA 119 CO 0.20 0.53 -0.12 0.14 0.00 0.00 0.00 175.76 176.50 1t61 s VAL 120 N -1.38 0.98 -0.03 0.00 -7.23 -0.29 -4.59 120.40 107.86 1t61 s VAL 120 Ca 0.20 -0.83 0.07 0.00 -1.81 0.00 0.00 61.98 59.61 1t61 s VAL 120 Cb -0.10 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.95 1t61 s VAL 120 CO 0.11 0.05 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.72 1t61 s HIS 121 N -0.69 2.17 -0.07 2.82 3.76 -1.26 -1.44 115.29 120.57 1t61 s HIS 121 Ca 0.02 -0.50 0.14 0.00 -0.15 0.00 0.00 55.06 54.57 1t61 s HIS 121 Cb -0.07 -1.41 -0.19 0.00 1.11 0.00 0.00 32.58 32.03 1t61 s HIS 121 CO 0.01 -0.10 0.77 0.66 -0.85 0.00 0.00 174.74 175.23 1t61 h SER 122 N 5.75 0.00 -2.10 1.40 4.64 -1.55 -3.48 113.55 118.22 1t61 h SER 122 Ca -0.38 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.60 1t61 h SER 122 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1t61 h SER 122 CO 0.47 0.83 -0.41 0.00 -0.87 0.00 0.00 176.83 176.85 1t61 n GLN 123 N -3.00 -1.31 -3.98 4.77 6.02 -1.26 -4.93 117.38 113.68 1t61 n GLN 123 Ca -0.13 0.87 -0.11 0.00 -0.01 0.00 0.00 57.00 57.62 1t61 n GLN 123 Cb 0.96 -5.26 -0.03 0.00 1.02 0.00 0.00 30.24 26.92 1t61 n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t61 s THR 124 N -2.80 0.00 -1.31 5.09 -4.23 -1.26 0.01 115.64 111.15 1t61 s THR 124 Ca 0.00 -1.37 0.24 0.00 -1.18 0.00 0.00 61.69 59.39 1t61 s THR 124 Cb 0.00 -2.47 0.36 0.00 1.34 0.00 0.00 72.50 71.73 1t61 s THR 124 CO 0.00 0.00 1.81 2.30 -0.54 0.00 0.00 174.62 178.19 1t61 n ILE 125 N -0.48 0.25 -2.92 2.99 -0.00 -1.26 -2.04 119.36 115.90 1t61 n ILE 125 Ca -0.02 0.06 -0.34 0.00 -0.00 0.00 0.00 62.75 62.45 1t61 n ILE 125 Cb 0.61 -0.65 -0.07 0.00 -0.00 0.00 0.00 39.64 39.53 1t61 n ILE 125 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 1t61 s GLN 126 N -2.69 4.27 0.00 6.28 -1.52 -1.26 -4.81 119.66 119.93 1t61 s GLN 126 Ca 0.20 1.04 -0.30 0.00 -1.95 0.00 0.00 55.36 54.34 1t61 s GLN 126 Cb 0.16 -2.49 -0.04 0.00 -0.22 0.00 0.00 33.01 30.42 1t61 s GLN 126 CO 0.39 0.15 1.10 0.42 -0.25 0.00 0.00 175.29 177.11 1t61 s ILE 127 N -1.90 4.44 0.19 1.08 -1.09 -1.26 -4.45 121.20 118.22 1t61 s ILE 127 Ca 0.54 1.75 -0.30 0.00 -2.23 0.00 0.00 60.65 60.42 1t61 s ILE 127 Cb -0.13 -4.12 -0.08 0.00 -1.58 0.00 0.00 42.46 36.55 1t61 s ILE 127 CO 0.18 0.10 1.14 -2.16 -1.23 0.00 0.00 174.94 172.97 1t61 s PRO 128 N 1.33 4.55 0.51 2.79 0.04 -1.26 -5.00 135.00 137.96 1t61 s PRO 128 Ca 0.55 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 63.19 1t61 s PRO 128 Cb -0.25 -3.25 -0.08 0.00 0.04 0.00 0.00 34.50 30.97 1t61 s PRO 128 CO 0.26 0.02 1.06 -0.65 0.04 0.00 0.00 177.00 177.73 1t61 s GLN 129 N -0.45 3.66 0.32 4.56 -0.21 -1.26 -4.58 119.66 121.70 1t61 s GLN 129 Ca 0.50 1.41 -0.27 0.00 0.02 0.00 0.00 55.36 57.02 1t61 s GLN 129 Cb -0.31 -2.07 -0.10 0.00 1.00 0.00 0.00 33.01 31.53 1t61 s GLN 129 CO 0.37 -0.55 0.98 0.00 -2.12 0.00 0.00 175.29 173.96 1t61 n PRO 131 N 0.66 0.12 -1.77 0.00 -0.02 -1.26 -4.79 135.00 127.94 1t61 n PRO 131 Ca 0.02 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 1t61 n PRO 131 Cb 0.49 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1t61 n PRO 131 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t61 s THR 132 N -2.10 2.07 0.00 3.45 2.01 -1.26 -1.25 115.64 118.56 1t61 s THR 132 Ca 0.66 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1t61 s THR 132 Cb -0.30 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1t61 s THR 132 CO 0.58 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 1t61 n GLY 133 N 2.80 0.69 3.53 4.40 0.00 -1.26 -5.06 105.19 110.29 1t61 n GLY 133 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1t61 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t61 s TRP 134 N -2.55 2.65 0.08 1.61 0.52 -0.38 -2.69 118.94 118.18 1t61 s TRP 134 Ca 0.00 -0.20 0.09 0.00 0.02 0.00 0.00 56.10 56.01 1t61 s TRP 134 Cb 0.00 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 1t61 s TRP 134 CO 0.00 0.38 -0.21 -1.12 0.02 0.00 0.00 176.95 176.02 1t61 s SER 135 N -1.99 3.62 0.18 2.95 0.01 0.67 -4.74 113.70 114.41 1t61 s SER 135 Ca 0.19 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 1t61 s SER 135 Cb -0.11 -0.46 -0.08 0.00 0.21 0.00 0.00 66.02 65.59 1t61 s SER 135 CO 0.11 0.22 1.07 -0.55 0.41 0.00 0.00 173.24 174.50 1t61 s SER 136 N -1.74 7.32 -0.18 2.44 0.15 -1.26 -0.29 113.70 120.14 1t61 s SER 136 Ca 0.15 2.06 0.04 0.00 0.70 0.00 0.00 55.95 58.89 1t61 s SER 136 Cb -0.10 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.47 1t61 s SER 136 CO 0.06 -0.17 -0.12 0.18 1.20 0.00 0.00 173.24 174.39 1t61 n LEU 137 N 2.29 2.38 -3.59 3.45 4.77 0.77 -4.91 117.00 122.15 1t61 n LEU 137 Ca 0.02 -0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 1t61 n LEU 137 Cb 0.46 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1t61 n LEU 137 CO 0.53 0.72 0.89 -1.66 -1.33 0.00 0.00 177.39 176.54 1t61 s TRP 138 N -2.36 -0.18 0.22 -1.77 -2.14 -1.19 -4.89 118.94 106.63 1t61 s TRP 138 Ca -0.21 0.06 0.10 0.00 2.66 0.00 0.00 56.10 58.72 1t61 s TRP 138 Cb 0.06 0.54 -0.04 0.00 -3.10 0.00 0.00 33.47 30.93 1t61 s TRP 138 CO 0.46 -0.39 -0.14 0.96 -2.66 0.00 0.00 176.95 175.18 1t61 s ILE 139 N -2.73 2.88 0.00 0.66 -4.36 -1.26 -0.65 121.20 115.74 1t61 s ILE 139 Ca 0.09 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1t61 s ILE 139 Cb -0.00 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.25 1t61 s ILE 139 CO -0.05 -0.23 0.00 0.61 0.24 0.00 0.00 174.94 175.51 1t61 n GLY 140 N -0.25 2.65 3.27 6.27 0.00 -0.18 -4.48 105.19 112.47 1t61 n GLY 140 Ca -0.09 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1t61 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 141 N -1.37 2.06 -0.61 1.61 1.51 0.59 -1.75 117.35 119.39 1t61 s TYR 141 Ca 0.00 -0.39 -0.27 0.00 -1.01 0.00 0.00 57.07 55.41 1t61 s TYR 141 Cb 0.00 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1t61 s TYR 141 CO 0.00 -0.01 1.83 -1.12 -1.11 0.00 0.00 175.55 175.14 1t61 s SER 142 N -0.66 5.34 -0.30 2.29 0.01 -0.61 -1.93 113.70 117.83 1t61 s SER 142 Ca 0.09 0.33 -0.14 0.00 1.31 0.00 0.00 55.95 57.54 1t61 s SER 142 Cb -0.09 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1t61 s SER 142 CO -0.00 -2.33 0.31 0.12 0.41 0.00 0.00 173.24 171.75 1t61 s PHE 143 N 8.83 3.23 -0.24 2.43 5.36 0.23 -1.52 117.98 136.30 1t61 s PHE 143 Ca 0.66 0.14 -0.15 0.00 -0.96 0.00 0.00 56.93 56.63 1t61 s PHE 143 Cb -0.13 -2.54 -0.10 0.00 -0.34 0.00 0.00 43.02 39.91 1t61 s PHE 143 CO 0.21 -0.29 -0.34 0.28 -1.46 0.00 0.00 175.22 173.62 1t61 n VAL 144 N 5.14 1.47 -3.80 3.12 0.31 0.06 -4.40 118.33 120.24 1t61 n VAL 144 Ca -0.10 -0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 1t61 n VAL 144 Cb 0.51 -2.00 0.01 0.00 -0.91 0.00 0.00 33.84 31.45 1t61 n VAL 144 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1t61 n MET 145 N -4.26 0.96 -3.44 5.55 0.00 -1.10 -0.57 117.12 114.25 1t61 n MET 145 Ca -0.41 -2.18 -0.11 0.00 0.00 0.00 0.00 57.70 55.00 1t61 n MET 145 Cb 0.76 2.55 -0.02 0.00 0.00 0.00 0.00 33.22 36.51 1t61 n MET 145 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t61 s HIS 146 N -2.80 -0.50 0.04 3.17 -3.43 -0.68 -0.32 115.29 110.77 1t61 s HIS 146 Ca 0.18 0.32 -0.06 0.00 -0.80 0.00 0.00 55.06 54.69 1t61 s HIS 146 Cb -0.04 0.55 -0.01 0.00 -1.43 0.00 0.00 32.58 31.66 1t61 s HIS 146 CO 0.13 -0.78 0.12 0.95 -2.00 0.00 0.00 174.74 173.16 1t61 s THR 147 N -3.56 0.12 0.00 -5.38 -4.23 -0.73 -2.83 115.64 99.04 1t61 s THR 147 Ca 0.02 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1t61 s THR 147 Cb -0.01 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.97 1t61 s THR 147 CO -0.12 -0.57 0.00 -0.24 -0.54 0.00 0.00 174.62 173.16 1t61 n SER 148 N 0.80 0.00 -4.65 3.99 2.88 -0.07 -1.08 113.62 115.49 1t61 n SER 148 Ca -0.19 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 56.87 1t61 n SER 148 Cb 0.58 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 1t61 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t61 n ALA 149 N -3.00 0.69 -1.32 -1.46 0.00 -1.26 -1.02 120.51 113.14 1t61 n ALA 149 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 1t61 n ALA 149 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 1t61 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 150 N 3.11 1.14 2.53 0.00 0.00 -1.26 -1.86 105.19 108.86 1t61 n GLY 150 Ca 0.17 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1t61 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t61 n ALA 151 N 1.20 -0.25 -2.30 4.61 0.00 -0.19 -4.98 120.51 118.60 1t61 n ALA 151 Ca -0.11 0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.33 1t61 n ALA 151 Cb 0.47 -1.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 1t61 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t61 s GLU 152 N -3.40 3.51 0.00 0.00 0.41 -0.77 -4.72 118.70 113.73 1t61 s GLU 152 Ca 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 1t61 s GLU 152 Cb 0.00 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 1t61 s GLU 152 CO 0.00 -0.19 0.00 0.41 -0.49 0.00 0.00 175.26 174.99 1t61 n GLY 153 N -2.22 -0.74 1.40 -1.39 0.00 -1.26 -0.90 105.19 100.08 1t61 n GLY 153 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 1t61 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t61 n SER 154 N 0.20 -0.76 -1.92 1.61 3.41 -1.13 -4.70 113.62 110.33 1t61 n SER 154 Ca 0.00 -1.66 -0.06 0.00 -0.26 0.00 0.00 58.87 56.89 1t61 n SER 154 Cb 0.00 1.30 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 1t61 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t61 n GLY 155 N -0.21 2.38 3.64 5.00 0.00 -1.26 -1.69 105.19 113.04 1t61 n GLY 155 Ca -0.02 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 1t61 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t61 s GLN 156 N -2.30 2.29 -0.16 1.61 -1.52 0.26 -4.76 119.66 115.08 1t61 s GLN 156 Ca 0.12 -1.28 -0.25 0.00 -1.95 0.00 0.00 55.36 52.00 1t61 s GLN 156 Cb -0.01 -2.23 -0.02 0.00 -0.22 0.00 0.00 33.01 30.54 1t61 s GLN 156 CO 0.09 0.41 0.83 0.00 -0.25 0.00 0.00 175.29 176.36 1t61 s ALA 157 N -1.99 3.50 0.15 6.09 0.00 -1.26 -4.92 121.76 123.33 1t61 s ALA 157 Ca 0.29 0.05 0.31 0.00 0.00 0.00 0.00 51.96 52.61 1t61 s ALA 157 Cb -0.08 -3.21 1.69 0.00 0.00 0.00 0.00 23.12 21.52 1t61 s ALA 157 CO 0.18 -0.60 1.96 -0.07 0.00 0.00 0.00 175.76 177.23 1t61 h LEU 158 N 8.19 0.00 0.00 0.00 3.38 -1.95 0.15 115.31 125.07 1t61 h LEU 158 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1t61 h LEU 158 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1t61 h LEU 158 CO 0.83 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 178.75 1t61 n ALA 159 N -1.91 3.24 -2.05 1.53 0.00 -1.26 -4.59 120.51 115.47 1t61 n ALA 159 Ca -0.02 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.76 1t61 n ALA 159 Cb 0.06 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 1t61 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t61 s SER 160 N -3.64 7.05 0.54 0.00 0.15 0.51 -1.18 113.70 117.13 1t61 s SER 160 Ca 0.08 1.47 0.36 0.00 0.70 0.00 0.00 55.95 58.56 1t61 s SER 160 Cb 0.15 -2.44 1.86 0.00 -1.71 0.00 0.00 66.02 63.88 1t61 s SER 160 CO 0.72 -0.04 2.10 -0.65 1.20 0.00 0.00 173.24 176.57 1t61 h PRO 161 N 3.12 0.00 0.00 5.44 0.11 -1.84 -1.71 132.00 137.11 1t61 h PRO 161 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1t61 h PRO 161 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1t61 h PRO 161 CO 0.65 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.22 1t61 h GLY 162 N 0.56 0.00 -0.76 -0.55 0.00 -1.85 -0.39 103.07 100.08 1t61 h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t61 h GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 163 N -2.95 1.49 -3.81 0.19 3.41 -0.64 -4.56 113.62 106.75 1t61 n SER 163 Ca -0.01 -1.75 -0.29 0.00 -0.26 0.00 0.00 58.87 56.55 1t61 n SER 163 Cb 0.18 -0.12 -0.13 0.00 -0.26 0.00 0.00 64.21 63.87 1t61 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 165 N -0.05 4.43 0.42 0.00 1.43 -0.81 -4.74 118.68 119.36 1t61 s LEU 165 Ca 0.18 1.57 0.21 0.00 -1.03 0.00 0.00 54.13 55.07 1t61 s LEU 165 Cb -0.22 -3.39 0.92 0.00 0.03 0.00 0.00 46.19 43.52 1t61 s LEU 165 CO -0.02 -0.08 1.84 -0.33 0.23 0.00 0.00 176.35 178.00 1t61 h GLU 166 N 5.98 0.00 -4.51 1.70 5.08 -1.88 0.17 114.58 121.12 1t61 h GLU 166 Ca -0.43 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.37 1t61 h GLU 166 Cb 1.21 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.10 1t61 h GLU 166 CO 0.72 0.28 -0.82 -1.21 -1.00 0.00 0.00 179.01 176.98 1t61 s GLU 167 N -3.81 1.94 0.10 2.33 2.02 -1.26 -4.76 118.70 115.25 1t61 s GLU 167 Ca -0.01 -0.43 -0.31 0.00 0.02 0.00 0.00 54.97 54.24 1t61 s GLU 167 Cb 0.12 -1.80 -0.07 0.00 0.10 0.00 0.00 34.13 32.48 1t61 s GLU 167 CO 0.65 -0.19 1.29 0.12 0.02 0.00 0.00 175.26 177.16 1t61 s PHE 168 N 1.38 3.34 -0.05 1.61 2.19 -1.26 -4.98 117.98 120.21 1t61 s PHE 168 Ca 0.01 1.14 0.00 0.00 0.33 0.00 0.00 56.93 58.41 1t61 s PHE 168 Cb -0.13 -3.55 0.02 0.00 -1.31 0.00 0.00 43.02 38.05 1t61 s PHE 168 CO -0.07 -1.82 -0.02 1.03 1.83 0.00 0.00 175.22 176.17 1t61 s ARG 169 N 0.97 0.67 0.37 10.12 1.81 -1.26 -5.00 118.95 126.64 1t61 s ARG 169 Ca 0.61 -0.00 0.07 0.00 -1.72 0.00 0.00 55.73 54.69 1t61 s ARG 169 Cb -0.33 -0.84 0.74 0.00 -0.45 0.00 0.00 34.95 34.07 1t61 s ARG 169 CO 0.30 -0.17 1.93 1.03 -0.68 0.00 0.00 175.30 177.71 1t61 h SER 170 N 7.62 0.36 -3.19 0.23 0.87 -2.00 -3.25 113.55 114.19 1t61 h SER 170 Ca -0.32 -0.06 -0.62 0.00 -1.23 0.00 0.00 61.79 59.57 1t61 h SER 170 Cb 1.14 -0.09 -0.41 0.00 -0.44 0.00 0.00 62.40 62.60 1t61 h SER 170 CO 0.39 0.43 -0.66 0.00 -0.53 0.00 0.00 176.83 176.46 1t61 s ALA 171 N -4.95 3.17 -1.34 6.23 0.00 -1.26 -4.43 121.76 119.18 1t61 s ALA 171 Ca -0.07 -3.40 0.30 0.00 0.00 0.00 0.00 51.96 48.79 1t61 s ALA 171 Cb 0.16 -2.04 1.46 0.00 0.00 0.00 0.00 23.12 22.70 1t61 s ALA 171 CO 0.74 -2.06 2.03 -0.35 0.00 0.00 0.00 175.76 176.12 1t61 n PRO 172 N 2.43 0.34 -4.09 0.00 -0.04 -1.23 -4.84 135.00 127.57 1t61 n PRO 172 Ca 0.18 -0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1t61 n PRO 172 Cb 0.37 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 1t61 n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 173 N -2.66 0.67 0.10 0.54 -0.71 -1.26 -0.59 117.98 114.07 1t61 s PHE 173 Ca 0.26 -1.09 0.09 0.00 -1.04 0.00 0.00 56.93 55.15 1t61 s PHE 173 Cb 0.20 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 1t61 s PHE 173 CO 0.48 -0.51 -0.22 -1.50 -1.34 0.00 0.00 175.22 172.12 1t61 s ILE 174 N -3.99 1.83 -0.19 -4.49 2.07 0.03 -4.78 121.20 111.67 1t61 s ILE 174 Ca 0.18 -1.57 -0.09 0.00 -1.41 0.00 0.00 60.65 57.75 1t61 s ILE 174 Cb 0.07 -1.65 -0.05 0.00 0.13 0.00 0.00 42.46 40.97 1t61 s ILE 174 CO -0.02 -0.01 0.11 -0.70 -1.91 0.00 0.00 174.94 172.40 1t61 s GLU 175 N -1.90 4.09 0.17 3.50 2.12 -0.81 -2.28 118.70 123.58 1t61 s GLU 175 Ca 0.08 -0.26 0.10 0.00 0.36 0.00 0.00 54.97 55.25 1t61 s GLU 175 Cb -0.10 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1t61 s GLU 175 CO 0.04 0.32 -0.21 0.00 -0.54 0.00 0.00 175.26 174.87 1t61 s HIS 177 N -1.77 2.30 0.63 0.00 0.09 0.15 -1.50 115.29 115.20 1t61 s HIS 177 Ca 0.17 -0.33 0.35 0.00 -0.00 0.00 0.00 55.06 55.24 1t61 s HIS 177 Cb -0.07 -1.03 2.01 0.00 -0.00 0.00 0.00 32.58 33.48 1t61 s HIS 177 CO 0.08 0.66 2.24 0.78 -0.00 0.00 0.00 174.74 178.49 1t61 h GLY 178 N 2.50 0.00 2.00 -2.22 0.00 -1.58 -0.68 103.07 103.09 1t61 h GLY 178 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1t61 h GLY 178 CO 0.57 0.00 -0.04 3.21 0.00 0.00 0.00 176.54 180.28 1t61 h ARG 179 N 0.00 0.00 0.00 4.80 3.08 -1.87 -3.45 114.38 116.94 1t61 h ARG 179 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1t61 h ARG 179 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1t61 h ARG 179 CO -0.00 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1t61 n GLY 180 N -0.29 1.16 3.81 0.04 0.00 -0.26 -5.07 105.19 104.58 1t61 n GLY 180 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1t61 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 181 N -2.00 4.86 0.03 2.61 -4.23 -1.25 -3.90 115.64 111.76 1t61 s THR 181 Ca 0.00 -0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1t61 s THR 181 Cb 0.00 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 1t61 s THR 181 CO 0.00 0.30 -0.02 0.00 -0.54 0.00 0.00 174.62 174.36 1t61 s ASN 183 N -1.74 -0.10 -0.23 0.00 2.47 0.56 -0.14 114.94 115.76 1t61 s ASN 183 Ca -0.11 -0.22 -0.09 0.00 0.42 0.00 0.00 52.86 52.85 1t61 s ASN 183 Cb -0.06 0.27 -0.04 0.00 -1.45 0.00 0.00 41.25 39.96 1t61 s ASN 183 CO -0.03 -0.50 0.11 -0.31 -3.72 0.00 0.00 177.10 172.65 1t61 s TYR 184 N -2.71 3.21 0.17 0.43 1.51 -1.26 -1.93 117.35 116.78 1t61 s TYR 184 Ca 0.14 -0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.25 1t61 s TYR 184 Cb 0.03 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 1t61 s TYR 184 CO -0.02 -0.05 -0.04 0.71 -1.11 0.00 0.00 175.55 175.04 1t61 s TYR 185 N 1.06 2.77 0.64 2.71 1.51 -1.26 -5.02 117.35 119.77 1t61 s TYR 185 Ca 0.05 -0.16 0.38 0.00 -1.01 0.00 0.00 57.07 56.33 1t61 s TYR 185 Cb -0.14 -1.36 2.12 0.00 -0.11 0.00 0.00 41.96 42.48 1t61 s TYR 185 CO 0.04 0.51 2.27 0.00 -1.11 0.00 0.00 175.55 177.26 1t61 h ALA 186 N 2.84 1.26 -0.45 3.71 0.00 -2.03 -2.03 119.26 122.55 1t61 h ALA 186 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t61 h ALA 186 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t61 h ALA 186 CO 0.56 -0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.01 1t61 n ASN 187 N -3.33 2.60 -4.60 0.00 6.94 -1.26 -4.84 115.26 110.77 1t61 n ASN 187 Ca -0.02 -1.97 -0.43 0.00 -0.02 0.00 0.00 54.58 52.14 1t61 n ASN 187 Cb 0.14 -0.30 -0.02 0.00 -2.36 0.00 0.00 39.78 37.23 1t61 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t61 s ALA 188 N -1.40 3.12 -0.08 -2.53 0.00 -0.77 -4.30 121.76 115.80 1t61 s ALA 188 Ca 0.33 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1t61 s ALA 188 Cb 0.18 -3.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1t61 s ALA 188 CO 0.24 -2.28 -0.12 0.71 0.00 0.00 0.00 175.76 174.31 1t61 s TYR 189 N 4.89 2.80 -0.11 0.00 4.12 -0.24 -4.99 117.35 123.82 1t61 s TYR 189 Ca 0.54 -0.23 0.01 0.00 0.02 0.00 0.00 57.07 57.41 1t61 s TYR 189 Cb -0.11 -1.72 -0.02 0.00 -1.52 0.00 0.00 41.96 38.60 1t61 s TYR 189 CO 0.31 0.12 -0.13 -1.54 0.02 0.00 0.00 175.55 174.33 1t61 s SER 190 N -0.44 4.03 -0.13 2.29 1.04 -1.26 -1.77 113.70 117.46 1t61 s SER 190 Ca 0.06 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.18 1t61 s SER 190 Cb -0.12 -1.43 -0.02 0.00 0.10 0.00 0.00 66.02 64.55 1t61 s SER 190 CO 0.02 0.21 -0.09 -0.36 0.98 0.00 0.00 173.24 174.00 1t61 s PHE 191 N 0.08 2.90 0.12 5.02 0.08 0.57 -4.99 117.98 121.76 1t61 s PHE 191 Ca -0.05 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.66 1t61 s PHE 191 Cb -0.15 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1t61 s PHE 191 CO 0.04 -0.05 -0.13 -1.58 -0.10 0.00 0.00 175.22 173.40 1t61 s TRP 192 N 0.13 1.35 0.35 0.36 0.52 -1.26 -0.76 118.94 119.64 1t61 s TRP 192 Ca -0.04 -0.57 -0.28 0.00 0.02 0.00 0.00 56.10 55.23 1t61 s TRP 192 Cb -0.14 -0.71 -0.10 0.00 -1.15 0.00 0.00 33.47 31.37 1t61 s TRP 192 CO 0.04 0.12 1.27 -0.51 0.02 0.00 0.00 176.95 177.90 1t61 s LEU 193 N -2.46 4.36 0.48 2.99 1.43 -0.58 -4.87 118.68 120.03 1t61 s LEU 193 Ca 0.09 2.61 -0.01 0.00 -1.03 0.00 0.00 54.13 55.79 1t61 s LEU 193 Cb -0.05 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1t61 s LEU 193 CO 0.03 -0.60 0.72 0.00 0.23 0.00 0.00 176.35 176.72 1t61 s ALA 194 N -1.20 3.69 0.07 4.21 0.00 -1.26 -1.10 121.76 126.17 1t61 s ALA 194 Ca 0.51 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 1t61 s ALA 194 Cb -0.38 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.47 1t61 s ALA 194 CO 0.49 -0.47 0.61 0.95 0.00 0.00 0.00 175.76 177.34 1t61 s THR 195 N -2.64 4.71 -0.07 0.00 -4.23 -1.18 -4.41 115.64 107.82 1t61 s THR 195 Ca 0.50 1.30 0.00 0.00 -1.18 0.00 0.00 61.69 62.31 1t61 s THR 195 Cb -0.10 -3.94 0.02 0.00 1.34 0.00 0.00 72.50 69.82 1t61 s THR 195 CO 0.39 0.53 -0.05 -0.63 -0.54 0.00 0.00 174.62 174.32 1t61 s ILE 196 N -0.95 0.69 0.41 2.99 1.01 0.10 -4.94 121.20 120.51 1t61 s ILE 196 Ca 0.30 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 1t61 s ILE 196 Cb -0.20 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.44 1t61 s ILE 196 CO 0.20 0.29 0.86 -1.61 0.00 0.00 0.00 174.94 174.68 1t61 s GLU 197 N 1.42 4.04 0.28 2.79 0.41 -1.26 -4.78 118.70 121.60 1t61 s GLU 197 Ca -0.02 0.86 0.02 0.00 -0.41 0.00 0.00 54.97 55.42 1t61 s GLU 197 Cb -0.13 -2.28 0.64 0.00 -1.78 0.00 0.00 34.13 30.57 1t61 s GLU 197 CO -0.03 -0.02 1.75 -0.09 -0.49 0.00 0.00 175.26 176.38 1t61 h ARG 198 N 1.74 0.61 0.00 1.61 2.43 -2.00 0.15 114.38 118.91 1t61 h ARG 198 Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1t61 h ARG 198 Cb 1.18 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1t61 h ARG 198 CO 0.63 0.40 0.00 -1.13 -1.51 0.00 0.00 179.97 178.36 1t61 n SER 199 N -4.87 0.00 0.02 -3.80 3.41 -1.26 -3.05 113.62 104.07 1t61 n SER 199 Ca 0.20 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 1t61 n SER 199 Cb 0.52 -0.48 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1t61 n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t61 n GLU 200 N -1.48 0.25 -0.14 4.33 1.02 0.50 -4.48 120.64 120.63 1t61 n GLU 200 Ca 0.06 -0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 1t61 n GLU 200 Cb 0.27 -1.57 0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1t61 n GLU 200 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1t61 h MET 201 N 0.00 -0.06 -1.36 3.49 2.86 -1.41 -2.85 114.93 115.60 1t61 h MET 201 Ca 0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.02 1t61 h MET 201 Cb 0.69 0.01 -0.38 0.00 0.06 0.00 0.00 31.60 31.99 1t61 h MET 201 CO 0.00 -0.04 -0.18 1.19 1.06 0.00 0.00 176.91 178.93 1t61 n PHE 202 N -5.37 3.14 -4.18 -0.22 3.01 -1.26 -4.96 117.46 107.61 1t61 n PHE 202 Ca 0.03 -2.72 -0.17 0.00 1.01 0.00 0.00 57.45 55.61 1t61 n PHE 202 Cb 0.28 -0.54 -0.11 0.00 -0.01 0.00 0.00 39.48 39.09 1t61 n PHE 202 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1t61 s LYS 203 N -3.70 0.86 0.13 -1.08 1.02 -1.08 -5.10 119.74 110.79 1t61 s LYS 203 Ca 0.52 -1.08 -0.35 0.00 0.02 0.00 0.00 55.97 55.09 1t61 s LYS 203 Cb 0.42 -0.71 -0.14 0.00 -0.52 0.00 0.00 37.83 36.88 1t61 s LYS 203 CO -0.16 0.14 1.53 1.17 -0.92 0.00 0.00 175.35 177.11 1t61 n LYS 204 N 0.88 1.90 -1.74 1.68 4.81 -1.26 -4.86 118.16 119.57 1t61 n LYS 204 Ca -0.18 0.69 -0.41 0.00 -0.87 0.00 0.00 58.31 57.54 1t61 n LYS 204 Cb 0.56 -2.43 0.01 0.00 0.02 0.00 0.00 35.03 33.19 1t61 n LYS 204 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t61 n PRO 205 N 3.31 2.20 -3.05 1.64 -0.02 -1.26 -4.93 135.00 132.89 1t61 n PRO 205 Ca 0.18 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 1t61 n PRO 205 Cb 0.26 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 1t61 n PRO 205 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t61 s THR 206 N -1.17 4.82 0.49 3.45 2.01 -1.26 -5.02 115.64 118.96 1t61 s THR 206 Ca 0.59 0.65 -0.24 0.00 0.31 0.00 0.00 61.69 63.00 1t61 s THR 206 Cb -0.49 -4.14 -0.07 0.00 0.01 0.00 0.00 72.50 67.82 1t61 s THR 206 CO 0.59 -0.39 1.36 -2.84 -0.69 0.00 0.00 174.62 172.66 1t61 s PRO 207 N 2.87 3.49 -0.12 4.92 0.02 -1.26 -5.02 135.00 139.89 1t61 s PRO 207 Ca 0.27 2.26 -0.20 0.00 0.02 0.00 0.00 61.00 63.35 1t61 s PRO 207 Cb -0.14 -2.48 0.05 0.00 0.02 0.00 0.00 34.50 31.95 1t61 s PRO 207 CO 0.16 -0.92 0.51 -1.54 -0.33 0.00 0.00 177.00 174.88 1t61 s SER 208 N -0.79 -0.49 -0.19 2.53 1.04 -1.26 -5.13 113.70 109.41 1t61 s SER 208 Ca 0.65 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.85 1t61 s SER 208 Cb -0.41 0.78 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1t61 s SER 208 CO 0.50 -0.34 -0.14 -0.89 0.98 0.00 0.00 173.24 173.35 1t61 s THR 209 N -0.43 1.80 -0.03 2.02 2.01 -1.26 -5.12 115.64 114.63 1t61 s THR 209 Ca -0.06 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 1t61 s THR 209 Cb -0.03 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1t61 s THR 209 CO 0.04 0.32 0.03 -0.76 -0.69 0.00 0.00 174.62 173.56 1t61 s LEU 210 N 1.36 3.70 0.47 4.42 1.43 -1.26 -5.13 118.68 123.67 1t61 s LEU 210 Ca 0.01 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1t61 s LEU 210 Cb -0.15 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1t61 s LEU 210 CO -0.10 0.30 0.11 -0.54 0.23 0.00 0.00 176.35 176.36 1t61 s LYS 211 N -1.45 2.16 -0.12 1.70 1.02 -1.26 -4.89 119.74 116.90 1t61 s LYS 211 Ca 0.19 -2.13 -0.40 0.00 0.02 0.00 0.00 55.97 53.64 1t61 s LYS 211 Cb -0.12 -1.76 -0.18 0.00 -0.52 0.00 0.00 37.83 35.25 1t61 s LYS 211 CO 0.09 -0.27 1.37 0.00 -0.92 0.00 0.00 175.35 175.62 1t61 n ALA 212 N -1.27 -1.82 0.00 5.17 0.00 -1.26 -1.17 120.51 120.15 1t61 n ALA 212 Ca -0.09 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1t61 n ALA 212 Cb 0.66 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1t61 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 213 N 2.74 1.57 0.16 0.00 0.00 -1.26 -4.86 105.19 103.54 1t61 n GLY 213 Ca 0.23 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1t61 n GLY 213 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t61 n GLU 214 N 0.00 1.14 0.00 1.61 1.02 -0.32 -4.82 120.64 119.27 1t61 n GLU 214 Ca 0.00 -2.43 -0.02 0.00 -0.02 0.00 0.00 57.16 54.69 1t61 n GLU 214 Cb 0.00 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 1t61 n GLU 214 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1t61 h LEU 215 N 0.07 -0.10 -2.03 -4.62 3.38 -1.89 -3.35 115.31 106.76 1t61 h LEU 215 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1t61 h LEU 215 Cb 1.05 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1t61 h LEU 215 CO 0.00 0.35 0.36 0.03 0.09 0.00 0.00 178.44 179.28 1t61 h ARG 216 N -0.96 0.00 -0.00 1.13 3.08 -1.94 -2.17 114.38 113.53 1t61 h ARG 216 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1t61 h ARG 216 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1t61 h ARG 216 CO 0.02 0.00 -0.00 -2.37 -1.07 0.00 0.00 179.97 176.55 1t61 n THR 217 N -3.40 0.00 -0.37 2.04 5.66 -1.26 -3.19 114.28 113.77 1t61 n THR 217 Ca 0.03 -0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.07 1t61 n THR 217 Cb 0.48 -0.49 0.07 0.00 -1.55 0.00 0.00 70.33 68.84 1t61 n THR 217 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1t61 n HIS 218 N -1.34 0.08 -4.05 1.09 -0.00 -0.81 -4.82 115.22 105.37 1t61 n HIS 218 Ca 0.12 -0.66 -0.34 0.00 -0.00 0.00 0.00 57.72 56.84 1t61 n HIS 218 Cb 0.27 -0.09 -0.10 0.00 -0.00 0.00 0.00 29.99 30.06 1t61 n HIS 218 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1t61 s VAL 219 N -1.63 4.60 0.42 3.57 1.01 -1.19 -3.11 120.40 124.07 1t61 s VAL 219 Ca 0.13 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 1t61 s VAL 219 Cb 0.11 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.31 1t61 s VAL 219 CO 0.03 0.46 1.19 -0.24 0.00 0.00 0.00 175.10 176.53 1t61 n SER 220 N 3.64 2.14 -4.97 3.32 2.88 -0.26 -4.63 113.62 115.73 1t61 n SER 220 Ca -0.17 1.09 -0.21 0.00 -1.33 0.00 0.00 58.87 58.26 1t61 n SER 220 Cb 0.52 -1.45 -0.01 0.00 -0.75 0.00 0.00 64.21 62.52 1t61 n SER 220 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t61 s ARG 221 N -2.13 3.23 0.18 -1.46 1.81 -0.86 -1.57 118.95 118.14 1t61 s ARG 221 Ca 0.62 -0.80 -0.10 0.00 -1.72 0.00 0.00 55.73 53.73 1t61 s ARG 221 Cb -0.53 -2.78 -0.00 0.00 -0.45 0.00 0.00 34.95 31.18 1t61 s ARG 221 CO 0.58 0.11 0.33 0.00 -0.68 0.00 0.00 175.30 175.64 1t61 s GLN 223 N -3.97 0.03 -0.23 0.00 0.74 -0.52 -1.01 119.66 114.70 1t61 s GLN 223 Ca 0.18 0.04 -0.10 0.00 0.05 0.00 0.00 55.36 55.53 1t61 s GLN 223 Cb 0.02 0.00 -0.05 0.00 1.10 0.00 0.00 33.01 34.09 1t61 s GLN 223 CO 0.01 -0.01 0.13 0.08 -0.55 0.00 0.00 175.29 174.96 1t61 s VAL 224 N 0.05 5.17 0.19 1.34 1.01 0.17 -1.14 120.40 127.19 1t61 s VAL 224 Ca -0.00 0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1t61 s VAL 224 Cb -0.01 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1t61 s VAL 224 CO -0.00 0.37 -0.19 0.00 0.00 0.00 0.00 175.10 175.27 1t61 s MET 226 N -2.91 2.00 -1.25 0.00 -2.45 0.60 -1.02 119.30 114.27 1t61 s MET 226 Ca 0.19 -0.91 -0.18 0.00 -1.25 0.00 0.00 55.69 53.54 1t61 s MET 226 Cb -0.06 -1.96 -0.01 0.00 1.25 0.00 0.00 34.83 34.06 1t61 s MET 226 CO 0.08 0.53 2.01 -2.13 1.05 0.00 0.00 175.02 176.56 1t61 n ARG 227 N 2.40 2.53 0.00 4.11 0.00 -0.40 -0.23 116.66 125.07 1t61 n ARG 227 Ca -0.16 -2.61 0.00 0.00 -0.00 0.00 0.00 57.85 55.08 1t61 n ARG 227 Cb 0.51 -3.32 0.00 0.00 0.00 0.00 0.00 32.46 29.65 1t61 n ARG 227 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50