#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 n GLY 5 N 0.00 1.40 3.78 -1.41 0.00 -1.26 -5.07 105.19 102.62 1t60 n GLY 5 Ca 0.00 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1t60 n GLY 5 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t60 s PHE 6 N -2.00 2.71 0.14 1.61 0.40 -1.20 -4.89 117.98 114.74 1t60 s PHE 6 Ca 0.00 1.55 0.05 0.00 -0.60 0.00 0.00 56.93 57.93 1t60 s PHE 6 Cb 0.00 -3.21 -0.04 0.00 0.51 0.00 0.00 43.02 40.28 1t60 s PHE 6 CO 0.00 -1.51 -0.12 -0.51 0.70 0.00 0.00 175.22 173.77 1t60 s LEU 7 N -4.14 2.46 -0.11 -0.37 1.43 -1.26 -0.35 118.68 116.33 1t60 s LEU 7 Ca 0.70 -0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1t60 s LEU 7 Cb -0.22 -0.48 0.04 0.00 0.03 0.00 0.00 46.19 45.57 1t60 s LEU 7 CO 0.31 -0.22 0.28 0.54 0.23 0.00 0.00 176.35 177.50 1t60 s VAL 8 N -2.62 -0.02 -0.04 -1.59 0.11 -0.06 -4.79 120.40 111.39 1t60 s VAL 8 Ca 0.12 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1t60 s VAL 8 Cb -0.02 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1t60 s VAL 8 CO 0.02 0.03 0.03 -0.89 -3.33 0.00 0.00 175.10 170.96 1t60 s THR 9 N 0.82 4.43 0.03 5.04 2.01 -1.13 -0.24 115.64 126.60 1t60 s THR 9 Ca -0.05 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.65 1t60 s THR 9 Cb -0.07 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 1t60 s THR 9 CO -0.05 0.48 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.57 1t60 s ARG 10 N -1.28 1.34 -0.13 4.92 3.52 -0.07 -4.73 118.95 122.51 1t60 s ARG 10 Ca 0.17 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1t60 s ARG 10 Cb -0.12 -1.39 0.01 0.00 -1.56 0.00 0.00 34.95 31.89 1t60 s ARG 10 CO 0.07 0.36 -0.21 -1.01 -0.81 0.00 0.00 175.30 173.71 1t60 s HIS 11 N -0.70 2.55 0.02 5.12 3.76 -1.26 -0.76 115.29 124.01 1t60 s HIS 11 Ca 0.06 -1.27 0.16 0.00 -0.15 0.00 0.00 55.06 53.86 1t60 s HIS 11 Cb -0.08 -1.74 0.30 0.00 1.11 0.00 0.00 32.58 32.17 1t60 s HIS 11 CO 0.01 -0.58 1.55 0.66 -0.85 0.00 0.00 174.74 175.53 1t60 h SER 12 N 7.32 0.00 -1.89 1.40 4.64 -1.37 -3.46 113.55 120.19 1t60 h SER 12 Ca -0.32 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.63 1t60 h SER 12 Cb 1.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 1t60 h SER 12 CO 0.54 0.50 -0.42 0.00 -0.87 0.00 0.00 176.83 176.58 1t60 n GLN 13 N -3.37 -1.40 -4.15 4.77 6.02 -1.26 -4.95 117.38 113.04 1t60 n GLN 13 Ca 0.01 1.01 -0.17 0.00 -0.01 0.00 0.00 57.00 57.84 1t60 n GLN 13 Cb 0.66 -5.44 -0.05 0.00 1.02 0.00 0.00 30.24 26.43 1t60 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 14 N -2.83 0.00 -1.74 5.09 -4.23 -1.26 -4.00 115.64 106.67 1t60 s THR 14 Ca 0.00 -1.72 0.30 0.00 -1.18 0.00 0.00 61.69 59.09 1t60 s THR 14 Cb 0.00 -2.62 0.60 0.00 1.34 0.00 0.00 72.50 71.82 1t60 s THR 14 CO 0.00 0.00 2.00 0.35 -0.54 0.00 0.00 174.62 176.43 1t60 n THR 15 N -0.60 0.00 -3.69 3.99 -2.24 -1.26 -1.96 114.28 108.52 1t60 n THR 15 Ca 0.03 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1t60 n THR 15 Cb 0.62 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1t60 n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t60 s ASP 16 N -2.35 6.50 0.20 3.42 1.01 -1.26 -4.83 116.67 119.36 1t60 s ASP 16 Ca 0.34 0.58 -0.30 0.00 0.71 0.00 0.00 52.55 53.88 1t60 s ASP 16 Cb 0.21 -2.09 -0.09 0.00 1.01 0.00 0.00 42.92 41.95 1t60 s ASP 16 CO 0.43 0.10 1.40 -1.81 0.21 0.00 0.00 175.17 175.51 1t60 s ASP 17 N -2.27 6.75 0.52 0.27 1.01 -1.26 -4.49 116.67 117.21 1t60 s ASP 17 Ca 0.38 2.51 -0.12 0.00 0.71 0.00 0.00 52.55 56.03 1t60 s ASP 17 Cb -0.13 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.14 1t60 s ASP 17 CO 0.23 -0.65 0.93 -2.16 0.21 0.00 0.00 175.17 173.73 1t60 s PRO 18 N 0.16 3.76 0.06 8.23 0.04 -1.26 -5.01 135.00 140.98 1t60 s PRO 18 Ca 0.61 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1t60 s PRO 18 Cb -0.39 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1t60 s PRO 18 CO 0.38 -0.31 0.07 1.14 0.04 0.00 0.00 177.00 178.32 1t60 s GLN 19 N -4.45 2.90 0.31 4.56 -2.07 -1.26 -4.67 119.66 114.98 1t60 s GLN 19 Ca 0.55 -0.66 -0.29 0.00 -1.82 0.00 0.00 55.36 53.14 1t60 s GLN 19 Cb -0.10 -2.74 -0.10 0.00 -1.09 0.00 0.00 33.01 28.97 1t60 s GLN 19 CO 0.40 0.58 1.39 0.00 -1.32 0.00 0.00 175.29 176.34 1t60 s PRO 21 N -1.34 2.15 0.32 0.00 0.02 -1.26 -4.87 135.00 130.02 1t60 s PRO 21 Ca 0.54 1.68 -0.28 0.00 0.02 0.00 0.00 61.00 62.95 1t60 s PRO 21 Cb -0.42 -1.84 -0.13 0.00 0.02 0.00 0.00 34.50 32.13 1t60 s PRO 21 CO 0.52 -1.81 1.26 -2.30 -0.33 0.00 0.00 177.00 174.34 1t60 n PRO 22 N -2.80 2.00 -0.03 5.54 -0.02 -1.26 -1.93 135.00 136.50 1t60 n PRO 22 Ca 0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1t60 n PRO 22 Cb 0.51 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1t60 n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t60 n GLY 23 N 0.98 0.33 3.22 -1.23 0.00 -1.26 -4.97 105.19 102.27 1t60 n GLY 23 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1t60 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 24 N -2.10 0.88 0.00 2.61 -4.23 -0.81 -4.32 115.64 107.66 1t60 s THR 24 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1t60 s THR 24 Cb 0.00 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 1t60 s THR 24 CO 0.00 -0.71 -0.16 -1.59 -0.54 0.00 0.00 174.62 171.63 1t60 s LYS 25 N -3.82 1.19 0.29 3.99 -2.85 -0.81 -4.72 119.74 113.00 1t60 s LYS 25 Ca 0.17 -0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 54.21 1t60 s LYS 25 Cb 0.05 -1.18 -0.11 0.00 -2.06 0.00 0.00 37.83 34.53 1t60 s LYS 25 CO -0.00 0.31 1.49 -1.50 0.10 0.00 0.00 175.35 175.75 1t60 s ILE 26 N -0.51 2.38 -0.20 3.79 1.10 -1.26 -0.80 121.20 125.70 1t60 s ILE 26 Ca 0.05 0.33 -0.10 0.00 -0.51 0.00 0.00 60.65 60.43 1t60 s ILE 26 Cb -0.07 -3.21 -0.08 0.00 0.15 0.00 0.00 42.46 39.25 1t60 s ILE 26 CO 0.00 0.06 -0.25 0.18 -2.11 0.00 0.00 174.94 172.82 1t60 n LEU 27 N 1.88 1.39 -3.58 8.50 4.32 0.16 -4.86 117.00 124.81 1t60 n LEU 27 Ca 0.06 0.24 -0.05 0.00 -0.02 0.00 0.00 56.01 56.23 1t60 n LEU 27 Cb 0.39 -0.58 -0.02 0.00 -1.62 0.00 0.00 43.42 41.59 1t60 n LEU 27 CO 0.62 0.41 0.95 -0.72 -1.22 0.00 0.00 177.39 177.43 1t60 s TYR 28 N -2.36 -0.18 0.39 -1.77 -0.85 -1.20 -5.01 117.35 106.37 1t60 s TYR 28 Ca -0.27 0.14 0.08 0.00 -0.52 0.00 0.00 57.07 56.49 1t60 s TYR 28 Cb 0.10 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 1t60 s TYR 28 CO 0.34 -0.26 0.29 -1.01 -1.52 0.00 0.00 175.55 173.39 1t60 s HIS 29 N -2.37 2.72 0.00 -3.49 3.76 -1.26 -1.04 115.29 113.60 1t60 s HIS 29 Ca 0.08 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1t60 s HIS 29 Cb -0.01 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.69 1t60 s HIS 29 CO -0.05 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 1t60 n GLY 30 N -1.40 1.62 3.58 -2.22 0.00 -0.58 -4.58 105.19 101.60 1t60 n GLY 30 Ca 0.01 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1t60 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 31 N -1.95 2.90 -0.81 1.61 2.02 0.13 -1.18 117.35 120.07 1t60 s TYR 31 Ca 0.00 -0.01 -0.25 0.00 -0.37 0.00 0.00 57.07 56.43 1t60 s TYR 31 Cb 0.00 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1t60 s TYR 31 CO 0.00 0.34 1.62 -1.12 -1.57 0.00 0.00 175.55 174.82 1t60 s SER 32 N -1.02 5.78 -0.14 2.29 0.01 -0.56 -1.78 113.70 118.29 1t60 s SER 32 Ca 0.14 -0.53 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 1t60 s SER 32 Cb -0.11 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1t60 s SER 32 CO 0.03 -2.10 0.78 -0.22 0.41 0.00 0.00 173.24 172.14 1t60 s LEU 33 N 7.40 4.22 -0.20 2.44 2.96 0.23 -1.08 118.68 134.64 1t60 s LEU 33 Ca 0.54 1.16 -0.16 0.00 -0.22 0.00 0.00 54.13 55.45 1t60 s LEU 33 Cb -0.07 -3.17 -0.11 0.00 0.50 0.00 0.00 46.19 43.33 1t60 s LEU 33 CO 0.07 -0.31 -0.09 -0.11 -1.32 0.00 0.00 176.35 174.59 1t60 n LEU 34 N 4.79 1.88 -3.77 -0.68 7.94 0.52 -4.52 117.00 123.15 1t60 n LEU 34 Ca 0.02 0.45 -0.03 0.00 -1.11 0.00 0.00 56.01 55.34 1t60 n LEU 34 Cb 0.50 -0.88 -0.01 0.00 0.53 0.00 0.00 43.42 43.56 1t60 n LEU 34 CO 0.48 0.06 0.74 -0.72 -1.11 0.00 0.00 177.39 176.84 1t60 s TYR 35 N -2.44 -0.08 0.21 1.96 1.13 -1.05 -2.12 117.35 114.95 1t60 s TYR 35 Ca -0.27 -0.24 0.05 0.00 -1.41 0.00 0.00 57.07 55.19 1t60 s TYR 35 Cb 0.07 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.53 1t60 s TYR 35 CO 0.45 -0.85 -0.05 0.14 -2.51 0.00 0.00 175.55 172.73 1t60 s VAL 36 N -3.04 1.22 -0.15 -3.49 -7.23 -0.43 -0.21 120.40 107.07 1t60 s VAL 36 Ca 0.14 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1t60 s VAL 36 Cb -0.01 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.79 1t60 s VAL 36 CO 0.03 -0.46 0.06 -1.58 -0.31 0.00 0.00 175.10 172.83 1t60 s GLN 37 N -3.79 0.32 -0.06 4.82 0.74 -0.45 -1.25 119.66 119.98 1t60 s GLN 37 Ca 0.25 -0.11 0.05 0.00 0.05 0.00 0.00 55.36 55.59 1t60 s GLN 37 Cb 0.04 -1.65 -0.00 0.00 1.10 0.00 0.00 33.01 32.50 1t60 s GLN 37 CO 0.07 -0.57 -0.21 0.20 -0.55 0.00 0.00 175.29 174.22 1t60 s GLY 38 N 2.03 1.15 -1.50 2.59 0.00 -0.67 -1.74 107.32 109.18 1t60 s GLY 38 Ca 0.02 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 1t60 s GLY 38 CO -0.07 -0.42 0.97 -2.01 0.00 0.00 0.00 173.10 171.57 1t60 n ASN 39 N 3.22 -5.06 -2.07 1.64 4.05 -1.26 -1.07 115.26 114.70 1t60 n ASN 39 Ca -0.18 -0.71 -0.18 0.00 0.45 0.00 0.00 54.58 53.96 1t60 n ASN 39 Cb 0.52 -4.04 -0.03 0.00 1.23 0.00 0.00 39.78 37.46 1t60 n ASN 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1t60 n GLU 40 N -4.66 -1.69 -4.78 1.20 -0.58 -1.26 -4.98 120.64 103.90 1t60 n GLU 40 Ca 0.03 0.95 -0.33 0.00 -0.42 0.00 0.00 57.16 57.39 1t60 n GLU 40 Cb 0.53 -5.47 -0.16 0.00 -0.57 0.00 0.00 31.44 25.77 1t60 n GLU 40 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1t60 s ARG 41 N -4.46 3.14 0.28 3.49 3.00 -0.23 -5.05 118.95 119.12 1t60 s ARG 41 Ca 0.00 -0.81 -0.15 0.00 -1.00 0.00 0.00 55.73 53.78 1t60 s ARG 41 Cb 0.00 -2.49 -0.08 0.00 0.00 0.00 0.00 34.95 32.38 1t60 s ARG 41 CO 0.00 0.07 0.69 0.00 0.00 0.00 0.00 175.30 176.07 1t60 s ALA 42 N 0.64 3.39 -0.16 6.12 0.00 -1.26 -1.66 121.76 128.82 1t60 s ALA 42 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1t60 s ALA 42 Cb -0.16 -2.71 0.08 0.00 0.00 0.00 0.00 23.12 20.33 1t60 s ALA 42 CO 0.02 0.37 0.31 -1.58 0.00 0.00 0.00 175.76 174.88 1t60 s HIS 43 N -1.86 -0.54 0.46 0.00 2.46 -0.38 -4.95 115.29 110.48 1t60 s HIS 43 Ca 0.51 1.06 0.08 0.00 0.47 0.00 0.00 55.06 57.18 1t60 s HIS 43 Cb -0.12 0.03 0.02 0.00 -0.13 0.00 0.00 32.58 32.39 1t60 s HIS 43 CO 0.19 -0.42 0.54 0.20 -2.47 0.00 0.00 174.74 172.77 1t60 s GLY 44 N 2.47 2.01 -0.13 1.59 0.00 -1.26 -1.32 107.32 110.67 1t60 s GLY 44 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.94 1t60 s GLY 44 CO -0.10 -1.64 -0.12 1.20 0.00 0.00 0.00 173.10 172.44 1t60 s GLN 45 N -4.34 2.03 0.01 2.90 -1.52 -0.90 -4.97 119.66 112.87 1t60 s GLN 45 Ca 0.52 -0.45 -0.34 0.00 -1.95 0.00 0.00 55.36 53.13 1t60 s GLN 45 Cb -0.06 -1.92 -0.13 0.00 -0.22 0.00 0.00 33.01 30.68 1t60 s GLN 45 CO 0.31 -0.24 1.74 -3.47 -0.25 0.00 0.00 175.29 173.38 1t60 n ASP 46 N 4.80 3.23 0.10 5.90 2.03 -1.26 -4.69 116.55 126.65 1t60 n ASP 46 Ca -0.16 1.02 0.07 0.00 0.52 0.00 0.00 54.79 56.25 1t60 n ASP 46 Cb 0.50 -1.38 0.37 0.00 -0.72 0.00 0.00 41.12 39.89 1t60 n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1t60 n LEU 47 N 5.16 0.35 -0.50 -2.67 4.77 -1.26 -1.20 117.00 121.66 1t60 n LEU 47 Ca 0.20 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.98 1t60 n LEU 47 Cb 0.28 -0.70 0.43 0.00 -2.33 0.00 0.00 43.42 41.11 1t60 n LEU 47 CO 0.69 -0.76 0.78 0.61 -1.33 0.00 0.00 177.39 177.39 1t60 n GLY 48 N -1.27 0.01 3.67 -0.72 0.00 -1.26 -4.40 105.19 101.23 1t60 n GLY 48 Ca -0.01 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1t60 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 49 N -2.11 3.64 0.37 2.61 -4.23 -0.34 -2.82 115.64 112.75 1t60 s THR 49 Ca 0.34 -1.71 0.38 0.00 -1.18 0.00 0.00 61.69 59.51 1t60 s THR 49 Cb 0.20 -2.91 0.39 0.00 1.34 0.00 0.00 72.50 71.52 1t60 s THR 49 CO 0.37 -0.29 2.15 0.00 -0.54 0.00 0.00 174.62 176.31 1t60 h ALA 50 N 2.08 1.00 0.00 3.99 0.00 -1.91 -2.06 119.26 122.37 1t60 h ALA 50 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1t60 h ALA 50 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t60 h ALA 50 CO 0.59 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.62 1t60 h GLY 51 N 0.35 0.00 -1.42 0.00 0.00 -1.95 -1.08 103.07 98.96 1t60 h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 52 N -2.76 2.29 -3.84 0.19 3.41 -0.77 -4.68 113.62 107.46 1t60 n SER 52 Ca -0.00 -1.87 -0.30 0.00 -0.26 0.00 0.00 58.87 56.43 1t60 n SER 52 Cb 0.20 -0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1t60 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 54 N 1.04 4.33 0.36 0.00 1.43 -0.73 -4.81 118.68 120.29 1t60 s LEU 54 Ca 0.12 0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 1t60 s LEU 54 Cb -0.20 -2.13 0.69 0.00 0.03 0.00 0.00 46.19 44.58 1t60 s LEU 54 CO -0.14 0.31 1.90 0.03 0.23 0.00 0.00 176.35 178.69 1t60 h ARG 55 N 5.59 0.40 -6.17 1.70 3.08 -1.88 0.36 114.38 117.47 1t60 h ARG 55 Ca -0.50 -0.09 -0.69 0.00 0.07 0.00 0.00 59.98 58.78 1t60 h ARG 55 Cb 1.20 -0.06 -0.30 0.00 0.08 0.00 0.00 29.97 30.90 1t60 h ARG 55 CO 0.65 0.47 -0.86 0.15 -1.07 0.00 0.00 179.97 179.31 1t60 s LYS 56 N -4.88 2.48 0.16 0.04 1.02 -1.26 -4.63 119.74 112.66 1t60 s LYS 56 Ca -0.07 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1t60 s LYS 56 Cb 0.15 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1t60 s LYS 56 CO 0.75 0.45 0.32 0.12 -0.92 0.00 0.00 175.35 176.07 1t60 s PHE 57 N -0.33 3.49 -0.22 3.18 2.19 -1.26 -4.92 117.98 120.11 1t60 s PHE 57 Ca 0.02 0.19 -0.29 0.00 0.33 0.00 0.00 56.93 57.18 1t60 s PHE 57 Cb -0.12 -1.73 0.14 0.00 -1.31 0.00 0.00 43.02 40.00 1t60 s PHE 57 CO 0.02 0.47 1.11 0.45 1.83 0.00 0.00 175.22 179.11 1t60 s SER 58 N -3.20 -0.29 0.50 6.13 0.15 -1.26 -5.01 113.70 110.73 1t60 s SER 58 Ca 0.36 0.39 0.33 0.00 0.70 0.00 0.00 55.95 57.73 1t60 s SER 58 Cb -0.11 0.34 1.42 0.00 -1.71 0.00 0.00 66.02 65.95 1t60 s SER 58 CO 0.29 -0.22 1.97 0.71 1.20 0.00 0.00 173.24 177.18 1t60 h THR 59 N 2.69 0.00 -2.71 6.45 1.35 -1.94 -3.33 112.91 115.42 1t60 h THR 59 Ca -0.19 -0.38 -0.59 0.00 -0.55 0.00 0.00 66.41 64.69 1t60 h THR 59 Cb 1.17 1.32 -0.39 0.00 -1.73 0.00 0.00 68.15 68.52 1t60 h THR 59 CO 0.25 0.00 -0.82 -0.32 -0.25 0.00 0.00 175.52 174.38 1t60 s MET 60 N -3.66 0.91 0.00 4.72 -2.45 -1.26 -4.01 119.30 113.55 1t60 s MET 60 Ca 0.01 -1.73 0.12 0.00 -1.25 0.00 0.00 55.69 52.84 1t60 s MET 60 Cb 0.09 -1.75 0.47 0.00 1.25 0.00 0.00 34.83 34.90 1t60 s MET 60 CO 0.49 -1.22 1.34 -0.35 1.05 0.00 0.00 175.02 176.33 1t60 n PRO 61 N 3.65 1.48 -4.14 4.11 -0.04 -1.25 -4.91 135.00 133.89 1t60 n PRO 61 Ca 0.13 -0.74 -0.11 0.00 -0.04 0.00 0.00 63.50 62.74 1t60 n PRO 61 Cb 0.37 -1.24 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 1t60 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 62 N -1.77 0.94 0.19 0.54 -0.71 -1.26 -5.10 117.98 110.80 1t60 s PHE 62 Ca 0.21 -1.20 -0.03 0.00 -1.04 0.00 0.00 56.93 54.87 1t60 s PHE 62 Cb 0.11 -0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.53 1t60 s PHE 62 CO 0.16 -0.73 0.17 -0.48 -1.34 0.00 0.00 175.22 172.99 1t60 s LEU 63 N -3.12 1.17 0.12 -1.99 0.05 -1.26 -4.53 118.68 109.12 1t60 s LEU 63 Ca 0.34 -1.26 0.06 0.00 0.05 0.00 0.00 54.13 53.32 1t60 s LEU 63 Cb 0.05 0.58 -0.04 0.00 -2.05 0.00 0.00 46.19 44.73 1t60 s LEU 63 CO 0.11 -0.86 -0.14 0.72 -0.55 0.00 0.00 176.35 175.64 1t60 s PHE 64 N -4.11 1.39 0.15 3.48 -0.12 -0.85 -4.98 117.98 112.93 1t60 s PHE 64 Ca 0.32 -0.57 0.04 0.00 -0.05 0.00 0.00 56.93 56.68 1t60 s PHE 64 Cb 0.06 -0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 1t60 s PHE 64 CO 0.09 0.14 -0.10 0.00 -0.05 0.00 0.00 175.22 175.29 1t60 s ASN 66 N -3.16 2.16 0.48 0.00 2.47 -0.80 -4.99 114.94 111.09 1t60 s ASN 66 Ca 0.17 -1.13 0.32 0.00 0.42 0.00 0.00 52.86 52.64 1t60 s ASN 66 Cb 0.03 -0.06 1.74 0.00 -1.45 0.00 0.00 41.25 41.50 1t60 s ASN 66 CO 0.00 -0.37 1.98 -0.29 -3.72 0.00 0.00 177.10 174.70 1t60 h ILE 67 N 2.52 0.00 0.00 -5.21 2.10 -2.02 0.41 117.51 115.30 1t60 h ILE 67 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.56 1t60 h ILE 67 Cb 1.22 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 1t60 h ILE 67 CO 0.64 0.00 0.00 -0.46 -1.08 0.00 0.00 178.15 177.25 1t60 n ASN 68 N -2.63 0.15 -3.67 2.19 6.94 -1.26 -4.84 115.26 112.13 1t60 n ASN 68 Ca -0.02 -1.82 -0.24 0.00 -0.02 0.00 0.00 54.58 52.48 1t60 n ASN 68 Cb 0.06 -0.07 0.06 0.00 -2.36 0.00 0.00 39.78 37.47 1t60 n ASN 68 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1t60 n ASN 69 N -0.41 -4.08 -3.96 0.53 3.02 0.13 -5.01 115.26 105.48 1t60 n ASN 69 Ca 0.00 -0.68 -0.23 0.00 -0.03 0.00 0.00 54.58 53.65 1t60 n ASN 69 Cb 0.04 -4.55 -0.16 0.00 -0.61 0.00 0.00 39.78 34.49 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1t60 s VAL 70 N -3.39 0.86 0.05 2.41 1.01 -1.24 -4.99 120.40 115.11 1t60 s VAL 70 Ca 0.38 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1t60 s VAL 70 Cb -0.18 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1t60 s VAL 70 CO 0.77 0.30 -0.06 0.00 0.00 0.00 0.00 175.10 176.11 1t60 s ASN 72 N -1.80 2.33 -0.15 0.00 0.01 0.72 -4.98 114.94 111.07 1t60 s ASN 72 Ca 0.20 -0.41 -0.00 0.00 -0.71 0.00 0.00 52.86 51.94 1t60 s ASN 72 Cb -0.11 -1.06 -0.01 0.00 0.41 0.00 0.00 41.25 40.48 1t60 s ASN 72 CO 0.11 0.06 -0.14 0.12 -1.51 0.00 0.00 177.10 175.74 1t60 s PHE 73 N 0.70 2.80 -1.49 2.20 5.36 -1.26 -2.01 117.98 124.28 1t60 s PHE 73 Ca -0.13 -0.94 -0.13 0.00 -0.96 0.00 0.00 56.93 54.77 1t60 s PHE 73 Cb -0.16 -1.89 0.10 0.00 -0.34 0.00 0.00 43.02 40.72 1t60 s PHE 73 CO 0.03 -0.42 0.74 0.00 -1.46 0.00 0.00 175.22 174.12 1t60 n ALA 74 N 3.99 -1.18 -2.32 11.12 0.00 -1.26 -4.89 120.51 125.97 1t60 n ALA 74 Ca -0.19 0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 1t60 n ALA 74 Cb 0.52 -3.61 0.02 0.00 0.00 0.00 0.00 19.45 16.38 1t60 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t60 n SER 75 N -2.57 4.06 0.00 0.00 7.64 -1.26 -4.85 113.62 116.63 1t60 n SER 75 Ca 0.03 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.52 1t60 n SER 75 Cb 0.52 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1t60 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t60 n ARG 76 N -0.58 0.00 -2.92 1.43 0.63 -1.26 -5.08 116.66 108.88 1t60 n ARG 76 Ca 0.34 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.14 1t60 n ARG 76 Cb 0.85 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.79 1t60 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t60 n ASN 77 N 0.00 -0.38 -4.98 6.15 5.03 -1.26 -4.95 115.26 114.88 1t60 n ASN 77 Ca 0.00 -3.14 -0.21 0.00 0.87 0.00 0.00 54.58 52.10 1t60 n ASN 77 Cb 0.00 0.38 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 1t60 n ASN 77 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1t60 s ASP 78 N -2.03 5.87 0.24 6.41 -0.00 -1.26 -4.87 116.67 121.03 1t60 s ASP 78 Ca 0.31 0.00 0.08 0.00 -0.00 0.00 0.00 52.55 52.94 1t60 s ASP 78 Cb 0.35 -1.32 -0.05 0.00 -0.00 0.00 0.00 42.92 41.90 1t60 s ASP 78 CO -0.06 -0.58 -0.12 -0.31 -0.00 0.00 0.00 175.17 174.10 1t60 s TYR 79 N -2.36 1.85 0.01 4.23 1.51 -0.71 -1.61 117.35 120.26 1t60 s TYR 79 Ca 0.47 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1t60 s TYR 79 Cb -0.10 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 1t60 s TYR 79 CO 0.34 0.37 -0.02 -1.54 -1.11 0.00 0.00 175.55 173.60 1t60 s SER 80 N -3.38 0.14 -0.05 2.29 1.04 -0.51 -1.34 113.70 111.90 1t60 s SER 80 Ca 0.25 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.55 1t60 s SER 80 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1t60 s SER 80 CO 0.09 -0.09 -0.15 -0.31 0.98 0.00 0.00 173.24 173.76 1t60 s TYR 81 N -0.47 1.61 0.07 5.02 2.02 0.71 -0.45 117.35 125.86 1t60 s TYR 81 Ca -0.05 -0.49 0.05 0.00 -0.37 0.00 0.00 57.07 56.21 1t60 s TYR 81 Cb -0.03 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1t60 s TYR 81 CO -0.00 -0.19 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.06 1t60 s TRP 82 N 0.19 1.26 0.43 2.71 0.52 -0.90 -0.35 118.94 122.80 1t60 s TRP 82 Ca -0.06 -0.45 -0.25 0.00 0.02 0.00 0.00 56.10 55.36 1t60 s TRP 82 Cb -0.12 -0.71 -0.08 0.00 -1.15 0.00 0.00 33.47 31.41 1t60 s TRP 82 CO 0.03 0.07 1.27 -0.51 0.02 0.00 0.00 176.95 177.82 1t60 s LEU 83 N -1.72 4.12 0.49 2.99 1.43 -0.24 -0.57 118.68 125.19 1t60 s LEU 83 Ca -0.01 2.56 0.05 0.00 -1.03 0.00 0.00 54.13 55.71 1t60 s LEU 83 Cb -0.10 -4.03 -0.00 0.00 0.03 0.00 0.00 46.19 42.08 1t60 s LEU 83 CO 0.02 -0.94 0.27 -0.94 0.23 0.00 0.00 176.35 174.99 1t60 s SER 84 N -0.94 4.52 0.57 2.29 1.04 -0.02 -1.47 113.70 119.69 1t60 s SER 84 Ca 0.60 -1.22 0.08 0.00 0.48 0.00 0.00 55.95 55.89 1t60 s SER 84 Cb -0.36 0.08 0.07 0.00 0.10 0.00 0.00 66.02 65.92 1t60 s SER 84 CO 0.45 -0.86 0.67 0.42 0.98 0.00 0.00 173.24 174.90 1t60 s THR 85 N -2.71 1.94 -2.00 2.02 -4.23 -0.54 -4.50 115.64 105.62 1t60 s THR 85 Ca 0.33 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.72 1t60 s THR 85 Cb 0.00 -2.11 0.15 0.00 1.34 0.00 0.00 72.50 71.88 1t60 s THR 85 CO 0.19 0.00 1.15 -0.81 -0.54 0.00 0.00 174.62 174.61 1t60 n PRO 86 N -2.09 0.94 -1.68 3.99 -0.04 -1.26 -4.86 135.00 130.00 1t60 n PRO 86 Ca 0.10 0.00 -0.52 0.00 -0.04 0.00 0.00 63.50 63.04 1t60 n PRO 86 Cb 0.63 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.94 1t60 n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t60 n GLU 87 N -0.59 1.68 -1.70 0.54 4.07 -1.26 -4.89 120.64 118.49 1t60 n GLU 87 Ca 0.04 0.61 -0.34 0.00 -0.06 0.00 0.00 57.16 57.41 1t60 n GLU 87 Cb 0.02 -2.37 0.06 0.00 -0.06 0.00 0.00 31.44 29.09 1t60 n GLU 87 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1t60 s PRO 88 N 3.22 2.57 0.33 5.31 0.04 -1.26 -4.98 135.00 140.24 1t60 s PRO 88 Ca 0.93 1.67 -0.28 0.00 0.04 0.00 0.00 61.00 63.36 1t60 s PRO 88 Cb -0.86 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.69 1t60 s PRO 88 CO 0.55 -1.48 1.18 1.41 0.04 0.00 0.00 177.00 178.71 1t60 s MET 89 N -3.79 4.38 0.49 4.56 1.75 -1.26 -4.96 119.30 120.47 1t60 s MET 89 Ca 0.73 1.94 -0.22 0.00 -1.25 0.00 0.00 55.69 56.89 1t60 s MET 89 Cb -0.27 -3.00 -0.08 0.00 2.84 0.00 0.00 34.83 34.32 1t60 s MET 89 CO 0.40 -0.07 1.07 -2.30 -0.65 0.00 0.00 175.02 173.47 1t60 n PRO 90 N 0.74 1.34 -0.09 4.11 -0.02 -1.26 -4.86 135.00 134.96 1t60 n PRO 90 Ca 0.01 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1t60 n PRO 90 Cb 0.44 -2.18 0.50 0.00 -0.02 0.00 0.00 33.50 32.24 1t60 n PRO 90 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t60 h MET 91 N 1.30 0.41 0.00 -0.52 2.86 -1.98 0.55 114.93 117.55 1t60 h MET 91 Ca -0.47 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.10 1t60 h MET 91 Cb 1.34 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1t60 h MET 91 CO 0.55 0.27 -0.21 0.66 1.06 0.00 0.00 176.91 179.24 1t60 h SER 92 N 0.42 0.00 -0.45 1.22 4.64 -2.04 -3.46 113.55 113.89 1t60 h SER 92 Ca 0.29 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.42 1t60 h SER 92 Cb 0.57 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.58 1t60 h SER 92 CO -0.08 0.21 -0.17 0.23 -0.87 0.00 0.00 176.83 176.14 1t60 n MET 93 N -3.46 -1.13 -2.96 4.77 0.00 0.18 -4.99 117.12 109.54 1t60 n MET 93 Ca -0.00 0.78 -0.25 0.00 0.00 0.00 0.00 57.70 58.22 1t60 n MET 93 Cb 0.39 -4.86 -0.00 0.00 0.00 0.00 0.00 33.22 28.75 1t60 n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t60 s ALA 94 N -2.11 3.57 0.27 3.04 0.00 -1.26 -4.98 121.76 120.29 1t60 s ALA 94 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1t60 s ALA 94 Cb 0.00 -2.32 -0.14 0.00 0.00 0.00 0.00 23.12 20.66 1t60 s ALA 94 CO 0.00 -0.27 1.23 -2.30 0.00 0.00 0.00 175.76 174.42 1t60 n PRO 95 N -2.07 1.75 -3.26 0.00 -0.02 -1.26 -4.87 135.00 125.26 1t60 n PRO 95 Ca -0.01 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 1t60 n PRO 95 Cb 0.56 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 1t60 n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t60 s ILE 96 N -0.66 4.73 0.18 4.25 1.01 0.10 -4.86 121.20 125.95 1t60 s ILE 96 Ca 0.62 1.18 0.01 0.00 0.00 0.00 0.00 60.65 62.46 1t60 s ILE 96 Cb -0.67 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1t60 s ILE 96 CO 0.57 0.47 0.03 0.42 0.00 0.00 0.00 174.94 176.43 1t60 s THR 97 N -1.21 0.53 0.00 2.92 -4.23 -1.26 -1.50 115.64 110.89 1t60 s THR 97 Ca 0.32 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1t60 s THR 97 Cb -0.19 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1t60 s THR 97 CO 0.20 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1t60 n GLY 98 N -0.26 1.79 0.33 3.99 0.00 -1.26 -1.77 105.19 108.01 1t60 n GLY 98 Ca -0.05 -0.34 0.18 0.00 0.00 0.00 0.00 46.02 45.82 1t60 n GLY 98 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1t60 h GLU 99 N 0.00 0.00 0.00 1.61 4.57 -1.99 -1.07 114.58 117.70 1t60 h GLU 99 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1t60 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1t60 h GLU 99 CO 0.00 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.92 1t60 n ASN 100 N -3.52 0.13 0.06 1.04 3.02 -0.73 -2.11 115.26 113.15 1t60 n ASN 100 Ca -0.01 0.54 -0.14 0.00 -0.03 0.00 0.00 54.58 54.95 1t60 n ASN 100 Cb 0.25 -0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 38.71 1t60 n ASN 100 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1t60 h ILE 101 N 0.00 1.29 -0.85 2.41 2.04 -1.24 -3.39 117.51 117.77 1t60 h ILE 101 Ca 0.00 -2.96 0.19 0.00 1.00 0.00 0.00 64.86 63.10 1t60 h ILE 101 Cb 0.16 2.78 -0.16 0.00 -0.74 0.00 0.00 36.82 38.86 1t60 h ILE 101 CO 0.00 0.83 -0.08 -0.09 0.00 0.00 0.00 178.15 178.81 1t60 h ARG 102 N 0.05 0.04 0.00 2.37 2.43 -1.59 0.10 114.38 117.78 1t60 h ARG 102 Ca -0.18 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1t60 h ARG 102 Cb 1.96 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 1t60 h ARG 102 CO 0.16 0.03 0.05 -1.35 -1.51 0.00 0.00 179.97 177.35 1t60 h PRO 103 N 0.04 0.00 0.00 0.20 0.11 -1.78 -2.69 132.00 127.88 1t60 h PRO 103 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1t60 h PRO 103 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1t60 h PRO 103 CO -0.81 0.00 -0.90 0.74 -0.21 0.00 0.00 178.00 176.82 1t60 h PHE 104 N 0.00 0.00 -3.34 0.65 -1.00 -1.05 -3.42 116.94 108.78 1t60 h PHE 104 Ca 0.00 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 1t60 h PHE 104 Cb 0.11 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.59 1t60 h PHE 104 CO 0.00 0.00 -0.11 0.42 -1.61 0.00 0.00 178.31 177.01 1t60 s ILE 105 N -3.30 5.17 0.55 -0.55 -1.09 -1.02 -1.46 121.20 119.50 1t60 s ILE 105 Ca 0.02 1.01 -0.18 0.00 -2.23 0.00 0.00 60.65 59.26 1t60 s ILE 105 Cb 0.11 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 1t60 s ILE 105 CO 0.77 0.31 1.08 -0.55 -1.23 0.00 0.00 174.94 175.32 1t60 s SER 106 N 0.67 5.85 0.24 3.58 0.15 -0.54 -4.38 113.70 119.27 1t60 s SER 106 Ca 0.27 2.00 0.07 0.00 0.70 0.00 0.00 55.95 58.99 1t60 s SER 106 Cb -0.15 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1t60 s SER 106 CO 0.11 -1.12 0.17 -0.13 1.20 0.00 0.00 173.24 173.47 1t60 s ARG 107 N -3.54 2.88 0.18 5.44 1.81 -0.83 -1.50 118.95 123.40 1t60 s ARG 107 Ca 0.68 -1.05 -0.01 0.00 -1.72 0.00 0.00 55.73 53.63 1t60 s ARG 107 Cb -0.19 -2.55 -0.04 0.00 -0.45 0.00 0.00 34.95 31.72 1t60 s ARG 107 CO 0.29 0.41 0.12 0.00 -0.68 0.00 0.00 175.30 175.44 1t60 s ALA 109 N -4.13 0.08 -0.24 0.00 0.00 0.06 -1.53 121.76 116.00 1t60 s ALA 109 Ca 0.35 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 1t60 s ALA 109 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1t60 s ALA 109 CO 0.09 -0.02 0.12 0.08 0.00 0.00 0.00 175.76 176.03 1t60 s VAL 110 N 0.34 4.98 0.02 0.00 1.01 -0.21 -0.90 120.40 125.65 1t60 s VAL 110 Ca -0.03 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1t60 s VAL 110 Cb -0.05 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1t60 s VAL 110 CO -0.01 0.35 -0.26 0.00 0.00 0.00 0.00 175.10 175.19 1t60 s GLU 112 N -0.99 4.25 0.06 0.00 2.12 0.02 -0.88 118.70 123.28 1t60 s GLU 112 Ca 0.11 0.67 0.09 0.00 0.36 0.00 0.00 54.97 56.20 1t60 s GLU 112 Cb -0.10 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1t60 s GLU 112 CO 0.01 0.44 -0.24 0.00 -0.54 0.00 0.00 175.26 174.93 1t60 s ALA 113 N -0.41 2.10 0.14 6.30 0.00 0.53 -1.92 121.76 128.49 1t60 s ALA 113 Ca 0.29 -1.23 0.26 0.00 0.00 0.00 0.00 51.96 51.28 1t60 s ALA 113 Cb -0.18 -0.41 1.01 0.00 0.00 0.00 0.00 23.12 23.54 1t60 s ALA 113 CO 0.17 0.48 1.86 -1.00 0.00 0.00 0.00 175.76 177.27 1t60 h PRO 114 N 4.65 0.00 -4.72 0.00 0.13 -1.85 -3.18 132.00 127.04 1t60 h PRO 114 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.39 1t60 h PRO 114 Cb 1.15 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 1t60 h PRO 114 CO 0.43 0.18 -0.62 0.00 -0.23 0.00 0.00 178.00 177.76 1t60 s ALA 115 N -3.68 1.40 0.30 -0.56 0.00 -1.26 -4.72 121.76 113.24 1t60 s ALA 115 Ca 0.01 -1.76 -0.29 0.00 0.00 0.00 0.00 51.96 49.91 1t60 s ALA 115 Cb 0.10 1.20 -0.10 0.00 0.00 0.00 0.00 23.12 24.32 1t60 s ALA 115 CO 0.62 -0.52 1.38 1.41 0.00 0.00 0.00 175.76 178.64 1t60 s MET 116 N -4.09 4.30 -0.09 0.00 1.75 -1.26 -4.83 119.30 115.07 1t60 s MET 116 Ca 0.37 2.27 -0.03 0.00 -1.25 0.00 0.00 55.69 57.06 1t60 s MET 116 Cb 0.07 -3.08 -0.03 0.00 2.84 0.00 0.00 34.83 34.63 1t60 s MET 116 CO 0.12 -0.31 0.03 0.08 -0.65 0.00 0.00 175.02 174.28 1t60 s VAL 117 N -0.62 4.55 0.15 10.11 1.01 -1.26 -4.37 120.40 129.97 1t60 s VAL 117 Ca 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 1t60 s VAL 117 Cb -0.41 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1t60 s VAL 117 CO 0.49 0.61 0.10 0.00 0.00 0.00 0.00 175.10 176.31 1t60 s MET 118 N -0.91 1.03 0.08 2.72 0.23 -0.26 -4.74 119.30 117.44 1t60 s MET 118 Ca 0.14 -1.45 0.10 0.00 -1.03 0.00 0.00 55.69 53.44 1t60 s MET 118 Cb -0.11 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.42 1t60 s MET 118 CO 0.03 -0.31 -0.26 0.00 -2.03 0.00 0.00 175.02 172.44 1t60 s ALA 119 N -4.07 2.27 0.08 3.16 0.00 -0.68 0.30 121.76 122.82 1t60 s ALA 119 Ca 0.27 -1.33 0.07 0.00 0.00 0.00 0.00 51.96 50.97 1t60 s ALA 119 Cb 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1t60 s ALA 119 CO 0.04 0.53 -0.18 0.14 0.00 0.00 0.00 175.76 176.29 1t60 s VAL 120 N -0.90 1.44 -0.02 0.00 -7.23 -0.62 -4.42 120.40 108.65 1t60 s VAL 120 Ca 0.12 -1.38 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 1t60 s VAL 120 Cb -0.10 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 1t60 s VAL 120 CO 0.03 -0.09 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.55 1t60 s HIS 121 N -1.14 1.66 -0.08 2.82 3.76 -1.26 -2.00 115.29 119.05 1t60 s HIS 121 Ca 0.03 -0.36 0.14 0.00 -0.15 0.00 0.00 55.06 54.73 1t60 s HIS 121 Cb -0.10 -1.08 -0.18 0.00 1.11 0.00 0.00 32.58 32.33 1t60 s HIS 121 CO 0.03 -0.07 0.77 0.66 -0.85 0.00 0.00 174.74 175.28 1t60 h SER 122 N 5.84 0.00 -1.91 1.40 4.64 -1.66 -3.48 113.55 118.37 1t60 h SER 122 Ca -0.36 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.66 1t60 h SER 122 Cb 1.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 1t60 h SER 122 CO 0.48 0.79 -0.37 0.00 -0.87 0.00 0.00 176.83 176.86 1t60 n GLN 123 N -2.98 -1.17 -4.06 4.77 6.02 -1.26 -4.92 117.38 113.78 1t60 n GLN 123 Ca -0.13 0.78 -0.13 0.00 -0.01 0.00 0.00 57.00 57.51 1t60 n GLN 123 Cb 0.94 -5.08 -0.04 0.00 1.02 0.00 0.00 30.24 27.08 1t60 n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 124 N -2.72 0.00 -1.51 5.09 -4.23 -1.26 0.21 115.64 111.22 1t60 s THR 124 Ca 0.00 -1.55 0.30 0.00 -1.18 0.00 0.00 61.69 59.25 1t60 s THR 124 Cb 0.00 -2.57 0.51 0.00 1.34 0.00 0.00 72.50 71.78 1t60 s THR 124 CO 0.00 0.00 2.00 2.30 -0.54 0.00 0.00 174.62 178.38 1t60 n ILE 125 N -0.52 0.00 -3.44 2.99 -5.35 -1.26 -2.33 119.36 109.45 1t60 n ILE 125 Ca 0.00 -0.02 -0.33 0.00 -0.27 0.00 0.00 62.75 62.14 1t60 n ILE 125 Cb 0.62 -0.37 -0.05 0.00 -1.74 0.00 0.00 39.64 38.10 1t60 n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1t60 s GLN 126 N -2.53 3.81 0.00 6.28 -0.21 -1.26 -4.84 119.66 120.91 1t60 s GLN 126 Ca 0.29 0.27 -0.30 0.00 0.02 0.00 0.00 55.36 55.64 1t60 s GLN 126 Cb 0.20 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 1t60 s GLN 126 CO 0.47 0.38 1.21 0.42 -2.12 0.00 0.00 175.29 175.64 1t60 s ILE 127 N -1.71 4.15 0.49 1.08 1.01 -1.26 -4.53 121.20 120.43 1t60 s ILE 127 Ca 0.44 1.51 -0.22 0.00 0.00 0.00 0.00 60.65 62.38 1t60 s ILE 127 Cb -0.12 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 1t60 s ILE 127 CO 0.21 0.05 1.23 -2.16 0.00 0.00 0.00 174.94 174.27 1t60 s PRO 128 N 1.68 3.52 0.35 2.79 0.04 -1.26 -5.00 135.00 137.12 1t60 s PRO 128 Ca 0.58 1.93 -0.19 0.00 0.04 0.00 0.00 61.00 63.35 1t60 s PRO 128 Cb -0.27 -2.34 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 1t60 s PRO 128 CO 0.26 -0.79 0.85 -0.65 0.04 0.00 0.00 177.00 176.70 1t60 s GLN 129 N -2.80 4.19 0.60 4.56 -1.52 -1.26 -4.66 119.66 118.78 1t60 s GLN 129 Ca 0.67 0.95 -0.16 0.00 -1.95 0.00 0.00 55.36 54.88 1t60 s GLN 129 Cb -0.33 -2.43 -0.03 0.00 -0.22 0.00 0.00 33.01 30.00 1t60 s GLN 129 CO 0.39 0.12 1.06 0.00 -0.25 0.00 0.00 175.29 176.61 1t60 n PRO 131 N -2.09 1.77 -1.63 0.00 -0.02 -1.26 -4.82 135.00 126.95 1t60 n PRO 131 Ca 0.09 0.65 -0.49 0.00 -2.02 0.00 0.00 63.50 61.72 1t60 n PRO 131 Cb 0.53 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1t60 n PRO 131 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1t60 n THR 132 N -0.86 0.03 0.00 3.45 -1.04 -1.26 -0.33 114.28 114.26 1t60 n THR 132 Ca 0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1t60 n THR 132 Cb 0.44 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1t60 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t60 n GLY 133 N 3.05 2.28 3.89 3.41 0.00 -1.26 -5.05 105.19 111.51 1t60 n GLY 133 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1t60 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t60 s TRP 134 N -2.44 3.52 0.17 1.61 0.52 0.55 -4.54 118.94 118.33 1t60 s TRP 134 Ca 0.00 0.59 0.06 0.00 0.02 0.00 0.00 56.10 56.77 1t60 s TRP 134 Cb 0.00 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1t60 s TRP 134 CO 0.00 0.49 0.08 -1.12 0.02 0.00 0.00 176.95 176.43 1t60 s SER 135 N -2.15 5.20 0.23 2.95 0.01 0.84 -4.70 113.70 116.09 1t60 s SER 135 Ca 0.36 -0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 1t60 s SER 135 Cb -0.13 -1.26 -0.09 0.00 0.21 0.00 0.00 66.02 64.76 1t60 s SER 135 CO 0.22 0.07 0.97 -0.55 0.41 0.00 0.00 173.24 174.35 1t60 s SER 136 N -3.07 7.58 -0.13 2.44 0.15 -1.26 -0.98 113.70 118.42 1t60 s SER 136 Ca 0.30 1.98 0.01 0.00 0.70 0.00 0.00 55.95 58.94 1t60 s SER 136 Cb -0.10 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.52 1t60 s SER 136 CO 0.21 0.10 -0.12 0.18 1.20 0.00 0.00 173.24 174.81 1t60 n LEU 137 N 1.56 2.93 -3.62 3.45 4.77 0.49 -4.92 117.00 121.65 1t60 n LEU 137 Ca -0.01 -0.06 0.01 0.00 -0.03 0.00 0.00 56.01 55.92 1t60 n LEU 137 Cb 0.47 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1t60 n LEU 137 CO 0.51 0.71 1.05 -1.66 -1.33 0.00 0.00 177.39 176.67 1t60 s TRP 138 N -2.27 -0.04 0.25 -1.77 -2.14 -1.21 -4.84 118.94 106.92 1t60 s TRP 138 Ca -0.18 -0.06 0.09 0.00 2.66 0.00 0.00 56.10 58.61 1t60 s TRP 138 Cb 0.05 0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 30.91 1t60 s TRP 138 CO 0.30 -0.29 -0.14 0.96 -2.66 0.00 0.00 176.95 175.13 1t60 s ILE 139 N -2.45 1.96 0.00 0.66 -4.36 -1.26 -0.28 121.20 115.47 1t60 s ILE 139 Ca 0.14 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1t60 s ILE 139 Cb 0.05 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1t60 s ILE 139 CO -0.04 -0.45 0.00 0.61 0.24 0.00 0.00 174.94 175.30 1t60 n GLY 140 N -0.52 1.82 3.35 6.27 0.00 -0.59 -4.33 105.19 111.19 1t60 n GLY 140 Ca -0.06 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1t60 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 141 N -1.26 2.34 -0.78 1.61 1.51 0.61 -1.56 117.35 119.81 1t60 s TYR 141 Ca 0.00 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 1t60 s TYR 141 Cb 0.00 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1t60 s TYR 141 CO 0.00 0.10 1.87 -1.12 -1.11 0.00 0.00 175.55 175.29 1t60 s SER 142 N -1.13 5.28 -0.35 2.29 0.01 -0.82 -1.90 113.70 117.09 1t60 s SER 142 Ca 0.12 -0.27 -0.16 0.00 1.31 0.00 0.00 55.95 56.95 1t60 s SER 142 Cb -0.10 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1t60 s SER 142 CO 0.02 -2.52 0.42 0.12 0.41 0.00 0.00 173.24 171.69 1t60 s PHE 143 N 9.34 3.20 -0.15 2.43 5.36 0.04 -1.12 117.98 137.08 1t60 s PHE 143 Ca 0.67 0.03 0.04 0.00 -0.96 0.00 0.00 56.93 56.71 1t60 s PHE 143 Cb -0.09 -2.76 -0.12 0.00 -0.34 0.00 0.00 43.02 39.70 1t60 s PHE 143 CO 0.08 -0.48 -0.09 1.55 -1.46 0.00 0.00 175.22 174.83 1t60 n VAL 144 N 5.31 0.91 -3.83 3.12 3.14 -0.47 -4.33 118.33 122.18 1t60 n VAL 144 Ca -0.08 -0.41 -0.07 0.00 -2.96 0.00 0.00 64.34 60.82 1t60 n VAL 144 Cb 0.49 -0.95 0.02 0.00 -1.06 0.00 0.00 33.84 32.34 1t60 n VAL 144 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1t60 s MET 145 N -2.32 1.94 0.18 1.45 0.23 -1.13 -0.15 119.30 119.49 1t60 s MET 145 Ca -0.17 -1.23 -0.23 0.00 -1.03 0.00 0.00 55.69 53.04 1t60 s MET 145 Cb 0.05 0.55 0.06 0.00 -1.53 0.00 0.00 34.83 33.97 1t60 s MET 145 CO 0.42 -0.91 0.61 -3.38 -2.03 0.00 0.00 175.02 169.73 1t60 s HIS 146 N -2.44 -0.48 0.12 3.16 -3.43 -0.67 -0.05 115.29 111.48 1t60 s HIS 146 Ca 0.16 0.23 -0.08 0.00 -0.80 0.00 0.00 55.06 54.57 1t60 s HIS 146 Cb -0.04 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.67 1t60 s HIS 146 CO 0.09 -0.90 0.21 0.95 -2.00 0.00 0.00 174.74 173.09 1t60 s THR 147 N -3.78 0.12 0.00 -5.38 -4.23 -0.82 -2.76 115.64 98.79 1t60 s THR 147 Ca 0.03 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1t60 s THR 147 Cb -0.02 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1t60 s THR 147 CO -0.10 -0.52 0.00 -0.24 -0.54 0.00 0.00 174.62 173.22 1t60 n SER 148 N -0.11 0.00 -4.62 3.99 2.88 -0.34 -0.81 113.62 114.61 1t60 n SER 148 Ca -0.12 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 56.93 1t60 n SER 148 Cb 0.63 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.04 1t60 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t60 n ALA 149 N -3.00 0.08 -1.31 -1.46 0.00 -1.26 -0.67 120.51 112.90 1t60 n ALA 149 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 1t60 n ALA 149 Cb 0.00 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 1t60 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 150 N 2.76 1.03 2.47 0.00 0.00 -1.26 -1.85 105.19 108.33 1t60 n GLY 150 Ca 0.17 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1t60 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 n ALA 151 N 1.20 -0.38 -2.30 4.61 0.00 0.16 -4.99 120.51 118.80 1t60 n ALA 151 Ca -0.11 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 1t60 n ALA 151 Cb 0.56 -1.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 1t60 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t60 s GLU 152 N -4.08 3.56 0.00 0.00 0.41 -0.77 -4.72 118.70 113.09 1t60 s GLU 152 Ca 0.00 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.74 1t60 s GLU 152 Cb 0.00 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 1t60 s GLU 152 CO 0.00 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.02 1t60 n GLY 153 N -2.13 -0.55 1.77 -1.39 0.00 -1.26 -1.20 105.19 100.44 1t60 n GLY 153 Ca 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 1t60 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t60 n SER 154 N 0.00 -1.08 -1.42 1.61 3.41 -1.11 -4.66 113.62 110.37 1t60 n SER 154 Ca 0.00 -1.75 -0.03 0.00 -0.26 0.00 0.00 58.87 56.83 1t60 n SER 154 Cb 0.00 1.81 -0.00 0.00 -0.26 0.00 0.00 64.21 65.75 1t60 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t60 n GLY 155 N -0.25 2.49 3.57 5.00 0.00 -1.26 -1.68 105.19 113.06 1t60 n GLY 155 Ca -0.04 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 1t60 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t60 s GLN 156 N -2.12 2.06 0.06 1.61 -1.52 0.78 -4.74 119.66 115.80 1t60 s GLN 156 Ca 0.05 -1.24 -0.29 0.00 -1.95 0.00 0.00 55.36 51.94 1t60 s GLN 156 Cb -0.01 -2.17 -0.05 0.00 -0.22 0.00 0.00 33.01 30.56 1t60 s GLN 156 CO 0.04 0.44 0.91 0.00 -0.25 0.00 0.00 175.29 176.43 1t60 s ALA 157 N -1.64 3.25 -1.15 6.09 0.00 -1.26 -4.87 121.76 122.18 1t60 s ALA 157 Ca 0.24 0.48 0.12 0.00 0.00 0.00 0.00 51.96 52.80 1t60 s ALA 157 Cb -0.09 -3.22 0.52 0.00 0.00 0.00 0.00 23.12 20.33 1t60 s ALA 157 CO 0.15 -0.06 1.34 1.28 0.00 0.00 0.00 175.76 178.46 1t60 n LEU 158 N 3.13 0.00 -0.67 0.00 4.77 -1.26 -1.59 117.00 121.37 1t60 n LEU 158 Ca 0.02 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.49 1t60 n LEU 158 Cb 0.50 -0.43 0.14 0.00 -2.33 0.00 0.00 43.42 41.30 1t60 n LEU 158 CO 0.50 -0.26 0.59 0.00 -1.33 0.00 0.00 177.39 176.89 1t60 n ALA 159 N -1.43 2.30 -2.77 -1.18 0.00 -1.26 -4.61 120.51 111.57 1t60 n ALA 159 Ca 0.04 -0.97 -0.32 0.00 0.00 0.00 0.00 53.44 52.18 1t60 n ALA 159 Cb 0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1t60 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t60 s SER 160 N -1.03 6.45 0.63 0.00 0.15 -0.62 -1.68 113.70 117.59 1t60 s SER 160 Ca 0.23 0.49 0.37 0.00 0.70 0.00 0.00 55.95 57.74 1t60 s SER 160 Cb 0.13 -2.05 2.13 0.00 -1.71 0.00 0.00 66.02 64.52 1t60 s SER 160 CO 0.18 0.14 2.31 -0.65 1.20 0.00 0.00 173.24 176.42 1t60 h PRO 161 N 3.20 0.00 0.00 5.44 0.11 -1.85 -1.53 132.00 137.37 1t60 h PRO 161 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t60 h PRO 161 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t60 h PRO 161 CO 0.72 0.00 -0.01 0.78 -0.21 0.00 0.00 178.00 179.28 1t60 h GLY 162 N 0.00 0.00 -0.43 -0.55 0.00 -1.86 -1.35 103.07 98.88 1t60 h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 162 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 163 N -3.15 1.12 -3.86 0.19 3.41 -0.58 -4.57 113.62 106.19 1t60 n SER 163 Ca -0.01 -1.68 -0.30 0.00 -0.26 0.00 0.00 58.87 56.62 1t60 n SER 163 Cb 0.18 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 1t60 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 165 N 0.26 4.28 0.38 0.00 1.43 -0.80 -4.77 118.68 119.46 1t60 s LEU 165 Ca 0.16 1.21 0.09 0.00 -1.03 0.00 0.00 54.13 54.56 1t60 s LEU 165 Cb -0.24 -3.15 0.75 0.00 0.03 0.00 0.00 46.19 43.58 1t60 s LEU 165 CO -0.03 -0.20 1.89 -0.33 0.23 0.00 0.00 176.35 177.91 1t60 h GLU 166 N 6.92 0.22 -4.93 1.70 5.08 -1.88 0.17 114.58 121.87 1t60 h GLU 166 Ca -0.38 -0.06 -0.63 0.00 -1.00 0.00 0.00 59.36 57.29 1t60 h GLU 166 Cb 1.18 -0.03 -0.35 0.00 0.50 0.00 0.00 28.75 30.06 1t60 h GLU 166 CO 0.77 0.40 -0.85 -1.21 -1.00 0.00 0.00 179.01 177.12 1t60 s GLU 167 N -4.64 2.63 0.24 2.33 2.02 -1.26 -4.70 118.70 115.32 1t60 s GLU 167 Ca -0.05 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.94 1t60 s GLU 167 Cb 0.15 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 32.07 1t60 s GLU 167 CO 0.74 -0.10 1.17 0.12 0.02 0.00 0.00 175.26 177.20 1t60 s PHE 168 N 1.07 3.45 -0.07 1.61 2.19 -1.26 -4.97 117.98 119.99 1t60 s PHE 168 Ca -0.03 1.53 -0.04 0.00 0.33 0.00 0.00 56.93 58.72 1t60 s PHE 168 Cb -0.14 -3.40 0.03 0.00 -1.31 0.00 0.00 43.02 38.20 1t60 s PHE 168 CO -0.05 -1.01 0.18 1.03 1.83 0.00 0.00 175.22 177.20 1t60 s ARG 169 N -0.88 0.15 0.40 10.12 1.81 -1.26 -5.01 118.95 124.29 1t60 s ARG 169 Ca 0.49 0.37 0.18 0.00 -1.72 0.00 0.00 55.73 55.05 1t60 s ARG 169 Cb -0.33 -0.08 0.86 0.00 -0.45 0.00 0.00 34.95 34.95 1t60 s ARG 169 CO 0.40 -0.12 1.84 0.66 -0.68 0.00 0.00 175.30 177.40 1t60 h SER 170 N 6.81 0.00 -2.78 0.23 4.64 -2.00 -3.29 113.55 117.16 1t60 h SER 170 Ca -0.37 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.34 1t60 h SER 170 Cb 1.16 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.84 1t60 h SER 170 CO 0.40 0.32 -0.70 0.00 -0.87 0.00 0.00 176.83 175.99 1t60 n ALA 171 N -2.36 3.30 1.12 5.18 0.00 -1.26 -4.45 120.51 122.04 1t60 n ALA 171 Ca -0.01 -4.14 0.13 0.00 0.00 0.00 0.00 53.44 49.41 1t60 n ALA 171 Cb 0.41 -0.94 0.62 0.00 0.00 0.00 0.00 19.45 19.55 1t60 n ALA 171 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t60 n PRO 172 N 2.06 0.25 -4.11 0.00 -0.04 -1.24 -4.84 135.00 127.08 1t60 n PRO 172 Ca 0.24 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1t60 n PRO 172 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1t60 n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 173 N -2.71 0.60 0.15 0.54 -0.71 -1.26 -0.84 117.98 113.74 1t60 s PHE 173 Ca 0.21 -1.04 0.10 0.00 -1.04 0.00 0.00 56.93 55.15 1t60 s PHE 173 Cb 0.17 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 1t60 s PHE 173 CO 0.42 -0.34 -0.22 -1.50 -1.34 0.00 0.00 175.22 172.24 1t60 s ILE 174 N -3.86 2.02 -0.18 -4.49 2.07 0.27 -4.79 121.20 112.24 1t60 s ILE 174 Ca 0.08 -1.80 -0.07 0.00 -1.41 0.00 0.00 60.65 57.45 1t60 s ILE 174 Cb 0.07 -1.87 -0.04 0.00 0.13 0.00 0.00 42.46 40.76 1t60 s ILE 174 CO -0.09 -0.10 0.06 -0.70 -1.91 0.00 0.00 174.94 172.19 1t60 s GLU 175 N -2.35 3.95 0.25 3.50 2.12 -0.98 -2.12 118.70 123.07 1t60 s GLU 175 Ca 0.14 -0.35 0.10 0.00 0.36 0.00 0.00 54.97 55.21 1t60 s GLU 175 Cb -0.08 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 1t60 s GLU 175 CO 0.07 0.28 -0.17 0.00 -0.54 0.00 0.00 175.26 174.89 1t60 s HIS 177 N -2.74 1.83 0.54 0.00 0.09 0.18 -1.42 115.29 113.77 1t60 s HIS 177 Ca 0.26 -0.57 0.22 0.00 -0.00 0.00 0.00 55.06 54.97 1t60 s HIS 177 Cb -0.03 -0.88 1.44 0.00 -0.00 0.00 0.00 32.58 33.11 1t60 s HIS 177 CO 0.11 0.38 2.14 0.78 -0.00 0.00 0.00 174.74 178.16 1t60 h GLY 178 N 2.47 0.00 1.74 -2.22 0.00 -1.48 -0.79 103.07 102.78 1t60 h GLY 178 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1t60 h GLY 178 CO 0.63 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.21 1t60 n ARG 179 N -4.29 0.15 0.00 4.80 1.85 -1.26 -4.81 116.66 113.09 1t60 n ARG 179 Ca -0.01 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1t60 n ARG 179 Cb 0.19 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 1t60 n ARG 179 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1t60 n GLY 180 N 0.17 0.64 3.94 2.89 0.00 -0.30 -5.10 105.19 107.42 1t60 n GLY 180 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1t60 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 181 N -2.00 5.28 0.01 2.61 -4.23 -1.25 -4.26 115.64 111.80 1t60 s THR 181 Ca 0.00 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1t60 s THR 181 Cb 0.00 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1t60 s THR 181 CO 0.00 -0.11 0.04 0.00 -0.54 0.00 0.00 174.62 174.02 1t60 s ASN 183 N -1.25 -0.11 0.05 0.00 2.47 0.10 0.02 114.94 116.21 1t60 s ASN 183 Ca -0.14 -0.20 -0.07 0.00 0.42 0.00 0.00 52.86 52.87 1t60 s ASN 183 Cb -0.08 0.27 -0.05 0.00 -1.45 0.00 0.00 41.25 39.94 1t60 s ASN 183 CO 0.00 -0.50 0.33 -0.31 -3.72 0.00 0.00 177.10 172.90 1t60 s TYR 184 N -2.73 3.57 0.07 0.43 1.51 -1.26 -2.33 117.35 116.62 1t60 s TYR 184 Ca 0.13 0.65 0.07 0.00 -1.01 0.00 0.00 57.07 56.90 1t60 s TYR 184 Cb 0.02 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1t60 s TYR 184 CO -0.02 0.55 -0.18 0.71 -1.11 0.00 0.00 175.55 175.50 1t60 s TYR 185 N -1.38 1.56 0.56 2.71 1.51 -1.26 -5.04 117.35 116.01 1t60 s TYR 185 Ca 0.31 -0.41 0.26 0.00 -1.01 0.00 0.00 57.07 56.23 1t60 s TYR 185 Cb -0.13 -0.88 1.53 0.00 -0.11 0.00 0.00 41.96 42.36 1t60 s TYR 185 CO 0.18 0.12 2.07 0.00 -1.11 0.00 0.00 175.55 176.82 1t60 h ALA 186 N 4.41 2.03 -0.58 3.71 0.00 -2.03 -1.91 119.26 124.90 1t60 h ALA 186 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1t60 h ALA 186 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t60 h ALA 186 CO 0.41 -0.36 0.00 0.27 0.00 0.00 0.00 179.25 179.57 1t60 n ASN 187 N -4.05 3.21 -4.58 0.00 6.94 -1.26 -4.83 115.26 110.68 1t60 n ASN 187 Ca 0.03 -2.04 -0.42 0.00 -0.02 0.00 0.00 54.58 52.13 1t60 n ASN 187 Cb 0.38 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.37 1t60 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t60 s ALA 188 N -1.28 2.94 -0.07 -2.53 0.00 -0.72 -4.16 121.76 115.93 1t60 s ALA 188 Ca 0.39 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1t60 s ALA 188 Cb 0.21 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1t60 s ALA 188 CO 0.26 -2.71 0.05 0.71 0.00 0.00 0.00 175.76 174.07 1t60 s TYR 189 N 5.39 3.29 -0.11 0.00 4.12 0.01 -4.96 117.35 125.08 1t60 s TYR 189 Ca 0.49 0.27 0.02 0.00 0.02 0.00 0.00 57.07 57.87 1t60 s TYR 189 Cb -0.09 -1.81 -0.00 0.00 -1.52 0.00 0.00 41.96 38.53 1t60 s TYR 189 CO 0.26 0.55 -0.20 -1.54 0.02 0.00 0.00 175.55 174.64 1t60 s SER 190 N -1.11 3.43 -0.14 2.29 1.04 -1.26 -1.94 113.70 116.01 1t60 s SER 190 Ca 0.16 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 1t60 s SER 190 Cb -0.12 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.49 1t60 s SER 190 CO 0.05 0.16 -0.02 -0.36 0.98 0.00 0.00 173.24 174.04 1t60 s PHE 191 N 0.38 3.06 0.14 5.02 0.40 0.92 -4.99 117.98 122.92 1t60 s PHE 191 Ca -0.15 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1t60 s PHE 191 Cb -0.17 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1t60 s PHE 191 CO 0.07 0.10 -0.16 -1.58 0.70 0.00 0.00 175.22 174.35 1t60 s TRP 192 N 0.06 1.60 0.27 0.36 0.52 -1.26 -1.37 118.94 119.11 1t60 s TRP 192 Ca 0.01 -0.52 -0.29 0.00 0.02 0.00 0.00 56.10 55.31 1t60 s TRP 192 Cb -0.13 -0.81 -0.09 0.00 -1.15 0.00 0.00 33.47 31.28 1t60 s TRP 192 CO 0.02 0.23 1.24 -0.51 0.02 0.00 0.00 176.95 177.96 1t60 s LEU 193 N -2.60 4.46 0.48 2.99 1.43 -0.27 -4.89 118.68 120.28 1t60 s LEU 193 Ca 0.13 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1t60 s LEU 193 Cb -0.05 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1t60 s LEU 193 CO 0.05 -0.41 0.71 0.00 0.23 0.00 0.00 176.35 176.92 1t60 s ALA 194 N -0.70 3.77 -0.06 4.21 0.00 -1.26 -1.02 121.76 126.70 1t60 s ALA 194 Ca 0.50 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1t60 s ALA 194 Cb -0.36 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1t60 s ALA 194 CO 0.44 -0.49 0.96 0.95 0.00 0.00 0.00 175.76 177.62 1t60 s THR 195 N -2.63 4.85 -0.12 0.00 -4.23 -0.38 -4.39 115.64 108.73 1t60 s THR 195 Ca 0.51 1.98 0.02 0.00 -1.18 0.00 0.00 61.69 63.02 1t60 s THR 195 Cb -0.10 -4.29 0.01 0.00 1.34 0.00 0.00 72.50 69.47 1t60 s THR 195 CO 0.38 0.10 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.75 1t60 s ILE 196 N 1.47 1.73 0.13 2.99 -1.09 0.13 -4.94 121.20 121.62 1t60 s ILE 196 Ca 0.49 -0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 57.84 1t60 s ILE 196 Cb -0.19 -1.56 -0.07 0.00 -1.58 0.00 0.00 42.46 39.06 1t60 s ILE 196 CO 0.22 0.49 0.89 -1.61 -1.23 0.00 0.00 174.94 173.70 1t60 s GLU 197 N 0.93 4.67 0.34 2.79 0.41 -1.26 -4.79 118.70 121.79 1t60 s GLU 197 Ca -0.07 1.34 0.06 0.00 -0.41 0.00 0.00 54.97 55.90 1t60 s GLU 197 Cb -0.15 -3.34 0.74 0.00 -1.78 0.00 0.00 34.13 29.60 1t60 s GLU 197 CO -0.02 0.34 1.89 0.00 -0.49 0.00 0.00 175.26 176.98 1t60 h ARG 198 N 5.12 0.76 0.00 1.61 3.08 -1.99 0.12 114.38 123.07 1t60 h ARG 198 Ca -0.44 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1t60 h ARG 198 Cb 1.21 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1t60 h ARG 198 CO 0.70 0.50 0.00 0.66 -1.07 0.00 0.00 179.97 180.76 1t60 h SER 199 N 0.78 0.00 -0.08 7.04 4.64 -2.04 -2.82 113.55 121.07 1t60 h SER 199 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1t60 h SER 199 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1t60 h SER 199 CO -0.18 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.16 1t60 n GLU 200 N -2.38 1.55 -0.19 4.77 -0.58 0.36 -4.61 120.64 119.55 1t60 n GLU 200 Ca 0.02 -1.62 0.00 0.00 -0.42 0.00 0.00 57.16 55.14 1t60 n GLU 200 Cb 0.23 -1.34 0.09 0.00 -0.57 0.00 0.00 31.44 29.86 1t60 n GLU 200 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1t60 h MET 201 N 3.32 0.11 -1.29 3.49 2.86 -1.19 -2.14 114.93 120.10 1t60 h MET 201 Ca 0.00 -0.01 -0.65 0.00 -2.06 0.00 0.00 59.70 56.98 1t60 h MET 201 Cb 0.73 -0.03 -0.35 0.00 0.06 0.00 0.00 31.60 32.02 1t60 h MET 201 CO 0.00 0.07 0.18 1.19 1.06 0.00 0.00 176.91 179.42 1t60 n PHE 202 N -5.27 3.09 -4.26 -0.22 3.01 -1.26 -4.96 117.46 107.60 1t60 n PHE 202 Ca 0.08 -2.68 -0.18 0.00 1.01 0.00 0.00 57.45 55.69 1t60 n PHE 202 Cb 0.33 -0.84 -0.11 0.00 -0.01 0.00 0.00 39.48 38.86 1t60 n PHE 202 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1t60 s LYS 203 N -3.78 1.07 0.21 -1.08 -0.14 -0.81 -5.11 119.74 110.11 1t60 s LYS 203 Ca 0.55 -1.32 -0.31 0.00 -1.36 0.00 0.00 55.97 53.53 1t60 s LYS 203 Cb 0.45 -0.90 -0.11 0.00 -1.68 0.00 0.00 37.83 35.59 1t60 s LYS 203 CO -0.14 0.16 1.61 0.21 -0.76 0.00 0.00 175.35 176.44 1t60 s LYS 204 N -2.95 4.17 0.54 1.68 2.20 -1.26 -4.93 119.74 119.20 1t60 s LYS 204 Ca 0.12 2.48 -0.22 0.00 -0.36 0.00 0.00 55.97 57.99 1t60 s LYS 204 Cb -0.03 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 1t60 s LYS 204 CO 0.03 -0.64 1.37 -2.14 -0.36 0.00 0.00 175.35 173.60 1t60 s PRO 205 N 0.75 3.15 -0.37 4.03 0.02 -1.26 -4.97 135.00 136.35 1t60 s PRO 205 Ca 0.70 2.26 -0.18 0.00 0.02 0.00 0.00 61.00 63.79 1t60 s PRO 205 Cb -0.46 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 31.79 1t60 s PRO 205 CO 0.35 -1.19 0.50 0.99 -0.33 0.00 0.00 177.00 177.32 1t60 s THR 206 N -1.29 5.03 0.60 0.99 2.01 -1.26 -5.04 115.64 116.67 1t60 s THR 206 Ca 0.71 0.18 -0.19 0.00 0.31 0.00 0.00 61.69 62.70 1t60 s THR 206 Cb -0.41 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1t60 s THR 206 CO 0.49 -0.27 1.14 -2.65 -0.69 0.00 0.00 174.62 172.64 1t60 n PRO 207 N 5.73 1.13 -3.67 4.92 -0.02 -1.26 -5.03 135.00 136.80 1t60 n PRO 207 Ca -0.05 0.43 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 1t60 n PRO 207 Cb 0.49 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 1t60 n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1t60 s SER 208 N -1.21 -0.67 -0.26 2.55 0.15 -1.26 -5.13 113.70 107.87 1t60 s SER 208 Ca 0.77 1.16 -0.02 0.00 0.70 0.00 0.00 55.95 58.56 1t60 s SER 208 Cb -0.41 1.09 0.03 0.00 -1.71 0.00 0.00 66.02 65.02 1t60 s SER 208 CO 0.46 -0.21 -0.04 -0.89 1.20 0.00 0.00 173.24 173.75 1t60 s THR 209 N 1.09 2.95 -0.01 6.45 2.01 -1.26 -5.11 115.64 121.76 1t60 s THR 209 Ca -0.06 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.86 1t60 s THR 209 Cb -0.06 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1t60 s THR 209 CO -0.10 0.15 0.13 -0.76 -0.69 0.00 0.00 174.62 173.34 1t60 s LEU 210 N 1.32 4.13 0.45 4.42 2.01 -1.26 -5.12 118.68 124.63 1t60 s LEU 210 Ca -0.01 0.25 0.06 0.00 0.01 0.00 0.00 54.13 54.44 1t60 s LEU 210 Cb -0.17 -2.41 -0.05 0.00 0.01 0.00 0.00 46.19 43.58 1t60 s LEU 210 CO -0.04 0.28 0.09 -0.54 1.01 0.00 0.00 176.35 177.15 1t60 s LYS 211 N -1.78 2.12 0.15 1.70 1.02 -1.26 -4.91 119.74 116.78 1t60 s LYS 211 Ca 0.24 -2.10 -0.34 0.00 0.02 0.00 0.00 55.97 53.79 1t60 s LYS 211 Cb -0.12 -1.75 -0.15 0.00 -0.52 0.00 0.00 37.83 35.29 1t60 s LYS 211 CO 0.15 -0.19 1.39 0.00 -0.92 0.00 0.00 175.35 175.78 1t60 n ALA 212 N -1.18 0.10 0.00 5.17 0.00 -1.26 -1.74 120.51 121.60 1t60 n ALA 212 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1t60 n ALA 212 Cb 0.66 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1t60 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 213 N 2.61 2.64 0.36 0.00 0.00 -1.26 -4.78 105.19 104.75 1t60 n GLY 213 Ca 0.16 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1t60 n GLY 213 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1t60 n GLU 214 N 0.00 2.78 0.36 1.61 0.28 -0.71 -4.79 120.64 120.18 1t60 n GLU 214 Ca 0.00 -1.96 -0.18 0.00 -0.16 0.00 0.00 57.16 54.86 1t60 n GLU 214 Cb 0.00 -1.24 -0.09 0.00 1.43 0.00 0.00 31.44 31.54 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1t60 h LEU 215 N 1.00 -0.78 -0.40 -1.84 3.38 -1.82 -3.03 115.31 111.82 1t60 h LEU 215 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1t60 h LEU 215 Cb 0.73 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1t60 h LEU 215 CO 0.02 -0.55 0.00 0.54 0.09 0.00 0.00 178.44 178.55 1t60 n ARG 216 N -5.48 0.05 0.08 1.13 1.74 -1.26 -3.07 116.66 109.85 1t60 n ARG 216 Ca -0.13 0.47 0.18 0.00 -0.77 0.00 0.00 57.85 57.59 1t60 n ARG 216 Cb 0.37 -1.64 0.70 0.00 -1.02 0.00 0.00 32.46 30.87 1t60 n ARG 216 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1t60 h THR 217 N 0.00 0.73 -0.22 0.55 1.35 -1.88 -1.81 112.91 111.63 1t60 h THR 217 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1t60 h THR 217 Cb 0.10 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1t60 h THR 217 CO 0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 1t60 n HIS 218 N -4.30 0.35 -3.43 4.73 8.25 -1.18 -4.86 115.22 114.78 1t60 n HIS 218 Ca 0.06 -0.56 -0.39 0.00 -0.26 0.00 0.00 57.72 56.58 1t60 n HIS 218 Cb 0.47 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.42 1t60 n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t60 s VAL 219 N -1.25 5.20 0.70 1.59 1.01 -0.68 -1.25 120.40 125.71 1t60 s VAL 219 Ca 0.18 0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 1t60 s VAL 219 Cb 0.11 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1t60 s VAL 219 CO 0.10 0.18 1.05 -0.24 0.00 0.00 0.00 175.10 176.19 1t60 n SER 220 N 5.27 0.89 -4.79 3.32 2.88 -0.19 -4.64 113.62 116.36 1t60 n SER 220 Ca -0.10 0.71 -0.22 0.00 -1.33 0.00 0.00 58.87 57.93 1t60 n SER 220 Cb 0.51 -1.44 -0.05 0.00 -0.75 0.00 0.00 64.21 62.48 1t60 n SER 220 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t60 s ARG 221 N -3.34 2.63 0.26 -1.46 1.81 -0.98 -1.94 118.95 115.93 1t60 s ARG 221 Ca 0.76 -1.31 -0.04 0.00 -1.72 0.00 0.00 55.73 53.41 1t60 s ARG 221 Cb -0.36 -2.38 -0.02 0.00 -0.45 0.00 0.00 34.95 31.74 1t60 s ARG 221 CO 0.48 0.21 0.33 0.00 -0.68 0.00 0.00 175.30 175.64 1t60 s GLN 223 N -3.83 0.40 -0.17 0.00 0.74 -0.85 -1.54 119.66 114.42 1t60 s GLN 223 Ca 0.32 0.54 -0.14 0.00 0.05 0.00 0.00 55.36 56.13 1t60 s GLN 223 Cb 0.03 0.16 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 1t60 s GLN 223 CO 0.14 -0.07 0.30 0.08 -0.55 0.00 0.00 175.29 175.19 1t60 s VAL 224 N 0.40 5.30 0.26 1.34 1.01 0.61 -1.58 120.40 127.74 1t60 s VAL 224 Ca -0.02 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1t60 s VAL 224 Cb -0.04 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1t60 s VAL 224 CO -0.02 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.35 1t60 s MET 226 N -3.65 0.46 0.24 0.00 -2.45 -0.16 -1.10 119.30 112.64 1t60 s MET 226 Ca 0.27 0.53 -0.30 0.00 -1.25 0.00 0.00 55.69 54.95 1t60 s MET 226 Cb 0.01 0.22 -0.09 0.00 1.25 0.00 0.00 34.83 36.22 1t60 s MET 226 CO 0.11 -0.06 1.13 1.03 1.05 0.00 0.00 175.02 178.28 1t60 s ARG 227 N 0.16 4.59 0.00 4.11 0.52 -1.26 -0.11 118.95 126.97 1t60 s ARG 227 Ca 0.03 1.81 0.02 0.00 -0.52 0.00 0.00 55.73 57.08 1t60 s ARG 227 Cb -0.05 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.23 1t60 s ARG 227 CO -0.07 0.11 0.57 0.54 0.02 0.00 0.00 175.30 176.47