#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 1.53 3.77 -1.41 0.00 -1.26 -5.09 105.19 102.73 1t60 n GLY 5 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.32 0.11 1.61 0.40 -1.19 -4.90 117.98 115.32 1t60 s PHE 6 Ca 0.00 1.65 0.10 0.00 -0.60 0.00 0.00 56.93 58.07 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 -0.72 -0.25 -0.51 0.70 0.00 0.00 175.22 174.45 1t60 s LEU 7 N -2.31 2.30 -0.05 -0.37 1.43 -1.26 0.29 118.68 118.70 1t60 s LEU 7 Ca 0.54 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1t60 s LEU 7 Cb -0.26 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1t60 s LEU 7 CO 0.33 0.14 0.12 0.54 0.23 0.00 0.00 176.35 177.70 1t60 s VAL 8 N -1.08 -0.04 -0.06 -1.59 0.11 0.24 -4.90 120.40 113.08 1t60 s VAL 8 Ca 0.11 0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.31 1t60 s VAL 8 Cb -0.10 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1t60 s VAL 8 CO 0.05 0.06 0.00 -0.89 -3.33 0.00 0.00 175.10 171.00 1t60 s THR 9 N 0.96 4.27 -0.01 5.04 2.01 -1.14 -0.28 115.64 126.48 1t60 s THR 9 Ca -0.07 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1t60 s THR 9 Cb -0.10 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1t60 s THR 9 CO -0.04 0.53 -0.18 -0.60 -0.69 0.00 0.00 174.62 173.64 1t60 s ARG 10 N -1.10 1.46 -0.12 4.92 3.52 -0.15 -4.72 118.95 122.76 1t60 s ARG 10 Ca 0.15 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.11 1t60 s ARG 10 Cb -0.11 -1.42 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 1t60 s ARG 10 CO 0.05 0.39 -0.21 -1.01 -0.81 0.00 0.00 175.30 173.71 1t60 s HIS 11 N -0.45 2.65 -0.00 5.12 3.76 -1.26 -0.57 115.29 124.54 1t60 s HIS 11 Ca 0.07 -1.10 0.16 0.00 -0.15 0.00 0.00 55.06 54.05 1t60 s HIS 11 Cb -0.07 -1.78 0.31 0.00 1.11 0.00 0.00 32.58 32.15 1t60 s HIS 11 CO -0.01 -0.47 1.56 0.66 -0.85 0.00 0.00 174.74 175.64 1t60 h SER 12 N 6.99 0.00 -1.32 1.40 4.64 -1.42 -3.46 113.55 120.38 1t60 h SER 12 Ca -0.26 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.72 1t60 h SER 12 Cb 1.21 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.21 1t60 h SER 12 CO 0.52 0.48 -0.35 0.00 -0.87 0.00 0.00 176.83 176.61 1t60 n GLN 13 N -3.35 -1.22 -3.93 4.77 6.02 -1.26 -4.95 117.38 113.46 1t60 n GLN 13 Ca 0.01 1.00 -0.15 0.00 -0.01 0.00 0.00 57.00 57.84 1t60 n GLN 13 Cb 0.65 -5.28 -0.05 0.00 1.02 0.00 0.00 30.24 26.59 1t60 n GLN 13 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1t60 n THR 14 N -3.01 0.00 1.61 5.09 -2.24 -1.26 -4.05 114.28 110.42 1t60 n THR 14 Ca -0.18 -1.90 0.15 0.00 -2.27 0.00 0.00 64.05 59.84 1t60 n THR 14 Cb 0.58 1.07 0.69 0.00 -2.10 0.00 0.00 70.33 70.57 1t60 n THR 14 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t60 n THR 15 N -0.56 0.00 -3.55 4.28 -2.24 -1.26 -1.97 114.28 108.98 1t60 n THR 15 Ca 0.03 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 1t60 n THR 15 Cb 0.56 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.19 6.66 0.26 3.42 1.01 -1.26 -4.84 116.67 119.73 1t60 s ASP 16 Ca 0.37 0.82 -0.30 0.00 0.71 0.00 0.00 52.55 54.16 1t60 s ASP 16 Cb 0.21 -2.19 -0.11 0.00 1.01 0.00 0.00 42.92 41.84 1t60 s ASP 16 CO 0.40 0.16 1.52 -1.81 0.21 0.00 0.00 175.17 175.66 1t60 s ASP 17 N -1.77 6.52 0.59 0.27 -0.00 -1.26 -4.54 116.67 116.47 1t60 s ASP 17 Ca 0.34 2.80 -0.11 0.00 -0.00 0.00 0.00 52.55 55.58 1t60 s ASP 17 Cb -0.14 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.11 1t60 s ASP 17 CO 0.18 -0.81 0.99 -2.16 -0.00 0.00 0.00 175.17 173.37 1t60 s PRO 18 N -0.31 3.64 0.02 8.23 0.04 -1.26 -4.98 135.00 140.37 1t60 s PRO 18 Ca 0.62 0.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 1t60 s PRO 18 Cb -0.45 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1t60 s PRO 18 CO 0.44 -0.48 0.16 -1.14 0.04 0.00 0.00 177.00 176.03 1t60 s GLN 19 N -4.96 3.32 0.38 4.56 0.74 -1.26 -4.69 119.66 117.75 1t60 s GLN 19 Ca 0.54 -0.42 -0.27 0.00 0.05 0.00 0.00 55.36 55.26 1t60 s GLN 19 Cb -0.11 -3.00 -0.10 0.00 1.10 0.00 0.00 33.01 30.90 1t60 s GLN 19 CO 0.50 0.64 1.34 0.00 -0.55 0.00 0.00 175.29 177.22 1t60 s PRO 21 N -2.07 2.22 0.29 0.00 0.02 -1.26 -4.87 135.00 129.33 1t60 s PRO 21 Ca 0.54 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 1t60 s PRO 21 Cb -0.40 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.17 1t60 s PRO 21 CO 0.53 -1.82 1.49 -2.30 -0.33 0.00 0.00 177.00 174.57 1t60 n PRO 22 N -2.41 2.42 0.00 5.54 -0.02 -1.26 -1.76 135.00 137.51 1t60 n PRO 22 Ca 0.15 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1t60 n PRO 22 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 1.83 0.58 3.53 -1.23 0.00 -1.26 -4.94 105.19 103.70 1t60 n GLY 23 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.14 2.05 0.01 2.61 -4.23 -0.72 -4.48 115.64 108.74 1t60 s THR 24 Ca 0.00 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1t60 s THR 24 Cb 0.00 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 1t60 s THR 24 CO 0.00 -0.19 -0.15 -1.59 -0.54 0.00 0.00 174.62 172.15 1t60 s LYS 25 N -3.66 1.12 0.43 3.99 -2.85 -0.57 -4.74 119.74 113.46 1t60 s LYS 25 Ca 0.32 -0.64 -0.25 0.00 -1.00 0.00 0.00 55.97 54.40 1t60 s LYS 25 Cb 0.04 -1.11 -0.08 0.00 -2.06 0.00 0.00 37.83 34.62 1t60 s LYS 25 CO 0.16 0.29 1.29 -1.50 0.10 0.00 0.00 175.35 175.69 1t60 s ILE 26 N -0.56 2.60 -0.08 3.79 1.10 -1.26 -0.25 121.20 126.54 1t60 s ILE 26 Ca 0.04 0.51 -0.02 0.00 -0.51 0.00 0.00 60.65 60.68 1t60 s ILE 26 Cb -0.07 -3.29 -0.04 0.00 0.15 0.00 0.00 42.46 39.21 1t60 s ILE 26 CO 0.00 0.05 -0.09 0.18 -2.11 0.00 0.00 174.94 172.98 1t60 n LEU 27 N -0.13 1.79 -3.58 8.50 4.77 -0.06 -4.82 117.00 123.47 1t60 n LEU 27 Ca 0.05 0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 1t60 n LEU 27 Cb 0.44 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1t60 n LEU 27 CO 0.54 0.40 0.95 -0.72 -1.33 0.00 0.00 177.39 177.24 1t60 s TYR 28 N -2.15 -0.17 0.33 -1.77 -0.85 -1.19 -5.03 117.35 106.52 1t60 s TYR 28 Ca -0.11 0.12 0.08 0.00 -0.52 0.00 0.00 57.07 56.64 1t60 s TYR 28 Cb 0.04 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 1t60 s TYR 28 CO 0.16 -0.26 0.13 -1.01 -1.52 0.00 0.00 175.55 173.05 1t60 s HIS 29 N -2.44 2.71 0.00 -3.49 3.76 -1.26 -0.97 115.29 113.60 1t60 s HIS 29 Ca 0.08 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1t60 s HIS 29 Cb -0.01 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 32.08 1t60 s HIS 29 CO -0.05 0.36 0.00 0.41 -0.85 0.00 0.00 174.74 174.61 1t60 n GLY 30 N -1.13 1.93 3.53 -2.22 0.00 -0.60 -4.56 105.19 102.15 1t60 n GLY 30 Ca -0.03 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 2.82 -0.63 1.61 2.02 0.65 -1.15 117.35 120.66 1t60 s TYR 31 Ca 0.00 -0.07 -0.27 0.00 -0.37 0.00 0.00 57.07 56.37 1t60 s TYR 31 Cb 0.00 -1.66 -0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1t60 s TYR 31 CO 0.00 0.27 1.66 -1.12 -1.57 0.00 0.00 175.55 174.79 1t60 s SER 32 N -0.84 5.62 -0.24 2.29 0.01 -0.65 -1.90 113.70 117.99 1t60 s SER 32 Ca 0.12 0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.37 1t60 s SER 32 Cb -0.11 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1t60 s SER 32 CO 0.02 -2.14 0.52 -0.22 0.41 0.00 0.00 173.24 171.82 1t60 s LEU 33 N 7.81 4.08 -0.15 2.44 2.96 0.93 -1.50 118.68 135.25 1t60 s LEU 33 Ca 0.58 0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 54.95 1t60 s LEU 33 Cb -0.12 -2.68 -0.06 0.00 0.50 0.00 0.00 46.19 43.83 1t60 s LEU 33 CO 0.20 -0.25 -0.05 0.25 -1.32 0.00 0.00 176.35 175.18 1t60 h LEU 34 N 8.50 0.00 -7.84 -0.68 5.85 -1.05 -3.41 115.31 116.69 1t60 h LEU 34 Ca -0.30 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.41 1t60 h LEU 34 Cb 1.14 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 1t60 h LEU 34 CO 0.72 0.87 0.38 -0.72 -0.34 0.00 0.00 178.44 179.35 1t60 s TYR 35 N -2.17 -0.12 0.20 1.25 1.13 -1.06 -1.95 117.35 114.63 1t60 s TYR 35 Ca -0.16 -0.29 0.05 0.00 -1.41 0.00 0.00 57.07 55.27 1t60 s TYR 35 Cb 0.02 0.69 -0.05 0.00 -1.10 0.00 0.00 41.96 41.52 1t60 s TYR 35 CO 0.27 -1.05 -0.07 0.14 -2.51 0.00 0.00 175.55 172.33 1t60 s VAL 36 N -3.36 1.30 -0.11 -3.49 -7.23 -0.48 0.08 120.40 107.11 1t60 s VAL 36 Ca 0.13 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1t60 s VAL 36 Cb -0.04 -2.12 0.04 0.00 0.56 0.00 0.00 36.38 34.82 1t60 s VAL 36 CO 0.05 -0.52 0.06 -1.58 -0.31 0.00 0.00 175.10 172.80 1t60 s GLN 37 N -3.76 0.15 -0.07 4.82 0.74 -0.57 -0.86 119.66 120.11 1t60 s GLN 37 Ca 0.23 0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.77 1t60 s GLN 37 Cb 0.03 -1.22 0.00 0.00 1.10 0.00 0.00 33.01 32.92 1t60 s GLN 37 CO 0.06 -0.48 -0.19 0.20 -0.55 0.00 0.00 175.29 174.33 1t60 s GLY 38 N 2.10 1.06 -1.49 2.59 0.00 -0.52 -1.76 107.32 109.30 1t60 s GLY 38 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 44.72 43.87 1t60 s GLY 38 CO -0.06 -0.29 0.82 -2.01 0.00 0.00 0.00 173.10 171.56 1t60 n ASN 39 N 3.36 -4.67 0.00 1.64 4.05 -1.26 -1.64 115.26 116.74 1t60 n ASN 39 Ca -0.19 -0.64 0.00 0.00 0.45 0.00 0.00 54.58 54.20 1t60 n ASN 39 Cb 0.53 -3.76 0.00 0.00 1.23 0.00 0.00 39.78 37.78 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 -4.38 0.00 -4.33 1.20 -0.58 -1.26 -5.01 120.64 106.28 1t60 n GLU 40 Ca 0.02 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.41 1t60 n GLU 40 Cb 0.54 -2.97 -0.11 0.00 -0.57 0.00 0.00 31.44 28.33 1t60 n GLU 40 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1t60 s ARG 41 N -0.24 3.53 0.30 3.49 1.81 -0.65 -5.00 118.95 122.20 1t60 s ARG 41 Ca 0.00 -0.46 -0.14 0.00 -1.72 0.00 0.00 55.73 53.41 1t60 s ARG 41 Cb 0.00 -2.93 -0.09 0.00 -0.45 0.00 0.00 34.95 31.49 1t60 s ARG 41 CO 0.00 0.37 0.70 0.00 -0.68 0.00 0.00 175.30 175.69 1t60 s ALA 42 N 0.03 3.37 -0.12 2.13 0.00 -1.26 -1.44 121.76 124.46 1t60 s ALA 42 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 1t60 s ALA 42 Cb -0.13 -2.71 0.06 0.00 0.00 0.00 0.00 23.12 20.34 1t60 s ALA 42 CO 0.02 0.36 0.25 -1.58 0.00 0.00 0.00 175.76 174.82 1t60 s HIS 43 N -1.94 -0.40 0.49 0.00 2.46 -0.04 -4.94 115.29 110.92 1t60 s HIS 43 Ca 0.53 0.94 0.08 0.00 0.47 0.00 0.00 55.06 57.07 1t60 s HIS 43 Cb -0.11 -0.06 0.03 0.00 -0.13 0.00 0.00 32.58 32.32 1t60 s HIS 43 CO 0.18 -0.34 0.57 0.20 -2.47 0.00 0.00 174.74 172.87 1t60 s GLY 44 N 2.39 2.00 -0.14 1.59 0.00 -1.26 -1.38 107.32 110.52 1t60 s GLY 44 Ca 0.01 -1.81 -0.00 0.00 0.00 0.00 0.00 44.72 42.92 1t60 s GLY 44 CO -0.08 -1.68 -0.07 1.20 0.00 0.00 0.00 173.10 172.46 1t60 s GLN 45 N -4.39 1.58 0.03 2.90 -1.52 -0.82 -4.97 119.66 112.47 1t60 s GLN 45 Ca 0.52 -0.38 -0.33 0.00 -1.95 0.00 0.00 55.36 53.21 1t60 s GLN 45 Cb -0.06 -1.80 -0.12 0.00 -0.22 0.00 0.00 33.01 30.82 1t60 s GLN 45 CO 0.32 -0.32 1.80 -3.47 -0.25 0.00 0.00 175.29 173.36 1t60 n ASP 46 N 4.90 3.53 0.08 5.90 2.03 -1.26 -4.66 116.55 127.08 1t60 n ASP 46 Ca -0.13 1.00 0.05 0.00 0.52 0.00 0.00 54.79 56.24 1t60 n ASP 46 Cb 0.49 -1.43 0.29 0.00 -0.72 0.00 0.00 41.12 39.75 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 5.65 0.27 -0.32 -2.67 4.77 -1.26 -0.74 117.00 122.70 1t60 n LEU 47 Ca 0.20 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.92 1t60 n LEU 47 Cb 0.32 -0.64 0.35 0.00 -2.33 0.00 0.00 43.42 41.12 1t60 n LEU 47 CO 0.69 -0.70 0.64 0.61 -1.33 0.00 0.00 177.39 177.30 1t60 n GLY 48 N -1.38 -0.42 3.73 -0.72 0.00 -1.26 -4.43 105.19 100.70 1t60 n GLY 48 Ca -0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.42 3.95 0.64 2.61 -4.23 0.08 -2.91 115.64 113.36 1t60 s THR 49 Ca 0.25 -1.60 0.42 0.00 -1.18 0.00 0.00 61.69 59.59 1t60 s THR 49 Cb 0.19 -3.10 0.43 0.00 1.34 0.00 0.00 72.50 71.36 1t60 s THR 49 CO 0.50 -0.32 2.34 0.00 -0.54 0.00 0.00 174.62 176.60 1t60 h ALA 50 N 1.84 1.08 0.00 3.99 0.00 -1.91 -1.97 119.26 122.30 1t60 h ALA 50 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t60 h ALA 50 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1t60 h ALA 50 CO 0.60 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.64 1t60 h GLY 51 N 0.08 0.00 -1.19 0.00 0.00 -1.95 -1.65 103.07 98.36 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 -2.62 1.97 -3.83 0.19 3.41 -0.74 -4.68 113.62 107.31 1t60 n SER 52 Ca 0.00 -1.85 -0.30 0.00 -0.26 0.00 0.00 58.87 56.46 1t60 n SER 52 Cb 0.20 -0.18 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 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 1.42 4.10 0.40 0.00 1.43 -0.80 -4.82 118.68 120.41 1t60 s LEU 54 Ca 0.08 0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.55 1t60 s LEU 54 Cb -0.18 -2.01 0.85 0.00 0.03 0.00 0.00 46.19 44.88 1t60 s LEU 54 CO -0.18 0.32 2.04 0.03 0.23 0.00 0.00 176.35 178.79 1t60 h ARG 55 N 5.64 0.57 -5.86 1.70 3.08 -1.89 0.18 114.38 117.81 1t60 h ARG 55 Ca -0.48 -0.03 -0.60 0.00 0.07 0.00 0.00 59.98 58.94 1t60 h ARG 55 Cb 1.20 -0.13 -0.30 0.00 0.08 0.00 0.00 29.97 30.82 1t60 h ARG 55 CO 0.63 0.37 -0.85 0.15 -1.07 0.00 0.00 179.97 179.20 1t60 s LYS 56 N -5.52 1.73 0.32 0.04 1.02 -1.26 -4.66 119.74 111.41 1t60 s LYS 56 Ca -0.08 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 1t60 s LYS 56 Cb 0.18 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.82 1t60 s LYS 56 CO 0.74 0.40 0.54 0.12 -0.92 0.00 0.00 175.35 176.22 1t60 s PHE 57 N -0.36 3.49 -0.27 3.18 2.19 -1.26 -4.92 117.98 120.03 1t60 s PHE 57 Ca 0.05 0.45 -0.26 0.00 0.33 0.00 0.00 56.93 57.49 1t60 s PHE 57 Cb -0.09 -1.96 0.16 0.00 -1.31 0.00 0.00 43.02 39.82 1t60 s PHE 57 CO 0.00 0.15 1.26 0.45 1.83 0.00 0.00 175.22 178.91 1t60 s SER 58 N -3.68 -0.20 0.41 6.13 0.15 -1.26 -5.00 113.70 110.25 1t60 s SER 58 Ca 0.41 0.33 0.29 0.00 0.70 0.00 0.00 55.95 57.69 1t60 s SER 58 Cb -0.10 0.32 1.30 0.00 -1.71 0.00 0.00 66.02 65.83 1t60 s SER 58 CO 0.34 -0.10 1.87 0.71 1.20 0.00 0.00 173.24 177.26 1t60 h THR 59 N 2.95 0.00 -2.60 6.45 1.35 -1.94 -3.31 112.91 115.81 1t60 h THR 59 Ca -0.23 -0.27 -0.59 0.00 -0.55 0.00 0.00 66.41 64.77 1t60 h THR 59 Cb 1.18 1.08 -0.39 0.00 -1.73 0.00 0.00 68.15 68.30 1t60 h THR 59 CO 0.19 0.00 -0.86 -0.32 -0.25 0.00 0.00 175.52 174.28 1t60 s MET 60 N -3.56 1.04 0.00 4.72 -2.45 -1.26 -4.08 119.30 113.71 1t60 s MET 60 Ca 0.01 -2.01 0.10 0.00 -1.25 0.00 0.00 55.69 52.54 1t60 s MET 60 Cb 0.09 -1.75 0.49 0.00 1.25 0.00 0.00 34.83 34.91 1t60 s MET 60 CO 0.42 -1.29 1.33 -0.35 1.05 0.00 0.00 175.02 176.17 1t60 n PRO 61 N 3.19 1.16 -4.15 4.11 -0.04 -1.25 -4.89 135.00 133.13 1t60 n PRO 61 Ca 0.20 -0.25 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 1t60 n PRO 61 Cb 0.41 -1.17 -0.08 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.93 0.99 0.21 0.54 -0.71 -1.26 -5.10 117.98 110.72 1t60 s PHE 62 Ca 0.15 -1.22 -0.04 0.00 -1.04 0.00 0.00 56.93 54.78 1t60 s PHE 62 Cb 0.07 -0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 1t60 s PHE 62 CO 0.12 -0.78 0.21 -0.48 -1.34 0.00 0.00 175.22 172.95 1t60 s LEU 63 N -3.14 0.99 0.07 -1.99 0.05 -1.26 -4.48 118.68 108.92 1t60 s LEU 63 Ca 0.34 -1.27 0.05 0.00 0.05 0.00 0.00 54.13 53.30 1t60 s LEU 63 Cb 0.04 0.69 -0.03 0.00 -2.05 0.00 0.00 46.19 44.85 1t60 s LEU 63 CO 0.13 -0.90 -0.14 0.72 -0.55 0.00 0.00 176.35 175.61 1t60 s PHE 64 N -4.12 1.20 0.19 3.48 -0.12 -0.65 -4.97 117.98 112.99 1t60 s PHE 64 Ca 0.34 -0.47 0.09 0.00 -0.05 0.00 0.00 56.93 56.83 1t60 s PHE 64 Cb 0.05 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.72 1t60 s PHE 64 CO 0.11 0.06 -0.17 0.00 -0.05 0.00 0.00 175.22 175.16 1t60 s ASN 66 N -3.02 2.69 0.30 0.00 2.47 -0.82 -4.99 114.94 111.58 1t60 s ASN 66 Ca 0.20 -1.27 0.23 0.00 0.42 0.00 0.00 52.86 52.44 1t60 s ASN 66 Cb -0.04 -0.15 1.09 0.00 -1.45 0.00 0.00 41.25 40.70 1t60 s ASN 66 CO 0.08 -0.44 1.70 0.00 -3.72 0.00 0.00 177.10 174.71 1t60 n ILE 67 N -0.64 0.92 1.62 -5.21 3.06 -1.26 -1.30 119.36 116.55 1t60 n ILE 67 Ca -0.04 0.48 0.01 0.00 -2.50 0.00 0.00 62.75 60.70 1t60 n ILE 67 Cb 0.65 -1.45 0.04 0.00 0.54 0.00 0.00 39.64 39.41 1t60 n ILE 67 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1t60 n ASN 68 N -2.27 0.57 -3.61 9.51 6.94 -1.26 -4.87 115.26 120.27 1t60 n ASN 68 Ca 0.00 -2.01 -0.24 0.00 -0.02 0.00 0.00 54.58 52.31 1t60 n ASN 68 Cb 0.14 -0.11 0.08 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.22 -5.99 -4.00 0.53 3.02 -0.42 -5.01 115.26 103.16 1t60 n ASN 69 Ca 0.03 -0.56 -0.27 0.00 -0.03 0.00 0.00 54.58 53.75 1t60 n ASN 69 Cb 0.11 -4.96 -0.17 0.00 -0.61 0.00 0.00 39.78 34.15 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 -3.32 1.24 0.04 2.41 1.01 -1.25 -4.98 120.40 115.55 1t60 s VAL 70 Ca 0.55 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1t60 s VAL 70 Cb -0.25 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1t60 s VAL 70 CO 0.74 0.39 0.01 0.00 0.00 0.00 0.00 175.10 176.24 1t60 s ASN 72 N -1.93 2.06 -0.16 0.00 0.01 0.15 -4.98 114.94 110.10 1t60 s ASN 72 Ca 0.23 -0.35 -0.01 0.00 -0.71 0.00 0.00 52.86 52.02 1t60 s ASN 72 Cb -0.12 -0.93 -0.01 0.00 0.41 0.00 0.00 41.25 40.60 1t60 s ASN 72 CO 0.15 0.03 -0.13 0.12 -1.51 0.00 0.00 177.10 175.76 1t60 s PHE 73 N 0.80 2.83 -1.64 2.20 5.36 -1.26 -1.64 117.98 124.62 1t60 s PHE 73 Ca -0.12 -0.90 -0.17 0.00 -0.96 0.00 0.00 56.93 54.78 1t60 s PHE 73 Cb -0.16 -1.91 0.13 0.00 -0.34 0.00 0.00 43.02 40.74 1t60 s PHE 73 CO 0.02 -0.41 0.86 0.00 -1.46 0.00 0.00 175.22 174.23 1t60 n ALA 74 N 4.02 -1.28 -1.88 11.12 0.00 -1.26 -4.88 120.51 126.36 1t60 n ALA 74 Ca -0.19 0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1t60 n ALA 74 Cb 0.52 -3.85 0.13 0.00 0.00 0.00 0.00 19.45 16.25 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 -2.73 2.37 0.00 0.00 7.64 -1.26 -4.86 113.62 114.78 1t60 n SER 75 Ca 0.06 -3.53 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1t60 n SER 75 Cb 0.51 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.79 0.00 -2.74 1.43 0.63 -1.26 -5.09 116.66 108.85 1t60 n ARG 76 Ca 0.23 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 57.06 1t60 n ARG 76 Cb 0.82 0.00 0.06 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 -0.01 -4.97 6.15 5.03 -1.26 -4.96 115.26 115.25 1t60 n ASN 77 Ca 0.00 -2.73 -0.22 0.00 0.87 0.00 0.00 54.58 52.50 1t60 n ASN 77 Cb 0.00 0.15 0.02 0.00 -1.02 0.00 0.00 39.78 38.94 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 -2.27 5.59 0.23 6.41 -0.00 -1.26 -4.91 116.67 120.45 1t60 s ASP 78 Ca 0.26 0.10 0.07 0.00 -0.00 0.00 0.00 52.55 52.99 1t60 s ASP 78 Cb 0.42 -1.19 -0.05 0.00 -0.00 0.00 0.00 42.92 42.09 1t60 s ASP 78 CO -0.02 -0.88 -0.10 -0.31 -0.00 0.00 0.00 175.17 173.85 1t60 s TYR 79 N -2.62 1.76 -0.02 4.23 1.51 -0.72 -1.54 117.35 119.96 1t60 s TYR 79 Ca 0.52 -0.66 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1t60 s TYR 79 Cb -0.10 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 1t60 s TYR 79 CO 0.38 0.28 0.07 -1.54 -1.11 0.00 0.00 175.55 173.63 1t60 s SER 80 N -3.35 -0.01 -0.03 2.29 1.04 -0.72 -1.52 113.70 111.40 1t60 s SER 80 Ca 0.25 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.70 1t60 s SER 80 Cb 0.02 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 1t60 s SER 80 CO 0.09 -0.14 -0.16 -0.31 0.98 0.00 0.00 173.24 173.69 1t60 s TYR 81 N -0.51 1.58 0.05 5.02 2.02 0.11 -0.70 117.35 124.93 1t60 s TYR 81 Ca -0.06 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1t60 s TYR 81 Cb -0.04 -1.06 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1t60 s TYR 81 CO 0.00 -0.13 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.15 1t60 s TRP 82 N -0.04 1.04 0.36 2.71 0.52 -0.94 -0.44 118.94 122.16 1t60 s TRP 82 Ca -0.01 -0.42 -0.28 0.00 0.02 0.00 0.00 56.10 55.41 1t60 s TRP 82 Cb -0.10 -0.61 -0.10 0.00 -1.15 0.00 0.00 33.47 31.51 1t60 s TRP 82 CO 0.01 0.01 1.38 -0.51 0.02 0.00 0.00 176.95 177.87 1t60 s LEU 83 N -1.42 4.36 0.47 2.99 1.43 -0.56 -0.99 118.68 124.95 1t60 s LEU 83 Ca -0.03 2.83 0.07 0.00 -1.03 0.00 0.00 54.13 55.98 1t60 s LEU 83 Cb -0.09 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1t60 s LEU 83 CO 0.01 -0.70 0.33 -0.94 0.23 0.00 0.00 176.35 175.28 1t60 s SER 84 N -0.37 4.71 0.28 2.29 1.04 -0.11 -1.05 113.70 120.49 1t60 s SER 84 Ca 0.51 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.93 1t60 s SER 84 Cb -0.42 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 65.57 1t60 s SER 84 CO 0.57 -0.80 0.29 0.35 0.98 0.00 0.00 173.24 174.62 1t60 n THR 85 N -1.54 0.00 1.82 2.02 -2.24 -0.73 -4.52 114.28 109.09 1t60 n THR 85 Ca 0.00 -0.61 0.16 0.00 -2.27 0.00 0.00 64.05 61.33 1t60 n THR 85 Cb 0.64 -0.95 0.89 0.00 -2.10 0.00 0.00 70.33 68.80 1t60 n THR 85 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1t60 n PRO 86 N -1.48 0.82 -1.76 -0.78 -0.02 -1.26 -4.85 135.00 125.67 1t60 n PRO 86 Ca 0.05 -0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 1t60 n PRO 86 Cb 0.20 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1t60 n PRO 86 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1t60 s GLU 87 N -2.18 4.15 0.68 -0.52 2.56 -1.26 -4.97 118.70 117.15 1t60 s GLU 87 Ca 0.42 2.54 -0.06 0.00 0.00 0.00 0.00 54.97 57.86 1t60 s GLU 87 Cb 0.21 -3.69 0.05 0.00 2.00 0.00 0.00 34.13 32.71 1t60 s GLU 87 CO 0.40 -0.84 0.99 -1.25 -0.56 0.00 0.00 175.26 174.00 1t60 s PRO 88 N 3.00 2.34 0.43 4.30 0.04 -1.26 -4.97 135.00 138.88 1t60 s PRO 88 Ca 0.80 -0.22 -0.26 0.00 0.04 0.00 0.00 61.00 61.37 1t60 s PRO 88 Cb -0.44 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 1t60 s PRO 88 CO 0.36 -1.13 1.38 -1.64 0.04 0.00 0.00 177.00 176.01 1t60 s MET 89 N -5.19 3.84 1.03 4.56 -1.94 -1.26 -4.96 119.30 115.38 1t60 s MET 89 Ca 0.59 2.33 -0.12 0.00 -1.71 0.00 0.00 55.69 56.78 1t60 s MET 89 Cb -0.11 -2.72 0.20 0.00 2.01 0.00 0.00 34.83 34.20 1t60 s MET 89 CO 0.45 -0.66 1.00 -2.30 -0.01 0.00 0.00 175.02 173.49 1t60 n PRO 90 N -0.01 -1.29 0.07 2.03 -0.02 -1.26 -4.82 135.00 129.70 1t60 n PRO 90 Ca 0.04 -0.33 0.09 0.00 -2.02 0.00 0.00 63.50 61.28 1t60 n PRO 90 Cb 0.42 -2.23 0.54 0.00 -0.02 0.00 0.00 33.50 32.21 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 -2.20 0.28 0.00 -0.52 2.86 -1.98 -1.08 114.93 112.28 1t60 h MET 91 Ca -0.51 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 1t60 h MET 91 Cb 1.30 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 1t60 h MET 91 CO 0.44 0.18 -0.15 0.66 1.06 0.00 0.00 176.91 179.10 1t60 h SER 92 N 0.28 0.00 -0.59 1.22 4.64 -2.03 -3.46 113.55 113.62 1t60 h SER 92 Ca 0.14 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.20 1t60 h SER 92 Cb 0.19 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.18 1t60 h SER 92 CO -0.03 0.15 -0.23 0.23 -0.87 0.00 0.00 176.83 176.08 1t60 n MET 93 N -3.56 -1.18 -3.05 4.77 0.00 -0.41 -4.99 117.12 108.69 1t60 n MET 93 Ca -0.01 0.91 -0.26 0.00 0.00 0.00 0.00 57.70 58.34 1t60 n MET 93 Cb 0.29 -5.07 -0.01 0.00 0.00 0.00 0.00 33.22 28.43 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 -2.30 3.56 0.38 3.04 0.00 -1.26 -5.00 121.76 120.17 1t60 s ALA 94 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.01 1t60 s ALA 94 Cb 0.00 -2.34 -0.11 0.00 0.00 0.00 0.00 23.12 20.66 1t60 s ALA 94 CO 0.00 -0.13 1.14 -2.30 0.00 0.00 0.00 175.76 174.46 1t60 n PRO 95 N -1.89 1.66 -3.47 0.00 -0.02 -1.26 -4.81 135.00 125.21 1t60 n PRO 95 Ca -0.02 0.59 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 1t60 n PRO 95 Cb 0.55 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.18 4.98 0.09 4.25 1.01 0.15 -4.85 121.20 125.65 1t60 s ILE 96 Ca 0.60 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1t60 s ILE 96 Cb -0.57 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1t60 s ILE 96 CO 0.59 0.38 -0.06 0.42 0.00 0.00 0.00 174.94 176.27 1t60 s THR 97 N -1.30 0.62 0.00 2.92 -4.23 -1.26 -1.35 115.64 111.04 1t60 s THR 97 Ca 0.31 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1t60 s THR 97 Cb -0.15 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1t60 s THR 97 CO 0.17 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1t60 n GLY 98 N -0.02 2.56 0.34 3.99 0.00 -1.26 -2.45 105.19 108.35 1t60 n GLY 98 Ca -0.12 -0.33 0.17 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.68 114.58 118.09 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 -3.90 0.53 0.06 1.04 3.02 -1.03 -2.33 115.26 112.64 1t60 n ASN 100 Ca 0.03 0.67 -0.12 0.00 -0.03 0.00 0.00 54.58 55.12 1t60 n ASN 100 Cb 0.36 -0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 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 1.39 -0.92 2.41 2.04 -1.23 -3.36 117.51 117.83 1t60 h ILE 101 Ca 0.00 -2.30 0.24 0.00 1.00 0.00 0.00 64.86 63.80 1t60 h ILE 101 Cb 0.22 2.27 -0.17 0.00 -0.74 0.00 0.00 36.82 38.40 1t60 h ILE 101 CO 0.00 0.69 0.05 -0.09 0.00 0.00 0.00 178.15 178.80 1t60 h ARG 102 N 0.27 0.06 0.00 2.37 2.43 -1.63 0.95 114.38 118.82 1t60 h ARG 102 Ca -0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1t60 h ARG 102 Cb 1.46 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1t60 h ARG 102 CO 0.15 0.04 0.00 -2.30 -1.51 0.00 0.00 179.97 176.34 1t60 n PRO 103 N -5.42 0.06 0.01 0.20 -0.02 -1.26 -2.71 135.00 125.86 1t60 n PRO 103 Ca 0.21 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.26 1t60 n PRO 103 Cb 0.69 -1.66 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 1t60 n PRO 103 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1t60 n PHE 104 N -1.79 0.11 -3.37 6.00 3.01 0.33 -4.56 117.46 117.19 1t60 n PHE 104 Ca 0.01 0.03 -0.38 0.00 1.01 0.00 0.00 57.45 58.11 1t60 n PHE 104 Cb 0.08 -0.28 -0.08 0.00 -0.01 0.00 0.00 39.48 39.19 1t60 n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1t60 s ILE 105 N -3.17 5.18 0.58 4.37 -1.09 -1.10 -1.77 121.20 124.20 1t60 s ILE 105 Ca 0.03 0.71 -0.19 0.00 -2.23 0.00 0.00 60.65 58.98 1t60 s ILE 105 Cb 0.15 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1t60 s ILE 105 CO 0.84 0.22 1.17 -0.55 -1.23 0.00 0.00 174.94 175.39 1t60 s SER 106 N 1.19 5.36 0.24 3.58 0.15 -0.22 -4.45 113.70 119.55 1t60 s SER 106 Ca 0.19 2.29 0.06 0.00 0.70 0.00 0.00 55.95 59.18 1t60 s SER 106 Cb -0.15 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 1t60 s SER 106 CO 0.08 -1.47 0.26 -0.13 1.20 0.00 0.00 173.24 173.18 1t60 s ARG 107 N -3.37 3.14 0.13 5.44 1.81 -0.83 -1.64 118.95 123.63 1t60 s ARG 107 Ca 0.75 -0.91 -0.01 0.00 -1.72 0.00 0.00 55.73 53.83 1t60 s ARG 107 Cb -0.27 -2.71 -0.04 0.00 -0.45 0.00 0.00 34.95 31.48 1t60 s ARG 107 CO 0.31 0.42 0.07 0.00 -0.68 0.00 0.00 175.30 175.43 1t60 s ALA 109 N -4.05 0.38 -0.26 0.00 0.00 0.26 -1.55 121.76 116.54 1t60 s ALA 109 Ca 0.24 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 1t60 s ALA 109 Cb 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1t60 s ALA 109 CO 0.02 -0.03 0.13 0.08 0.00 0.00 0.00 175.76 175.96 1t60 s VAL 110 N 0.79 4.83 0.04 0.00 1.01 -0.14 -0.98 120.40 125.95 1t60 s VAL 110 Ca -0.08 0.01 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1t60 s VAL 110 Cb -0.12 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1t60 s VAL 110 CO -0.01 0.30 -0.17 0.00 0.00 0.00 0.00 175.10 175.22 1t60 s GLU 112 N -1.47 4.24 0.03 0.00 2.12 0.66 -0.59 118.70 123.69 1t60 s GLU 112 Ca 0.15 0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.74 1t60 s GLU 112 Cb -0.11 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1t60 s GLU 112 CO 0.06 0.26 -0.17 0.00 -0.54 0.00 0.00 175.26 174.86 1t60 s ALA 113 N 0.39 2.63 0.21 6.30 0.00 0.14 -1.52 121.76 129.92 1t60 s ALA 113 Ca 0.19 -1.17 0.34 0.00 0.00 0.00 0.00 51.96 51.32 1t60 s ALA 113 Cb -0.14 -0.78 1.49 0.00 0.00 0.00 0.00 23.12 23.70 1t60 s ALA 113 CO 0.06 0.58 2.03 -1.00 0.00 0.00 0.00 175.76 177.43 1t60 h PRO 114 N 4.56 0.00 -3.98 0.00 0.13 -1.85 -3.16 132.00 127.71 1t60 h PRO 114 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1t60 h PRO 114 Cb 1.16 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 1t60 h PRO 114 CO 0.48 0.03 -0.23 0.00 -0.23 0.00 0.00 178.00 178.06 1t60 s ALA 115 N -3.78 0.36 0.34 -0.56 0.00 -1.26 -4.53 121.76 112.33 1t60 s ALA 115 Ca -0.00 -1.25 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 1t60 s ALA 115 Cb 0.10 1.15 -0.13 0.00 0.00 0.00 0.00 23.12 24.24 1t60 s ALA 115 CO 0.54 -0.79 0.89 -1.33 0.00 0.00 0.00 175.76 175.07 1t60 n MET 116 N -0.43 1.12 -4.95 0.00 2.81 -1.26 -4.67 117.12 109.74 1t60 n MET 116 Ca -0.00 0.40 -0.27 0.00 -1.81 0.00 0.00 57.70 56.02 1t60 n MET 116 Cb 0.62 -1.77 -0.16 0.00 -0.71 0.00 0.00 33.22 31.21 1t60 n MET 116 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1t60 s VAL 117 N -1.18 1.55 0.23 2.03 1.01 -1.26 -1.92 120.40 120.86 1t60 s VAL 117 Ca 0.61 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1t60 s VAL 117 Cb -0.67 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1t60 s VAL 117 CO 0.59 0.44 0.42 0.00 0.00 0.00 0.00 175.10 176.55 1t60 s MET 118 N -0.35 1.47 0.10 2.72 0.23 -0.03 -4.84 119.30 118.60 1t60 s MET 118 Ca 0.05 -1.28 0.09 0.00 -1.03 0.00 0.00 55.69 53.52 1t60 s MET 118 Cb -0.09 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 1t60 s MET 118 CO 0.00 -0.59 -0.21 0.00 -2.03 0.00 0.00 175.02 172.19 1t60 s ALA 119 N -4.03 2.54 0.04 3.16 0.00 -0.61 -0.06 121.76 122.81 1t60 s ALA 119 Ca 0.24 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.90 1t60 s ALA 119 Cb 0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1t60 s ALA 119 CO 0.08 0.57 -0.13 0.14 0.00 0.00 0.00 175.76 176.42 1t60 s VAL 120 N -1.05 1.04 -0.06 0.00 -7.23 -0.71 -4.49 120.40 107.91 1t60 s VAL 120 Ca 0.16 -0.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.41 1t60 s VAL 120 Cb -0.10 -0.95 -0.00 0.00 0.56 0.00 0.00 36.38 35.88 1t60 s VAL 120 CO 0.07 -0.01 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.65 1t60 s HIS 121 N -0.85 2.04 0.05 2.82 3.76 -1.26 -1.73 115.29 120.13 1t60 s HIS 121 Ca 0.01 -0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 1t60 s HIS 121 Cb -0.08 -1.37 -0.26 0.00 1.11 0.00 0.00 32.58 31.98 1t60 s HIS 121 CO 0.01 -0.22 1.04 0.66 -0.85 0.00 0.00 174.74 175.38 1t60 h SER 122 N 6.30 0.30 -1.25 1.40 4.64 -1.59 -3.48 113.55 119.87 1t60 h SER 122 Ca -0.30 -0.36 -0.23 0.00 -0.47 0.00 0.00 61.79 60.42 1t60 h SER 122 Cb 1.18 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 1t60 h SER 122 CO 0.47 1.29 -0.26 0.00 -0.87 0.00 0.00 176.83 177.46 1t60 n GLN 123 N -3.44 -0.87 -4.06 4.77 6.02 -1.26 -4.94 117.38 113.60 1t60 n GLN 123 Ca -0.10 0.67 -0.14 0.00 -0.01 0.00 0.00 57.00 57.42 1t60 n GLN 123 Cb 1.02 -4.75 -0.03 0.00 1.02 0.00 0.00 30.24 27.49 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 -2.52 0.00 -1.74 5.09 -4.23 -1.26 0.37 115.64 111.36 1t60 s THR 124 Ca 0.00 -1.54 0.31 0.00 -1.18 0.00 0.00 61.69 59.28 1t60 s THR 124 Cb 0.00 -2.66 0.72 0.00 1.34 0.00 0.00 72.50 71.90 1t60 s THR 124 CO 0.00 0.00 2.13 2.30 -0.54 0.00 0.00 174.62 178.51 1t60 n ILE 125 N -0.56 0.00 -3.18 2.99 -5.35 -1.26 -2.56 119.36 109.43 1t60 n ILE 125 Ca 0.00 -0.01 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1t60 n ILE 125 Cb 0.61 -0.47 -0.06 0.00 -1.74 0.00 0.00 39.64 37.98 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 -2.27 4.06 -0.15 6.28 -1.52 -1.26 -4.87 119.66 119.92 1t60 s GLN 126 Ca 0.39 0.67 -0.29 0.00 -1.95 0.00 0.00 55.36 54.17 1t60 s GLN 126 Cb 0.21 -2.67 -0.00 0.00 -0.22 0.00 0.00 33.01 30.33 1t60 s GLN 126 CO 0.41 0.29 1.05 0.42 -0.25 0.00 0.00 175.29 177.21 1t60 s ILE 127 N -1.75 4.68 0.17 1.08 1.01 -1.26 -4.47 121.20 120.66 1t60 s ILE 127 Ca 0.48 1.98 -0.31 0.00 0.00 0.00 0.00 60.65 62.80 1t60 s ILE 127 Cb -0.13 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 1t60 s ILE 127 CO 0.19 -0.08 1.35 -2.16 0.00 0.00 0.00 174.94 174.24 1t60 s PRO 128 N 2.57 4.35 0.51 2.79 0.04 -1.26 -5.00 135.00 139.01 1t60 s PRO 128 Ca 0.48 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 1t60 s PRO 128 Cb -0.18 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 1t60 s PRO 128 CO 0.13 -0.34 1.01 1.14 0.04 0.00 0.00 177.00 178.98 1t60 s GLN 129 N 0.38 3.82 0.55 4.56 -2.07 -1.26 -4.45 119.66 121.18 1t60 s GLN 129 Ca 0.60 1.12 -0.18 0.00 -1.82 0.00 0.00 55.36 55.08 1t60 s GLN 129 Cb -0.37 -2.11 -0.06 0.00 -1.09 0.00 0.00 33.01 29.39 1t60 s GLN 129 CO 0.35 -0.39 1.08 0.00 -1.32 0.00 0.00 175.29 175.01 1t60 s PRO 131 N -3.54 2.24 0.33 0.00 0.02 -1.26 -4.86 135.00 127.93 1t60 s PRO 131 Ca 0.68 1.70 -0.29 0.00 0.02 0.00 0.00 61.00 63.11 1t60 s PRO 131 Cb -0.19 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 1t60 s PRO 131 CO 0.28 -1.75 1.55 2.41 -0.33 0.00 0.00 177.00 179.17 1t60 n THR 132 N -2.67 1.42 -0.21 0.99 -1.04 -1.26 -1.11 114.28 110.40 1t60 n THR 132 Ca 0.13 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1t60 n THR 132 Cb 0.50 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 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 1.46 0.76 3.40 3.41 0.00 -1.26 -5.05 105.19 107.92 1t60 n GLY 133 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.52 2.47 0.26 1.61 0.52 -0.27 -4.56 118.94 116.45 1t60 s TRP 134 Ca 0.00 -0.32 0.09 0.00 0.02 0.00 0.00 56.10 55.89 1t60 s TRP 134 Cb 0.00 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.81 1t60 s TRP 134 CO 0.00 0.16 0.04 -1.54 0.02 0.00 0.00 176.95 175.63 1t60 s SER 135 N -1.18 4.76 0.28 2.95 1.04 0.13 -4.68 113.70 117.01 1t60 s SER 135 Ca 0.13 -0.55 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 1t60 s SER 135 Cb -0.10 -0.97 -0.09 0.00 0.10 0.00 0.00 66.02 64.95 1t60 s SER 135 CO 0.03 -0.00 0.90 -0.55 0.98 0.00 0.00 173.24 174.59 1t60 s SER 136 N -3.68 7.35 -0.09 7.02 0.15 -1.26 -0.20 113.70 122.99 1t60 s SER 136 Ca 0.32 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.75 1t60 s SER 136 Cb -0.07 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.63 1t60 s SER 136 CO 0.21 0.00 -0.08 0.18 1.20 0.00 0.00 173.24 174.75 1t60 n LEU 137 N 0.81 2.77 -3.63 3.45 4.77 0.51 -4.86 117.00 120.83 1t60 n LEU 137 Ca 0.00 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 1t60 n LEU 137 Cb 0.50 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1t60 n LEU 137 CO 0.45 0.61 0.97 -1.66 -1.33 0.00 0.00 177.39 176.43 1t60 s TRP 138 N -2.18 -0.10 0.26 -1.77 -2.14 -1.17 -4.76 118.94 107.08 1t60 s TRP 138 Ca -0.12 -0.03 0.08 0.00 2.66 0.00 0.00 56.10 58.69 1t60 s TRP 138 Cb 0.03 0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 30.90 1t60 s TRP 138 CO 0.20 -0.36 -0.11 0.96 -2.66 0.00 0.00 176.95 174.98 1t60 s ILE 139 N -2.60 1.85 0.00 0.66 -4.36 -1.26 0.05 121.20 115.53 1t60 s ILE 139 Ca 0.12 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 1t60 s ILE 139 Cb 0.02 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.43 1t60 s ILE 139 CO -0.03 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.34 1t60 n GLY 140 N -0.53 1.95 3.26 6.27 0.00 -0.55 -4.38 105.19 111.20 1t60 n GLY 140 Ca -0.06 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.66 1.95 -0.63 1.61 1.51 0.90 -1.96 117.35 120.06 1t60 s TYR 141 Ca 0.00 -0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 1t60 s TYR 141 Cb 0.00 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1t60 s TYR 141 CO 0.00 0.03 1.96 -1.12 -1.11 0.00 0.00 175.55 175.31 1t60 s SER 142 N -0.84 5.11 -0.32 2.29 0.01 -0.72 -1.92 113.70 117.31 1t60 s SER 142 Ca 0.08 0.32 -0.11 0.00 1.31 0.00 0.00 55.95 57.55 1t60 s SER 142 Cb -0.09 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1t60 s SER 142 CO 0.00 -2.52 0.20 0.12 0.41 0.00 0.00 173.24 171.45 1t60 s PHE 143 N 9.76 3.21 -0.17 2.43 5.36 0.01 -1.31 117.98 137.27 1t60 s PHE 143 Ca 0.72 -0.25 -0.03 0.00 -0.96 0.00 0.00 56.93 56.42 1t60 s PHE 143 Cb -0.13 -2.41 -0.10 0.00 -0.34 0.00 0.00 43.02 40.04 1t60 s PHE 143 CO 0.19 -0.35 -0.18 1.55 -1.46 0.00 0.00 175.22 174.97 1t60 n VAL 144 N 5.06 0.97 -3.89 3.12 3.14 -0.50 -4.31 118.33 121.92 1t60 n VAL 144 Ca -0.13 -0.32 -0.11 0.00 -2.96 0.00 0.00 64.34 60.82 1t60 n VAL 144 Cb 0.50 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 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 -2.33 2.14 0.16 1.45 0.23 -1.15 -0.15 119.30 119.66 1t60 s MET 145 Ca -0.24 -1.53 -0.22 0.00 -1.03 0.00 0.00 55.69 52.67 1t60 s MET 145 Cb 0.07 0.57 0.06 0.00 -1.53 0.00 0.00 34.83 34.01 1t60 s MET 145 CO 0.36 -0.97 0.59 -3.38 -2.03 0.00 0.00 175.02 169.59 1t60 s HIS 146 N -2.54 -0.48 0.05 3.16 -3.43 -0.59 -0.26 115.29 111.20 1t60 s HIS 146 Ca 0.20 0.25 -0.09 0.00 -0.80 0.00 0.00 55.06 54.62 1t60 s HIS 146 Cb -0.04 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1t60 s HIS 146 CO 0.14 -0.86 0.18 0.95 -2.00 0.00 0.00 174.74 173.15 1t60 s THR 147 N -3.77 0.12 0.00 -5.38 -4.23 -0.88 -2.70 115.64 98.81 1t60 s THR 147 Ca 0.02 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1t60 s THR 147 Cb -0.01 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.78 1t60 s THR 147 CO -0.12 -0.55 0.00 -0.24 -0.54 0.00 0.00 174.62 173.17 1t60 n SER 148 N 0.46 0.00 -4.62 3.99 2.88 -0.25 -0.77 113.62 115.32 1t60 n SER 148 Ca -0.18 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 56.88 1t60 n SER 148 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.06 -1.08 -1.46 0.00 -1.26 -0.69 120.51 113.08 1t60 n ALA 149 Ca 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 1t60 n ALA 149 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.28 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 2.41 0.33 2.45 0.00 0.00 -1.26 -1.56 105.19 107.56 1t60 n GLY 150 Ca 0.15 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 1.05 -0.25 -2.10 4.61 0.00 0.13 -4.99 120.51 118.96 1t60 n ALA 151 Ca -0.03 0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.38 1t60 n ALA 151 Cb 0.46 -1.68 0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.38 3.37 0.00 0.00 0.41 -0.60 -4.70 118.70 113.80 1t60 s GLU 152 Ca 0.00 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.87 1t60 s GLU 152 Cb 0.00 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 1t60 s GLU 152 CO 0.00 -0.46 0.00 0.41 -0.49 0.00 0.00 175.26 174.72 1t60 n GLY 153 N -2.51 -0.55 0.35 -1.39 0.00 -1.26 -1.09 105.19 98.74 1t60 n GLY 153 Ca 0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.20 -1.26 1.61 3.41 -1.10 -4.68 113.62 111.41 1t60 n SER 154 Ca 0.00 -1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 57.46 1t60 n SER 154 Cb 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.05 1.88 3.56 5.00 0.00 -1.26 -1.54 105.19 112.77 1t60 n GLY 155 Ca -0.01 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.02 2.02 0.03 1.61 -1.52 0.79 -4.72 119.66 115.86 1t60 s GLN 156 Ca 0.02 -1.17 -0.30 0.00 -1.95 0.00 0.00 55.36 51.96 1t60 s GLN 156 Cb -0.01 -2.20 -0.04 0.00 -0.22 0.00 0.00 33.01 30.55 1t60 s GLN 156 CO 0.02 0.47 0.98 0.00 -0.25 0.00 0.00 175.29 176.50 1t60 s ALA 157 N -1.43 3.18 -1.08 6.09 0.00 -1.26 -4.87 121.76 122.39 1t60 s ALA 157 Ca 0.22 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.80 1t60 s ALA 157 Cb -0.10 -3.33 0.29 0.00 0.00 0.00 0.00 23.12 19.99 1t60 s ALA 157 CO 0.14 -0.18 1.18 1.28 0.00 0.00 0.00 175.76 178.18 1t60 n LEU 158 N 3.62 0.00 -0.63 0.00 4.77 -1.26 -0.78 117.00 122.72 1t60 n LEU 158 Ca 0.05 0.46 0.06 0.00 -0.03 0.00 0.00 56.01 56.55 1t60 n LEU 158 Cb 0.50 -0.46 0.13 0.00 -2.33 0.00 0.00 43.42 41.27 1t60 n LEU 158 CO 0.52 -0.36 0.59 0.00 -1.33 0.00 0.00 177.39 176.81 1t60 n ALA 159 N -1.46 2.27 -2.44 -1.18 0.00 -1.26 -4.64 120.51 111.79 1t60 n ALA 159 Ca 0.02 -1.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.10 1t60 n ALA 159 Cb 0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.00 6.77 0.64 0.00 0.15 0.04 -1.57 113.70 118.73 1t60 s SER 160 Ca 0.22 0.97 0.38 0.00 0.70 0.00 0.00 55.95 58.22 1t60 s SER 160 Cb 0.12 -2.25 2.12 0.00 -1.71 0.00 0.00 66.02 64.31 1t60 s SER 160 CO 0.16 0.16 2.28 -0.65 1.20 0.00 0.00 173.24 176.40 1t60 h PRO 161 N 3.78 0.00 0.00 5.44 0.11 -1.86 -1.09 132.00 138.39 1t60 h PRO 161 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1t60 h PRO 161 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t60 h PRO 161 CO 0.65 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.22 1t60 h GLY 162 N 0.00 0.00 -1.23 -0.55 0.00 -1.86 -1.26 103.07 98.16 1t60 h GLY 162 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 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 -2.66 1.97 -3.77 0.19 3.41 -0.41 -4.57 113.62 107.78 1t60 n SER 163 Ca -0.00 -1.89 -0.30 0.00 -0.26 0.00 0.00 58.87 56.42 1t60 n SER 163 Cb 0.16 -0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.27 4.47 0.44 0.00 1.43 -0.81 -4.75 118.68 119.73 1t60 s LEU 165 Ca 0.17 1.51 0.21 0.00 -1.03 0.00 0.00 54.13 54.99 1t60 s LEU 165 Cb -0.25 -3.28 0.99 0.00 0.03 0.00 0.00 46.19 43.68 1t60 s LEU 165 CO -0.01 0.02 1.88 -0.33 0.23 0.00 0.00 176.35 178.15 1t60 h GLU 166 N 5.53 0.00 -4.38 1.70 5.08 -1.88 0.25 114.58 120.89 1t60 h GLU 166 Ca -0.44 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.38 1t60 h GLU 166 Cb 1.21 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.10 1t60 h GLU 166 CO 0.71 0.26 -0.81 -1.21 -1.00 0.00 0.00 179.01 176.95 1t60 s GLU 167 N -3.92 1.69 0.30 2.33 2.02 -1.26 -4.72 118.70 115.15 1t60 s GLU 167 Ca -0.01 -0.34 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 1t60 s GLU 167 Cb 0.12 -1.63 -0.10 0.00 0.10 0.00 0.00 34.13 32.63 1t60 s GLU 167 CO 0.65 -0.19 1.22 0.12 0.02 0.00 0.00 175.26 177.08 1t60 s PHE 168 N 1.42 3.30 -0.11 1.61 2.19 -1.26 -4.97 117.98 120.15 1t60 s PHE 168 Ca 0.00 1.53 -0.06 0.00 0.33 0.00 0.00 56.93 58.73 1t60 s PHE 168 Cb -0.13 -3.50 0.05 0.00 -1.31 0.00 0.00 43.02 38.12 1t60 s PHE 168 CO -0.06 -1.28 0.26 1.03 1.83 0.00 0.00 175.22 177.00 1t60 s ARG 169 N -1.52 0.22 0.37 10.12 1.81 -1.26 -5.02 118.95 123.67 1t60 s ARG 169 Ca 0.47 0.57 0.06 0.00 -1.72 0.00 0.00 55.73 55.12 1t60 s ARG 169 Cb -0.36 -0.11 0.73 0.00 -0.45 0.00 0.00 34.95 34.77 1t60 s ARG 169 CO 0.47 -0.17 1.95 0.66 -0.68 0.00 0.00 175.30 177.52 1t60 h SER 170 N 7.26 0.42 -3.39 0.23 4.64 -1.99 -3.28 113.55 117.44 1t60 h SER 170 Ca -0.39 -0.06 -0.62 0.00 -0.47 0.00 0.00 61.79 60.26 1t60 h SER 170 Cb 1.16 -0.11 -0.41 0.00 -0.31 0.00 0.00 62.40 62.73 1t60 h SER 170 CO 0.35 0.45 -0.67 0.00 -0.87 0.00 0.00 176.83 176.09 1t60 s ALA 171 N -5.09 3.04 -1.51 5.18 0.00 -1.26 -4.40 121.76 117.73 1t60 s ALA 171 Ca -0.07 -3.27 0.30 0.00 0.00 0.00 0.00 51.96 48.92 1t60 s ALA 171 Cb 0.16 -2.03 1.55 0.00 0.00 0.00 0.00 23.12 22.79 1t60 s ALA 171 CO 0.75 -2.06 2.05 -0.35 0.00 0.00 0.00 175.76 176.15 1t60 n PRO 172 N 2.68 0.50 -4.02 0.00 -0.04 -1.24 -4.87 135.00 128.01 1t60 n PRO 172 Ca 0.15 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1t60 n PRO 172 Cb 0.36 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.49 0.39 0.12 0.54 -0.71 -1.26 -0.94 117.98 113.63 1t60 s PHE 173 Ca 0.31 -0.86 0.11 0.00 -1.04 0.00 0.00 56.93 55.44 1t60 s PHE 173 Cb 0.20 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1t60 s PHE 173 CO 0.44 -0.40 -0.27 -1.50 -1.34 0.00 0.00 175.22 172.15 1t60 s ILE 174 N -3.56 2.24 -0.19 -4.49 2.07 -0.16 -4.81 121.20 112.29 1t60 s ILE 174 Ca 0.03 -1.71 -0.09 0.00 -1.41 0.00 0.00 60.65 57.47 1t60 s ILE 174 Cb 0.05 -1.97 -0.05 0.00 0.13 0.00 0.00 42.46 40.62 1t60 s ILE 174 CO -0.09 0.13 0.12 -0.70 -1.91 0.00 0.00 174.94 172.48 1t60 s GLU 175 N -1.95 4.12 0.24 3.50 2.12 -0.93 -2.21 118.70 123.60 1t60 s GLU 175 Ca 0.14 -0.24 0.10 0.00 0.36 0.00 0.00 54.97 55.33 1t60 s GLU 175 Cb -0.10 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1t60 s GLU 175 CO 0.05 0.32 -0.18 0.00 -0.54 0.00 0.00 175.26 174.91 1t60 s HIS 177 N -2.62 1.59 0.56 0.00 0.09 0.82 -1.76 115.29 113.97 1t60 s HIS 177 Ca 0.26 -0.60 0.25 0.00 -0.00 0.00 0.00 55.06 54.97 1t60 s HIS 177 Cb -0.04 -0.76 1.55 0.00 -0.00 0.00 0.00 32.58 33.33 1t60 s HIS 177 CO 0.11 0.27 2.11 0.78 -0.00 0.00 0.00 174.74 178.01 1t60 h GLY 178 N 2.79 0.00 1.85 -2.22 0.00 -1.45 -0.29 103.07 103.75 1t60 h GLY 178 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1t60 h GLY 178 CO 0.60 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.18 1t60 n ARG 179 N -4.07 0.10 0.00 4.80 1.85 -1.26 -4.82 116.66 113.25 1t60 n ARG 179 Ca 0.02 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 1t60 n ARG 179 Cb 0.30 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 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 0.53 0.93 3.88 2.89 0.00 -0.12 -5.10 105.19 108.20 1t60 n GLY 180 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 4.84 0.02 2.61 -4.23 -1.25 -4.12 115.64 111.51 1t60 s THR 181 Ca 0.00 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.36 1t60 s THR 181 Cb 0.00 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1t60 s THR 181 CO 0.00 -0.25 0.09 0.00 -0.54 0.00 0.00 174.62 173.92 1t60 s ASN 183 N -1.79 -0.09 0.06 0.00 2.47 0.23 0.33 114.94 116.15 1t60 s ASN 183 Ca -0.10 -0.15 -0.07 0.00 0.42 0.00 0.00 52.86 52.96 1t60 s ASN 183 Cb -0.04 0.21 -0.05 0.00 -1.45 0.00 0.00 41.25 39.91 1t60 s ASN 183 CO -0.02 -0.38 0.33 -0.31 -3.72 0.00 0.00 177.10 173.00 1t60 s TYR 184 N -2.55 3.56 0.09 0.43 1.51 -1.26 -2.18 117.35 116.94 1t60 s TYR 184 Ca 0.13 0.63 0.07 0.00 -1.01 0.00 0.00 57.07 56.89 1t60 s TYR 184 Cb 0.03 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1t60 s TYR 184 CO -0.03 0.55 -0.17 0.71 -1.11 0.00 0.00 175.55 175.49 1t60 s TYR 185 N -1.40 1.50 0.53 2.71 1.51 -1.26 -5.04 117.35 115.90 1t60 s TYR 185 Ca 0.32 -0.44 0.22 0.00 -1.01 0.00 0.00 57.07 56.16 1t60 s TYR 185 Cb -0.13 -0.83 1.38 0.00 -0.11 0.00 0.00 41.96 42.27 1t60 s TYR 185 CO 0.19 0.13 2.08 0.00 -1.11 0.00 0.00 175.55 176.83 1t60 h ALA 186 N 4.20 2.20 -0.44 3.71 0.00 -2.03 -1.85 119.26 125.05 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 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t60 h ALA 186 CO 0.40 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.58 1t60 n ASN 187 N -4.37 4.38 -4.56 0.00 6.94 -1.26 -4.82 115.26 111.57 1t60 n ASN 187 Ca 0.03 -2.63 -0.43 0.00 -0.02 0.00 0.00 54.58 51.54 1t60 n ASN 187 Cb 0.35 -0.61 -0.04 0.00 -2.36 0.00 0.00 39.78 37.12 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 -2.21 3.19 -0.05 -2.53 0.00 -0.70 -4.16 121.76 115.30 1t60 s ALA 188 Ca 0.40 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 1t60 s ALA 188 Cb 0.30 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1t60 s ALA 188 CO 0.13 -2.22 -0.00 0.71 0.00 0.00 0.00 175.76 174.38 1t60 s TYR 189 N 3.97 3.10 -0.10 0.00 4.12 0.05 -4.96 117.35 123.54 1t60 s TYR 189 Ca 0.37 0.13 0.04 0.00 0.02 0.00 0.00 57.07 57.62 1t60 s TYR 189 Cb -0.10 -1.73 0.00 0.00 -1.52 0.00 0.00 41.96 38.61 1t60 s TYR 189 CO 0.25 0.45 -0.23 -1.54 0.02 0.00 0.00 175.55 174.50 1t60 s SER 190 N -1.18 3.01 -0.13 2.29 1.04 -1.26 -2.07 113.70 115.40 1t60 s SER 190 Ca 0.16 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 56.02 1t60 s SER 190 Cb -0.11 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.62 1t60 s SER 190 CO 0.06 0.15 -0.02 -0.36 0.98 0.00 0.00 173.24 174.05 1t60 s PHE 191 N 0.35 3.07 0.11 5.02 0.40 0.64 -4.99 117.98 122.58 1t60 s PHE 191 Ca -0.18 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 1t60 s PHE 191 Cb -0.18 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1t60 s PHE 191 CO 0.09 0.16 -0.14 -1.58 0.70 0.00 0.00 175.22 174.44 1t60 s TRP 192 N -0.10 1.38 0.30 0.36 0.52 -1.26 -1.42 118.94 118.72 1t60 s TRP 192 Ca 0.03 -0.53 -0.29 0.00 0.02 0.00 0.00 56.10 55.33 1t60 s TRP 192 Cb -0.13 -0.73 -0.10 0.00 -1.15 0.00 0.00 33.47 31.36 1t60 s TRP 192 CO 0.02 0.13 1.23 -0.51 0.02 0.00 0.00 176.95 177.84 1t60 s LEU 193 N -2.27 4.47 0.49 2.99 1.43 -0.43 -4.90 118.68 120.47 1t60 s LEU 193 Ca 0.06 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.68 1t60 s LEU 193 Cb -0.06 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.53 1t60 s LEU 193 CO 0.03 -0.38 0.71 0.00 0.23 0.00 0.00 176.35 176.93 1t60 s ALA 194 N -1.04 3.86 0.13 4.21 0.00 -1.26 -0.94 121.76 126.73 1t60 s ALA 194 Ca 0.48 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.00 1t60 s ALA 194 Cb -0.36 -2.08 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1t60 s ALA 194 CO 0.47 -0.53 0.70 0.95 0.00 0.00 0.00 175.76 177.35 1t60 s THR 195 N -2.63 4.51 -0.05 0.00 -4.23 -1.21 -4.40 115.64 107.63 1t60 s THR 195 Ca 0.52 1.50 0.02 0.00 -1.18 0.00 0.00 61.69 62.56 1t60 s THR 195 Cb -0.10 -4.04 0.01 0.00 1.34 0.00 0.00 72.50 69.71 1t60 s THR 195 CO 0.38 0.52 -0.11 -0.63 -0.54 0.00 0.00 174.62 174.24 1t60 s ILE 196 N -1.15 0.99 0.03 2.99 -1.09 0.16 -4.94 121.20 118.18 1t60 s ILE 196 Ca 0.33 -0.41 -0.24 0.00 -2.23 0.00 0.00 60.65 58.11 1t60 s ILE 196 Cb -0.21 -0.91 -0.05 0.00 -1.58 0.00 0.00 42.46 39.70 1t60 s ILE 196 CO 0.23 0.32 0.72 -1.61 -1.23 0.00 0.00 174.94 173.37 1t60 s GLU 197 N 0.62 4.45 0.24 2.79 0.41 -1.26 -4.76 118.70 121.19 1t60 s GLU 197 Ca -0.12 0.97 -0.06 0.00 -0.41 0.00 0.00 54.97 55.35 1t60 s GLU 197 Cb -0.14 -3.36 0.45 0.00 -1.78 0.00 0.00 34.13 29.30 1t60 s GLU 197 CO 0.03 0.30 1.67 -0.09 -0.49 0.00 0.00 175.26 176.68 1t60 h ARG 198 N 5.67 0.20 0.00 1.61 2.43 -2.00 0.23 114.38 122.52 1t60 h ARG 198 Ca -0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1t60 h ARG 198 Cb 1.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1t60 h ARG 198 CO 0.71 0.13 0.00 -1.13 -1.51 0.00 0.00 179.97 178.17 1t60 n SER 199 N -5.22 0.00 -0.40 -3.80 3.41 -1.26 -2.80 113.62 103.55 1t60 n SER 199 Ca 0.14 -0.97 0.05 0.00 -0.26 0.00 0.00 58.87 57.83 1t60 n SER 199 Cb 0.46 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1t60 n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t60 n GLU 200 N -0.87 0.54 -0.26 4.33 -0.58 0.78 -4.70 120.64 119.88 1t60 n GLU 200 Ca 0.14 -1.15 0.02 0.00 -0.42 0.00 0.00 57.16 55.75 1t60 n GLU 200 Cb 0.06 -1.19 0.15 0.00 -0.57 0.00 0.00 31.44 29.90 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 1.86 0.63 -1.60 3.49 2.86 -1.38 -2.72 114.93 118.08 1t60 h MET 201 Ca 0.00 -0.04 -0.68 0.00 -2.06 0.00 0.00 59.70 56.92 1t60 h MET 201 Cb 0.42 -0.14 -0.34 0.00 0.06 0.00 0.00 31.60 31.61 1t60 h MET 201 CO 0.00 0.42 0.29 1.19 1.06 0.00 0.00 176.91 179.87 1t60 n PHE 202 N -4.84 3.13 -4.19 -0.22 3.01 -1.26 -4.94 117.46 108.15 1t60 n PHE 202 Ca 0.12 -2.66 -0.16 0.00 1.01 0.00 0.00 57.45 55.76 1t60 n PHE 202 Cb 0.29 -0.79 -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 -3.83 0.88 0.15 -1.08 1.02 -1.03 -5.10 119.74 110.75 1t60 s LYS 203 Ca 0.52 -1.12 -0.33 0.00 0.02 0.00 0.00 55.97 55.06 1t60 s LYS 203 Cb 0.43 -0.69 -0.13 0.00 -0.52 0.00 0.00 37.83 36.92 1t60 s LYS 203 CO -0.25 0.13 1.69 1.17 -0.92 0.00 0.00 175.35 177.17 1t60 n LYS 204 N 0.74 2.46 -1.69 1.68 4.81 -1.26 -4.91 118.16 119.99 1t60 n LYS 204 Ca -0.17 0.89 -0.38 0.00 -0.87 0.00 0.00 58.31 57.78 1t60 n LYS 204 Cb 0.57 -2.71 0.06 0.00 0.02 0.00 0.00 35.03 32.97 1t60 n LYS 204 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t60 n PRO 205 N 4.18 1.11 -3.28 1.64 -0.02 -1.26 -4.96 135.00 132.42 1t60 n PRO 205 Ca 0.17 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 1t60 n PRO 205 Cb 0.32 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1t60 n PRO 205 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t60 s THR 206 N -1.42 5.04 0.58 3.45 2.01 -1.26 -5.05 115.64 119.00 1t60 s THR 206 Ca 0.78 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 62.31 1t60 s THR 206 Cb -0.40 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 1t60 s THR 206 CO 0.44 -0.46 1.03 -2.65 -0.69 0.00 0.00 174.62 172.29 1t60 n PRO 207 N 5.72 1.03 -3.66 4.92 -0.02 -1.26 -5.02 135.00 136.70 1t60 n PRO 207 Ca -0.06 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.68 1t60 n PRO 207 Cb 0.47 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.18 -0.65 -0.17 2.55 0.15 -1.26 -5.14 113.70 107.99 1t60 s SER 208 Ca 0.75 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1t60 s SER 208 Cb -0.43 1.27 0.01 0.00 -1.71 0.00 0.00 66.02 65.16 1t60 s SER 208 CO 0.48 -0.22 -0.16 -0.89 1.20 0.00 0.00 173.24 173.65 1t60 s THR 209 N 0.36 2.49 0.03 6.45 2.01 -1.26 -5.12 115.64 120.60 1t60 s THR 209 Ca -0.00 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1t60 s THR 209 Cb -0.04 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 1t60 s THR 209 CO 0.00 0.51 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.63 1t60 s LEU 210 N 1.09 3.24 -0.05 4.42 2.01 -1.26 -5.13 118.68 123.00 1t60 s LEU 210 Ca -0.00 -0.17 0.05 0.00 0.01 0.00 0.00 54.13 54.02 1t60 s LEU 210 Cb -0.14 -1.90 -0.01 0.00 0.01 0.00 0.00 46.19 44.15 1t60 s LEU 210 CO -0.05 0.25 -0.21 -0.54 1.01 0.00 0.00 176.35 176.81 1t60 s LYS 211 N -1.68 2.10 0.00 1.70 -0.14 -1.26 -4.97 119.74 115.48 1t60 s LYS 211 Ca 0.19 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 1t60 s LYS 211 Cb -0.11 -1.81 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 1t60 s LYS 211 CO 0.10 0.32 0.00 0.00 -0.76 0.00 0.00 175.35 175.01 1t60 n ALA 212 N 3.01 -0.16 0.00 5.17 0.00 -1.26 -2.08 120.51 125.20 1t60 n ALA 212 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1t60 n ALA 212 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 2.88 1.80 0.00 0.00 -1.26 -4.73 105.19 103.88 1t60 n GLY 213 Ca 0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 1.82 -0.00 1.61 0.28 -0.88 -4.55 120.64 118.91 1t60 n GLU 214 Ca 0.00 -1.97 -0.00 0.00 -0.16 0.00 0.00 57.16 55.03 1t60 n GLU 214 Cb 0.00 -1.77 -0.00 0.00 1.43 0.00 0.00 31.44 31.10 1t60 n GLU 214 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1t60 n LEU 215 N -0.58 0.07 0.23 -1.84 4.77 -1.26 -4.50 117.00 113.90 1t60 n LEU 215 Ca 0.39 0.25 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 1t60 n LEU 215 Cb 1.27 -0.51 0.74 0.00 -2.33 0.00 0.00 43.42 42.59 1t60 n LEU 215 CO 0.40 -0.50 0.96 0.08 -1.33 0.00 0.00 177.39 177.00 1t60 h ARG 216 N -0.04 0.00 -0.00 3.23 0.11 -1.97 -1.41 114.38 114.30 1t60 h ARG 216 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1t60 h ARG 216 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1t60 h ARG 216 CO 0.00 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.32 1t60 n THR 217 N -2.52 0.00 0.04 0.08 -2.24 -1.26 -2.71 114.28 105.67 1t60 n THR 217 Ca -0.02 -0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1t60 n THR 217 Cb 0.14 -0.31 0.02 0.00 -2.10 0.00 0.00 70.33 68.08 1t60 n THR 217 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t60 n HIS 218 N -0.81 0.05 -4.00 4.78 8.25 -0.53 -4.92 115.22 118.05 1t60 n HIS 218 Ca 0.16 -0.24 -0.36 0.00 -0.26 0.00 0.00 57.72 57.01 1t60 n HIS 218 Cb 0.08 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.60 5.21 0.56 1.59 1.01 -1.10 -3.33 120.40 123.75 1t60 s VAL 219 Ca 0.04 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1t60 s VAL 219 Cb 0.03 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1t60 s VAL 219 CO 0.04 0.61 1.35 -0.55 0.00 0.00 0.00 175.10 176.55 1t60 s SER 220 N -1.00 5.16 0.30 3.32 0.15 -0.11 -4.68 113.70 116.84 1t60 s SER 220 Ca 0.15 2.75 0.06 0.00 0.70 0.00 0.00 55.95 59.61 1t60 s SER 220 Cb -0.12 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1t60 s SER 220 CO 0.04 -1.64 0.40 -0.13 1.20 0.00 0.00 173.24 173.10 1t60 s ARG 221 N -2.98 3.14 0.20 5.44 1.81 -1.06 -1.75 118.95 123.75 1t60 s ARG 221 Ca 0.73 -0.99 -0.10 0.00 -1.72 0.00 0.00 55.73 53.65 1t60 s ARG 221 Cb -0.40 -2.77 -0.01 0.00 -0.45 0.00 0.00 34.95 31.32 1t60 s ARG 221 CO 0.47 0.19 0.36 0.00 -0.68 0.00 0.00 175.30 175.63 1t60 s GLN 223 N -4.00 0.15 -0.19 0.00 0.74 -0.70 -1.48 119.66 114.18 1t60 s GLN 223 Ca 0.21 0.23 -0.13 0.00 0.05 0.00 0.00 55.36 55.72 1t60 s GLN 223 Cb 0.02 0.03 -0.05 0.00 1.10 0.00 0.00 33.01 34.11 1t60 s GLN 223 CO 0.04 -0.05 0.24 0.08 -0.55 0.00 0.00 175.29 175.06 1t60 s VAL 224 N 0.29 5.33 0.17 1.34 1.01 0.11 -1.74 120.40 126.92 1t60 s VAL 224 Ca -0.02 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1t60 s VAL 224 Cb -0.03 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1t60 s VAL 224 CO -0.01 0.38 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 1t60 s MET 226 N -3.03 1.19 0.00 0.00 -2.45 0.72 -0.85 119.30 114.88 1t60 s MET 226 Ca 0.17 -0.40 0.15 0.00 -1.25 0.00 0.00 55.69 54.37 1t60 s MET 226 Cb -0.04 -1.08 0.90 0.00 1.25 0.00 0.00 34.83 35.85 1t60 s MET 226 CO 0.07 0.16 1.31 -2.13 1.05 0.00 0.00 175.02 175.47