#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t61 s PHE 6 N 0.00 3.24 0.09 1.61 0.40 -1.24 -4.96 117.98 117.12 1t61 s PHE 6 Ca 0.00 1.63 0.05 0.00 -0.60 0.00 0.00 56.93 58.02 1t61 s PHE 6 Cb 0.00 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.45 1t61 s PHE 6 CO 0.00 -0.53 -0.13 -0.51 0.70 0.00 0.00 175.22 174.75 1t61 s LEU 7 N -2.89 2.33 -0.01 -0.37 1.43 -1.26 -0.81 118.68 117.11 1t61 s LEU 7 Ca 0.60 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1t61 s LEU 7 Cb -0.18 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.55 1t61 s LEU 7 CO 0.23 -0.12 0.00 0.54 0.23 0.00 0.00 176.35 177.23 1t61 s VAL 8 N -1.69 0.02 -0.08 -1.59 0.11 0.99 -4.88 120.40 113.28 1t61 s VAL 8 Ca 0.02 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1t61 s VAL 8 Cb -0.08 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1t61 s VAL 8 CO 0.02 0.04 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.90 1t61 s THR 9 N 0.34 3.92 0.00 5.04 2.01 -1.16 0.01 115.64 125.81 1t61 s THR 9 Ca -0.03 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1t61 s THR 9 Cb -0.04 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1t61 s THR 9 CO -0.01 0.59 -0.18 -0.60 -0.69 0.00 0.00 174.62 173.73 1t61 s ARG 10 N -0.76 1.41 -0.11 4.92 3.52 0.13 -4.72 118.95 123.34 1t61 s ARG 10 Ca 0.12 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 1t61 s ARG 10 Cb -0.11 -1.40 -0.00 0.00 -1.56 0.00 0.00 34.95 31.87 1t61 s ARG 10 CO 0.02 0.38 -0.20 -1.01 -0.81 0.00 0.00 175.30 173.67 1t61 s HIS 11 N -0.54 2.65 -0.04 5.12 3.76 -1.26 -0.53 115.29 124.45 1t61 s HIS 11 Ca 0.07 -0.92 0.12 0.00 -0.15 0.00 0.00 55.06 54.18 1t61 s HIS 11 Cb -0.07 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.81 1t61 s HIS 11 CO 0.00 -0.35 1.38 0.66 -0.85 0.00 0.00 174.74 175.58 1t61 h SER 12 N 6.74 0.00 -1.65 1.40 4.64 -1.45 -3.45 113.55 119.77 1t61 h SER 12 Ca -0.22 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.75 1t61 h SER 12 Cb 1.23 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.24 1t61 h SER 12 CO 0.50 0.70 -0.38 0.00 -0.87 0.00 0.00 176.83 176.78 1t61 n GLN 13 N -3.28 -1.29 -4.12 4.77 6.02 -1.26 -4.93 117.38 113.29 1t61 n GLN 13 Ca 0.01 0.97 -0.17 0.00 -0.01 0.00 0.00 57.00 57.81 1t61 n GLN 13 Cb 0.82 -5.32 -0.05 0.00 1.02 0.00 0.00 30.24 26.70 1t61 n GLN 13 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1t61 n THR 14 N -3.26 0.00 1.58 5.09 -2.24 -1.26 -4.04 114.28 110.15 1t61 n THR 14 Ca -0.19 -2.07 0.15 0.00 -2.27 0.00 0.00 64.05 59.67 1t61 n THR 14 Cb 0.61 1.16 0.77 0.00 -2.10 0.00 0.00 70.33 70.78 1t61 n THR 14 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t61 n THR 15 N -0.61 0.00 -3.75 4.28 -2.24 -1.26 -2.10 114.28 108.60 1t61 n THR 15 Ca 0.04 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 1t61 n THR 15 Cb 0.60 -0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 1t61 n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t61 s ASP 16 N -2.38 6.49 0.20 3.42 1.01 -1.26 -4.85 116.67 119.30 1t61 s ASP 16 Ca 0.34 0.55 -0.31 0.00 0.71 0.00 0.00 52.55 53.84 1t61 s ASP 16 Cb 0.21 -2.08 -0.10 0.00 1.01 0.00 0.00 42.92 41.96 1t61 s ASP 16 CO 0.44 0.20 1.51 -1.81 0.21 0.00 0.00 175.17 175.71 1t61 s ASP 17 N -1.94 6.62 0.73 0.27 1.01 -1.26 -4.53 116.67 117.57 1t61 s ASP 17 Ca 0.31 2.62 -0.11 0.00 0.71 0.00 0.00 52.55 56.09 1t61 s ASP 17 Cb -0.13 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.22 1t61 s ASP 17 CO 0.19 -0.77 1.07 -2.16 0.21 0.00 0.00 175.17 173.72 1t61 s PRO 18 N 0.50 2.68 0.02 8.23 0.04 -1.26 -5.00 135.00 140.21 1t61 s PRO 18 Ca 0.65 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 1t61 s PRO 18 Cb -0.43 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1t61 s PRO 18 CO 0.36 -1.26 0.12 -1.14 0.04 0.00 0.00 177.00 175.13 1t61 s GLN 19 N -5.07 3.17 0.38 4.56 0.74 -1.26 -4.72 119.66 117.46 1t61 s GLN 19 Ca 0.59 -0.48 -0.27 0.00 0.05 0.00 0.00 55.36 55.24 1t61 s GLN 19 Cb -0.14 -2.91 -0.10 0.00 1.10 0.00 0.00 33.01 30.96 1t61 s GLN 19 CO 0.55 0.63 1.36 0.00 -0.55 0.00 0.00 175.29 177.28 1t61 s PRO 21 N -2.11 0.04 0.27 0.00 0.02 -1.26 -4.86 135.00 127.09 1t61 s PRO 21 Ca 0.54 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.43 1t61 s PRO 21 Cb -0.41 -1.64 -0.11 0.00 0.02 0.00 0.00 34.50 32.36 1t61 s PRO 21 CO 0.54 -3.18 1.55 -2.14 -0.33 0.00 0.00 177.00 173.44 1t61 s PRO 22 N -4.56 4.17 0.00 5.54 0.02 -1.26 -2.26 135.00 136.65 1t61 s PRO 22 Ca 0.67 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.18 1t61 s PRO 22 Cb -0.24 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1t61 s PRO 22 CO 0.61 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 177.12 1t61 n GLY 23 N 2.28 0.74 3.31 0.52 0.00 -1.26 -4.98 105.19 105.81 1t61 n GLY 23 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1t61 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 24 N -2.53 1.70 -0.03 2.61 -4.23 -0.96 -4.32 115.64 107.89 1t61 s THR 24 Ca 0.00 -1.85 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1t61 s THR 24 Cb 0.00 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 1t61 s THR 24 CO 0.00 -0.32 -0.17 -1.59 -0.54 0.00 0.00 174.62 172.00 1t61 s LYS 25 N -2.71 2.37 0.33 3.99 -2.85 -0.47 -4.75 119.74 115.65 1t61 s LYS 25 Ca 0.14 -0.78 -0.28 0.00 -1.00 0.00 0.00 55.97 54.05 1t61 s LYS 25 Cb -0.06 -2.28 -0.10 0.00 -2.06 0.00 0.00 37.83 33.33 1t61 s LYS 25 CO 0.06 0.60 1.23 -1.50 0.10 0.00 0.00 175.35 175.83 1t61 s ILE 26 N -0.73 2.99 -0.12 3.79 1.10 -1.26 -0.23 121.20 126.74 1t61 s ILE 26 Ca 0.12 0.96 -0.07 0.00 -0.51 0.00 0.00 60.65 61.14 1t61 s ILE 26 Cb -0.10 -3.60 -0.05 0.00 0.15 0.00 0.00 42.46 38.86 1t61 s ILE 26 CO 0.01 0.20 -0.18 0.18 -2.11 0.00 0.00 174.94 173.04 1t61 n LEU 27 N 0.74 1.11 -3.61 8.50 4.77 -0.08 -4.86 117.00 123.57 1t61 n LEU 27 Ca 0.01 0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 56.11 1t61 n LEU 27 Cb 0.43 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1t61 n LEU 27 CO 0.56 0.10 0.73 -0.72 -1.33 0.00 0.00 177.39 176.72 1t61 s TYR 28 N -2.30 -0.24 0.22 -1.77 -0.85 -1.21 -5.02 117.35 106.17 1t61 s TYR 28 Ca -0.18 0.04 0.10 0.00 -0.52 0.00 0.00 57.07 56.51 1t61 s TYR 28 Cb 0.06 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 1t61 s TYR 28 CO 0.24 -0.64 -0.15 -1.01 -1.52 0.00 0.00 175.55 172.47 1t61 s HIS 29 N -3.14 2.47 0.00 -3.49 3.76 -1.26 -1.52 115.29 112.11 1t61 s HIS 29 Ca 0.08 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 1t61 s HIS 29 Cb -0.01 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.51 1t61 s HIS 29 CO -0.04 0.57 0.00 0.41 -0.85 0.00 0.00 174.74 174.83 1t61 n GLY 30 N -0.16 2.30 3.72 -2.22 0.00 -0.68 -4.56 105.19 103.59 1t61 n GLY 30 Ca -0.10 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1t61 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 31 N -2.25 3.16 -0.75 1.61 2.02 0.11 -0.64 117.35 120.60 1t61 s TYR 31 Ca 0.00 0.14 -0.26 0.00 -0.37 0.00 0.00 57.07 56.57 1t61 s TYR 31 Cb 0.00 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1t61 s TYR 31 CO 0.00 0.49 1.40 -1.12 -1.57 0.00 0.00 175.55 174.76 1t61 s SER 32 N -1.52 6.03 -0.17 2.29 0.01 -0.47 -1.56 113.70 118.31 1t61 s SER 32 Ca 0.20 -0.43 -0.22 0.00 1.31 0.00 0.00 55.95 56.81 1t61 s SER 32 Cb -0.12 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 1t61 s SER 32 CO 0.10 -1.91 0.66 -0.22 0.41 0.00 0.00 173.24 172.28 1t61 s LEU 33 N 6.28 4.19 -0.18 2.44 2.96 0.23 -1.29 118.68 133.32 1t61 s LEU 33 Ca 0.42 0.94 -0.14 0.00 -0.22 0.00 0.00 54.13 55.12 1t61 s LEU 33 Cb -0.08 -2.96 -0.10 0.00 0.50 0.00 0.00 46.19 43.56 1t61 s LEU 33 CO 0.13 -0.24 -0.06 -0.11 -1.32 0.00 0.00 176.35 174.75 1t61 n LEU 34 N 4.76 1.84 -3.73 -0.68 7.94 0.18 -4.53 117.00 122.79 1t61 n LEU 34 Ca -0.01 0.52 -0.03 0.00 -1.11 0.00 0.00 56.01 55.38 1t61 n LEU 34 Cb 0.50 -0.90 -0.01 0.00 0.53 0.00 0.00 43.42 43.54 1t61 n LEU 34 CO 0.45 -0.13 0.75 -0.72 -1.11 0.00 0.00 177.39 176.63 1t61 s TYR 35 N -2.34 -0.13 0.26 1.96 1.13 -1.07 -2.33 117.35 114.83 1t61 s TYR 35 Ca -0.22 -0.15 0.06 0.00 -1.41 0.00 0.00 57.07 55.36 1t61 s TYR 35 Cb 0.04 0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 41.48 1t61 s TYR 35 CO 0.38 -0.77 -0.07 0.14 -2.51 0.00 0.00 175.55 172.73 1t61 s VAL 36 N -3.20 1.59 -0.09 -3.49 -7.23 -0.34 -0.15 120.40 107.48 1t61 s VAL 36 Ca 0.12 -2.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.13 1t61 s VAL 36 Cb -0.01 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.63 1t61 s VAL 36 CO 0.01 -0.37 0.08 -1.58 -0.31 0.00 0.00 175.10 172.93 1t61 s GLN 37 N -3.73 -0.02 -0.06 4.82 0.74 -0.73 -0.80 119.66 119.88 1t61 s GLN 37 Ca 0.28 0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.94 1t61 s GLN 37 Cb 0.03 -0.97 0.00 0.00 1.10 0.00 0.00 33.01 33.17 1t61 s GLN 37 CO 0.10 -0.45 -0.16 0.20 -0.55 0.00 0.00 175.29 174.43 1t61 s GLY 38 N 2.17 0.91 -1.47 2.59 0.00 -0.30 -1.49 107.32 109.73 1t61 s GLY 38 Ca 0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 44.72 44.03 1t61 s GLY 38 CO -0.05 -0.17 1.00 -2.01 0.00 0.00 0.00 173.10 171.86 1t61 n ASN 39 N 3.43 -5.36 0.00 1.64 4.05 -1.26 -1.52 115.26 116.24 1t61 n ASN 39 Ca -0.20 -0.65 0.00 0.00 0.45 0.00 0.00 54.58 54.18 1t61 n ASN 39 Cb 0.53 -4.26 0.00 0.00 1.23 0.00 0.00 39.78 37.27 1t61 n ASN 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1t61 n GLU 40 N -4.70 -0.55 -4.70 1.20 -0.58 -1.26 -5.00 120.64 105.04 1t61 n GLU 40 Ca 0.02 0.14 -0.33 0.00 -0.42 0.00 0.00 57.16 56.57 1t61 n GLU 40 Cb 0.54 -3.69 -0.13 0.00 -0.57 0.00 0.00 31.44 27.59 1t61 n GLU 40 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1t61 s ARG 41 N -0.71 3.25 0.24 3.49 1.81 -0.58 -4.99 118.95 121.47 1t61 s ARG 41 Ca 0.00 -0.64 -0.15 0.00 -1.72 0.00 0.00 55.73 53.22 1t61 s ARG 41 Cb 0.00 -2.65 -0.08 0.00 -0.45 0.00 0.00 34.95 31.77 1t61 s ARG 41 CO 0.00 0.33 0.66 0.00 -0.68 0.00 0.00 175.30 175.60 1t61 s ALA 42 N 0.08 3.45 -0.15 2.13 0.00 -1.26 -1.15 121.76 124.86 1t61 s ALA 42 Ca -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 1t61 s ALA 42 Cb -0.14 -2.67 0.07 0.00 0.00 0.00 0.00 23.12 20.38 1t61 s ALA 42 CO 0.04 0.39 0.27 -1.58 0.00 0.00 0.00 175.76 174.88 1t61 s HIS 43 N -1.71 -0.44 0.50 0.00 2.46 0.02 -4.92 115.29 111.20 1t61 s HIS 43 Ca 0.46 0.91 0.08 0.00 0.47 0.00 0.00 55.06 56.98 1t61 s HIS 43 Cb -0.13 -0.06 0.04 0.00 -0.13 0.00 0.00 32.58 32.30 1t61 s HIS 43 CO 0.19 -0.40 0.62 0.20 -2.47 0.00 0.00 174.74 172.89 1t61 s GLY 44 N 2.42 1.92 -0.11 1.59 0.00 -1.26 -1.20 107.32 110.68 1t61 s GLY 44 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.88 1t61 s GLY 44 CO -0.09 -1.65 -0.09 1.20 0.00 0.00 0.00 173.10 172.47 1t61 s GLN 45 N -4.45 1.63 0.08 2.90 -1.52 -0.98 -4.97 119.66 112.35 1t61 s GLN 45 Ca 0.55 -0.31 -0.34 0.00 -1.95 0.00 0.00 55.36 53.30 1t61 s GLN 45 Cb -0.06 -1.61 -0.14 0.00 -0.22 0.00 0.00 33.01 30.98 1t61 s GLN 45 CO 0.34 -0.21 1.64 -3.47 -0.25 0.00 0.00 175.29 173.33 1t61 n ASP 46 N 4.72 3.04 0.10 5.90 2.03 -1.26 -4.66 116.55 126.43 1t61 n ASP 46 Ca -0.15 1.06 0.08 0.00 0.52 0.00 0.00 54.79 56.30 1t61 n ASP 46 Cb 0.50 -1.39 0.39 0.00 -0.72 0.00 0.00 41.12 39.91 1t61 n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1t61 n LEU 47 N 4.17 0.38 -0.39 -2.67 4.77 -1.26 -1.10 117.00 120.90 1t61 n LEU 47 Ca 0.19 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.96 1t61 n LEU 47 Cb 0.28 -0.70 0.38 0.00 -2.33 0.00 0.00 43.42 41.05 1t61 n LEU 47 CO 0.66 -0.76 0.70 0.61 -1.33 0.00 0.00 177.39 177.27 1t61 n GLY 48 N -1.23 -0.25 3.73 -0.72 0.00 -1.26 -4.44 105.19 101.02 1t61 n GLY 48 Ca -0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1t61 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 49 N -2.30 3.93 0.55 2.61 -4.23 -0.26 -2.96 115.64 112.98 1t61 s THR 49 Ca 0.29 -1.61 0.42 0.00 -1.18 0.00 0.00 61.69 59.61 1t61 s THR 49 Cb 0.20 -3.09 0.44 0.00 1.34 0.00 0.00 72.50 71.38 1t61 s THR 49 CO 0.45 -0.32 2.29 0.00 -0.54 0.00 0.00 174.62 176.50 1t61 h ALA 50 N 1.85 1.01 0.00 3.99 0.00 -1.91 -2.03 119.26 122.17 1t61 h ALA 50 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t61 h ALA 50 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1t61 h ALA 50 CO 0.60 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.63 1t61 h GLY 51 N 0.43 0.00 -1.45 0.00 0.00 -1.95 -0.57 103.07 99.53 1t61 h GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t61 h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 52 N -2.84 2.32 -3.87 0.19 3.41 -0.76 -4.70 113.62 107.37 1t61 n SER 52 Ca -0.01 -1.88 -0.30 0.00 -0.26 0.00 0.00 58.87 56.41 1t61 n SER 52 Cb 0.16 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 63.74 1t61 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 54 N 1.29 3.72 0.42 0.00 1.43 -0.60 -4.82 118.68 120.12 1t61 s LEU 54 Ca 0.10 0.04 0.11 0.00 -1.03 0.00 0.00 54.13 53.35 1t61 s LEU 54 Cb -0.18 -1.94 0.89 0.00 0.03 0.00 0.00 46.19 45.00 1t61 s LEU 54 CO -0.17 0.17 1.98 0.03 0.23 0.00 0.00 176.35 178.59 1t61 h ARG 55 N 6.74 0.23 -5.34 1.70 3.08 -1.87 0.31 114.38 119.22 1t61 h ARG 55 Ca -0.36 -0.04 -0.66 0.00 0.07 0.00 0.00 59.98 58.99 1t61 h ARG 55 Cb 1.17 -0.04 -0.29 0.00 0.08 0.00 0.00 29.97 30.89 1t61 h ARG 55 CO 0.69 0.30 -0.80 0.15 -1.07 0.00 0.00 179.97 179.23 1t61 s LYS 56 N -4.91 3.26 0.24 0.04 1.02 -1.26 -4.68 119.74 113.45 1t61 s LYS 56 Ca -0.06 -0.75 -0.03 0.00 0.02 0.00 0.00 55.97 55.16 1t61 s LYS 56 Cb 0.16 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 1t61 s LYS 56 CO 0.72 0.21 0.46 0.12 -0.92 0.00 0.00 175.35 175.94 1t61 s PHE 57 N 0.33 3.48 -0.25 3.18 2.19 -1.26 -4.95 117.98 120.69 1t61 s PHE 57 Ca -0.13 0.48 -0.27 0.00 0.33 0.00 0.00 56.93 57.34 1t61 s PHE 57 Cb -0.17 -1.97 0.15 0.00 -1.31 0.00 0.00 43.02 39.72 1t61 s PHE 57 CO 0.07 0.29 1.14 0.45 1.83 0.00 0.00 175.22 179.00 1t61 s SER 58 N -3.13 -0.30 0.49 6.13 0.15 -1.26 -5.00 113.70 110.78 1t61 s SER 58 Ca 0.41 0.49 0.33 0.00 0.70 0.00 0.00 55.95 57.88 1t61 s SER 58 Cb -0.11 0.47 1.46 0.00 -1.71 0.00 0.00 66.02 66.13 1t61 s SER 58 CO 0.29 -0.17 1.97 0.71 1.20 0.00 0.00 173.24 177.25 1t61 h THR 59 N 3.03 0.00 -2.74 6.45 1.35 -1.94 -3.32 112.91 115.74 1t61 h THR 59 Ca -0.23 -0.33 -0.60 0.00 -0.55 0.00 0.00 66.41 64.70 1t61 h THR 59 Cb 1.18 1.24 -0.39 0.00 -1.73 0.00 0.00 68.15 68.44 1t61 h THR 59 CO 0.19 0.00 -0.81 -0.32 -0.25 0.00 0.00 175.52 174.33 1t61 s MET 60 N -3.67 1.14 0.00 4.72 -2.45 -1.26 -4.11 119.30 113.67 1t61 s MET 60 Ca 0.01 -2.03 0.21 0.00 -1.25 0.00 0.00 55.69 52.63 1t61 s MET 60 Cb 0.10 -1.97 1.08 0.00 1.25 0.00 0.00 34.83 35.28 1t61 s MET 60 CO 0.47 -1.25 1.71 -0.35 1.05 0.00 0.00 175.02 176.65 1t61 n PRO 61 N 3.30 1.21 -4.20 4.11 -0.04 -1.25 -4.90 135.00 133.23 1t61 n PRO 61 Ca 0.16 -0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1t61 n PRO 61 Cb 0.39 -1.34 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1t61 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 62 N -1.95 1.20 0.21 0.54 -0.71 -1.26 -5.10 117.98 110.91 1t61 s PHE 62 Ca 0.31 -1.38 -0.03 0.00 -1.04 0.00 0.00 56.93 54.79 1t61 s PHE 62 Cb 0.15 -0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 1t61 s PHE 62 CO 0.24 -0.72 0.18 -0.48 -1.34 0.00 0.00 175.22 173.11 1t61 s LEU 63 N -3.19 1.03 0.07 -1.99 0.05 -1.26 -4.52 118.68 108.86 1t61 s LEU 63 Ca 0.38 -1.32 0.04 0.00 0.05 0.00 0.00 54.13 53.28 1t61 s LEU 63 Cb 0.05 0.59 -0.03 0.00 -2.05 0.00 0.00 46.19 44.75 1t61 s LEU 63 CO 0.15 -0.88 -0.11 0.72 -0.55 0.00 0.00 176.35 175.68 1t61 s PHE 64 N -4.14 0.96 0.14 3.48 -0.12 -0.83 -4.98 117.98 112.50 1t61 s PHE 64 Ca 0.36 -0.52 0.07 0.00 -0.05 0.00 0.00 56.93 56.79 1t61 s PHE 64 Cb 0.06 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 1t61 s PHE 64 CO 0.12 -0.01 -0.17 0.00 -0.05 0.00 0.00 175.22 175.10 1t61 s ASN 66 N -2.53 4.23 0.00 0.00 2.20 -0.44 -4.98 114.94 113.42 1t61 s ASN 66 Ca 0.12 -1.30 0.11 0.00 -0.94 0.00 0.00 52.86 50.85 1t61 s ASN 66 Cb -0.06 -0.14 0.56 0.00 -2.00 0.00 0.00 41.25 39.61 1t61 s ASN 66 CO 0.05 -0.65 1.28 2.30 -2.94 0.00 0.00 177.10 177.14 1t61 n ILE 67 N -1.23 0.79 0.27 0.54 -5.35 -1.26 -1.39 119.36 111.73 1t61 n ILE 67 Ca -0.06 0.20 0.08 0.00 -0.27 0.00 0.00 62.75 62.69 1t61 n ILE 67 Cb 0.66 -1.01 0.23 0.00 -1.74 0.00 0.00 39.64 37.78 1t61 n ILE 67 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1t61 n ASN 68 N -1.32 2.96 -3.23 7.28 3.02 -1.26 -4.92 115.26 117.79 1t61 n ASN 68 Ca 0.05 -2.09 -0.20 0.00 -0.03 0.00 0.00 54.58 52.31 1t61 n ASN 68 Cb 0.10 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 1t61 n ASN 68 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1t61 n ASN 69 N 0.91 -4.88 -4.07 6.41 3.02 -0.49 -5.02 115.26 111.15 1t61 n ASN 69 Ca 0.17 -0.50 -0.27 0.00 -0.03 0.00 0.00 54.58 53.96 1t61 n ASN 69 Cb 0.50 -4.55 -0.17 0.00 -0.61 0.00 0.00 39.78 34.95 1t61 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1t61 s VAL 70 N -3.29 1.40 0.03 2.41 1.01 -1.25 -4.97 120.40 115.73 1t61 s VAL 70 Ca 0.38 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1t61 s VAL 70 Cb -0.17 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1t61 s VAL 70 CO 0.65 0.42 -0.10 0.00 0.00 0.00 0.00 175.10 176.07 1t61 s ASN 72 N -1.54 2.39 -0.16 0.00 0.01 0.98 -4.98 114.94 111.65 1t61 s ASN 72 Ca 0.17 -0.42 -0.01 0.00 -0.71 0.00 0.00 52.86 51.89 1t61 s ASN 72 Cb -0.11 -1.08 -0.01 0.00 0.41 0.00 0.00 41.25 40.46 1t61 s ASN 72 CO 0.08 0.04 -0.12 0.12 -1.51 0.00 0.00 177.10 175.71 1t61 s PHE 73 N 0.83 2.83 -1.35 2.20 5.36 -1.26 -1.96 117.98 124.62 1t61 s PHE 73 Ca -0.10 -0.90 -0.09 0.00 -0.96 0.00 0.00 56.93 54.88 1t61 s PHE 73 Cb -0.16 -1.92 0.07 0.00 -0.34 0.00 0.00 43.02 40.67 1t61 s PHE 73 CO 0.01 -0.41 0.55 0.00 -1.46 0.00 0.00 175.22 173.92 1t61 n ALA 74 N 4.04 -1.07 -1.55 11.12 0.00 -1.26 -4.87 120.51 126.92 1t61 n ALA 74 Ca -0.19 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1t61 n ALA 74 Cb 0.52 -3.07 0.20 0.00 0.00 0.00 0.00 19.45 17.10 1t61 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t61 n SER 75 N -2.37 1.78 0.00 0.00 7.64 -1.26 -4.85 113.62 114.56 1t61 n SER 75 Ca -0.02 -3.83 0.00 0.00 1.01 0.00 0.00 58.87 56.03 1t61 n SER 75 Cb 0.55 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1t61 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t61 n ARG 76 N -1.15 0.00 -2.88 1.43 0.63 -1.26 -5.09 116.66 108.34 1t61 n ARG 76 Ca 0.19 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.00 1t61 n ARG 76 Cb 0.69 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.63 1t61 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t61 n ASN 77 N 0.00 -0.14 -4.99 6.15 5.03 -1.26 -4.95 115.26 115.09 1t61 n ASN 77 Ca 0.00 -3.01 -0.19 0.00 0.87 0.00 0.00 54.58 52.25 1t61 n ASN 77 Cb 0.00 0.22 0.01 0.00 -1.02 0.00 0.00 39.78 39.00 1t61 n ASN 77 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1t61 s ASP 78 N -2.16 5.63 0.23 6.41 -0.00 -1.26 -4.88 116.67 120.64 1t61 s ASP 78 Ca 0.30 -0.23 0.06 0.00 -0.00 0.00 0.00 52.55 52.68 1t61 s ASP 78 Cb 0.37 -0.87 -0.05 0.00 -0.00 0.00 0.00 42.92 42.37 1t61 s ASP 78 CO -0.04 -0.80 -0.07 -0.31 -0.00 0.00 0.00 175.17 173.95 1t61 s TYR 79 N -2.44 1.71 -0.03 4.23 1.51 -0.55 -1.20 117.35 120.57 1t61 s TYR 79 Ca 0.53 -0.74 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1t61 s TYR 79 Cb -0.10 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.83 1t61 s TYR 79 CO 0.34 0.19 0.11 -1.54 -1.11 0.00 0.00 175.55 173.54 1t61 s SER 80 N -3.35 -0.08 -0.04 2.29 1.04 -0.57 -1.77 113.70 111.22 1t61 s SER 80 Ca 0.26 0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.88 1t61 s SER 80 Cb 0.03 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 1t61 s SER 80 CO 0.09 -0.09 -0.17 -0.31 0.98 0.00 0.00 173.24 173.73 1t61 s TYR 81 N -0.19 1.69 0.07 5.02 2.02 0.78 -0.48 117.35 126.26 1t61 s TYR 81 Ca -0.03 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.27 1t61 s TYR 81 Cb -0.02 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 1t61 s TYR 81 CO 0.00 -0.14 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.13 1t61 s TRP 82 N -0.06 1.13 0.44 2.71 0.52 -0.89 -0.65 118.94 122.15 1t61 s TRP 82 Ca -0.02 -0.46 -0.25 0.00 0.02 0.00 0.00 56.10 55.40 1t61 s TRP 82 Cb -0.11 -0.64 -0.08 0.00 -1.15 0.00 0.00 33.47 31.49 1t61 s TRP 82 CO 0.02 0.04 1.31 -0.51 0.02 0.00 0.00 176.95 177.82 1t61 s LEU 83 N -1.69 4.11 0.45 2.99 1.43 -0.41 -0.73 118.68 124.82 1t61 s LEU 83 Ca -0.03 2.66 0.06 0.00 -1.03 0.00 0.00 54.13 55.80 1t61 s LEU 83 Cb -0.10 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 1t61 s LEU 83 CO 0.02 -1.03 0.23 -0.94 0.23 0.00 0.00 176.35 174.86 1t61 s SER 84 N -0.83 4.51 0.58 2.29 1.04 0.32 -1.04 113.70 120.58 1t61 s SER 84 Ca 0.61 -1.13 0.10 0.00 0.48 0.00 0.00 55.95 56.00 1t61 s SER 84 Cb -0.38 -0.22 0.09 0.00 0.10 0.00 0.00 66.02 65.61 1t61 s SER 84 CO 0.48 -0.70 0.78 0.42 0.98 0.00 0.00 173.24 175.20 1t61 s THR 85 N -2.65 2.04 -2.00 2.02 -4.23 -0.34 -4.51 115.64 105.97 1t61 s THR 85 Ca 0.37 -1.04 0.07 0.00 -1.18 0.00 0.00 61.69 59.92 1t61 s THR 85 Cb 0.02 -2.08 0.20 0.00 1.34 0.00 0.00 72.50 71.98 1t61 s THR 85 CO 0.21 0.00 1.26 -0.81 -0.54 0.00 0.00 174.62 174.75 1t61 n PRO 86 N -2.24 1.02 -1.68 3.99 -0.04 -1.26 -4.85 135.00 129.95 1t61 n PRO 86 Ca 0.15 -0.03 -0.51 0.00 -0.04 0.00 0.00 63.50 63.06 1t61 n PRO 86 Cb 0.62 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 1t61 n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t61 n GLU 87 N -0.58 1.72 -1.96 0.54 4.07 -1.26 -4.88 120.64 118.29 1t61 n GLU 87 Ca 0.05 0.63 -0.36 0.00 -0.06 0.00 0.00 57.16 57.42 1t61 n GLU 87 Cb 0.03 -2.38 0.04 0.00 -0.06 0.00 0.00 31.44 29.07 1t61 n GLU 87 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1t61 s PRO 88 N 2.91 2.90 0.32 5.31 0.04 -1.26 -4.95 135.00 140.28 1t61 s PRO 88 Ca 0.91 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 63.51 1t61 s PRO 88 Cb -0.84 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 31.67 1t61 s PRO 88 CO 0.53 -1.27 1.46 1.41 0.04 0.00 0.00 177.00 179.18 1t61 s MET 89 N -3.36 4.20 0.51 4.56 -2.45 -1.26 -4.91 119.30 116.58 1t61 s MET 89 Ca 0.78 2.45 -0.20 0.00 -1.25 0.00 0.00 55.69 57.46 1t61 s MET 89 Cb -0.31 -3.03 -0.09 0.00 1.25 0.00 0.00 34.83 32.65 1t61 s MET 89 CO 0.34 -0.46 0.73 -2.30 1.05 0.00 0.00 175.02 174.38 1t61 n PRO 90 N 1.27 0.80 -0.20 4.11 -0.02 -1.26 -4.88 135.00 134.82 1t61 n PRO 90 Ca 0.03 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.81 1t61 n PRO 90 Cb 0.40 -1.83 0.23 0.00 -0.02 0.00 0.00 33.50 32.27 1t61 n PRO 90 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t61 h MET 91 N 0.70 0.95 0.00 -0.52 2.86 -1.96 -1.34 114.93 115.63 1t61 h MET 91 Ca -0.45 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.06 1t61 h MET 91 Cb 1.38 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1t61 h MET 91 CO 0.51 0.69 -0.18 0.66 1.06 0.00 0.00 176.91 179.65 1t61 h SER 92 N 0.97 0.00 -0.29 1.22 4.64 -2.03 -3.46 113.55 114.60 1t61 h SER 92 Ca 0.25 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1t61 h SER 92 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1t61 h SER 92 CO -0.04 0.18 -0.11 0.23 -0.87 0.00 0.00 176.83 176.21 1t61 n MET 93 N -3.43 -0.93 -3.36 4.77 0.00 -0.51 -5.00 117.12 108.66 1t61 n MET 93 Ca -0.00 0.61 -0.25 0.00 0.00 0.00 0.00 57.70 58.06 1t61 n MET 93 Cb 0.36 -4.51 -0.01 0.00 0.00 0.00 0.00 33.22 29.05 1t61 n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t61 s ALA 94 N -1.97 3.68 0.49 3.04 0.00 -1.26 -4.99 121.76 120.75 1t61 s ALA 94 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 1t61 s ALA 94 Cb 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 1t61 s ALA 94 CO 0.00 0.02 1.03 -2.30 0.00 0.00 0.00 175.76 174.51 1t61 n PRO 95 N -1.65 1.27 -3.56 0.00 -0.02 -1.26 -4.84 135.00 124.94 1t61 n PRO 95 Ca -0.04 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1t61 n PRO 95 Cb 0.56 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1t61 n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t61 s ILE 96 N -1.36 5.07 0.07 4.25 1.09 0.13 -4.86 121.20 125.59 1t61 s ILE 96 Ca 0.68 0.40 -0.01 0.00 -1.10 0.00 0.00 60.65 60.62 1t61 s ILE 96 Cb -0.49 -3.64 -0.04 0.00 -1.06 0.00 0.00 42.46 37.22 1t61 s ILE 96 CO 0.53 0.19 -0.02 0.42 -0.10 0.00 0.00 174.94 175.97 1t61 s THR 97 N -1.51 0.27 0.00 2.92 -4.23 -1.26 -1.40 115.64 110.43 1t61 s THR 97 Ca 0.37 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1t61 s THR 97 Cb -0.13 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1t61 s THR 97 CO 0.20 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 1t61 n GLY 98 N 0.04 2.78 0.30 3.99 0.00 -1.26 -2.25 105.19 108.79 1t61 n GLY 98 Ca -0.12 -0.22 0.16 0.00 0.00 0.00 0.00 46.02 45.84 1t61 n GLY 98 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t61 h GLU 99 N 0.00 0.00 0.00 1.61 4.39 -1.99 -2.07 114.58 116.52 1t61 h GLU 99 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t61 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t61 h GLU 99 CO 0.00 0.01 0.00 0.09 -1.16 0.00 0.00 179.01 177.95 1t61 n ASN 100 N -3.70 0.34 0.09 1.42 3.02 -0.95 -2.68 115.26 112.79 1t61 n ASN 100 Ca -0.03 0.59 -0.16 0.00 -0.03 0.00 0.00 54.58 54.96 1t61 n ASN 100 Cb 0.10 -0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 38.51 1t61 n ASN 100 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1t61 h ILE 101 N 0.00 1.42 -0.83 2.41 2.04 -1.47 -3.37 117.51 117.71 1t61 h ILE 101 Ca 0.00 -2.67 0.21 0.00 1.00 0.00 0.00 64.86 63.39 1t61 h ILE 101 Cb 0.27 2.65 -0.14 0.00 -0.74 0.00 0.00 36.82 38.86 1t61 h ILE 101 CO 0.00 0.79 0.13 -0.09 0.00 0.00 0.00 178.15 178.98 1t61 h ARG 102 N 0.18 0.16 0.00 2.37 2.43 -1.69 0.15 114.38 117.98 1t61 h ARG 102 Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1t61 h ARG 102 Cb 1.77 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1t61 h ARG 102 CO 0.19 0.10 0.00 -1.35 -1.51 0.00 0.00 179.97 177.41 1t61 h PRO 103 N 0.16 0.00 0.00 0.20 0.11 -1.79 -2.42 132.00 128.26 1t61 h PRO 103 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1t61 h PRO 103 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1t61 h PRO 103 CO -0.67 0.00 -1.00 1.19 -0.21 0.00 0.00 178.00 177.32 1t61 n PHE 104 N -2.50 0.28 -3.23 0.65 3.01 0.04 -4.57 117.46 111.14 1t61 n PHE 104 Ca -0.02 0.08 -0.39 0.00 1.01 0.00 0.00 57.45 58.13 1t61 n PHE 104 Cb 0.05 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.01 1t61 n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1t61 s ILE 105 N -3.19 5.10 0.57 4.37 -1.09 -0.91 -1.20 121.20 124.85 1t61 s ILE 105 Ca 0.04 1.01 -0.19 0.00 -2.23 0.00 0.00 60.65 59.28 1t61 s ILE 105 Cb 0.14 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1t61 s ILE 105 CO 0.80 0.19 1.18 -0.55 -1.23 0.00 0.00 174.94 175.33 1t61 s SER 106 N 1.07 5.41 0.30 3.58 0.15 -0.20 -4.51 113.70 119.49 1t61 s SER 106 Ca 0.26 2.32 0.07 0.00 0.70 0.00 0.00 55.95 59.29 1t61 s SER 106 Cb -0.15 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t61 s SER 106 CO 0.10 -1.44 0.28 -0.13 1.20 0.00 0.00 173.24 173.25 1t61 s ARG 107 N -3.29 2.90 0.18 5.44 1.81 -0.89 -1.36 118.95 123.74 1t61 s ARG 107 Ca 0.75 -1.13 -0.04 0.00 -1.72 0.00 0.00 55.73 53.59 1t61 s ARG 107 Cb -0.28 -2.58 -0.03 0.00 -0.45 0.00 0.00 34.95 31.61 1t61 s ARG 107 CO 0.31 0.23 0.18 0.00 -0.68 0.00 0.00 175.30 175.34 1t61 s ALA 109 N -4.08 0.07 -0.26 0.00 0.00 0.31 -1.68 121.76 116.12 1t61 s ALA 109 Ca 0.29 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 1t61 s ALA 109 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1t61 s ALA 109 CO 0.07 -0.08 0.14 0.08 0.00 0.00 0.00 175.76 175.96 1t61 s VAL 110 N 0.85 4.87 0.07 0.00 1.01 -0.57 -0.69 120.40 125.94 1t61 s VAL 110 Ca -0.07 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1t61 s VAL 110 Cb -0.10 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1t61 s VAL 110 CO -0.02 0.29 -0.24 0.00 0.00 0.00 0.00 175.10 175.13 1t61 s GLU 112 N -1.61 4.15 0.11 0.00 2.12 0.68 -0.01 118.70 124.13 1t61 s GLU 112 Ca 0.14 -0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.46 1t61 s GLU 112 Cb -0.10 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1t61 s GLU 112 CO 0.05 0.09 -0.02 0.00 -0.54 0.00 0.00 175.26 174.84 1t61 s ALA 113 N 0.95 3.22 -0.33 6.30 0.00 0.01 -1.37 121.76 130.55 1t61 s ALA 113 Ca 0.12 -1.19 0.27 0.00 0.00 0.00 0.00 51.96 51.17 1t61 s ALA 113 Cb -0.13 -1.10 1.00 0.00 0.00 0.00 0.00 23.12 22.88 1t61 s ALA 113 CO 0.05 0.65 1.80 -1.00 0.00 0.00 0.00 175.76 177.25 1t61 h PRO 114 N 3.30 0.00 -4.22 0.00 0.13 -1.86 -3.28 132.00 126.09 1t61 h PRO 114 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 1t61 h PRO 114 Cb 1.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1t61 h PRO 114 CO 0.58 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 178.02 1t61 s ALA 115 N -3.38 0.73 0.58 -0.56 0.00 -1.26 -4.90 121.76 112.96 1t61 s ALA 115 Ca 0.05 -1.45 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 1t61 s ALA 115 Cb 0.09 1.24 -0.04 0.00 0.00 0.00 0.00 23.12 24.41 1t61 s ALA 115 CO 0.51 -0.74 1.22 1.41 0.00 0.00 0.00 175.76 178.17 1t61 s MET 116 N -3.70 3.02 0.16 0.00 1.75 -1.26 -4.76 119.30 114.52 1t61 s MET 116 Ca 0.32 1.87 0.11 0.00 -1.25 0.00 0.00 55.69 56.74 1t61 s MET 116 Cb 0.02 -1.98 -0.04 0.00 2.84 0.00 0.00 34.83 35.66 1t61 s MET 116 CO 0.15 -1.17 -0.25 0.08 -0.65 0.00 0.00 175.02 173.18 1t61 s VAL 117 N -1.55 2.26 0.27 10.11 1.01 -1.26 -2.01 120.40 129.23 1t61 s VAL 117 Ca 0.76 -1.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 1t61 s VAL 117 Cb -0.31 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.05 1t61 s VAL 117 CO 0.35 -0.04 0.66 0.00 0.00 0.00 0.00 175.10 176.07 1t61 s MET 118 N -2.39 1.71 0.09 2.72 0.23 -0.39 -4.85 119.30 116.41 1t61 s MET 118 Ca 0.17 -1.02 0.10 0.00 -1.03 0.00 0.00 55.69 53.91 1t61 s MET 118 Cb -0.09 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 33.76 1t61 s MET 118 CO 0.08 -0.77 -0.24 0.00 -2.03 0.00 0.00 175.02 172.06 1t61 s ALA 119 N -3.93 2.42 0.05 3.16 0.00 -0.55 -0.18 121.76 122.72 1t61 s ALA 119 Ca 0.13 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.79 1t61 s ALA 119 Cb -0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1t61 s ALA 119 CO 0.06 0.55 -0.17 0.14 0.00 0.00 0.00 175.76 176.35 1t61 s VAL 120 N -0.98 1.33 -0.02 0.00 -7.23 -0.49 -4.48 120.40 108.54 1t61 s VAL 120 Ca 0.14 -1.17 0.08 0.00 -1.81 0.00 0.00 61.98 59.22 1t61 s VAL 120 Cb -0.10 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 1t61 s VAL 120 CO 0.05 0.01 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.61 1t61 s HIS 121 N -0.94 2.24 -0.04 2.82 3.76 -1.26 -1.56 115.29 120.31 1t61 s HIS 121 Ca 0.03 -0.43 0.13 0.00 -0.15 0.00 0.00 55.06 54.64 1t61 s HIS 121 Cb -0.09 -1.44 -0.18 0.00 1.11 0.00 0.00 32.58 31.98 1t61 s HIS 121 CO 0.02 -0.04 0.88 0.66 -0.85 0.00 0.00 174.74 175.41 1t61 h SER 122 N 5.53 0.00 -2.50 1.40 4.64 -1.44 -3.48 113.55 117.70 1t61 h SER 122 Ca -0.42 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.54 1t61 h SER 122 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1t61 h SER 122 CO 0.47 0.86 -0.46 0.00 -0.87 0.00 0.00 176.83 176.84 1t61 n GLN 123 N -3.08 -1.42 -4.07 4.77 6.02 -1.26 -4.94 117.38 113.39 1t61 n GLN 123 Ca -0.10 0.88 -0.11 0.00 -0.01 0.00 0.00 57.00 57.65 1t61 n GLN 123 Cb 0.96 -5.37 -0.06 0.00 1.02 0.00 0.00 30.24 26.79 1t61 n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t61 s THR 124 N -2.89 0.00 -1.94 5.09 -4.23 -1.26 -0.58 115.64 109.83 1t61 s THR 124 Ca 0.00 -1.60 0.32 0.00 -1.18 0.00 0.00 61.69 59.22 1t61 s THR 124 Cb 0.00 -2.40 0.86 0.00 1.34 0.00 0.00 72.50 72.30 1t61 s THR 124 CO 0.00 0.00 2.20 2.30 -0.54 0.00 0.00 174.62 178.58 1t61 n ILE 125 N -0.41 0.00 -3.46 2.99 -5.35 -1.26 -2.20 119.36 109.66 1t61 n ILE 125 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1t61 n ILE 125 Cb 0.63 -0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 37.97 1t61 n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1t61 s GLN 126 N -2.06 3.85 0.03 6.28 1.11 -1.26 -4.82 119.66 122.80 1t61 s GLN 126 Ca 0.46 0.31 -0.30 0.00 0.01 0.00 0.00 55.36 55.84 1t61 s GLN 126 Cb 0.22 -2.92 -0.05 0.00 -1.01 0.00 0.00 33.01 29.25 1t61 s GLN 126 CO 0.38 0.49 1.20 0.42 0.01 0.00 0.00 175.29 177.78 1t61 s ILE 127 N -1.49 4.10 0.35 1.08 1.01 -1.26 -4.41 121.20 120.58 1t61 s ILE 127 Ca 0.37 1.50 -0.26 0.00 0.00 0.00 0.00 60.65 62.25 1t61 s ILE 127 Cb -0.14 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 1t61 s ILE 127 CO 0.19 0.09 1.09 -2.16 0.00 0.00 0.00 174.94 174.15 1t61 s PRO 128 N 1.37 4.34 0.58 2.79 0.04 -1.26 -5.01 135.00 137.85 1t61 s PRO 128 Ca 0.58 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 1t61 s PRO 128 Cb -0.28 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1t61 s PRO 128 CO 0.27 -0.03 1.04 -0.65 0.04 0.00 0.00 177.00 177.67 1t61 s GLN 129 N -2.03 3.47 0.49 4.56 -0.21 -1.26 -4.59 119.66 120.09 1t61 s GLN 129 Ca 0.52 1.11 -0.21 0.00 0.02 0.00 0.00 55.36 56.81 1t61 s GLN 129 Cb -0.28 -2.06 -0.08 0.00 1.00 0.00 0.00 33.01 31.59 1t61 s GLN 129 CO 0.35 -0.68 1.06 0.00 -2.12 0.00 0.00 175.29 173.90 1t61 n PRO 131 N -0.93 0.65 -1.67 0.00 -0.02 -1.26 -4.81 135.00 126.96 1t61 n PRO 131 Ca 0.09 0.28 -0.46 0.00 -2.02 0.00 0.00 63.50 61.40 1t61 n PRO 131 Cb 0.52 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1t61 n PRO 131 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1t61 n THR 132 N -2.43 0.02 -0.39 3.45 -1.04 -1.26 -1.18 114.28 111.44 1t61 n THR 132 Ca 0.14 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1t61 n THR 132 Cb 0.49 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1t61 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t61 n GLY 133 N 3.48 0.74 3.28 3.41 0.00 -1.26 -5.06 105.19 109.78 1t61 n GLY 133 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1t61 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t61 s TRP 134 N -2.44 2.23 0.20 1.61 0.52 -0.33 -1.30 118.94 119.43 1t61 s TRP 134 Ca 0.00 -0.48 0.06 0.00 0.02 0.00 0.00 56.10 55.70 1t61 s TRP 134 Cb 0.00 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.84 1t61 s TRP 134 CO 0.00 -0.08 0.16 -1.54 0.02 0.00 0.00 176.95 175.51 1t61 s SER 135 N -0.47 5.53 0.31 2.95 1.04 0.84 -4.63 113.70 119.27 1t61 s SER 135 Ca 0.06 -0.17 -0.27 0.00 0.48 0.00 0.00 55.95 56.05 1t61 s SER 135 Cb -0.10 -1.44 -0.09 0.00 0.10 0.00 0.00 66.02 64.49 1t61 s SER 135 CO 0.00 0.03 1.01 -0.55 0.98 0.00 0.00 173.24 174.71 1t61 s SER 136 N -3.38 7.25 -0.08 7.02 0.15 -1.26 -0.25 113.70 123.14 1t61 s SER 136 Ca 0.32 2.04 -0.01 0.00 0.70 0.00 0.00 55.95 58.99 1t61 s SER 136 Cb -0.09 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1t61 s SER 136 CO 0.24 -0.14 -0.08 0.18 1.20 0.00 0.00 173.24 174.64 1t61 n LEU 137 N 0.79 1.99 -3.60 3.45 4.77 -0.01 -4.85 117.00 119.54 1t61 n LEU 137 Ca 0.01 0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1t61 n LEU 137 Cb 0.48 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1t61 n LEU 137 CO 0.49 0.44 0.83 -1.66 -1.33 0.00 0.00 177.39 176.16 1t61 s TRP 138 N -2.15 -0.19 0.28 -1.77 -2.14 -1.19 -4.76 118.94 107.01 1t61 s TRP 138 Ca -0.11 0.04 0.12 0.00 2.66 0.00 0.00 56.10 58.81 1t61 s TRP 138 Cb 0.03 0.56 -0.05 0.00 -3.10 0.00 0.00 33.47 30.91 1t61 s TRP 138 CO 0.16 -0.49 -0.16 0.96 -2.66 0.00 0.00 176.95 174.76 1t61 s ILE 139 N -2.88 2.67 0.00 0.66 -4.36 -1.26 -0.66 121.20 115.36 1t61 s ILE 139 Ca 0.09 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.18 1t61 s ILE 139 Cb -0.00 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.31 1t61 s ILE 139 CO -0.04 -0.39 0.00 0.61 0.24 0.00 0.00 174.94 175.36 1t61 n GLY 140 N -0.65 2.07 3.36 6.27 0.00 -0.33 -4.32 105.19 111.60 1t61 n GLY 140 Ca -0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1t61 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t61 s TYR 141 N -1.50 2.36 -0.77 1.61 1.51 0.13 -1.74 117.35 118.95 1t61 s TYR 141 Ca 0.00 -0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 55.42 1t61 s TYR 141 Cb 0.00 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1t61 s TYR 141 CO 0.00 0.14 1.89 -1.12 -1.11 0.00 0.00 175.55 175.35 1t61 s SER 142 N -1.24 5.24 -0.31 2.29 0.01 -0.37 -1.84 113.70 117.48 1t61 s SER 142 Ca 0.12 -0.24 -0.16 0.00 1.31 0.00 0.00 55.95 56.99 1t61 s SER 142 Cb -0.10 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1t61 s SER 142 CO 0.02 -2.54 0.40 0.12 0.41 0.00 0.00 173.24 171.66 1t61 s PHE 143 N 9.45 3.22 -0.09 2.43 5.36 0.12 -1.23 117.98 137.24 1t61 s PHE 143 Ca 0.68 0.21 0.03 0.00 -0.96 0.00 0.00 56.93 56.89 1t61 s PHE 143 Cb -0.09 -2.69 -0.08 0.00 -0.34 0.00 0.00 43.02 39.82 1t61 s PHE 143 CO 0.09 -0.37 -0.04 1.55 -1.46 0.00 0.00 175.22 174.98 1t61 n VAL 144 N 5.23 0.57 -3.83 3.12 3.14 -0.45 -4.30 118.33 121.82 1t61 n VAL 144 Ca -0.08 -0.27 -0.07 0.00 -2.96 0.00 0.00 64.34 60.96 1t61 n VAL 144 Cb 0.50 -0.83 0.01 0.00 -1.06 0.00 0.00 33.84 32.46 1t61 n VAL 144 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1t61 s MET 145 N -2.20 1.96 0.15 1.45 0.23 -1.13 -0.40 119.30 119.36 1t61 s MET 145 Ca -0.10 -1.22 -0.20 0.00 -1.03 0.00 0.00 55.69 53.14 1t61 s MET 145 Cb 0.03 0.58 0.05 0.00 -1.53 0.00 0.00 34.83 33.96 1t61 s MET 145 CO 0.27 -0.91 0.52 -3.38 -2.03 0.00 0.00 175.02 169.49 1t61 s HIS 146 N -2.70 -0.39 0.06 3.16 -3.43 -0.74 0.24 115.29 111.49 1t61 s HIS 146 Ca 0.15 0.13 -0.08 0.00 -0.80 0.00 0.00 55.06 54.46 1t61 s HIS 146 Cb -0.05 0.44 -0.00 0.00 -1.43 0.00 0.00 32.58 31.54 1t61 s HIS 146 CO 0.09 -0.80 0.18 0.95 -2.00 0.00 0.00 174.74 173.15 1t61 s THR 147 N -3.78 0.13 0.00 -5.38 -4.23 -0.60 -2.94 115.64 98.84 1t61 s THR 147 Ca 0.02 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1t61 s THR 147 Cb -0.00 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1t61 s THR 147 CO -0.12 -0.58 0.00 -0.24 -0.54 0.00 0.00 174.62 173.14 1t61 n SER 148 N 0.40 0.00 -4.64 3.99 2.88 -0.36 -0.68 113.62 115.21 1t61 n SER 148 Ca -0.17 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 56.89 1t61 n SER 148 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1t61 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t61 n ALA 149 N -3.00 0.46 -1.12 -1.46 0.00 -1.26 -0.79 120.51 113.33 1t61 n ALA 149 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.86 1t61 n ALA 149 Cb 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 1t61 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 150 N 2.79 0.51 2.46 0.00 0.00 -1.26 -2.06 105.19 107.64 1t61 n GLY 150 Ca 0.16 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1t61 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t61 n ALA 151 N 1.08 -0.34 -2.20 4.61 0.00 0.03 -4.98 120.51 118.70 1t61 n ALA 151 Ca -0.04 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 1t61 n ALA 151 Cb 0.41 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 18.02 1t61 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t61 s GLU 152 N -3.87 3.41 0.00 0.00 0.41 -0.87 -4.73 118.70 113.05 1t61 s GLU 152 Ca 0.00 0.19 0.00 0.00 -0.41 0.00 0.00 54.97 54.75 1t61 s GLU 152 Cb 0.00 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 1t61 s GLU 152 CO 0.00 -0.34 0.00 0.41 -0.49 0.00 0.00 175.26 174.84 1t61 n GLY 153 N -2.36 -0.78 0.29 -1.39 0.00 -1.26 -1.22 105.19 98.46 1t61 n GLY 153 Ca 0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 1t61 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t61 n SER 154 N 0.42 -0.17 -0.86 1.61 3.41 -1.15 -4.70 113.62 112.18 1t61 n SER 154 Ca 0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1t61 n SER 154 Cb 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1t61 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t61 n GLY 155 N -0.04 2.55 3.43 5.00 0.00 -1.26 -1.79 105.19 113.08 1t61 n GLY 155 Ca -0.01 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1t61 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t61 s GLN 156 N -1.57 1.54 0.07 1.61 -1.52 0.46 -4.75 119.66 115.50 1t61 s GLN 156 Ca 0.00 -1.35 -0.30 0.00 -1.95 0.00 0.00 55.36 51.76 1t61 s GLN 156 Cb 0.00 -1.95 -0.05 0.00 -0.22 0.00 0.00 33.01 30.79 1t61 s GLN 156 CO 0.00 0.44 1.06 0.00 -0.25 0.00 0.00 175.29 176.54 1t61 s ALA 157 N -1.24 3.28 -1.01 6.09 0.00 -1.26 -4.88 121.76 122.74 1t61 s ALA 157 Ca 0.17 0.68 0.09 0.00 0.00 0.00 0.00 51.96 52.90 1t61 s ALA 157 Cb -0.10 -3.36 0.39 0.00 0.00 0.00 0.00 23.12 20.06 1t61 s ALA 157 CO 0.08 -0.23 1.29 1.28 0.00 0.00 0.00 175.76 178.17 1t61 n LEU 158 N 3.37 0.00 -0.72 0.00 4.77 -1.26 -1.31 117.00 121.86 1t61 n LEU 158 Ca 0.05 0.49 0.08 0.00 -0.03 0.00 0.00 56.01 56.60 1t61 n LEU 158 Cb 0.48 -0.49 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1t61 n LEU 158 CO 0.53 -0.34 0.57 0.00 -1.33 0.00 0.00 177.39 176.82 1t61 n ALA 159 N -1.49 2.38 -2.35 -1.18 0.00 -1.26 -4.65 120.51 111.95 1t61 n ALA 159 Ca 0.02 -0.86 -0.36 0.00 0.00 0.00 0.00 53.44 52.24 1t61 n ALA 159 Cb 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 1t61 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t61 s SER 160 N -1.15 6.87 0.64 0.00 0.15 -0.43 -1.49 113.70 118.29 1t61 s SER 160 Ca 0.23 1.11 0.35 0.00 0.70 0.00 0.00 55.95 58.34 1t61 s SER 160 Cb 0.14 -2.30 1.95 0.00 -1.71 0.00 0.00 66.02 64.10 1t61 s SER 160 CO 0.20 0.14 2.17 -0.65 1.20 0.00 0.00 173.24 176.30 1t61 h PRO 161 N 3.77 0.00 0.00 5.44 0.11 -1.85 -0.78 132.00 138.68 1t61 h PRO 161 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1t61 h PRO 161 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t61 h PRO 161 CO 0.65 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.22 1t61 h GLY 162 N 0.00 0.00 -0.70 -0.55 0.00 -1.86 -1.38 103.07 98.57 1t61 h GLY 162 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1t61 h GLY 162 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 163 N -3.05 1.39 -3.85 0.19 3.41 -0.30 -4.60 113.62 106.83 1t61 n SER 163 Ca -0.01 -1.76 -0.30 0.00 -0.26 0.00 0.00 58.87 56.54 1t61 n SER 163 Cb 0.17 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 1t61 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t61 s LEU 165 N 0.28 4.32 0.33 0.00 1.43 -0.77 -4.77 118.68 119.51 1t61 s LEU 165 Ca 0.16 1.17 0.06 0.00 -1.03 0.00 0.00 54.13 54.49 1t61 s LEU 165 Cb -0.24 -3.06 0.57 0.00 0.03 0.00 0.00 46.19 43.49 1t61 s LEU 165 CO -0.03 -0.10 1.80 -0.33 0.23 0.00 0.00 176.35 177.93 1t61 h GLU 166 N 6.68 0.36 -5.18 1.70 5.08 -1.87 0.36 114.58 121.70 1t61 h GLU 166 Ca -0.41 -0.11 -0.66 0.00 -1.00 0.00 0.00 59.36 57.18 1t61 h GLU 166 Cb 1.20 -0.03 -0.27 0.00 0.50 0.00 0.00 28.75 30.14 1t61 h GLU 166 CO 0.75 0.55 -0.74 -1.21 -1.00 0.00 0.00 179.01 177.36 1t61 s GLU 167 N -4.57 3.40 0.16 2.33 0.41 -1.26 -4.63 118.70 114.54 1t61 s GLU 167 Ca -0.06 -0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 53.55 1t61 s GLU 167 Cb 0.14 -2.81 -0.07 0.00 -1.78 0.00 0.00 34.13 29.61 1t61 s GLU 167 CO 0.76 0.04 1.04 0.12 -0.49 0.00 0.00 175.26 176.73 1t61 s PHE 168 N 0.84 3.70 -0.08 1.61 2.19 -1.26 -4.93 117.98 120.04 1t61 s PHE 168 Ca -0.03 1.69 -0.04 0.00 0.33 0.00 0.00 56.93 58.89 1t61 s PHE 168 Cb -0.15 -3.17 0.04 0.00 -1.31 0.00 0.00 43.02 38.43 1t61 s PHE 168 CO 0.01 -0.24 0.18 1.03 1.83 0.00 0.00 175.22 178.03 1t61 s ARG 169 N -0.30 0.14 0.39 10.12 1.81 -1.26 -5.01 118.95 124.85 1t61 s ARG 169 Ca 0.48 0.41 0.15 0.00 -1.72 0.00 0.00 55.73 55.05 1t61 s ARG 169 Cb -0.27 -0.13 0.82 0.00 -0.45 0.00 0.00 34.95 34.92 1t61 s ARG 169 CO 0.33 -0.15 1.86 0.66 -0.68 0.00 0.00 175.30 177.31 1t61 h SER 170 N 7.09 0.00 -2.84 0.23 4.64 -1.99 -3.29 113.55 117.39 1t61 h SER 170 Ca -0.41 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.30 1t61 h SER 170 Cb 1.15 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.83 1t61 h SER 170 CO 0.41 0.33 -0.69 0.00 -0.87 0.00 0.00 176.83 176.00 1t61 n ALA 171 N -2.43 3.27 1.08 5.18 0.00 -1.26 -4.45 120.51 121.90 1t61 n ALA 171 Ca -0.02 -4.12 0.13 0.00 0.00 0.00 0.00 53.44 49.43 1t61 n ALA 171 Cb 0.39 -0.94 0.61 0.00 0.00 0.00 0.00 19.45 19.50 1t61 n ALA 171 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t61 n PRO 172 N 2.17 0.19 -4.08 0.00 -0.04 -1.24 -4.85 135.00 127.16 1t61 n PRO 172 Ca 0.23 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1t61 n PRO 172 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 1t61 n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t61 s PHE 173 N -2.78 0.51 0.15 0.54 -0.71 -1.26 -0.52 117.98 113.91 1t61 s PHE 173 Ca 0.19 -0.97 0.11 0.00 -1.04 0.00 0.00 56.93 55.22 1t61 s PHE 173 Cb 0.17 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1t61 s PHE 173 CO 0.44 -0.33 -0.25 -1.50 -1.34 0.00 0.00 175.22 172.24 1t61 s ILE 174 N -3.48 2.21 -0.20 -4.49 2.07 0.09 -4.79 121.20 112.61 1t61 s ILE 174 Ca 0.04 -1.82 -0.08 0.00 -1.41 0.00 0.00 60.65 57.38 1t61 s ILE 174 Cb 0.05 -1.98 -0.04 0.00 0.13 0.00 0.00 42.46 40.62 1t61 s ILE 174 CO -0.08 0.00 0.08 -0.70 -1.91 0.00 0.00 174.94 172.34 1t61 s GLU 175 N -2.23 3.97 0.24 3.50 2.12 -0.88 -2.10 118.70 123.32 1t61 s GLU 175 Ca 0.15 -0.34 0.12 0.00 0.36 0.00 0.00 54.97 55.26 1t61 s GLU 175 Cb -0.09 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 1t61 s GLU 175 CO 0.07 0.19 -0.21 0.00 -0.54 0.00 0.00 175.26 174.76 1t61 s HIS 177 N -2.19 1.71 0.57 0.00 0.09 0.12 -1.51 115.29 114.07 1t61 s HIS 177 Ca 0.26 -0.52 0.27 0.00 -0.00 0.00 0.00 55.06 55.07 1t61 s HIS 177 Cb -0.06 -0.84 1.53 0.00 -0.00 0.00 0.00 32.58 33.22 1t61 s HIS 177 CO 0.13 0.31 2.04 0.78 -0.00 0.00 0.00 174.74 177.99 1t61 h GLY 178 N 3.05 0.00 1.72 -2.22 0.00 -1.34 0.14 103.07 104.42 1t61 h GLY 178 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1t61 h GLY 178 CO 0.55 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.13 1t61 n ARG 179 N -3.97 0.18 0.00 4.80 1.85 -1.26 -4.81 116.66 113.44 1t61 n ARG 179 Ca 0.05 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1t61 n ARG 179 Cb 0.45 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 1t61 n ARG 179 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1t61 n GLY 180 N 0.41 0.81 3.92 2.89 0.00 0.49 -5.10 105.19 108.61 1t61 n GLY 180 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1t61 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t61 s THR 181 N -2.00 5.07 -0.00 2.61 -4.23 -1.24 -4.11 115.64 111.73 1t61 s THR 181 Ca 0.00 -0.94 -0.07 0.00 -1.18 0.00 0.00 61.69 59.50 1t61 s THR 181 Cb 0.00 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1t61 s THR 181 CO 0.00 -0.21 0.13 0.00 -0.54 0.00 0.00 174.62 174.00 1t61 s ASN 183 N -1.25 -0.12 -0.01 0.00 2.47 0.30 0.17 114.94 116.49 1t61 s ASN 183 Ca -0.13 -0.23 -0.06 0.00 0.42 0.00 0.00 52.86 52.86 1t61 s ASN 183 Cb -0.07 0.30 -0.04 0.00 -1.45 0.00 0.00 41.25 39.98 1t61 s ASN 183 CO 0.01 -0.54 0.23 -0.31 -3.72 0.00 0.00 177.10 172.77 1t61 s TYR 184 N -2.78 3.58 0.11 0.43 1.51 -1.26 -2.07 117.35 116.86 1t61 s TYR 184 Ca 0.13 0.52 0.07 0.00 -1.01 0.00 0.00 57.07 56.79 1t61 s TYR 184 Cb 0.02 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1t61 s TYR 184 CO -0.02 0.64 -0.19 0.71 -1.11 0.00 0.00 175.55 175.59 1t61 s TYR 185 N -1.26 1.66 0.60 2.71 1.51 -1.26 -5.03 117.35 116.27 1t61 s TYR 185 Ca 0.26 -0.45 0.30 0.00 -1.01 0.00 0.00 57.07 56.17 1t61 s TYR 185 Cb -0.13 -0.89 1.74 0.00 -0.11 0.00 0.00 41.96 42.57 1t61 s TYR 185 CO 0.15 0.19 2.16 0.00 -1.11 0.00 0.00 175.55 176.94 1t61 h ALA 186 N 3.94 1.67 -0.52 3.71 0.00 -2.03 -1.55 119.26 124.48 1t61 h ALA 186 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1t61 h ALA 186 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t61 h ALA 186 CO 0.42 -0.19 0.00 0.27 0.00 0.00 0.00 179.25 179.75 1t61 n ASN 187 N -3.76 3.25 -4.58 0.00 6.94 -1.26 -4.81 115.26 111.04 1t61 n ASN 187 Ca -0.00 -2.15 -0.42 0.00 -0.02 0.00 0.00 54.58 51.99 1t61 n ASN 187 Cb 0.24 -0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 1t61 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t61 s ALA 188 N -1.50 2.96 -0.09 -2.53 0.00 -0.59 -4.19 121.76 115.82 1t61 s ALA 188 Ca 0.37 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 1t61 s ALA 188 Cb 0.21 -4.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 1t61 s ALA 188 CO 0.22 -2.75 -0.00 0.71 0.00 0.00 0.00 175.76 173.94 1t61 s TYR 189 N 5.12 3.14 -0.12 0.00 4.12 0.15 -4.95 117.35 124.82 1t61 s TYR 189 Ca 0.43 0.14 0.02 0.00 0.02 0.00 0.00 57.07 57.68 1t61 s TYR 189 Cb -0.08 -1.81 -0.01 0.00 -1.52 0.00 0.00 41.96 38.55 1t61 s TYR 189 CO 0.24 0.41 -0.18 -1.54 0.02 0.00 0.00 175.55 174.51 1t61 s SER 190 N -0.74 3.61 -0.12 2.29 1.04 -1.26 -1.55 113.70 116.97 1t61 s SER 190 Ca 0.11 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 1t61 s SER 190 Cb -0.12 -1.53 -0.03 0.00 0.10 0.00 0.00 66.02 64.45 1t61 s SER 190 CO 0.02 0.16 -0.00 -0.36 0.98 0.00 0.00 173.24 174.04 1t61 s PHE 191 N 0.37 3.13 0.10 5.02 0.40 0.14 -4.98 117.98 122.15 1t61 s PHE 191 Ca -0.14 0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1t61 s PHE 191 Cb -0.17 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1t61 s PHE 191 CO 0.07 0.28 -0.15 -1.58 0.70 0.00 0.00 175.22 174.54 1t61 s TRP 192 N -0.34 1.36 0.32 0.36 0.52 -1.26 -1.34 118.94 118.56 1t61 s TRP 192 Ca 0.07 -0.50 -0.29 0.00 0.02 0.00 0.00 56.10 55.40 1t61 s TRP 192 Cb -0.12 -0.74 -0.10 0.00 -1.15 0.00 0.00 33.47 31.35 1t61 s TRP 192 CO 0.02 0.11 1.33 -0.51 0.02 0.00 0.00 176.95 177.92 1t61 s LEU 193 N -2.06 4.42 0.39 2.99 1.43 -0.36 -4.89 118.68 120.60 1t61 s LEU 193 Ca 0.04 2.70 0.04 0.00 -1.03 0.00 0.00 54.13 55.88 1t61 s LEU 193 Cb -0.08 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1t61 s LEU 193 CO 0.03 -0.57 0.56 0.00 0.23 0.00 0.00 176.35 176.60 1t61 s ALA 194 N -1.00 4.02 0.06 4.21 0.00 -1.26 -1.20 121.76 126.59 1t61 s ALA 194 Ca 0.50 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1t61 s ALA 194 Cb -0.40 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 1t61 s ALA 194 CO 0.52 -0.20 0.96 0.95 0.00 0.00 0.00 175.76 177.99 1t61 s THR 195 N -2.35 4.67 -0.13 0.00 -4.23 -0.40 -4.49 115.64 108.71 1t61 s THR 195 Ca 0.47 2.05 0.01 0.00 -1.18 0.00 0.00 61.69 63.03 1t61 s THR 195 Cb -0.10 -4.31 0.02 0.00 1.34 0.00 0.00 72.50 69.45 1t61 s THR 195 CO 0.34 0.25 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.91 1t61 s ILE 196 N 0.43 1.46 0.28 2.99 -1.09 0.25 -4.95 121.20 120.56 1t61 s ILE 196 Ca 0.49 -0.58 -0.29 0.00 -2.23 0.00 0.00 60.65 58.04 1t61 s ILE 196 Cb -0.22 -1.37 -0.10 0.00 -1.58 0.00 0.00 42.46 39.19 1t61 s ILE 196 CO 0.29 0.44 1.09 -1.61 -1.23 0.00 0.00 174.94 173.92 1t61 s GLU 197 N 1.37 4.65 0.24 2.79 2.02 -1.26 -4.83 118.70 123.69 1t61 s GLU 197 Ca 0.01 1.79 -0.04 0.00 0.02 0.00 0.00 54.97 56.76 1t61 s GLU 197 Cb -0.13 -3.19 0.41 0.00 0.10 0.00 0.00 34.13 31.31 1t61 s GLU 197 CO -0.08 0.22 1.80 0.00 0.02 0.00 0.00 175.26 177.23 1t61 h ARG 198 N 3.84 0.73 0.00 1.61 3.08 -1.99 -0.62 114.38 121.03 1t61 h ARG 198 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1t61 h ARG 198 Cb 1.21 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1t61 h ARG 198 CO 0.67 0.48 0.00 -1.13 -1.07 0.00 0.00 179.97 178.92 1t61 n SER 199 N -4.77 0.47 -0.76 7.04 3.41 -1.26 -2.71 113.62 115.05 1t61 n SER 199 Ca 0.14 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.46 1t61 n SER 199 Cb 0.29 -0.72 0.08 0.00 -0.26 0.00 0.00 64.21 63.60 1t61 n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t61 n GLU 200 N -2.03 1.65 -0.25 4.33 -0.58 -0.26 -4.59 120.64 118.92 1t61 n GLU 200 Ca 0.02 -1.62 0.05 0.00 -0.42 0.00 0.00 57.16 55.19 1t61 n GLU 200 Cb 0.21 -1.37 0.18 0.00 -0.57 0.00 0.00 31.44 29.89 1t61 n GLU 200 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1t61 h MET 201 N 3.72 0.26 -1.48 3.49 2.86 -1.29 -1.82 114.93 120.67 1t61 h MET 201 Ca 0.00 -0.02 -0.65 0.00 -2.06 0.00 0.00 59.70 56.98 1t61 h MET 201 Cb 0.79 -0.06 -0.36 0.00 0.06 0.00 0.00 31.60 32.03 1t61 h MET 201 CO 0.00 0.17 -0.01 1.19 1.06 0.00 0.00 176.91 179.32 1t61 n PHE 202 N -5.16 3.16 -4.16 -0.22 3.01 -1.26 -4.96 117.46 107.86 1t61 n PHE 202 Ca 0.14 -2.72 -0.15 0.00 1.01 0.00 0.00 57.45 55.73 1t61 n PHE 202 Cb 0.46 -0.62 -0.11 0.00 -0.01 0.00 0.00 39.48 39.19 1t61 n PHE 202 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1t61 s LYS 203 N -3.75 0.80 0.17 -1.08 -0.14 -0.68 -5.11 119.74 109.95 1t61 s LYS 203 Ca 0.52 -1.05 -0.32 0.00 -1.36 0.00 0.00 55.97 53.76 1t61 s LYS 203 Cb 0.43 -0.59 -0.12 0.00 -1.68 0.00 0.00 37.83 35.87 1t61 s LYS 203 CO -0.20 0.11 1.73 1.17 -0.76 0.00 0.00 175.35 177.40 1t61 n LYS 204 N 0.89 2.66 -1.65 1.68 4.81 -1.26 -4.90 118.16 120.38 1t61 n LYS 204 Ca -0.18 0.96 -0.39 0.00 -0.87 0.00 0.00 58.31 57.83 1t61 n LYS 204 Cb 0.56 -2.81 0.04 0.00 0.02 0.00 0.00 35.03 32.84 1t61 n LYS 204 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t61 n PRO 205 N 4.38 1.24 -3.42 1.64 -0.02 -1.26 -4.96 135.00 132.61 1t61 n PRO 205 Ca 0.17 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1t61 n PRO 205 Cb 0.34 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1t61 n PRO 205 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t61 s THR 206 N -1.39 5.19 0.56 3.45 2.01 -1.26 -5.05 115.64 119.15 1t61 s THR 206 Ca 0.71 -0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.37 1t61 s THR 206 Cb -0.45 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1t61 s THR 206 CO 0.50 -0.14 1.36 -2.84 -0.69 0.00 0.00 174.62 172.81 1t61 s PRO 207 N 1.95 3.03 -0.10 4.92 0.02 -1.26 -5.04 135.00 138.52 1t61 s PRO 207 Ca 0.10 2.23 -0.08 0.00 0.02 0.00 0.00 61.00 63.27 1t61 s PRO 207 Cb -0.17 -2.19 0.03 0.00 0.02 0.00 0.00 34.50 32.19 1t61 s PRO 207 CO 0.12 -1.28 0.26 -1.12 -0.33 0.00 0.00 177.00 174.64 1t61 s SER 208 N -0.99 -0.27 -0.23 2.53 0.01 -1.26 -5.13 113.70 108.36 1t61 s SER 208 Ca 0.74 0.52 0.01 0.00 1.31 0.00 0.00 55.95 58.52 1t61 s SER 208 Cb -0.41 0.50 0.04 0.00 0.21 0.00 0.00 66.02 66.36 1t61 s SER 208 CO 0.47 -0.11 -0.12 -0.89 0.41 0.00 0.00 173.24 173.01 1t61 s THR 209 N 0.42 2.42 -0.09 1.44 2.01 -1.26 -5.11 115.64 115.45 1t61 s THR 209 Ca -0.02 -1.20 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 1t61 s THR 209 Cb -0.04 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1t61 s THR 209 CO -0.02 0.22 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.36 1t61 s LEU 210 N 1.24 3.48 0.31 4.42 2.01 -1.26 -5.11 118.68 123.77 1t61 s LEU 210 Ca -0.01 0.08 0.11 0.00 0.01 0.00 0.00 54.13 54.31 1t61 s LEU 210 Cb -0.17 -1.80 -0.06 0.00 0.01 0.00 0.00 46.19 44.18 1t61 s LEU 210 CO -0.07 0.34 -0.12 -0.54 1.01 0.00 0.00 176.35 176.97 1t61 s LYS 211 N -0.67 1.82 0.02 1.70 1.02 -1.26 -4.80 119.74 117.58 1t61 s LYS 211 Ca 0.11 -1.80 -0.24 0.00 0.02 0.00 0.00 55.97 54.05 1t61 s LYS 211 Cb -0.12 -1.79 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 1t61 s LYS 211 CO 0.02 0.24 0.61 0.00 -0.92 0.00 0.00 175.35 175.30 1t61 n ALA 212 N -0.74 -2.45 0.00 5.17 0.00 -1.26 -0.49 120.51 120.74 1t61 n ALA 212 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1t61 n ALA 212 Cb 0.61 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1t61 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 213 N 1.02 2.41 0.00 0.00 0.00 -1.26 -4.77 105.19 102.59 1t61 n GLY 213 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1t61 n GLY 213 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t61 n GLU 214 N -2.00 0.43 -0.02 1.61 4.07 0.36 -4.86 120.64 120.23 1t61 n GLU 214 Ca 0.00 -0.57 -0.09 0.00 -0.06 0.00 0.00 57.16 56.43 1t61 n GLU 214 Cb 0.00 -0.72 -0.04 0.00 -0.06 0.00 0.00 31.44 30.62 1t61 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1t61 h LEU 215 N 0.00 -0.13 0.00 4.31 3.38 -1.85 -2.63 115.31 118.40 1t61 h LEU 215 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1t61 h LEU 215 Cb 0.53 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1t61 h LEU 215 CO 0.00 -0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.03 1t61 n ARG 216 N -5.16 0.09 0.29 1.13 1.74 -1.26 -3.36 116.66 110.13 1t61 n ARG 216 Ca -0.04 0.24 0.18 0.00 -0.77 0.00 0.00 57.85 57.46 1t61 n ARG 216 Cb 0.10 -1.50 0.88 0.00 -1.02 0.00 0.00 32.46 30.92 1t61 n ARG 216 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1t61 h THR 217 N 0.00 0.21 -0.04 0.55 1.35 -1.84 -2.93 112.91 110.21 1t61 h THR 217 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1t61 h THR 217 Cb 0.07 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1t61 h THR 217 CO 0.00 0.04 0.00 1.41 -0.25 0.00 0.00 175.52 176.72 1t61 n HIS 218 N -3.29 0.06 -3.41 4.73 8.25 -1.21 -4.87 115.22 115.47 1t61 n HIS 218 Ca -0.01 -0.58 -0.39 0.00 -0.26 0.00 0.00 57.72 56.48 1t61 n HIS 218 Cb 0.20 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 1t61 n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t61 s VAL 219 N -1.31 5.20 0.59 1.59 1.01 -1.11 -1.27 120.40 125.10 1t61 s VAL 219 Ca 0.08 0.58 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 1t61 s VAL 219 Cb 0.06 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1t61 s VAL 219 CO 0.02 0.20 1.28 -0.55 0.00 0.00 0.00 175.10 176.05 1t61 s SER 220 N 1.40 5.08 0.32 3.32 0.15 -0.34 -4.51 113.70 119.11 1t61 s SER 220 Ca 0.15 2.58 0.07 0.00 0.70 0.00 0.00 55.95 59.45 1t61 s SER 220 Cb -0.15 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 1t61 s SER 220 CO 0.09 -1.68 0.30 -0.13 1.20 0.00 0.00 173.24 173.02 1t61 s ARG 221 N -3.18 2.83 0.19 5.44 1.81 -0.94 -1.24 118.95 123.87 1t61 s ARG 221 Ca 0.77 -1.20 -0.11 0.00 -1.72 0.00 0.00 55.73 53.47 1t61 s ARG 221 Cb -0.36 -2.55 -0.00 0.00 -0.45 0.00 0.00 34.95 31.59 1t61 s ARG 221 CO 0.40 0.15 0.36 0.00 -0.68 0.00 0.00 175.30 175.53 1t61 s GLN 223 N -3.97 0.10 -0.12 0.00 0.74 -0.60 -1.18 119.66 114.63 1t61 s GLN 223 Ca 0.17 0.26 -0.14 0.00 0.05 0.00 0.00 55.36 55.70 1t61 s GLN 223 Cb 0.02 -0.07 -0.05 0.00 1.10 0.00 0.00 33.01 34.01 1t61 s GLN 223 CO 0.02 -0.09 0.34 0.08 -0.55 0.00 0.00 175.29 175.08 1t61 s VAL 224 N 0.64 5.24 0.17 1.34 1.01 0.16 -1.40 120.40 127.58 1t61 s VAL 224 Ca -0.05 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1t61 s VAL 224 Cb -0.07 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1t61 s VAL 224 CO -0.03 0.44 -0.02 0.00 0.00 0.00 0.00 175.10 175.48 1t61 s MET 226 N -3.87 1.07 0.21 0.00 -2.45 0.65 -1.27 119.30 113.65 1t61 s MET 226 Ca 0.23 -0.58 -0.30 0.00 -1.25 0.00 0.00 55.69 53.79 1t61 s MET 226 Cb 0.05 -1.05 -0.10 0.00 1.25 0.00 0.00 34.83 34.98 1t61 s MET 226 CO 0.04 0.28 1.44 0.50 1.05 0.00 0.00 175.02 178.33 1t61 s ARG 227 N -0.57 4.28 0.00 4.11 3.00 -0.85 -0.11 118.95 128.81 1t61 s ARG 227 Ca 0.04 2.25 0.29 0.00 -1.00 0.00 0.00 55.73 57.31 1t61 s ARG 227 Cb -0.06 -3.15 1.27 0.00 0.00 0.00 0.00 34.95 33.01 1t61 s ARG 227 CO 0.00 -0.43 1.87 0.54 0.00 0.00 0.00 175.30 177.27