#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 3.30 0.07 1.61 0.40 -1.25 -4.95 117.98 117.16 1t61 s PHE 6 Ca 0.00 1.59 0.06 0.00 -0.60 0.00 0.00 56.93 57.99 1t61 s PHE 6 Cb 0.00 -3.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 1t61 s PHE 6 CO 0.00 -1.05 -0.16 -0.51 0.70 0.00 0.00 175.22 174.20 1t61 s LEU 7 N -1.90 2.26 -0.02 -0.37 1.43 -1.26 -0.56 118.68 118.26 1t61 s LEU 7 Ca 0.50 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1t61 s LEU 7 Cb -0.33 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.25 1t61 s LEU 7 CO 0.42 -0.01 -0.03 0.54 0.23 0.00 0.00 176.35 177.50 1t61 s VAL 8 N -1.15 0.34 -0.09 -1.59 0.11 0.36 -4.89 120.40 113.48 1t61 s VAL 8 Ca 0.01 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 1t61 s VAL 8 Cb -0.10 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1t61 s VAL 8 CO 0.03 0.14 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.00 1t61 s THR 9 N 0.46 3.90 -0.01 5.04 2.01 -1.17 -0.53 115.64 125.34 1t61 s THR 9 Ca -0.05 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.62 1t61 s THR 9 Cb -0.08 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1t61 s THR 9 CO -0.01 0.58 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.70 1t61 s ARG 10 N -0.58 1.59 -0.15 4.92 3.52 0.21 -4.72 118.95 123.74 1t61 s ARG 10 Ca 0.09 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 1t61 s ARG 10 Cb -0.12 -1.55 -0.00 0.00 -1.56 0.00 0.00 34.95 31.72 1t61 s ARG 10 CO 0.02 0.42 -0.16 -1.01 -0.81 0.00 0.00 175.30 173.76 1t61 s HIS 11 N -0.49 2.76 0.22 5.12 3.76 -1.26 -0.43 115.29 124.98 1t61 s HIS 11 Ca 0.08 -1.06 0.07 0.00 -0.15 0.00 0.00 55.06 54.00 1t61 s HIS 11 Cb -0.08 -1.87 0.16 0.00 1.11 0.00 0.00 32.58 31.90 1t61 s HIS 11 CO -0.01 -0.48 1.50 0.66 -0.85 0.00 0.00 174.74 175.56 1t61 h SER 12 N 7.27 0.10 -1.55 1.40 4.64 -1.42 -3.45 113.55 120.53 1t61 h SER 12 Ca -0.32 -0.07 -0.29 0.00 -0.47 0.00 0.00 61.79 60.64 1t61 h SER 12 Cb 1.19 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 1t61 h SER 12 CO 0.56 0.80 -0.33 0.00 -0.87 0.00 0.00 176.83 176.99 1t61 n GLN 13 N -3.71 -1.10 -4.08 4.77 6.02 -1.26 -4.93 117.38 113.09 1t61 n GLN 13 Ca -0.02 0.81 -0.12 0.00 -0.01 0.00 0.00 57.00 57.66 1t61 n GLN 13 Cb 0.71 -5.05 -0.06 0.00 1.02 0.00 0.00 30.24 26.87 1t61 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t61 s THR 14 N -2.65 0.00 -1.81 5.09 -4.23 -1.26 -4.10 115.64 106.67 1t61 s THR 14 Ca 0.00 -1.61 0.26 0.00 -1.18 0.00 0.00 61.69 59.16 1t61 s THR 14 Cb 0.00 -2.47 0.65 0.00 1.34 0.00 0.00 72.50 72.02 1t61 s THR 14 CO 0.00 0.00 1.90 0.35 -0.54 0.00 0.00 174.62 176.33 1t61 n THR 15 N -0.46 0.07 -3.90 3.99 -2.24 -1.26 -2.13 114.28 108.36 1t61 n THR 15 Ca 0.00 0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 1t61 n THR 15 Cb 0.62 -0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.19 6.38 0.22 3.42 1.01 -1.26 -4.84 116.67 119.42 1t61 s ASP 16 Ca 0.34 0.36 -0.31 0.00 0.71 0.00 0.00 52.55 53.65 1t61 s ASP 16 Cb 0.18 -2.01 -0.11 0.00 1.01 0.00 0.00 42.92 41.99 1t61 s ASP 16 CO 0.33 0.27 1.59 -1.81 0.21 0.00 0.00 175.17 175.76 1t61 s ASP 17 N -1.91 6.48 0.68 0.27 1.01 -1.26 -4.53 116.67 117.42 1t61 s ASP 17 Ca 0.27 2.78 -0.11 0.00 0.71 0.00 0.00 52.55 56.20 1t61 s ASP 17 Cb -0.13 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1t61 s ASP 17 CO 0.18 -0.87 1.07 -2.16 0.21 0.00 0.00 175.17 173.60 1t61 s PRO 18 N 0.45 3.04 -0.04 8.23 0.04 -1.26 -5.00 135.00 140.47 1t61 s PRO 18 Ca 0.68 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 1t61 s PRO 18 Cb -0.46 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1t61 s PRO 18 CO 0.38 -0.95 0.14 -1.14 0.04 0.00 0.00 177.00 175.47 1t61 s GLN 19 N -5.22 3.32 0.20 4.56 0.74 -1.26 -4.73 119.66 117.27 1t61 s GLN 19 Ca 0.57 -0.33 -0.31 0.00 0.05 0.00 0.00 55.36 55.35 1t61 s GLN 19 Cb -0.12 -3.04 -0.09 0.00 1.10 0.00 0.00 33.01 30.86 1t61 s GLN 19 CO 0.53 0.69 1.44 0.00 -0.55 0.00 0.00 175.29 177.40 1t61 n PRO 21 N 2.98 0.05 -1.69 0.00 -0.02 -1.26 -4.81 135.00 130.25 1t61 n PRO 21 Ca 0.09 0.07 -0.44 0.00 -2.02 0.00 0.00 63.50 61.20 1t61 n PRO 21 Cb 0.41 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 1t61 n PRO 21 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1t61 n PRO 22 N -1.77 2.19 0.00 0.52 -0.02 -1.26 -1.78 135.00 132.88 1t61 n PRO 22 Ca 0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1t61 n PRO 22 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1t61 n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t61 n GLY 23 N 2.04 0.94 3.60 -1.23 0.00 -1.26 -4.99 105.19 104.29 1t61 n GLY 23 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.30 3.34 -0.04 2.61 -4.23 -0.73 -4.43 115.64 109.85 1t61 s THR 24 Ca 0.00 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1t61 s THR 24 Cb 0.00 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 1t61 s THR 24 CO 0.00 -0.16 -0.16 -0.54 -0.54 0.00 0.00 174.62 173.21 1t61 s LYS 25 N -3.02 2.43 0.23 3.99 1.02 -0.77 -4.75 119.74 118.87 1t61 s LYS 25 Ca 0.27 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 1t61 s LYS 25 Cb -0.08 -2.32 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 1t61 s LYS 25 CO 0.17 0.61 1.22 -1.50 -0.92 0.00 0.00 175.35 174.94 1t61 s ILE 26 N -0.72 3.31 -0.21 2.17 1.10 -1.26 -0.09 121.20 125.51 1t61 s ILE 26 Ca 0.11 1.17 -0.11 0.00 -0.51 0.00 0.00 60.65 61.31 1t61 s ILE 26 Cb -0.10 -3.75 -0.09 0.00 0.15 0.00 0.00 42.46 38.67 1t61 s ILE 26 CO 0.00 0.22 -0.28 0.18 -2.11 0.00 0.00 174.94 172.95 1t61 n LEU 27 N 1.98 1.56 -3.58 8.50 4.77 0.12 -4.87 117.00 125.48 1t61 n LEU 27 Ca 0.03 0.27 -0.07 0.00 -0.03 0.00 0.00 56.01 56.21 1t61 n LEU 27 Cb 0.44 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1t61 n LEU 27 CO 0.56 0.36 0.72 -0.72 -1.33 0.00 0.00 177.39 176.98 1t61 s TYR 28 N -2.44 -0.27 0.16 -1.77 -0.85 -1.18 -5.01 117.35 105.98 1t61 s TYR 28 Ca -0.30 0.09 0.08 0.00 -0.52 0.00 0.00 57.07 56.43 1t61 s TYR 28 Cb 0.11 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1t61 s TYR 28 CO 0.38 -0.60 -0.10 -1.01 -1.52 0.00 0.00 175.55 172.70 1t61 s HIS 29 N -3.11 2.66 0.00 -3.49 3.76 -1.26 -1.33 115.29 112.52 1t61 s HIS 29 Ca 0.07 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1t61 s HIS 29 Cb -0.01 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.35 1t61 s HIS 29 CO -0.06 0.48 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 1t61 n GLY 30 N 0.26 2.85 3.62 -2.22 0.00 -0.47 -4.57 105.19 104.65 1t61 n GLY 30 Ca -0.12 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.15 2.98 -0.70 1.61 2.02 0.17 -1.05 117.35 120.23 1t61 s TYR 31 Ca 0.00 0.04 -0.26 0.00 -0.37 0.00 0.00 57.07 56.48 1t61 s TYR 31 Cb 0.00 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1t61 s TYR 31 CO 0.00 0.39 1.62 -1.12 -1.57 0.00 0.00 175.55 174.87 1t61 s SER 32 N -1.11 5.67 -0.18 2.29 0.01 -0.19 -1.78 113.70 118.40 1t61 s SER 32 Ca 0.15 -0.13 -0.21 0.00 1.31 0.00 0.00 55.95 57.07 1t61 s SER 32 Cb -0.11 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1t61 s SER 32 CO 0.05 -2.15 0.63 -0.22 0.41 0.00 0.00 173.24 171.95 1t61 s LEU 33 N 7.65 4.17 -0.17 2.44 2.96 0.86 -1.34 118.68 135.25 1t61 s LEU 33 Ca 0.54 0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 55.18 1t61 s LEU 33 Cb -0.10 -2.90 -0.09 0.00 0.50 0.00 0.00 46.19 43.61 1t61 s LEU 33 CO 0.15 -0.23 -0.10 -0.11 -1.32 0.00 0.00 176.35 174.74 1t61 n LEU 34 N 4.80 1.85 -3.77 -0.68 7.94 0.27 -4.50 117.00 122.92 1t61 n LEU 34 Ca -0.02 0.52 -0.04 0.00 -1.11 0.00 0.00 56.01 55.37 1t61 n LEU 34 Cb 0.50 -0.88 -0.01 0.00 0.53 0.00 0.00 43.42 43.55 1t61 n LEU 34 CO 0.44 -0.17 0.70 -0.72 -1.11 0.00 0.00 177.39 176.54 1t61 s TYR 35 N -2.36 -0.13 0.23 1.96 1.13 -1.06 -2.16 117.35 114.95 1t61 s TYR 35 Ca -0.22 -0.20 0.06 0.00 -1.41 0.00 0.00 57.07 55.30 1t61 s TYR 35 Cb 0.04 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.50 1t61 s TYR 35 CO 0.37 -0.87 -0.07 0.14 -2.51 0.00 0.00 175.55 172.60 1t61 s VAL 36 N -3.30 1.46 -0.13 -3.49 -7.23 -0.38 -0.13 120.40 107.20 1t61 s VAL 36 Ca 0.12 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1t61 s VAL 36 Cb -0.02 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.74 1t61 s VAL 36 CO 0.03 -0.45 0.07 -1.58 -0.31 0.00 0.00 175.10 172.86 1t61 s GLN 37 N -3.74 0.10 -0.05 4.82 0.74 -0.46 -0.83 119.66 120.24 1t61 s GLN 37 Ca 0.26 0.04 0.05 0.00 0.05 0.00 0.00 55.36 55.75 1t61 s GLN 37 Cb 0.03 -1.41 -0.01 0.00 1.10 0.00 0.00 33.01 32.72 1t61 s GLN 37 CO 0.08 -0.54 -0.20 0.20 -0.55 0.00 0.00 175.29 174.28 1t61 s GLY 38 N 2.11 1.06 -1.45 2.59 0.00 -0.34 -1.29 107.32 110.00 1t61 s GLY 38 Ca 0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 1t61 s GLY 38 CO -0.07 -0.45 0.75 -2.01 0.00 0.00 0.00 173.10 171.32 1t61 n ASN 39 N 3.09 -5.14 0.00 1.64 4.05 -1.26 -1.16 115.26 116.48 1t61 n ASN 39 Ca -0.18 -0.48 0.00 0.00 0.45 0.00 0.00 54.58 54.37 1t61 n ASN 39 Cb 0.53 -4.14 0.00 0.00 1.23 0.00 0.00 39.78 37.39 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 -4.26 -0.92 -4.35 1.20 -0.58 -1.26 -5.00 120.64 105.48 1t61 n GLU 40 Ca -0.03 0.23 -0.34 0.00 -0.42 0.00 0.00 57.16 56.60 1t61 n GLU 40 Cb 0.56 -3.95 -0.13 0.00 -0.57 0.00 0.00 31.44 27.36 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 -0.95 3.58 0.20 3.49 1.81 -0.30 -4.99 118.95 121.79 1t61 s ARG 41 Ca 0.00 -0.56 -0.16 0.00 -1.72 0.00 0.00 55.73 53.30 1t61 s ARG 41 Cb 0.00 -2.91 -0.08 0.00 -0.45 0.00 0.00 34.95 31.52 1t61 s ARG 41 CO 0.00 0.15 0.63 0.00 -0.68 0.00 0.00 175.30 175.39 1t61 s ALA 42 N 0.60 3.49 -0.13 2.13 0.00 -1.26 -1.20 121.76 125.40 1t61 s ALA 42 Ca -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1t61 s ALA 42 Cb -0.15 -2.64 0.06 0.00 0.00 0.00 0.00 23.12 20.40 1t61 s ALA 42 CO 0.03 0.41 0.23 -1.58 0.00 0.00 0.00 175.76 174.84 1t61 s HIS 43 N -1.59 -0.34 0.48 0.00 2.46 -0.01 -4.92 115.29 111.37 1t61 s HIS 43 Ca 0.42 0.77 0.08 0.00 0.47 0.00 0.00 55.06 56.81 1t61 s HIS 43 Cb -0.14 -0.14 0.03 0.00 -0.13 0.00 0.00 32.58 32.20 1t61 s HIS 43 CO 0.20 -0.37 0.59 0.20 -2.47 0.00 0.00 174.74 172.88 1t61 s GLY 44 N 2.38 1.96 -0.14 1.59 0.00 -1.26 -1.25 107.32 110.59 1t61 s GLY 44 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1t61 s GLY 44 CO -0.08 -1.64 -0.12 1.20 0.00 0.00 0.00 173.10 172.46 1t61 s GLN 45 N -4.40 2.03 -0.01 2.90 -1.52 -0.92 -4.97 119.66 112.77 1t61 s GLN 45 Ca 0.54 -0.48 -0.36 0.00 -1.95 0.00 0.00 55.36 53.11 1t61 s GLN 45 Cb -0.07 -1.97 -0.14 0.00 -0.22 0.00 0.00 33.01 30.61 1t61 s GLN 45 CO 0.33 -0.26 1.66 -3.47 -0.25 0.00 0.00 175.29 173.30 1t61 n ASP 46 N 4.82 2.83 0.16 5.90 2.03 -1.26 -4.63 116.55 126.40 1t61 n ASP 46 Ca -0.15 1.05 0.11 0.00 0.52 0.00 0.00 54.79 56.31 1t61 n ASP 46 Cb 0.50 -1.32 0.56 0.00 -0.72 0.00 0.00 41.12 40.14 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 4.65 0.54 -0.33 -2.67 4.77 -1.26 -0.90 117.00 121.79 1t61 n LEU 47 Ca 0.21 0.75 0.13 0.00 -0.03 0.00 0.00 56.01 57.07 1t61 n LEU 47 Cb 0.25 -0.82 0.44 0.00 -2.33 0.00 0.00 43.42 40.96 1t61 n LEU 47 CO 0.69 -0.93 0.74 0.61 -1.33 0.00 0.00 177.39 177.17 1t61 n GLY 48 N -1.30 -0.39 3.72 -0.72 0.00 -1.26 -4.45 105.19 100.78 1t61 n GLY 48 Ca -0.01 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.31 3.64 0.53 2.61 -4.23 -0.08 -3.06 115.64 112.74 1t61 s THR 49 Ca 0.30 -1.72 0.42 0.00 -1.18 0.00 0.00 61.69 59.50 1t61 s THR 49 Cb 0.20 -3.03 0.43 0.00 1.34 0.00 0.00 72.50 71.44 1t61 s THR 49 CO 0.45 -0.33 2.28 0.00 -0.54 0.00 0.00 174.62 176.48 1t61 h ALA 50 N 1.70 1.02 0.00 3.99 0.00 -1.91 -2.11 119.26 121.94 1t61 h ALA 50 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1t61 h ALA 50 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t61 h ALA 50 CO 0.61 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.64 1t61 h GLY 51 N 0.49 0.00 -1.36 0.00 0.00 -1.95 -0.87 103.07 99.38 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 -2.81 2.28 -3.87 0.19 3.41 -0.79 -4.68 113.62 107.35 1t61 n SER 52 Ca -0.01 -1.83 -0.30 0.00 -0.26 0.00 0.00 58.87 56.47 1t61 n SER 52 Cb 0.17 -0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.86 4.28 0.34 0.00 1.43 -0.74 -4.81 118.68 120.05 1t61 s LEU 54 Ca 0.13 0.33 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1t61 s LEU 54 Cb -0.20 -2.09 0.61 0.00 0.03 0.00 0.00 46.19 44.53 1t61 s LEU 54 CO -0.11 0.27 1.78 0.03 0.23 0.00 0.00 176.35 178.54 1t61 h ARG 55 N 6.02 0.09 -5.65 1.70 3.08 -1.87 0.49 114.38 118.24 1t61 h ARG 55 Ca -0.46 -0.04 -0.67 0.00 0.07 0.00 0.00 59.98 58.88 1t61 h ARG 55 Cb 1.18 -0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.97 1t61 h ARG 55 CO 0.69 0.47 -0.77 0.15 -1.07 0.00 0.00 179.97 179.44 1t61 s LYS 56 N -4.16 3.09 0.12 0.04 1.02 -1.26 -4.66 119.74 113.92 1t61 s LYS 56 Ca -0.03 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1t61 s LYS 56 Cb 0.14 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1t61 s LYS 56 CO 0.74 0.35 0.27 0.12 -0.92 0.00 0.00 175.35 175.91 1t61 s PHE 57 N -0.00 3.50 -0.20 3.18 2.19 -1.26 -4.94 117.98 120.44 1t61 s PHE 57 Ca -0.04 0.21 -0.28 0.00 0.33 0.00 0.00 56.93 57.15 1t61 s PHE 57 Cb -0.14 -1.74 0.12 0.00 -1.31 0.00 0.00 43.02 39.95 1t61 s PHE 57 CO 0.04 0.53 1.00 0.45 1.83 0.00 0.00 175.22 179.07 1t61 s SER 58 N -2.91 -0.41 0.28 6.13 0.15 -1.26 -4.99 113.70 110.69 1t61 s SER 58 Ca 0.35 0.59 0.25 0.00 0.70 0.00 0.00 55.95 57.84 1t61 s SER 58 Cb -0.12 0.53 1.00 0.00 -1.71 0.00 0.00 66.02 65.72 1t61 s SER 58 CO 0.28 -0.27 1.74 0.71 1.20 0.00 0.00 173.24 176.90 1t61 h THR 59 N 2.98 0.00 -2.63 6.45 1.35 -1.94 -3.33 112.91 115.79 1t61 h THR 59 Ca -0.22 -0.27 -0.59 0.00 -0.55 0.00 0.00 66.41 64.77 1t61 h THR 59 Cb 1.17 1.04 -0.39 0.00 -1.73 0.00 0.00 68.15 68.24 1t61 h THR 59 CO 0.23 0.00 -0.85 -0.32 -0.25 0.00 0.00 175.52 174.33 1t61 s MET 60 N -3.33 1.01 0.00 4.72 -2.45 -1.26 -4.08 119.30 113.91 1t61 s MET 60 Ca 0.04 -1.96 0.16 0.00 -1.25 0.00 0.00 55.69 52.69 1t61 s MET 60 Cb 0.09 -1.75 0.76 0.00 1.25 0.00 0.00 34.83 35.18 1t61 s MET 60 CO 0.42 -1.28 1.52 -0.35 1.05 0.00 0.00 175.02 176.38 1t61 n PRO 61 N 3.28 1.34 -4.25 4.11 -0.04 -1.25 -4.91 135.00 133.29 1t61 n PRO 61 Ca 0.19 -0.52 -0.15 0.00 -0.04 0.00 0.00 63.50 62.98 1t61 n PRO 61 Cb 0.41 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.88 1.42 0.19 0.54 -0.71 -1.26 -5.10 117.98 111.18 1t61 s PHE 62 Ca 0.25 -1.46 -0.06 0.00 -1.04 0.00 0.00 56.93 54.62 1t61 s PHE 62 Cb 0.13 -0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 41.26 1t61 s PHE 62 CO 0.20 -0.69 0.24 -0.48 -1.34 0.00 0.00 175.22 173.16 1t61 s LEU 63 N -3.26 1.00 0.08 -1.99 0.05 -1.26 -4.51 118.68 108.79 1t61 s LEU 63 Ca 0.39 -1.11 0.05 0.00 0.05 0.00 0.00 54.13 53.51 1t61 s LEU 63 Cb 0.05 0.91 -0.03 0.00 -2.05 0.00 0.00 46.19 45.08 1t61 s LEU 63 CO 0.18 -0.91 -0.15 0.72 -0.55 0.00 0.00 176.35 175.64 1t61 s PHE 64 N -4.06 1.28 0.13 3.48 -0.12 -0.76 -4.98 117.98 112.96 1t61 s PHE 64 Ca 0.27 -0.47 0.08 0.00 -0.05 0.00 0.00 56.93 56.76 1t61 s PHE 64 Cb 0.04 -0.71 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 1t61 s PHE 64 CO 0.06 0.08 -0.19 0.00 -0.05 0.00 0.00 175.22 175.13 1t61 s ASN 66 N -2.31 4.35 0.00 0.00 2.20 -0.07 -4.97 114.94 114.14 1t61 s ASN 66 Ca 0.11 -1.23 0.11 0.00 -0.94 0.00 0.00 52.86 50.90 1t61 s ASN 66 Cb -0.07 -0.16 0.56 0.00 -2.00 0.00 0.00 41.25 39.57 1t61 s ASN 66 CO 0.05 -0.68 1.22 2.30 -2.94 0.00 0.00 177.10 177.05 1t61 n ILE 67 N -1.30 0.65 -0.21 0.54 -5.35 -1.26 -1.92 119.36 110.50 1t61 n ILE 67 Ca -0.05 0.16 0.08 0.00 -0.27 0.00 0.00 62.75 62.67 1t61 n ILE 67 Cb 0.65 -0.99 0.30 0.00 -1.74 0.00 0.00 39.64 37.86 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 -1.25 3.99 -3.10 7.28 3.02 -1.26 -4.92 115.26 119.02 1t61 n ASN 68 Ca 0.05 -2.35 -0.19 0.00 -0.03 0.00 0.00 54.58 52.06 1t61 n ASN 68 Cb 0.08 -0.52 0.07 0.00 -0.61 0.00 0.00 39.78 38.80 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 -5.13 -4.00 6.41 5.03 -0.81 -5.02 115.26 112.65 1t61 n ASN 69 Ca 0.21 -0.47 -0.26 0.00 0.87 0.00 0.00 54.58 54.94 1t61 n ASN 69 Cb 0.75 -4.33 -0.17 0.00 -1.02 0.00 0.00 39.78 35.01 1t61 n ASN 69 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1t61 s VAL 70 N -3.27 1.16 0.01 2.41 1.01 -1.25 -4.98 120.40 115.48 1t61 s VAL 70 Ca 0.42 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1t61 s VAL 70 Cb -0.18 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1t61 s VAL 70 CO 0.61 0.37 -0.15 0.00 0.00 0.00 0.00 175.10 175.93 1t61 s ASN 72 N -1.22 2.67 -0.16 0.00 0.01 0.14 -4.97 114.94 111.42 1t61 s ASN 72 Ca 0.14 -0.48 -0.01 0.00 -0.71 0.00 0.00 52.86 51.80 1t61 s ASN 72 Cb -0.11 -1.22 -0.01 0.00 0.41 0.00 0.00 41.25 40.32 1t61 s ASN 72 CO 0.04 0.10 -0.11 0.12 -1.51 0.00 0.00 177.10 175.74 1t61 s PHE 73 N 0.57 2.85 -1.24 2.20 5.36 -1.26 -1.83 117.98 124.63 1t61 s PHE 73 Ca -0.15 -0.81 -0.08 0.00 -0.96 0.00 0.00 56.93 54.93 1t61 s PHE 73 Cb -0.17 -1.92 0.06 0.00 -0.34 0.00 0.00 43.02 40.65 1t61 s PHE 73 CO 0.05 -0.35 0.41 0.00 -1.46 0.00 0.00 175.22 173.87 1t61 n ALA 74 N 3.96 -1.02 -1.40 11.12 0.00 -1.26 -4.86 120.51 127.05 1t61 n ALA 74 Ca -0.18 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1t61 n ALA 74 Cb 0.52 -2.60 0.20 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.21 2.24 0.00 0.00 7.64 -1.26 -4.85 113.62 115.18 1t61 n SER 75 Ca -0.04 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.22 1t61 n SER 75 Cb 0.55 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.14 0.00 -2.81 1.43 0.63 -1.26 -5.09 116.66 108.43 1t61 n ARG 76 Ca 0.22 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.05 1t61 n ARG 76 Cb 0.79 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.75 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 -0.17 -4.98 6.15 5.03 -1.26 -4.95 115.26 115.08 1t61 n ASN 77 Ca 0.00 -2.88 -0.20 0.00 0.87 0.00 0.00 54.58 52.37 1t61 n ASN 77 Cb 0.00 0.25 0.02 0.00 -1.02 0.00 0.00 39.78 39.03 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 -2.17 5.54 0.21 6.41 -0.00 -1.26 -4.89 116.67 120.51 1t61 s ASP 78 Ca 0.28 -0.10 0.06 0.00 -0.00 0.00 0.00 52.55 52.79 1t61 s ASP 78 Cb 0.39 -0.96 -0.05 0.00 -0.00 0.00 0.00 42.92 42.31 1t61 s ASP 78 CO -0.04 -0.89 -0.10 -0.31 -0.00 0.00 0.00 175.17 173.84 1t61 s TYR 79 N -2.55 1.61 -0.00 4.23 1.51 -0.41 -1.42 117.35 120.31 1t61 s TYR 79 Ca 0.54 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1t61 s TYR 79 Cb -0.10 -0.83 -0.00 0.00 -0.11 0.00 0.00 41.96 40.92 1t61 s TYR 79 CO 0.36 0.21 0.02 -1.54 -1.11 0.00 0.00 175.55 173.48 1t61 s SER 80 N -3.30 0.01 -0.05 2.29 1.04 -0.62 -1.36 113.70 111.71 1t61 s SER 80 Ca 0.23 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.67 1t61 s SER 80 Cb 0.02 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 1t61 s SER 80 CO 0.06 -0.05 -0.17 -0.31 0.98 0.00 0.00 173.24 173.75 1t61 s TYR 81 N -0.19 1.76 0.05 5.02 2.02 0.81 -0.53 117.35 126.29 1t61 s TYR 81 Ca -0.02 -0.54 0.05 0.00 -0.37 0.00 0.00 57.07 56.19 1t61 s TYR 81 Cb -0.01 -1.19 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1t61 s TYR 81 CO -0.00 -0.20 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.05 1t61 s TRP 82 N 0.14 1.26 0.44 2.71 0.52 -0.92 -0.56 118.94 122.53 1t61 s TRP 82 Ca -0.06 -0.40 -0.25 0.00 0.02 0.00 0.00 56.10 55.41 1t61 s TRP 82 Cb -0.13 -0.73 -0.08 0.00 -1.15 0.00 0.00 33.47 31.38 1t61 s TRP 82 CO 0.03 0.05 1.37 -0.51 0.02 0.00 0.00 176.95 177.91 1t61 s LEU 83 N -1.39 4.13 0.49 2.99 1.43 -0.45 -0.67 118.68 125.20 1t61 s LEU 83 Ca 0.01 2.79 0.06 0.00 -1.03 0.00 0.00 54.13 55.95 1t61 s LEU 83 Cb -0.09 -3.96 -0.00 0.00 0.03 0.00 0.00 46.19 42.17 1t61 s LEU 83 CO 0.02 -1.07 0.28 -0.94 0.23 0.00 0.00 176.35 174.87 1t61 s SER 84 N -0.66 4.54 0.58 2.29 1.04 0.30 -1.06 113.70 120.74 1t61 s SER 84 Ca 0.60 -1.20 0.08 0.00 0.48 0.00 0.00 55.95 55.91 1t61 s SER 84 Cb -0.41 0.07 0.08 0.00 0.10 0.00 0.00 66.02 65.86 1t61 s SER 84 CO 0.52 -0.86 0.68 0.42 0.98 0.00 0.00 173.24 174.97 1t61 s THR 85 N -2.71 1.89 -1.65 2.02 -4.23 -0.62 -4.51 115.64 105.83 1t61 s THR 85 Ca 0.34 -1.17 0.19 0.00 -1.18 0.00 0.00 61.69 59.87 1t61 s THR 85 Cb -0.00 -2.06 0.42 0.00 1.34 0.00 0.00 72.50 72.20 1t61 s THR 85 CO 0.20 0.00 1.58 -2.65 -0.54 0.00 0.00 174.62 173.21 1t61 n PRO 86 N -2.12 0.41 -1.68 3.99 -0.02 -1.26 -4.84 135.00 129.49 1t61 n PRO 86 Ca 0.10 0.07 -0.55 0.00 -2.02 0.00 0.00 63.50 61.10 1t61 n PRO 86 Cb 0.63 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.54 1t61 n PRO 86 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1t61 n GLU 87 N -1.17 1.33 -1.77 -0.52 4.07 -1.26 -4.89 120.64 116.42 1t61 n GLU 87 Ca 0.11 0.49 -0.34 0.00 -0.06 0.00 0.00 57.16 57.36 1t61 n GLU 87 Cb 0.12 -2.19 0.05 0.00 -0.06 0.00 0.00 31.44 29.36 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 2.82 2.75 0.27 5.31 0.04 -1.26 -4.97 135.00 139.96 1t61 s PRO 88 Ca 0.94 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 1t61 s PRO 88 Cb -0.98 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 1t61 s PRO 88 CO 0.58 -1.31 1.37 1.41 0.04 0.00 0.00 177.00 179.09 1t61 s MET 89 N -3.91 4.32 0.32 4.56 -2.45 -1.26 -4.92 119.30 115.96 1t61 s MET 89 Ca 0.70 2.23 -0.26 0.00 -1.25 0.00 0.00 55.69 57.11 1t61 s MET 89 Cb -0.23 -3.11 -0.14 0.00 1.25 0.00 0.00 34.83 32.60 1t61 s MET 89 CO 0.40 -0.31 0.74 -2.30 1.05 0.00 0.00 175.02 174.60 1t61 n PRO 90 N 1.88 0.79 -0.05 4.11 -0.02 -1.26 -4.84 135.00 135.60 1t61 n PRO 90 Ca 0.04 0.28 0.06 0.00 -2.02 0.00 0.00 63.50 61.86 1t61 n PRO 90 Cb 0.41 -1.55 0.43 0.00 -0.02 0.00 0.00 33.50 32.77 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 1.35 0.55 0.00 -0.52 2.86 -1.96 0.14 114.93 117.35 1t61 h MET 91 Ca -0.37 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.18 1t61 h MET 91 Cb 1.38 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1t61 h MET 91 CO 0.57 0.36 -0.27 0.66 1.06 0.00 0.00 176.91 179.28 1t61 h SER 92 N 0.57 0.00 -0.18 1.22 4.64 -2.03 -3.46 113.55 114.31 1t61 h SER 92 Ca 0.21 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.45 1t61 h SER 92 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1t61 h SER 92 CO -0.05 0.27 -0.07 0.23 -0.87 0.00 0.00 176.83 176.34 1t61 n MET 93 N -3.56 -1.04 -3.11 4.77 0.00 0.50 -5.00 117.12 109.68 1t61 n MET 93 Ca -0.01 0.48 -0.27 0.00 0.00 0.00 0.00 57.70 57.91 1t61 n MET 93 Cb 0.42 -4.38 -0.02 0.00 0.00 0.00 0.00 33.22 29.24 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 -1.75 3.56 0.55 3.04 0.00 -1.26 -4.99 121.76 120.91 1t61 s ALA 94 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 1t61 s ALA 94 Cb 0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.68 1t61 s ALA 94 CO 0.00 -0.01 0.75 -2.30 0.00 0.00 0.00 175.76 174.19 1t61 n PRO 95 N -1.56 0.76 -3.91 0.00 -0.02 -1.26 -4.84 135.00 124.16 1t61 n PRO 95 Ca -0.02 0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 1t61 n PRO 95 Cb 0.55 -1.90 -0.05 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.57 5.42 0.11 4.25 1.01 0.10 -4.88 121.20 125.64 1t61 s ILE 96 Ca 0.70 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 61.25 1t61 s ILE 96 Cb -0.46 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1t61 s ILE 96 CO 0.52 0.38 -0.03 0.42 0.00 0.00 0.00 174.94 176.23 1t61 s THR 97 N -1.27 0.50 0.00 2.92 -4.23 -1.26 -1.34 115.64 110.97 1t61 s THR 97 Ca 0.25 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1t61 s THR 97 Cb -0.12 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1t61 s THR 97 CO 0.16 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1t61 n GLY 98 N -0.06 2.16 0.33 3.99 0.00 -1.26 -2.18 105.19 108.18 1t61 n GLY 98 Ca -0.10 -0.35 0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.32 114.58 118.27 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 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 1t61 n ASN 100 N -3.31 0.12 0.07 1.42 3.02 -0.92 -2.28 115.26 113.38 1t61 n ASN 100 Ca -0.02 0.53 -0.10 0.00 -0.03 0.00 0.00 54.58 54.97 1t61 n ASN 100 Cb 0.19 -0.56 -0.13 0.00 -0.61 0.00 0.00 39.78 38.68 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 1.59 -0.94 2.41 2.04 -1.13 -3.37 117.51 118.11 1t61 h ILE 101 Ca 0.00 -3.27 0.21 0.00 1.00 0.00 0.00 64.86 62.81 1t61 h ILE 101 Cb 0.24 2.85 -0.12 0.00 -0.74 0.00 0.00 36.82 39.05 1t61 h ILE 101 CO 0.00 0.92 0.50 -0.09 0.00 0.00 0.00 178.15 179.49 1t61 h ARG 102 N 0.02 0.54 0.00 2.37 2.43 -1.62 -0.71 114.38 117.41 1t61 h ARG 102 Ca -0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1t61 h ARG 102 Cb 1.85 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 1t61 h ARG 102 CO 0.15 0.36 0.00 -1.35 -1.51 0.00 0.00 179.97 177.61 1t61 h PRO 103 N 0.55 0.00 0.00 0.20 0.11 -1.78 -2.89 132.00 128.20 1t61 h PRO 103 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1t61 h PRO 103 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1t61 h PRO 103 CO -0.46 0.00 -0.90 1.19 -0.21 0.00 0.00 178.00 177.62 1t61 n PHE 104 N -2.69 0.15 -3.38 0.65 3.01 -0.27 -4.59 117.46 110.34 1t61 n PHE 104 Ca -0.02 0.04 -0.38 0.00 1.01 0.00 0.00 57.45 58.11 1t61 n PHE 104 Cb 0.10 -0.31 -0.07 0.00 -0.01 0.00 0.00 39.48 39.19 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 -3.11 5.21 0.53 4.37 -1.09 -1.09 -1.59 121.20 124.42 1t61 s ILE 105 Ca 0.06 0.79 -0.20 0.00 -2.23 0.00 0.00 60.65 59.08 1t61 s ILE 105 Cb 0.15 -3.75 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 1t61 s ILE 105 CO 0.79 0.30 1.13 -0.55 -1.23 0.00 0.00 174.94 175.38 1t61 s SER 106 N 0.77 5.80 0.25 3.58 0.15 -0.22 -4.39 113.70 119.64 1t61 s SER 106 Ca 0.22 2.18 0.07 0.00 0.70 0.00 0.00 55.95 59.11 1t61 s SER 106 Cb -0.15 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 1t61 s SER 106 CO 0.08 -1.16 0.22 -0.13 1.20 0.00 0.00 173.24 173.45 1t61 s ARG 107 N -3.22 3.00 0.13 5.44 1.81 -0.90 -1.03 118.95 124.18 1t61 s ARG 107 Ca 0.72 -1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 53.67 1t61 s ARG 107 Cb -0.24 -2.61 -0.03 0.00 -0.45 0.00 0.00 34.95 31.62 1t61 s ARG 107 CO 0.27 0.40 0.13 0.00 -0.68 0.00 0.00 175.30 175.43 1t61 s ALA 109 N -4.00 0.56 -0.24 0.00 0.00 0.43 -1.37 121.76 117.14 1t61 s ALA 109 Ca 0.19 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.98 1t61 s ALA 109 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1t61 s ALA 109 CO -0.01 0.04 0.07 0.08 0.00 0.00 0.00 175.76 175.94 1t61 s VAL 110 N 0.54 4.40 0.11 0.00 1.01 -0.44 -0.62 120.40 125.40 1t61 s VAL 110 Ca -0.07 -0.15 0.10 0.00 0.00 0.00 0.00 61.98 61.87 1t61 s VAL 110 Cb -0.10 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1t61 s VAL 110 CO -0.00 0.35 -0.24 0.00 0.00 0.00 0.00 175.10 175.20 1t61 s GLU 112 N -1.92 4.18 0.17 0.00 2.12 0.87 -0.49 118.70 123.63 1t61 s GLU 112 Ca 0.11 -0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.44 1t61 s GLU 112 Cb -0.10 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1t61 s GLU 112 CO 0.05 0.30 0.07 0.00 -0.54 0.00 0.00 175.26 175.14 1t61 s ALA 113 N 0.32 3.39 0.33 6.30 0.00 0.28 -1.85 121.76 130.53 1t61 s ALA 113 Ca 0.12 -1.29 0.12 0.00 0.00 0.00 0.00 51.96 50.91 1t61 s ALA 113 Cb -0.12 -1.18 0.57 0.00 0.00 0.00 0.00 23.12 22.38 1t61 s ALA 113 CO 0.01 0.49 1.74 -1.35 0.00 0.00 0.00 175.76 176.65 1t61 h PRO 114 N 2.54 0.01 0.00 0.00 0.11 -1.86 -3.33 132.00 129.47 1t61 h PRO 114 Ca -0.47 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.36 1t61 h PRO 114 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 1t61 h PRO 114 CO 0.61 0.48 -0.25 0.00 -0.21 0.00 0.00 178.00 178.63 1t61 n ALA 115 N -2.45 0.27 -1.78 -0.75 0.00 -1.26 -4.88 120.51 109.66 1t61 n ALA 115 Ca -0.02 -1.22 -0.41 0.00 0.00 0.00 0.00 53.44 51.79 1t61 n ALA 115 Cb 0.49 0.99 -0.00 0.00 0.00 0.00 0.00 19.45 20.93 1t61 n ALA 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1t61 n MET 116 N -0.41 2.71 -4.52 0.00 0.00 -1.26 -4.76 117.12 108.88 1t61 n MET 116 Ca 0.04 0.95 -0.29 0.00 -0.00 0.00 0.00 57.70 58.40 1t61 n MET 116 Cb 0.39 -2.69 -0.13 0.00 0.00 0.00 0.00 33.22 30.79 1t61 n MET 116 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1t61 s VAL 117 N -1.11 2.20 0.29 1.12 1.01 -1.26 -1.28 120.40 121.36 1t61 s VAL 117 Ca 0.53 -1.65 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 1t61 s VAL 117 Cb -0.47 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1t61 s VAL 117 CO 0.64 0.16 0.61 0.00 0.00 0.00 0.00 175.10 176.51 1t61 s MET 118 N -1.83 1.77 0.09 2.72 0.23 0.23 -4.87 119.30 117.63 1t61 s MET 118 Ca 0.13 -1.22 0.10 0.00 -1.03 0.00 0.00 55.69 53.67 1t61 s MET 118 Cb -0.10 0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1t61 s MET 118 CO 0.05 -0.78 -0.26 0.00 -2.03 0.00 0.00 175.02 172.00 1t61 s ALA 119 N -3.66 2.21 0.08 3.16 0.00 -0.54 -0.21 121.76 122.81 1t61 s ALA 119 Ca 0.18 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1t61 s ALA 119 Cb -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1t61 s ALA 119 CO 0.09 0.51 -0.17 0.14 0.00 0.00 0.00 175.76 176.33 1t61 s VAL 120 N -0.95 1.38 -0.03 0.00 -7.23 -0.57 -4.49 120.40 108.51 1t61 s VAL 120 Ca 0.12 -1.38 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 1t61 s VAL 120 Cb -0.10 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 1t61 s VAL 120 CO 0.04 -0.13 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.51 1t61 s HIS 121 N -1.19 1.79 0.00 2.82 3.76 -1.26 -1.91 115.29 119.31 1t61 s HIS 121 Ca 0.02 -0.44 0.11 0.00 -0.15 0.00 0.00 55.06 54.60 1t61 s HIS 121 Cb -0.10 -1.18 -0.19 0.00 1.11 0.00 0.00 32.58 32.22 1t61 s HIS 121 CO 0.03 -0.11 0.99 0.66 -0.85 0.00 0.00 174.74 175.46 1t61 h SER 122 N 5.97 0.00 -3.24 1.40 4.64 -1.58 -3.48 113.55 117.26 1t61 h SER 122 Ca -0.35 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.61 1t61 h SER 122 Cb 1.16 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1t61 h SER 122 CO 0.48 0.91 -0.49 0.00 -0.87 0.00 0.00 176.83 176.86 1t61 n GLN 123 N -3.16 -2.85 -4.01 4.77 6.02 -1.26 -4.95 117.38 111.94 1t61 n GLN 123 Ca -0.08 0.83 -0.11 0.00 -0.01 0.00 0.00 57.00 57.63 1t61 n GLN 123 Cb 0.96 -5.38 -0.04 0.00 1.02 0.00 0.00 30.24 26.80 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 -3.00 0.00 -1.93 5.09 -4.23 -1.26 -0.82 115.64 109.49 1t61 s THR 124 Ca 0.13 -1.42 0.31 0.00 -1.18 0.00 0.00 61.69 59.53 1t61 s THR 124 Cb -0.06 -2.48 0.81 0.00 1.34 0.00 0.00 72.50 72.12 1t61 s THR 124 CO 0.16 0.00 2.16 2.30 -0.54 0.00 0.00 174.62 178.70 1t61 n ILE 125 N -0.47 0.00 -3.71 2.99 -5.35 -1.26 -2.21 119.36 109.34 1t61 n ILE 125 Ca -0.02 -0.02 -0.33 0.00 -0.27 0.00 0.00 62.75 62.12 1t61 n ILE 125 Cb 0.61 -0.42 -0.05 0.00 -1.74 0.00 0.00 39.64 38.05 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 -2.10 3.60 0.07 6.28 -1.52 -1.26 -4.83 119.66 119.90 1t61 s GLN 126 Ca 0.44 -0.10 -0.31 0.00 -1.95 0.00 0.00 55.36 53.44 1t61 s GLN 126 Cb 0.22 -2.95 -0.07 0.00 -0.22 0.00 0.00 33.01 29.99 1t61 s GLN 126 CO 0.39 0.54 1.35 0.42 -0.25 0.00 0.00 175.29 177.73 1t61 s ILE 127 N -1.52 3.60 0.28 1.08 -1.09 -1.26 -4.46 121.20 117.83 1t61 s ILE 127 Ca 0.36 1.11 -0.29 0.00 -2.23 0.00 0.00 60.65 59.60 1t61 s ILE 127 Cb -0.13 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 1t61 s ILE 127 CO 0.22 0.06 1.05 -2.16 -1.23 0.00 0.00 174.94 172.88 1t61 s PRO 128 N 1.48 4.65 0.58 2.79 0.04 -1.26 -5.01 135.00 138.27 1t61 s PRO 128 Ca 0.63 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 63.17 1t61 s PRO 128 Cb -0.33 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1t61 s PRO 128 CO 0.29 0.26 1.09 -0.65 0.04 0.00 0.00 177.00 178.02 1t61 s GLN 129 N -1.51 3.27 0.50 4.56 -0.21 -1.26 -4.56 119.66 120.45 1t61 s GLN 129 Ca 0.45 1.38 -0.20 0.00 0.02 0.00 0.00 55.36 57.01 1t61 s GLN 129 Cb -0.29 -2.01 -0.07 0.00 1.00 0.00 0.00 33.01 31.63 1t61 s GLN 129 CO 0.37 -0.87 1.08 0.00 -2.12 0.00 0.00 175.29 173.74 1t61 s PRO 131 N -3.19 1.72 0.15 0.00 0.02 -1.26 -4.84 135.00 127.61 1t61 s PRO 131 Ca 0.69 1.73 -0.32 0.00 0.02 0.00 0.00 61.00 63.11 1t61 s PRO 131 Cb -0.20 -1.79 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 1t61 s PRO 131 CO 0.24 -2.15 1.75 2.41 -0.33 0.00 0.00 177.00 178.92 1t61 n THR 132 N -3.24 0.18 -0.11 0.99 -1.04 -1.26 -1.44 114.28 108.36 1t61 n THR 132 Ca 0.13 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1t61 n THR 132 Cb 0.51 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 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 4.00 0.59 3.37 3.41 0.00 -1.26 -5.07 105.19 110.23 1t61 n GLY 133 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.20 2.42 0.11 1.61 0.52 -0.52 -4.59 118.94 116.30 1t61 s TRP 134 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.80 1t61 s TRP 134 Cb 0.00 -1.48 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 1t61 s TRP 134 CO 0.00 0.09 0.09 -1.54 0.02 0.00 0.00 176.95 175.61 1t61 s SER 135 N -0.94 5.45 0.31 2.95 1.04 0.12 -4.69 113.70 117.94 1t61 s SER 135 Ca 0.11 -0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.18 1t61 s SER 135 Cb -0.10 -1.42 -0.09 0.00 0.10 0.00 0.00 66.02 64.50 1t61 s SER 135 CO 0.01 0.13 1.11 -0.55 0.98 0.00 0.00 173.24 174.93 1t61 s SER 136 N -2.66 7.10 -0.09 7.02 0.15 -1.26 -0.23 113.70 123.74 1t61 s SER 136 Ca 0.29 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.22 1t61 s SER 136 Cb -0.11 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.52 1t61 s SER 136 CO 0.22 -0.26 -0.08 0.18 1.20 0.00 0.00 173.24 174.50 1t61 n LEU 137 N 0.90 2.84 -3.61 3.45 4.77 0.76 -4.86 117.00 121.25 1t61 n LEU 137 Ca 0.00 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 1t61 n LEU 137 Cb 0.45 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1t61 n LEU 137 CO 0.53 0.62 1.04 -1.66 -1.33 0.00 0.00 177.39 176.59 1t61 s TRP 138 N -2.18 -0.09 0.31 -1.77 -2.14 -1.18 -4.78 118.94 107.12 1t61 s TRP 138 Ca -0.12 0.02 0.11 0.00 2.66 0.00 0.00 56.10 58.77 1t61 s TRP 138 Cb 0.03 0.53 -0.06 0.00 -3.10 0.00 0.00 33.47 30.87 1t61 s TRP 138 CO 0.20 -0.22 -0.15 0.96 -2.66 0.00 0.00 176.95 175.08 1t61 s ILE 139 N -2.40 2.36 0.00 0.66 -4.36 -1.26 -0.38 121.20 115.82 1t61 s ILE 139 Ca 0.11 -2.32 0.00 0.00 -0.26 0.00 0.00 60.65 58.19 1t61 s ILE 139 Cb 0.01 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.27 1t61 s ILE 139 CO -0.04 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 175.43 1t61 n GLY 140 N -0.69 1.35 3.39 6.27 0.00 -0.41 -4.32 105.19 110.78 1t61 n GLY 140 Ca -0.05 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.30 2.46 -0.78 1.61 1.51 0.18 -1.37 117.35 119.66 1t61 s TYR 141 Ca 0.00 -0.33 -0.25 0.00 -1.01 0.00 0.00 57.07 55.48 1t61 s TYR 141 Cb 0.00 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1t61 s TYR 141 CO 0.00 0.14 1.91 -1.12 -1.11 0.00 0.00 175.55 175.36 1t61 s SER 142 N -1.07 5.20 -0.27 2.29 0.01 -0.57 -1.60 113.70 117.69 1t61 s SER 142 Ca 0.12 -0.26 -0.15 0.00 1.31 0.00 0.00 55.95 56.96 1t61 s SER 142 Cb -0.10 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1t61 s SER 142 CO 0.02 -2.59 0.40 0.12 0.41 0.00 0.00 173.24 171.60 1t61 s PHE 143 N 9.63 3.25 -0.09 2.43 5.36 -0.10 -1.28 117.98 137.18 1t61 s PHE 143 Ca 0.69 0.43 0.02 0.00 -0.96 0.00 0.00 56.93 57.11 1t61 s PHE 143 Cb -0.09 -2.60 -0.07 0.00 -0.34 0.00 0.00 43.02 39.91 1t61 s PHE 143 CO 0.08 -0.25 -0.06 1.55 -1.46 0.00 0.00 175.22 175.08 1t61 n VAL 144 N 5.13 0.56 -3.83 3.12 3.14 -0.35 -4.32 118.33 121.78 1t61 n VAL 144 Ca -0.08 -0.24 -0.07 0.00 -2.96 0.00 0.00 64.34 60.99 1t61 n VAL 144 Cb 0.50 -0.84 0.02 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 -2.19 1.96 0.13 1.45 0.23 -1.12 -0.31 119.30 119.46 1t61 s MET 145 Ca -0.11 -1.24 -0.22 0.00 -1.03 0.00 0.00 55.69 53.09 1t61 s MET 145 Cb 0.03 0.57 0.06 0.00 -1.53 0.00 0.00 34.83 33.96 1t61 s MET 145 CO 0.25 -0.92 0.57 -3.38 -2.03 0.00 0.00 175.02 169.51 1t61 s HIS 146 N -2.54 -0.49 0.05 3.16 -3.43 -0.58 -0.14 115.29 111.32 1t61 s HIS 146 Ca 0.16 0.32 -0.07 0.00 -0.80 0.00 0.00 55.06 54.67 1t61 s HIS 146 Cb -0.05 0.49 -0.01 0.00 -1.43 0.00 0.00 32.58 31.59 1t61 s HIS 146 CO 0.09 -0.80 0.15 0.95 -2.00 0.00 0.00 174.74 173.13 1t61 s THR 147 N -3.52 0.13 0.00 -5.38 -4.23 -0.74 -2.84 115.64 99.06 1t61 s THR 147 Ca 0.00 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1t61 s THR 147 Cb -0.00 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1t61 s THR 147 CO -0.11 -0.59 0.00 -0.24 -0.54 0.00 0.00 174.62 173.14 1t61 n SER 148 N 0.54 0.00 -4.60 3.99 2.88 -0.38 -0.75 113.62 115.30 1t61 n SER 148 Ca -0.18 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 56.85 1t61 n SER 148 Cb 0.60 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 1t61 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t61 n ALA 149 N -3.00 -0.57 -1.20 -1.46 0.00 -1.26 -0.53 120.51 112.49 1t61 n ALA 149 Ca 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 53.44 53.87 1t61 n ALA 149 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 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 2.60 0.73 2.48 0.00 0.00 -1.26 -2.07 105.19 107.67 1t61 n GLY 150 Ca 0.18 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 1.13 -0.36 -2.24 4.61 0.00 0.31 -4.99 120.51 118.96 1t61 n ALA 151 Ca -0.07 0.25 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 1t61 n ALA 151 Cb 0.48 -1.92 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 -3.98 3.28 0.00 0.00 0.41 -0.88 -4.72 118.70 112.81 1t61 s GLU 152 Ca 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.57 1t61 s GLU 152 Cb 0.00 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 1t61 s GLU 152 CO 0.00 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 174.83 1t61 n GLY 153 N -2.31 -0.58 0.16 -1.39 0.00 -1.26 -1.24 105.19 98.56 1t61 n GLY 153 Ca 0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 1t61 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t61 n SER 154 N 0.09 -0.09 -1.15 1.61 3.41 -1.13 -4.69 113.62 111.67 1t61 n SER 154 Ca 0.00 -1.07 -0.01 0.00 -0.26 0.00 0.00 58.87 57.53 1t61 n SER 154 Cb 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.02 2.10 3.56 5.00 0.00 -1.26 -1.53 105.19 113.03 1t61 n GLY 155 Ca -0.00 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 1t61 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t61 s GLN 156 N -2.02 2.02 0.11 1.61 -1.52 0.58 -4.77 119.66 115.67 1t61 s GLN 156 Ca 0.01 -1.27 -0.30 0.00 -1.95 0.00 0.00 55.36 51.86 1t61 s GLN 156 Cb -0.00 -2.15 -0.06 0.00 -0.22 0.00 0.00 33.01 30.58 1t61 s GLN 156 CO 0.01 0.44 1.02 0.00 -0.25 0.00 0.00 175.29 176.51 1t61 s ALA 157 N -1.66 3.28 -1.23 6.09 0.00 -1.26 -4.88 121.76 122.10 1t61 s ALA 157 Ca 0.24 0.66 0.12 0.00 0.00 0.00 0.00 51.96 52.98 1t61 s ALA 157 Cb -0.09 -3.32 0.57 0.00 0.00 0.00 0.00 23.12 20.28 1t61 s ALA 157 CO 0.15 -0.14 1.34 1.28 0.00 0.00 0.00 175.76 178.39 1t61 n LEU 158 N 2.93 0.00 -0.63 0.00 4.77 -1.26 -1.41 117.00 121.40 1t61 n LEU 158 Ca 0.04 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 1t61 n LEU 158 Cb 0.48 -0.38 0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1t61 n LEU 158 CO 0.52 -0.23 0.52 0.00 -1.33 0.00 0.00 177.39 176.88 1t61 n ALA 159 N -1.38 2.42 -2.29 -1.18 0.00 -1.26 -4.65 120.51 112.16 1t61 n ALA 159 Ca 0.04 -0.75 -0.35 0.00 0.00 0.00 0.00 53.44 52.39 1t61 n ALA 159 Cb 0.12 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 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 6.83 0.64 0.00 0.15 -0.50 -1.46 113.70 118.22 1t61 s SER 160 Ca 0.20 1.14 0.42 0.00 0.70 0.00 0.00 55.95 58.40 1t61 s SER 160 Cb 0.13 -2.31 2.19 0.00 -1.71 0.00 0.00 66.02 64.32 1t61 s SER 160 CO 0.18 0.03 2.29 -0.65 1.20 0.00 0.00 173.24 176.30 1t61 h PRO 161 N 3.23 0.00 0.00 5.44 0.11 -1.86 -1.18 132.00 137.74 1t61 h PRO 161 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1t61 h PRO 161 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1t61 h PRO 161 CO 0.66 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.24 1t61 h GLY 162 N 0.39 0.00 -1.20 -0.55 0.00 -1.86 -1.26 103.07 98.59 1t61 h GLY 162 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t61 h GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t61 n SER 163 N -2.96 1.76 -3.75 0.19 3.41 -0.45 -4.61 113.62 107.21 1t61 n SER 163 Ca -0.01 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.32 1t61 n SER 163 Cb 0.18 -0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.57 4.34 0.40 0.00 1.43 -0.63 -4.75 118.68 120.03 1t61 s LEU 165 Ca 0.16 1.22 0.17 0.00 -1.03 0.00 0.00 54.13 54.65 1t61 s LEU 165 Cb -0.23 -3.09 0.86 0.00 0.03 0.00 0.00 46.19 43.75 1t61 s LEU 165 CO -0.04 -0.09 1.85 -0.33 0.23 0.00 0.00 176.35 177.97 1t61 h GLU 166 N 6.57 0.00 -5.01 1.70 5.08 -1.87 0.51 114.58 121.55 1t61 h GLU 166 Ca -0.42 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.28 1t61 h GLU 166 Cb 1.20 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.12 1t61 h GLU 166 CO 0.74 0.32 -0.80 -2.00 -1.00 0.00 0.00 179.01 176.28 1t61 s GLU 167 N -4.04 3.07 0.21 2.33 2.56 -1.26 -4.66 118.70 116.90 1t61 s GLU 167 Ca -0.02 -0.80 -0.30 0.00 0.00 0.00 0.00 54.97 53.85 1t61 s GLU 167 Cb 0.13 -2.77 -0.08 0.00 2.00 0.00 0.00 34.13 33.41 1t61 s GLU 167 CO 0.69 -0.24 1.13 0.12 -0.56 0.00 0.00 175.26 176.40 1t61 s PHE 168 N 1.35 3.53 -0.08 5.30 2.19 -1.26 -4.95 117.98 124.05 1t61 s PHE 168 Ca 0.04 1.57 -0.05 0.00 0.33 0.00 0.00 56.93 58.82 1t61 s PHE 168 Cb -0.14 -3.33 0.04 0.00 -1.31 0.00 0.00 43.02 38.27 1t61 s PHE 168 CO -0.09 -0.80 0.19 1.03 1.83 0.00 0.00 175.22 177.39 1t61 s ARG 169 N -0.61 0.17 0.37 10.12 1.81 -1.26 -5.01 118.95 124.54 1t61 s ARG 169 Ca 0.49 0.40 0.14 0.00 -1.72 0.00 0.00 55.73 55.04 1t61 s ARG 169 Cb -0.31 -0.08 0.73 0.00 -0.45 0.00 0.00 34.95 34.84 1t61 s ARG 169 CO 0.37 -0.12 1.81 0.66 -0.68 0.00 0.00 175.30 177.34 1t61 h SER 170 N 6.83 0.00 -2.95 0.23 4.64 -1.99 -3.30 113.55 117.01 1t61 h SER 170 Ca -0.37 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.34 1t61 h SER 170 Cb 1.16 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.84 1t61 h SER 170 CO 0.40 0.38 -0.68 0.00 -0.87 0.00 0.00 176.83 176.06 1t61 s ALA 171 N -4.05 3.17 -1.43 5.18 0.00 -1.26 -4.46 121.76 118.92 1t61 s ALA 171 Ca -0.02 -3.46 0.29 0.00 0.00 0.00 0.00 51.96 48.77 1t61 s ALA 171 Cb 0.14 -2.02 1.48 0.00 0.00 0.00 0.00 23.12 22.72 1t61 s ALA 171 CO 0.71 -2.06 2.02 -0.35 0.00 0.00 0.00 175.76 176.08 1t61 n PRO 172 N 2.24 0.42 -4.02 0.00 -0.04 -1.24 -4.84 135.00 127.51 1t61 n PRO 172 Ca 0.22 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1t61 n PRO 172 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.57 0.36 0.15 0.54 -0.71 -1.26 -0.54 117.98 113.95 1t61 s PHE 173 Ca 0.28 -0.75 0.09 0.00 -1.04 0.00 0.00 56.93 55.51 1t61 s PHE 173 Cb 0.20 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1t61 s PHE 173 CO 0.45 -0.29 -0.17 -1.50 -1.34 0.00 0.00 175.22 172.37 1t61 s ILE 174 N -2.63 2.84 -0.18 -4.49 2.07 0.15 -4.80 121.20 114.15 1t61 s ILE 174 Ca -0.05 -1.64 -0.07 0.00 -1.41 0.00 0.00 60.65 57.49 1t61 s ILE 174 Cb -0.01 -2.34 -0.04 0.00 0.13 0.00 0.00 42.46 40.20 1t61 s ILE 174 CO -0.05 0.01 0.04 -0.70 -1.91 0.00 0.00 174.94 172.33 1t61 s GLU 175 N -2.40 3.88 0.26 3.50 2.12 -0.90 -2.16 118.70 122.99 1t61 s GLU 175 Ca 0.20 -0.39 0.11 0.00 0.36 0.00 0.00 54.97 55.25 1t61 s GLU 175 Cb -0.10 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1t61 s GLU 175 CO 0.11 0.23 -0.20 0.00 -0.54 0.00 0.00 175.26 174.87 1t61 s HIS 177 N -2.47 1.54 0.52 0.00 0.09 0.94 -1.59 115.29 114.32 1t61 s HIS 177 Ca 0.28 -0.57 0.24 0.00 -0.00 0.00 0.00 55.06 55.01 1t61 s HIS 177 Cb -0.05 -0.77 1.36 0.00 -0.00 0.00 0.00 32.58 33.12 1t61 s HIS 177 CO 0.13 0.23 2.00 0.78 -0.00 0.00 0.00 174.74 177.87 1t61 h GLY 178 N 3.14 0.06 1.52 -2.22 0.00 -1.42 0.16 103.07 104.30 1t61 h GLY 178 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1t61 h GLY 178 CO 0.55 0.01 0.00 -0.96 0.00 0.00 0.00 176.54 176.14 1t61 n ARG 179 N -4.39 0.26 -0.05 4.80 1.85 -1.26 -4.81 116.66 113.06 1t61 n ARG 179 Ca 0.10 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 57.07 1t61 n ARG 179 Cb 0.58 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 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 0.09 0.78 3.93 2.89 0.00 0.54 -5.09 105.19 108.33 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 -2.04 5.14 0.03 2.61 -4.23 -1.24 -4.17 115.64 111.74 1t61 s THR 181 Ca 0.00 -0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1t61 s THR 181 Cb 0.00 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 1t61 s THR 181 CO 0.00 -0.20 0.10 0.00 -0.54 0.00 0.00 174.62 173.98 1t61 s ASN 183 N -1.94 -0.07 0.04 0.00 2.47 0.20 0.00 114.94 115.65 1t61 s ASN 183 Ca -0.08 -0.11 -0.05 0.00 0.42 0.00 0.00 52.86 53.05 1t61 s ASN 183 Cb -0.03 0.15 -0.05 0.00 -1.45 0.00 0.00 41.25 39.87 1t61 s ASN 183 CO -0.03 -0.27 0.28 -0.31 -3.72 0.00 0.00 177.10 173.06 1t61 s TYR 184 N -2.39 3.55 0.08 0.43 1.51 -1.26 -2.12 117.35 117.14 1t61 s TYR 184 Ca 0.13 0.53 0.05 0.00 -1.01 0.00 0.00 57.07 56.77 1t61 s TYR 184 Cb 0.04 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 1t61 s TYR 184 CO -0.04 0.57 -0.15 0.71 -1.11 0.00 0.00 175.55 175.53 1t61 s TYR 185 N -1.41 1.28 0.59 2.71 1.51 -1.26 -5.04 117.35 115.74 1t61 s TYR 185 Ca 0.31 -0.47 0.29 0.00 -1.01 0.00 0.00 57.07 56.19 1t61 s TYR 185 Cb -0.13 -0.71 1.67 0.00 -0.11 0.00 0.00 41.96 42.68 1t61 s TYR 185 CO 0.20 0.08 2.11 0.00 -1.11 0.00 0.00 175.55 176.83 1t61 h ALA 186 N 4.17 1.78 -0.51 3.71 0.00 -2.03 -1.61 119.26 124.76 1t61 h ALA 186 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 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 0.41 -0.27 0.00 0.27 0.00 0.00 0.00 179.25 179.66 1t61 n ASN 187 N -3.80 3.45 -4.56 0.00 6.94 -1.26 -4.80 115.26 111.23 1t61 n ASN 187 Ca 0.01 -2.22 -0.42 0.00 -0.02 0.00 0.00 54.58 51.94 1t61 n ASN 187 Cb 0.31 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.24 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 -1.59 2.87 -0.12 -2.53 0.00 -0.61 -4.16 121.76 115.62 1t61 s ALA 188 Ca 0.38 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 1t61 s ALA 188 Cb 0.23 -4.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1t61 s ALA 188 CO 0.21 -3.00 0.05 0.71 0.00 0.00 0.00 175.76 173.73 1t61 s TYR 189 N 5.33 3.30 -0.12 0.00 4.12 0.07 -4.94 117.35 125.11 1t61 s TYR 189 Ca 0.38 0.25 0.01 0.00 0.02 0.00 0.00 57.07 57.72 1t61 s TYR 189 Cb -0.08 -1.90 -0.01 0.00 -1.52 0.00 0.00 41.96 38.44 1t61 s TYR 189 CO 0.19 0.46 -0.14 -1.54 0.02 0.00 0.00 175.55 174.54 1t61 s SER 190 N -0.60 3.91 -0.13 2.29 1.04 -1.26 -1.79 113.70 117.16 1t61 s SER 190 Ca 0.11 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.16 1t61 s SER 190 Cb -0.12 -1.55 -0.03 0.00 0.10 0.00 0.00 66.02 64.42 1t61 s SER 190 CO 0.02 0.17 -0.03 -0.36 0.98 0.00 0.00 173.24 174.02 1t61 s PHE 191 N 0.30 3.03 0.10 5.02 0.40 0.81 -4.99 117.98 122.65 1t61 s PHE 191 Ca -0.11 -0.17 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 1t61 s PHE 191 Cb -0.16 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 1t61 s PHE 191 CO 0.06 0.10 -0.17 -1.58 0.70 0.00 0.00 175.22 174.32 1t61 s TRP 192 N 0.01 1.52 0.30 0.36 0.52 -1.26 -1.21 118.94 119.17 1t61 s TRP 192 Ca 0.01 -0.46 -0.29 0.00 0.02 0.00 0.00 56.10 55.37 1t61 s TRP 192 Cb -0.13 -0.82 -0.10 0.00 -1.15 0.00 0.00 33.47 31.26 1t61 s TRP 192 CO 0.03 0.15 1.40 -1.17 0.02 0.00 0.00 176.95 177.38 1t61 s LEU 193 N -2.03 4.39 0.37 2.99 2.96 -0.40 -4.89 118.68 122.07 1t61 s LEU 193 Ca 0.05 2.73 0.03 0.00 -0.22 0.00 0.00 54.13 56.72 1t61 s LEU 193 Cb -0.09 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1t61 s LEU 193 CO 0.04 -0.67 0.55 0.00 -1.32 0.00 0.00 176.35 174.94 1t61 s ALA 194 N -0.55 3.94 0.18 5.97 0.00 -1.26 -1.17 121.76 128.85 1t61 s ALA 194 Ca 0.55 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1t61 s ALA 194 Cb -0.42 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 20.70 1t61 s ALA 194 CO 0.49 -0.13 0.90 0.95 0.00 0.00 0.00 175.76 177.97 1t61 s THR 195 N -2.32 4.30 -0.10 0.00 -4.23 -0.40 -4.49 115.64 108.39 1t61 s THR 195 Ca 0.44 1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 62.91 1t61 s THR 195 Cb -0.10 -4.27 0.03 0.00 1.34 0.00 0.00 72.50 69.50 1t61 s THR 195 CO 0.34 0.45 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.20 1t61 s ILE 196 N -0.77 0.74 0.26 2.99 1.01 0.00 -4.95 121.20 120.48 1t61 s ILE 196 Ca 0.41 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 1t61 s ILE 196 Cb -0.24 -0.84 -0.09 0.00 0.01 0.00 0.00 42.46 41.29 1t61 s ILE 196 CO 0.30 0.30 1.16 -1.61 0.00 0.00 0.00 174.94 175.08 1t61 s GLU 197 N 1.82 4.55 0.40 2.79 2.02 -1.26 -4.83 118.70 124.19 1t61 s GLU 197 Ca 0.05 1.88 0.11 0.00 0.02 0.00 0.00 54.97 57.03 1t61 s GLU 197 Cb -0.13 -3.19 0.91 0.00 0.10 0.00 0.00 34.13 31.82 1t61 s GLU 197 CO -0.07 0.06 1.96 -0.09 0.02 0.00 0.00 175.26 177.14 1t61 h ARG 198 N 4.20 0.54 0.00 1.61 2.43 -1.99 -0.06 114.38 121.11 1t61 h ARG 198 Ca -0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1t61 h ARG 198 Cb 1.21 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1t61 h ARG 198 CO 0.69 0.36 0.00 0.66 -1.51 0.00 0.00 179.97 180.17 1t61 h SER 199 N 0.56 0.00 -0.08 -3.80 4.64 -2.04 -3.03 113.55 109.80 1t61 h SER 199 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1t61 h SER 199 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1t61 h SER 199 CO -0.10 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.24 1t61 n GLU 200 N -2.79 2.28 -0.24 4.77 -0.58 -0.05 -4.53 120.64 119.50 1t61 n GLU 200 Ca 0.02 -1.87 0.04 0.00 -0.42 0.00 0.00 57.16 54.93 1t61 n GLU 200 Cb 0.31 -1.47 0.17 0.00 -0.57 0.00 0.00 31.44 29.88 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 4.40 0.30 -1.54 3.49 2.86 -1.39 -2.03 114.93 121.01 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 0.94 -0.07 -0.37 0.00 0.06 0.00 0.00 31.60 32.16 1t61 h MET 201 CO 0.00 0.20 -0.09 1.19 1.06 0.00 0.00 176.91 179.26 1t61 n PHE 202 N -5.11 3.20 -4.11 -0.22 3.01 -1.26 -4.96 117.46 108.00 1t61 n PHE 202 Ca 0.13 -2.77 -0.15 0.00 1.01 0.00 0.00 57.45 55.67 1t61 n PHE 202 Cb 0.42 -0.54 -0.11 0.00 -0.01 0.00 0.00 39.48 39.24 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 -3.73 0.67 0.17 -1.08 -0.14 -0.77 -5.11 119.74 109.75 1t61 s LYS 203 Ca 0.51 -0.90 -0.33 0.00 -1.36 0.00 0.00 55.97 53.89 1t61 s LYS 203 Cb 0.42 -0.48 -0.13 0.00 -1.68 0.00 0.00 37.83 35.97 1t61 s LYS 203 CO -0.22 0.09 1.68 1.17 -0.76 0.00 0.00 175.35 177.31 1t61 n LYS 204 N 1.22 2.50 -1.69 1.68 4.81 -1.26 -4.91 118.16 120.51 1t61 n LYS 204 Ca -0.21 0.90 -0.39 0.00 -0.87 0.00 0.00 58.31 57.75 1t61 n LYS 204 Cb 0.55 -2.72 0.04 0.00 0.02 0.00 0.00 35.03 32.92 1t61 n LYS 204 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t61 n PRO 205 N 3.98 1.47 -3.39 1.64 -0.02 -1.26 -4.97 135.00 132.45 1t61 n PRO 205 Ca 0.17 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1t61 n PRO 205 Cb 0.32 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 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 -1.33 5.15 0.49 3.45 2.01 -1.26 -5.05 115.64 119.10 1t61 s THR 206 Ca 0.71 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.52 1t61 s THR 206 Cb -0.44 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 1t61 s THR 206 CO 0.50 -0.12 1.40 -2.84 -0.69 0.00 0.00 174.62 172.87 1t61 s PRO 207 N 2.05 3.47 -0.07 4.92 0.02 -1.26 -5.03 135.00 139.10 1t61 s PRO 207 Ca 0.12 2.34 -0.05 0.00 0.02 0.00 0.00 61.00 63.43 1t61 s PRO 207 Cb -0.16 -2.49 0.03 0.00 0.02 0.00 0.00 34.50 31.89 1t61 s PRO 207 CO 0.12 -0.96 0.17 -1.12 -0.33 0.00 0.00 177.00 174.87 1t61 s SER 208 N -0.70 -0.16 -0.23 2.53 0.01 -1.26 -5.12 113.70 108.77 1t61 s SER 208 Ca 0.65 0.34 0.01 0.00 1.31 0.00 0.00 55.95 58.26 1t61 s SER 208 Cb -0.42 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.14 1t61 s SER 208 CO 0.53 -0.09 -0.12 -0.89 0.41 0.00 0.00 173.24 173.07 1t61 s THR 209 N 0.50 2.40 -0.09 1.44 2.01 -1.26 -5.11 115.64 115.54 1t61 s THR 209 Ca -0.03 -1.17 -0.01 0.00 0.31 0.00 0.00 61.69 60.79 1t61 s THR 209 Cb -0.05 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1t61 s THR 209 CO -0.02 0.25 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.35 1t61 s LEU 210 N 1.25 3.31 0.43 4.42 1.43 -1.26 -5.10 118.68 123.15 1t61 s LEU 210 Ca -0.01 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1t61 s LEU 210 Cb -0.16 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1t61 s LEU 210 CO -0.07 0.34 0.11 -0.54 0.23 0.00 0.00 176.35 176.41 1t61 s LYS 211 N -0.64 2.13 -0.19 1.70 1.02 -1.26 -4.79 119.74 117.71 1t61 s LYS 211 Ca 0.10 -2.00 -0.42 0.00 0.02 0.00 0.00 55.97 53.67 1t61 s LYS 211 Cb -0.12 -1.82 -0.20 0.00 -0.52 0.00 0.00 37.83 35.18 1t61 s LYS 211 CO 0.02 -0.14 1.25 0.00 -0.92 0.00 0.00 175.35 175.56 1t61 n ALA 212 N -1.17 -2.69 0.00 5.17 0.00 -1.26 -0.75 120.51 119.81 1t61 n ALA 212 Ca -0.04 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1t61 n ALA 212 Cb 0.66 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1t61 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t61 n GLY 213 N 2.44 2.34 0.08 0.00 0.00 -1.26 -4.80 105.19 103.98 1t61 n GLY 213 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1t61 n GLY 213 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1t61 n GLU 214 N 0.00 1.42 -0.22 1.61 0.28 0.07 -4.77 120.64 119.03 1t61 n GLU 214 Ca 0.00 -1.17 -0.03 0.00 -0.16 0.00 0.00 57.16 55.80 1t61 n GLU 214 Cb 0.00 -1.03 0.08 0.00 1.43 0.00 0.00 31.44 31.91 1t61 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1t61 h LEU 215 N 0.28 0.57 0.00 -1.84 3.38 -1.84 -2.47 115.31 113.40 1t61 h LEU 215 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1t61 h LEU 215 Cb 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1t61 h LEU 215 CO 0.00 0.39 0.00 0.54 0.09 0.00 0.00 178.44 179.46 1t61 n ARG 216 N -4.76 0.38 0.29 1.13 1.74 -1.26 -3.70 116.66 110.48 1t61 n ARG 216 Ca 0.07 0.07 0.17 0.00 -0.77 0.00 0.00 57.85 57.39 1t61 n ARG 216 Cb 0.13 -1.50 0.89 0.00 -1.02 0.00 0.00 32.46 30.95 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 0.28 -0.11 0.55 1.35 -1.79 -2.84 112.91 110.35 1t61 h THR 217 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1t61 h THR 217 Cb 0.15 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1t61 h THR 217 CO 0.00 0.05 0.00 1.41 -0.25 0.00 0.00 175.52 176.73 1t61 n HIS 218 N -3.38 0.17 -3.36 4.73 8.25 -1.24 -4.87 115.22 115.51 1t61 n HIS 218 Ca -0.02 -0.55 -0.38 0.00 -0.26 0.00 0.00 57.72 56.51 1t61 n HIS 218 Cb 0.19 -0.06 -0.07 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 -1.20 5.18 0.58 1.59 1.01 -1.07 -1.28 120.40 125.20 1t61 s VAL 219 Ca 0.10 0.75 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 1t61 s VAL 219 Cb 0.07 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1t61 s VAL 219 CO 0.05 0.23 1.23 -0.55 0.00 0.00 0.00 175.10 176.06 1t61 s SER 220 N 1.09 5.27 0.33 3.32 0.15 -0.32 -4.52 113.70 119.03 1t61 s SER 220 Ca 0.20 2.44 0.07 0.00 0.70 0.00 0.00 55.95 59.36 1t61 s SER 220 Cb -0.15 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.53 1t61 s SER 220 CO 0.08 -1.54 0.34 -0.13 1.20 0.00 0.00 173.24 173.19 1t61 s ARG 221 N -3.21 2.86 0.21 5.44 1.81 -0.94 -1.51 118.95 123.61 1t61 s ARG 221 Ca 0.76 -1.20 -0.11 0.00 -1.72 0.00 0.00 55.73 53.46 1t61 s ARG 221 Cb -0.32 -2.58 -0.01 0.00 -0.45 0.00 0.00 34.95 31.59 1t61 s ARG 221 CO 0.35 0.10 0.39 0.00 -0.68 0.00 0.00 175.30 175.46 1t61 s GLN 223 N -4.00 0.13 -0.17 0.00 0.74 -0.80 -1.29 119.66 114.26 1t61 s GLN 223 Ca 0.21 0.27 -0.13 0.00 0.05 0.00 0.00 55.36 55.76 1t61 s GLN 223 Cb 0.01 -0.03 -0.05 0.00 1.10 0.00 0.00 33.01 34.04 1t61 s GLN 223 CO 0.05 -0.08 0.26 0.08 -0.55 0.00 0.00 175.29 175.05 1t61 s VAL 224 N 0.54 5.32 0.18 1.34 1.01 0.49 -1.51 120.40 127.78 1t61 s VAL 224 Ca -0.04 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.47 1t61 s VAL 224 Cb -0.05 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1t61 s VAL 224 CO -0.02 0.39 -0.11 0.00 0.00 0.00 0.00 175.10 175.35 1t61 s MET 226 N -3.71 1.14 0.00 0.00 -2.45 0.68 -0.60 119.30 114.36 1t61 s MET 226 Ca 0.20 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 54.19 1t61 s MET 226 Cb 0.01 -1.07 0.00 0.00 1.25 0.00 0.00 34.83 35.02 1t61 s MET 226 CO 0.04 0.24 0.46 -2.13 1.05 0.00 0.00 175.02 174.68