#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f58 s VAL 2 N 0.00 4.65 -0.02 5.18 0.11 -1.26 -4.51 120.40 124.55 1f58 s VAL 2 Ca 0.00 1.14 0.01 0.00 -2.93 0.00 0.00 61.98 60.20 1f58 s VAL 2 Cb 0.00 -3.82 0.01 0.00 -1.53 0.00 0.00 36.38 31.05 1f58 s VAL 2 CO 0.00 0.20 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.37 1f58 s GLN 3 N -2.00 0.40 0.01 1.54 0.74 -0.57 -5.00 119.66 114.78 1f58 s GLN 3 Ca 0.42 -0.04 0.06 0.00 0.05 0.00 0.00 55.36 55.85 1f58 s GLN 3 Cb -0.16 -0.47 -0.03 0.00 1.10 0.00 0.00 33.01 33.45 1f58 s GLN 3 CO 0.20 -0.04 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.23 1f58 s LEU 4 N 0.56 2.64 -0.07 3.68 1.02 -1.26 -1.15 118.68 124.11 1f58 s LEU 4 Ca -0.06 -0.34 -0.03 0.00 0.02 0.00 0.00 54.13 53.72 1f58 s LEU 4 Cb -0.09 -1.54 0.04 0.00 0.02 0.00 0.00 46.19 44.62 1f58 s LEU 4 CO -0.01 0.29 0.13 -1.58 0.02 0.00 0.00 176.35 175.21 1f58 s GLN 5 N -1.15 0.01 0.16 1.70 0.74 -0.27 -3.92 119.66 116.93 1f58 s GLN 5 Ca 0.13 0.49 -0.20 0.00 0.05 0.00 0.00 55.36 55.83 1f58 s GLN 5 Cb -0.11 -0.31 -0.08 0.00 1.10 0.00 0.00 33.01 33.62 1f58 s GLN 5 CO 0.03 -0.29 0.68 -0.65 -0.55 0.00 0.00 175.29 174.51 1f58 s GLN 6 N 2.10 4.28 -0.02 1.67 1.11 -1.26 -0.82 119.66 126.72 1f58 s GLN 6 Ca 0.02 0.86 -0.16 0.00 0.01 0.00 0.00 55.36 56.09 1f58 s GLN 6 Cb -0.12 -3.07 0.03 0.00 -1.01 0.00 0.00 33.01 28.84 1f58 s GLN 6 CO -0.05 0.51 0.34 -1.54 0.01 0.00 0.00 175.29 174.56 1f58 s SER 7 N -1.40 -0.23 0.00 5.90 1.04 -0.31 -4.86 113.70 113.83 1f58 s SER 7 Ca 0.37 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1f58 s SER 7 Cb -0.19 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1f58 s SER 7 CO 0.21 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1f58 n GLY 8 N 1.32 0.40 3.75 7.32 0.00 -1.26 -1.03 105.19 115.70 1f58 n GLY 8 Ca -0.21 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 1f58 n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f58 n PRO 9 N -1.06 1.97 0.00 1.61 -0.04 -1.26 -4.91 135.00 131.31 1f58 n PRO 9 Ca 0.00 0.71 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 1f58 n PRO 9 Cb 0.00 -2.59 0.16 0.00 -0.04 0.00 0.00 33.50 31.04 1f58 n PRO 9 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1f58 n ASP 10 N -0.53 1.31 -3.75 3.54 5.68 -1.26 -4.79 116.55 116.74 1f58 n ASP 10 Ca 0.08 -1.04 -0.16 0.00 -0.50 0.00 0.00 54.79 53.16 1f58 n ASP 10 Cb 0.43 0.38 -0.16 0.00 -1.14 0.00 0.00 41.12 40.63 1f58 n ASP 10 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1f58 s LEU 11 N -2.62 0.89 0.05 -2.12 2.96 -1.26 -0.68 118.68 115.89 1f58 s LEU 11 Ca 0.18 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1f58 s LEU 11 Cb 0.18 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.77 1f58 s LEU 11 CO 0.61 -0.15 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.70 1f58 s VAL 12 N 1.29 0.67 0.23 1.68 1.01 -0.61 -4.96 120.40 119.71 1f58 s VAL 12 Ca -0.06 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 1f58 s VAL 12 Cb -0.13 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 1f58 s VAL 12 CO -0.03 -0.31 0.49 -0.54 0.00 0.00 0.00 175.10 174.71 1f58 s LYS 13 N -1.52 3.65 0.56 2.72 1.02 -1.26 -0.99 119.74 123.92 1f58 s LYS 13 Ca -0.07 0.00 -0.20 0.00 0.02 0.00 0.00 55.97 55.72 1f58 s LYS 13 Cb -0.10 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 1f58 s LYS 13 CO 0.01 0.32 1.08 -2.30 -0.92 0.00 0.00 175.35 173.53 1f58 n PRO 14 N -0.50 1.16 -0.43 -1.68 -0.02 -1.26 -2.40 135.00 129.88 1f58 n PRO 14 Ca -0.02 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1f58 n PRO 14 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1f58 n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1f58 n SER 15 N -0.66 0.00 -3.28 2.55 3.41 0.75 -4.93 113.62 111.46 1f58 n SER 15 Ca 0.12 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.58 1f58 n SER 15 Cb 0.45 -0.98 0.10 0.00 -0.26 0.00 0.00 64.21 63.51 1f58 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f58 n GLN 16 N -2.00 -0.30 -4.52 4.33 6.02 -1.01 -4.11 117.38 115.79 1f58 n GLN 16 Ca 0.00 -1.38 -0.34 0.00 -0.01 0.00 0.00 57.00 55.27 1f58 n GLN 16 Cb 0.00 -0.60 -0.11 0.00 1.02 0.00 0.00 30.24 30.55 1f58 n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1f58 s SER 17 N -3.61 4.77 -0.19 1.08 0.01 -1.26 -2.27 113.70 112.23 1f58 s SER 17 Ca 0.41 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.52 1f58 s SER 17 Cb -0.02 -1.44 -0.05 0.00 0.21 0.00 0.00 66.02 64.72 1f58 s SER 17 CO 0.28 0.29 0.16 -0.22 0.41 0.00 0.00 173.24 174.17 1f58 s LEU 18 N -0.39 4.22 -0.10 2.44 0.20 0.17 -4.96 118.68 120.26 1f58 s LEU 18 Ca 0.06 0.28 -0.00 0.00 0.69 0.00 0.00 54.13 55.16 1f58 s LEU 18 Cb -0.12 -2.14 0.02 0.00 -0.43 0.00 0.00 46.19 43.52 1f58 s LEU 18 CO 0.02 0.17 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.73 1f58 s SER 19 N 0.37 2.07 0.19 3.68 0.01 -1.26 -1.03 113.70 117.73 1f58 s SER 19 Ca 0.10 -0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.17 1f58 s SER 19 Cb -0.11 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 1f58 s SER 19 CO -0.01 -0.10 -0.21 -0.76 0.41 0.00 0.00 173.24 172.57 1f58 s LEU 20 N 1.56 2.46 0.02 2.44 1.43 -0.23 -4.36 118.68 121.99 1f58 s LEU 20 Ca 0.02 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.31 1f58 s LEU 20 Cb -0.13 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1f58 s LEU 20 CO -0.06 0.04 -0.23 -0.89 0.23 0.00 0.00 176.35 175.44 1f58 s THR 21 N -1.95 1.84 -0.20 5.49 2.01 -0.19 -1.26 115.64 121.38 1f58 s THR 21 Ca 0.20 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1f58 s THR 21 Cb -0.07 -1.56 0.04 0.00 0.01 0.00 0.00 72.50 70.92 1f58 s THR 21 CO 0.09 0.39 -0.14 0.00 -0.69 0.00 0.00 174.62 174.27 1f58 s THR 23 N 1.31 5.38 -0.12 0.00 2.01 -0.00 -1.85 115.64 122.36 1f58 s THR 23 Ca -0.01 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 1f58 s THR 23 Cb -0.16 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1f58 s THR 23 CO -0.09 0.46 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 1f58 s VAL 24 N 0.14 3.65 0.01 3.82 1.01 -0.79 -1.11 120.40 127.12 1f58 s VAL 24 Ca 0.12 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1f58 s VAL 24 Cb -0.12 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1f58 s VAL 24 CO 0.01 0.53 -0.19 -0.89 0.00 0.00 0.00 175.10 174.57 1f58 s THR 25 N -0.02 1.50 -0.00 3.92 2.01 -0.30 -4.75 115.64 118.01 1f58 s THR 25 Ca -0.00 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1f58 s THR 25 Cb -0.14 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1f58 s THR 25 CO 0.03 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1f58 n GLY 26 N 2.30 0.50 3.64 4.40 0.00 -1.26 -1.51 105.19 113.25 1f58 n GLY 26 Ca -0.16 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1f58 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f58 s TYR 27 N -2.00 -0.61 0.18 1.61 5.04 -1.26 -4.47 117.35 115.84 1f58 s TYR 27 Ca 0.00 1.37 -0.15 0.00 -2.44 0.00 0.00 57.07 55.85 1f58 s TYR 27 Cb 0.00 0.38 -0.07 0.00 0.35 0.00 0.00 41.96 42.61 1f58 s TYR 27 CO 0.00 -0.30 0.60 -1.54 -1.34 0.00 0.00 175.55 172.97 1f58 s SER 28 N 0.69 6.84 0.55 4.32 1.04 -1.26 -4.90 113.70 120.98 1f58 s SER 28 Ca -0.02 1.14 0.31 0.00 0.48 0.00 0.00 55.95 57.86 1f58 s SER 28 Cb -0.05 -2.31 1.57 0.00 0.10 0.00 0.00 66.02 65.33 1f58 s SER 28 CO -0.09 0.04 2.10 0.16 0.98 0.00 0.00 173.24 176.43 1f58 h ILE 29 N 2.63 0.40 0.00 -1.02 3.07 -1.91 -2.35 117.51 118.33 1f58 h ILE 29 Ca -0.48 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.47 1f58 h ILE 29 Cb 1.19 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 1f58 h ILE 29 CO 0.66 0.08 0.00 0.35 -1.05 0.00 0.00 178.15 178.19 1f58 n THR 30 N -3.47 0.76 0.06 0.16 -2.24 -1.26 -3.02 114.28 105.28 1f58 n THR 30 Ca -0.02 0.09 0.04 0.00 -2.27 0.00 0.00 64.05 61.90 1f58 n THR 30 Cb 0.23 -1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 67.40 1f58 n THR 30 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1f58 h SER 31 N 0.00 0.00 -4.07 3.42 0.02 -1.83 -3.47 113.55 107.62 1f58 h SER 31 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 1f58 h SER 31 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1f58 h SER 31 CO 0.00 0.37 0.35 -0.83 -1.14 0.00 0.00 176.83 175.57 1f58 s GLY 32 N -4.63 2.40 0.06 -3.77 0.00 -1.17 -4.98 107.32 95.24 1f58 s GLY 32 Ca -0.02 0.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.88 1f58 s GLY 32 CO 0.80 0.71 1.58 -1.82 0.00 0.00 0.00 173.10 174.37 1f58 h TYR 33 N 1.81 -0.14 -2.89 1.90 3.20 -1.87 -3.39 116.97 115.59 1f58 h TYR 33 Ca -0.49 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.30 1f58 h TYR 33 Cb 1.19 0.05 -0.17 0.00 1.54 0.00 0.00 36.73 39.33 1f58 h TYR 33 CO 0.61 0.03 -0.08 -1.12 -1.64 0.00 0.00 178.16 175.96 1f58 s SER 34 N -5.18 -0.33 -0.13 -2.11 0.01 -1.21 -1.15 113.70 103.60 1f58 s SER 34 Ca -0.14 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1f58 s SER 34 Cb 0.04 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.72 1f58 s SER 34 CO 0.65 -0.63 -0.14 0.26 0.41 0.00 0.00 173.24 173.78 1f58 s TRP 35 N -2.15 2.05 0.24 2.43 0.52 -0.46 -1.35 118.94 120.22 1f58 s TRP 35 Ca -0.07 -1.07 0.08 0.00 0.02 0.00 0.00 56.10 55.06 1f58 s TRP 35 Cb -0.01 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 1f58 s TRP 35 CO 0.00 -0.58 0.04 -1.01 0.02 0.00 0.00 176.95 175.43 1f58 s HIS 35 N 1.28 2.83 -0.09 -1.98 3.76 0.44 -1.49 115.29 120.04 1f58 s HIS 35 Ca 0.00 -0.17 0.03 0.00 -0.15 0.00 0.00 55.06 54.77 1f58 s HIS 35 Cb -0.14 -1.29 0.00 0.00 1.11 0.00 0.00 32.58 32.27 1f58 s HIS 35 CO -0.07 0.57 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.61 1f58 s TRP 36 N -2.12 2.26 0.02 1.40 0.52 -0.64 -1.09 118.94 119.29 1f58 s TRP 36 Ca 0.31 -0.93 0.03 0.00 0.02 0.00 0.00 56.10 55.53 1f58 s TRP 36 Cb -0.07 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.69 1f58 s TRP 36 CO 0.21 -0.40 -0.10 0.42 0.02 0.00 0.00 176.95 177.10 1f58 s ILE 37 N 0.47 0.80 0.10 2.03 1.09 -0.01 -0.79 121.20 124.89 1f58 s ILE 37 Ca -0.17 -0.72 0.08 0.00 -1.10 0.00 0.00 60.65 58.74 1f58 s ILE 37 Cb -0.17 -0.73 -0.03 0.00 -1.06 0.00 0.00 42.46 40.47 1f58 s ILE 37 CO 0.07 0.01 -0.21 0.00 -0.10 0.00 0.00 174.94 174.71 1f58 s ARG 38 N -0.80 1.16 -0.13 2.79 1.70 -0.00 -0.76 118.95 122.90 1f58 s ARG 38 Ca 0.00 -1.17 0.03 0.00 -0.47 0.00 0.00 55.73 54.12 1f58 s ARG 38 Cb -0.06 -1.43 0.01 0.00 -0.57 0.00 0.00 34.95 32.89 1f58 s ARG 38 CO 0.00 0.34 -0.22 -1.14 -1.08 0.00 0.00 175.30 173.20 1f58 s GLN 39 N -1.89 2.97 0.39 3.89 0.74 0.14 -0.91 119.66 124.98 1f58 s GLN 39 Ca 0.07 -0.84 -0.04 0.00 0.05 0.00 0.00 55.36 54.60 1f58 s GLN 39 Cb -0.10 -2.39 -0.04 0.00 1.10 0.00 0.00 33.01 31.58 1f58 s GLN 39 CO 0.04 0.00 0.66 -0.06 -0.55 0.00 0.00 175.29 175.38 1f58 s PHE 40 N 0.78 3.51 0.27 1.67 0.08 -0.29 -0.62 117.98 123.39 1f58 s PHE 40 Ca -0.08 0.67 -0.31 0.00 0.12 0.00 0.00 56.93 57.33 1f58 s PHE 40 Cb -0.16 -2.15 -0.12 0.00 -0.57 0.00 0.00 43.02 40.02 1f58 s PHE 40 CO -0.01 -0.03 1.59 -2.30 -0.10 0.00 0.00 175.22 174.37 1f58 n PRO 41 N -1.68 2.62 0.00 0.24 -0.02 -1.26 -0.30 135.00 134.59 1f58 n PRO 41 Ca -0.01 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1f58 n PRO 41 Cb 0.55 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1f58 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f58 n GLY 42 N 2.48 0.98 2.04 -1.23 0.00 -1.26 -4.62 105.19 103.58 1f58 n GLY 42 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 1f58 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f58 n ASN 43 N 0.00 -3.13 -4.71 1.61 5.03 0.59 -5.03 115.26 109.62 1f58 n ASN 43 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 1f58 n ASN 43 Cb 0.00 -0.64 -0.03 0.00 -1.02 0.00 0.00 39.78 38.09 1f58 n ASN 43 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1f58 s LYS 44 N -0.22 4.37 -0.21 3.52 2.36 -1.23 -4.78 119.74 123.55 1f58 s LYS 44 Ca 0.00 1.89 -0.09 0.00 -2.55 0.00 0.00 55.97 55.22 1f58 s LYS 44 Cb 0.00 -3.35 -0.05 0.00 -1.05 0.00 0.00 37.83 33.38 1f58 s LYS 44 CO 0.00 -0.37 0.12 -0.51 1.55 0.00 0.00 175.35 176.14 1f58 s LEU 45 N 1.30 4.04 -0.17 5.43 1.43 -1.26 -1.13 118.68 128.31 1f58 s LEU 45 Ca 0.61 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1f58 s LEU 45 Cb -0.32 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1f58 s LEU 45 CO 0.29 0.13 -0.16 -0.70 0.23 0.00 0.00 176.35 176.13 1f58 s GLU 46 N 0.68 2.57 0.18 1.70 2.12 -0.09 -4.99 118.70 120.87 1f58 s GLU 46 Ca 0.06 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 1f58 s GLU 46 Cb -0.12 -2.38 -0.08 0.00 0.26 0.00 0.00 34.13 31.81 1f58 s GLU 46 CO 0.01 -0.26 1.18 -0.46 -0.54 0.00 0.00 175.26 175.20 1f58 s TRP 47 N 1.37 3.45 -0.26 5.30 -0.00 -1.26 -0.82 118.94 126.73 1f58 s TRP 47 Ca 0.04 1.45 -0.00 0.00 -0.00 0.00 0.00 56.10 57.58 1f58 s TRP 47 Cb -0.14 -3.41 -0.17 0.00 -0.00 0.00 0.00 33.47 29.76 1f58 s TRP 47 CO -0.11 -1.11 -0.22 -1.33 -0.00 0.00 0.00 176.95 174.18 1f58 n MET 48 N 2.50 0.65 0.00 5.86 2.81 0.03 -4.68 117.12 124.28 1f58 n MET 48 Ca 0.04 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1f58 n MET 48 Cb 0.45 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1f58 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f58 n GLY 49 N 2.13 -0.30 3.39 3.03 0.00 -1.19 -0.68 105.19 111.57 1f58 n GLY 49 Ca -0.46 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1f58 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f58 s TYR 50 N -2.00 0.09 -0.20 1.61 -0.85 -0.33 -1.61 117.35 114.07 1f58 s TYR 50 Ca 0.00 -0.45 -0.01 0.00 -0.52 0.00 0.00 57.07 56.09 1f58 s TYR 50 Cb 0.00 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.50 1f58 s TYR 50 CO 0.00 -0.78 -0.12 -1.50 -1.52 0.00 0.00 175.55 171.64 1f58 s ILE 51 N -3.90 2.75 0.75 -3.49 2.07 -0.55 -1.67 121.20 117.16 1f58 s ILE 51 Ca 0.11 -0.71 -0.11 0.00 -1.41 0.00 0.00 60.65 58.53 1f58 s ILE 51 Cb 0.02 -2.21 0.05 0.00 0.13 0.00 0.00 42.46 40.44 1f58 s ILE 51 CO -0.04 0.48 1.12 -2.28 -1.91 0.00 0.00 174.94 172.32 1f58 s HIS 52 N 1.33 3.13 0.57 3.50 5.65 0.74 -1.35 115.29 128.86 1f58 s HIS 52 Ca 0.04 0.87 0.25 0.00 0.25 0.00 0.00 55.06 56.47 1f58 s HIS 52 Cb -0.14 -3.26 1.64 0.00 -1.18 0.00 0.00 32.58 29.64 1f58 s HIS 52 CO -0.07 -1.45 2.22 0.10 -0.65 0.00 0.00 174.74 174.89 1f58 h TYR 53 N -0.82 0.00 0.00 3.88 -0.00 -1.33 0.26 116.97 118.97 1f58 h TYR 53 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1f58 h TYR 53 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 1f58 h TYR 53 CO 0.41 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.44 1f58 n SER 54 N -4.09 0.00 0.00 0.10 3.41 -1.26 -4.85 113.62 106.94 1f58 n SER 54 Ca -0.03 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1f58 n SER 54 Cb 0.08 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1f58 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f58 n ALA 55 N -1.32 0.00 -1.80 7.33 0.00 0.08 -5.03 120.51 119.77 1f58 n ALA 55 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 1f58 n ALA 55 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.63 1f58 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1f58 s GLY 56 N -1.93 1.87 0.20 0.00 0.00 -1.26 -4.75 107.32 101.46 1f58 s GLY 56 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 44.72 44.88 1f58 s GLY 56 CO 0.00 0.37 -0.12 -0.51 0.00 0.00 0.00 173.10 172.84 1f58 s THR 57 N -2.86 1.58 -0.05 0.90 -4.23 -1.26 -0.18 115.64 109.53 1f58 s THR 57 Ca 0.58 -2.17 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1f58 s THR 57 Cb -0.11 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.69 1f58 s THR 57 CO 0.43 -0.59 0.11 0.21 -0.54 0.00 0.00 174.62 174.25 1f58 s ASN 58 N -3.30 -0.09 0.26 3.99 2.47 -0.67 -4.98 114.94 112.62 1f58 s ASN 58 Ca 0.22 0.23 0.11 0.00 0.42 0.00 0.00 52.86 53.85 1f58 s ASN 58 Cb 0.01 0.18 -0.05 0.00 -1.45 0.00 0.00 41.25 39.93 1f58 s ASN 58 CO 0.06 -0.09 -0.20 -0.31 -3.72 0.00 0.00 177.10 172.84 1f58 s TYR 59 N 0.59 2.23 0.09 0.43 2.02 -1.26 -1.18 117.35 120.27 1f58 s TYR 59 Ca -0.04 -0.36 -0.31 0.00 -0.37 0.00 0.00 57.07 55.99 1f58 s TYR 59 Cb -0.06 -0.98 -0.07 0.00 -0.40 0.00 0.00 41.96 40.45 1f58 s TYR 59 CO -0.03 0.66 1.31 1.21 -1.57 0.00 0.00 175.55 177.14 1f58 s ASN 60 N -3.40 6.93 0.51 2.29 3.84 0.14 -4.86 114.94 120.39 1f58 s ASN 60 Ca 0.28 2.20 0.30 0.00 0.21 0.00 0.00 52.86 55.86 1f58 s ASN 60 Cb -0.05 -2.58 1.43 0.00 -0.55 0.00 0.00 41.25 39.49 1f58 s ASN 60 CO 0.14 -0.58 1.86 -0.65 -2.79 0.00 0.00 177.10 175.07 1f58 h PRO 61 N 6.80 0.07 0.00 0.43 0.11 -1.96 0.14 132.00 137.60 1f58 h PRO 61 Ca -0.42 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 1f58 h PRO 61 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1f58 h PRO 61 CO 0.84 0.05 -0.20 0.77 -0.21 0.00 0.00 178.00 179.25 1f58 h SER 62 N 0.08 0.00 -0.00 -2.05 0.02 -1.97 -3.20 113.55 106.42 1f58 h SER 62 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1f58 h SER 62 Cb 1.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.31 1f58 h SER 62 CO -0.05 0.20 -0.32 0.18 -1.14 0.00 0.00 176.83 175.70 1f58 n LEU 63 N -3.54 0.68 -0.33 5.07 4.77 0.35 -4.77 117.00 119.24 1f58 n LEU 63 Ca -0.01 -0.60 0.23 0.00 -0.03 0.00 0.00 56.01 55.60 1f58 n LEU 63 Cb 0.35 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.89 1f58 n LEU 63 CO 0.32 0.15 1.08 0.50 -1.33 0.00 0.00 177.39 178.11 1f58 h LYS 64 N 0.38 0.27 0.00 3.23 3.64 -1.14 -0.48 116.57 122.47 1f58 h LYS 64 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1f58 h LYS 64 Cb 0.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1f58 h LYS 64 CO 0.00 0.18 0.00 0.66 -2.27 0.00 0.00 179.45 178.02 1f58 h SER 65 N 0.28 0.00 0.00 4.20 4.64 -1.86 -3.31 113.55 117.50 1f58 h SER 65 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1f58 h SER 65 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1f58 h SER 65 CO -0.63 0.00 -0.28 -2.11 -0.87 0.00 0.00 176.83 172.94 1f58 n ARG 66 N -3.04 0.57 -4.39 4.77 1.85 -0.23 -5.01 116.66 111.17 1f58 n ARG 66 Ca 0.00 -1.56 -0.28 0.00 -1.00 0.00 0.00 57.85 55.01 1f58 n ARG 66 Cb 0.26 -0.88 -0.12 0.00 -1.05 0.00 0.00 32.46 30.67 1f58 n ARG 66 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1f58 s ILE 67 N -1.08 2.49 -0.16 8.89 2.07 -0.95 -0.46 121.20 131.99 1f58 s ILE 67 Ca 0.12 -1.86 -0.13 0.00 -1.41 0.00 0.00 60.65 57.36 1f58 s ILE 67 Cb 0.10 -2.17 0.05 0.00 0.13 0.00 0.00 42.46 40.57 1f58 s ILE 67 CO 0.01 -0.04 0.43 -0.55 -1.91 0.00 0.00 174.94 172.88 1f58 s SER 68 N -2.49 -0.47 -0.07 4.50 0.15 -0.15 -4.94 113.70 110.23 1f58 s SER 68 Ca 0.19 0.88 0.02 0.00 0.70 0.00 0.00 55.95 57.75 1f58 s SER 68 Cb -0.09 0.86 0.01 0.00 -1.71 0.00 0.00 66.02 65.09 1f58 s SER 68 CO 0.10 -0.16 -0.12 -0.63 1.20 0.00 0.00 173.24 173.62 1f58 s ILE 69 N 0.56 1.14 0.27 6.45 1.01 -1.26 -0.80 121.20 128.58 1f58 s ILE 69 Ca -0.03 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1f58 s ILE 69 Cb -0.04 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1f58 s ILE 69 CO -0.03 0.36 0.13 0.42 0.00 0.00 0.00 174.94 175.82 1f58 s THR 70 N 0.68 0.36 0.06 2.92 -4.23 -1.07 -4.96 115.64 109.40 1f58 s THR 70 Ca -0.14 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.37 1f58 s THR 70 Cb -0.16 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1f58 s THR 70 CO 0.04 0.00 -0.04 0.00 -0.54 0.00 0.00 174.62 174.07 1f58 s ARG 71 N -3.94 0.66 -0.28 3.99 1.70 -1.26 -0.12 118.95 119.70 1f58 s ARG 71 Ca 0.37 -1.22 -0.01 0.00 -0.47 0.00 0.00 55.73 54.40 1f58 s ARG 71 Cb 0.06 0.07 0.09 0.00 -0.57 0.00 0.00 34.95 34.60 1f58 s ARG 71 CO 0.15 -0.08 0.07 0.34 -1.08 0.00 0.00 175.30 174.71 1f58 s ASP 72 N -2.86 3.78 0.47 -2.89 -1.08 0.14 -4.97 116.67 109.25 1f58 s ASP 72 Ca 0.07 -1.42 0.14 0.00 -0.52 0.00 0.00 52.55 50.82 1f58 s ASP 72 Cb 0.06 -0.84 1.08 0.00 -1.46 0.00 0.00 42.92 41.76 1f58 s ASP 72 CO -0.08 -0.38 2.06 0.74 0.52 0.00 0.00 175.17 178.04 1f58 h THR 73 N 6.51 1.08 0.02 1.71 2.02 -1.97 -0.32 112.91 121.96 1f58 h THR 73 Ca -0.14 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1f58 h THR 73 Cb 1.04 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1f58 h THR 73 CO 0.44 0.10 -0.01 -1.28 0.37 0.00 0.00 175.52 175.14 1f58 h SER 74 N 0.08 -0.02 0.34 4.18 0.87 -1.95 -3.25 113.55 113.80 1f58 h SER 74 Ca 0.02 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.84 1f58 h SER 74 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1f58 h SER 74 CO 0.01 0.76 -0.05 0.29 -0.53 0.00 0.00 176.83 177.31 1f58 n LYS 75 N -4.72 0.71 -3.45 2.24 5.02 -1.20 -4.93 118.16 111.82 1f58 n LYS 75 Ca -0.09 -0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 55.88 1f58 n LYS 75 Cb 0.37 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.95 1f58 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1f58 n ASN 76 N -1.02 -3.44 -4.06 4.39 5.15 -0.21 -4.79 115.26 111.28 1f58 n ASN 76 Ca 0.17 -0.72 -0.10 0.00 -0.60 0.00 0.00 54.58 53.33 1f58 n ASN 76 Cb 0.23 -4.81 -0.11 0.00 -0.53 0.00 0.00 39.78 34.57 1f58 n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1f58 s GLN 77 N -5.25 0.52 0.12 1.20 -0.21 -0.73 -1.88 119.66 113.43 1f58 s GLN 77 Ca 0.17 -0.88 0.06 0.00 0.02 0.00 0.00 55.36 54.73 1f58 s GLN 77 Cb -0.03 -0.07 -0.04 0.00 1.00 0.00 0.00 33.01 33.87 1f58 s GLN 77 CO 0.76 -0.02 -0.15 -0.59 -2.12 0.00 0.00 175.29 173.17 1f58 s PHE 78 N -2.19 1.44 0.14 0.91 -0.71 -0.77 0.24 117.98 117.04 1f58 s PHE 78 Ca -0.06 -0.54 0.06 0.00 -1.04 0.00 0.00 56.93 55.36 1f58 s PHE 78 Cb -0.05 -0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.97 1f58 s PHE 78 CO -0.03 0.16 -0.14 -0.06 -1.34 0.00 0.00 175.22 173.81 1f58 s PHE 79 N -2.03 1.43 -0.07 3.49 0.40 0.83 -0.96 117.98 121.06 1f58 s PHE 79 Ca 0.09 -0.59 0.05 0.00 -0.60 0.00 0.00 56.93 55.88 1f58 s PHE 79 Cb -0.05 -0.73 -0.00 0.00 0.51 0.00 0.00 43.02 42.74 1f58 s PHE 79 CO 0.03 0.17 -0.23 -1.17 0.70 0.00 0.00 175.22 174.72 1f58 s LEU 80 N -2.67 2.04 -0.11 -0.37 2.96 -0.39 -2.60 118.68 117.54 1f58 s LEU 80 Ca 0.12 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1f58 s LEU 80 Cb -0.03 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.36 1f58 s LEU 80 CO 0.03 0.19 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.56 1f58 s GLN 81 N 0.09 1.84 -0.16 1.98 2.00 0.02 -1.06 119.66 124.37 1f58 s GLN 81 Ca -0.10 -0.40 0.00 0.00 -2.00 0.00 0.00 55.36 52.87 1f58 s GLN 81 Cb -0.15 -1.72 0.03 0.00 0.80 0.00 0.00 33.01 31.96 1f58 s GLN 81 CO 0.06 -0.18 -0.12 -1.17 -0.50 0.00 0.00 175.29 173.38 1f58 s LEU 82 N 1.37 1.74 0.48 3.68 2.96 -0.19 -0.98 118.68 127.75 1f58 s LEU 82 Ca -0.00 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1f58 s LEU 82 Cb -0.13 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.43 1f58 s LEU 82 CO -0.06 -0.09 0.70 0.20 -1.32 0.00 0.00 176.35 175.78 1f58 s ASN 82 N 1.50 5.64 -1.25 3.68 0.02 0.39 -0.65 114.94 124.27 1f58 s ASN 82 Ca 0.03 0.17 -0.24 0.00 -1.02 0.00 0.00 52.86 51.80 1f58 s ASN 82 Cb -0.14 -1.29 0.02 0.00 0.02 0.00 0.00 41.25 39.87 1f58 s ASN 82 CO -0.10 -0.85 0.62 -1.20 0.02 0.00 0.00 177.10 175.59 1f58 n SER 82 N -2.16 -3.61 -4.79 -1.22 7.64 -1.12 -4.90 113.62 103.46 1f58 n SER 82 Ca 0.04 -1.19 -0.34 0.00 1.01 0.00 0.00 58.87 58.39 1f58 n SER 82 Cb 0.58 -2.28 -0.01 0.00 -1.01 0.00 0.00 64.21 61.49 1f58 n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1f58 s VAL 82 N -3.64 3.57 0.38 0.44 -7.23 -0.96 -4.69 120.40 108.28 1f58 s VAL 82 Ca 0.40 0.91 0.04 0.00 -1.81 0.00 0.00 61.98 61.51 1f58 s VAL 82 Cb -0.19 -3.36 -0.05 0.00 0.56 0.00 0.00 36.38 33.34 1f58 s VAL 82 CO 0.94 -0.28 0.06 0.42 -0.31 0.00 0.00 175.10 175.93 1f58 s THR 83 N -2.04 1.13 0.64 5.32 -4.23 -1.26 -0.18 115.64 115.01 1f58 s THR 83 Ca 0.68 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 59.62 1f58 s THR 83 Cb -0.19 -2.62 0.44 0.00 1.34 0.00 0.00 72.50 71.47 1f58 s THR 83 CO 0.27 0.00 2.35 0.71 -0.54 0.00 0.00 174.62 177.41 1f58 h THR 84 N 1.88 0.07 0.00 3.99 1.35 -1.98 -0.30 112.91 117.92 1f58 h THR 84 Ca -0.40 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1f58 h THR 84 Cb 1.26 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1f58 h THR 84 CO 0.68 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 175.62 1f58 h GLU 85 N 0.00 0.00 -0.07 4.72 4.39 -1.95 -2.45 114.58 119.22 1f58 h GLU 85 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1f58 h GLU 85 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1f58 h GLU 85 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 1f58 n ASP 86 N -2.49 1.17 -4.68 1.42 8.00 -0.12 -4.86 116.55 114.99 1f58 n ASP 86 Ca 0.01 -1.50 -0.42 0.00 0.71 0.00 0.00 54.79 53.59 1f58 n ASP 86 Cb 0.20 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1f58 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1f58 s THR 87 N -1.92 3.41 -0.01 -3.53 2.01 -0.92 -4.84 115.64 109.83 1f58 s THR 87 Ca 0.36 0.70 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 1f58 s THR 87 Cb 0.19 -3.45 0.11 0.00 0.01 0.00 0.00 72.50 69.35 1f58 s THR 87 CO 0.30 -0.03 1.28 0.00 -0.69 0.00 0.00 174.62 175.48 1f58 s ALA 88 N 3.17 -2.33 -0.19 7.40 0.00 -0.90 -4.69 121.76 124.22 1f58 s ALA 88 Ca 0.72 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 1f58 s ALA 88 Cb -0.35 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1f58 s ALA 88 CO 0.30 -1.10 0.23 0.99 0.00 0.00 0.00 175.76 176.18 1f58 s THR 89 N -2.21 5.34 -0.16 0.00 2.01 0.21 -1.27 115.64 119.55 1f58 s THR 89 Ca 0.22 0.39 -0.06 0.00 0.31 0.00 0.00 61.69 62.55 1f58 s THR 89 Cb 0.02 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1f58 s THR 89 CO -0.02 0.38 0.02 -0.31 -0.69 0.00 0.00 174.62 174.01 1f58 s TYR 90 N 0.61 3.17 0.06 4.92 1.51 0.98 0.27 117.35 128.87 1f58 s TYR 90 Ca 0.13 -0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.23 1f58 s TYR 90 Cb -0.13 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1f58 s TYR 90 CO 0.02 0.14 -0.19 0.71 -1.11 0.00 0.00 175.55 175.12 1f58 s TYR 91 N 0.18 1.67 0.13 2.71 2.02 0.06 -0.81 117.35 123.31 1f58 s TYR 91 Ca 0.02 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.40 1f58 s TYR 91 Cb -0.13 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 1f58 s TYR 91 CO 0.01 0.12 -0.03 0.00 -1.57 0.00 0.00 175.55 174.08 1f58 s ALA 93 N -1.48 -0.67 -0.12 0.00 0.00 -0.25 -1.11 121.76 118.12 1f58 s ALA 93 Ca 0.25 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 1f58 s ALA 93 Cb -0.10 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1f58 s ALA 93 CO 0.17 -0.34 0.10 0.50 0.00 0.00 0.00 175.76 176.19 1f58 s ARG 94 N -2.04 3.44 -0.21 0.00 3.52 -0.08 -0.42 118.95 123.15 1f58 s ARG 94 Ca -0.09 -0.23 -0.05 0.00 -0.13 0.00 0.00 55.73 55.23 1f58 s ARG 94 Cb -0.03 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.23 1f58 s ARG 94 CO -0.00 0.67 0.01 -2.00 -0.81 0.00 0.00 175.30 173.17 1f58 s GLU 95 N -0.73 3.60 0.18 5.12 2.12 -0.45 -1.55 118.70 126.98 1f58 s GLU 95 Ca 0.13 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 54.98 1f58 s GLU 95 Cb -0.12 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1f58 s GLU 95 CO 0.03 -0.06 -0.08 -2.00 -0.54 0.00 0.00 175.26 172.61 1f58 s GLU 96 N 1.20 1.17 -0.25 4.30 2.56 -0.11 -3.08 118.70 124.50 1f58 s GLU 96 Ca 0.03 -1.53 -0.28 0.00 0.00 0.00 0.00 54.97 53.19 1f58 s GLU 96 Cb -0.15 -0.68 0.01 0.00 2.00 0.00 0.00 34.13 35.31 1f58 s GLU 96 CO 0.01 0.04 1.00 0.00 -0.56 0.00 0.00 175.26 175.75 1f58 s ALA 97 N -3.31 3.64 0.03 6.30 0.00 -1.26 -1.65 121.76 125.50 1f58 s ALA 97 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1f58 s ALA 97 Cb 0.03 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1f58 s ALA 97 CO 0.04 -1.12 0.11 -1.64 0.00 0.00 0.00 175.76 173.14 1f58 s MET 98 N 3.22 3.11 0.18 0.00 1.00 -1.26 -4.98 119.30 120.58 1f58 s MET 98 Ca 0.42 -0.51 -0.31 0.00 0.00 0.00 0.00 55.69 55.29 1f58 s MET 98 Cb -0.14 -2.88 -0.10 0.00 0.00 0.00 0.00 34.83 31.71 1f58 s MET 98 CO 0.08 0.62 1.51 -2.14 0.00 0.00 0.00 175.02 175.10 1f58 s PRO 99 N -2.04 4.24 0.01 2.03 0.02 -1.26 -4.77 135.00 133.23 1f58 s PRO 99 Ca 0.27 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.61 1f58 s PRO 99 Cb -0.12 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 1f58 s PRO 99 CO 0.19 -0.54 -0.04 -0.47 -0.33 0.00 0.00 177.00 175.81 1f58 s TYR 100 N 0.80 0.38 0.00 6.54 5.04 0.17 -5.01 117.35 125.27 1f58 s TYR 100 Ca 0.66 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1f58 s TYR 100 Cb -0.42 -0.24 0.00 0.00 0.35 0.00 0.00 41.96 41.65 1f58 s TYR 100 CO 0.35 -0.04 0.00 0.41 -1.34 0.00 0.00 175.55 174.92 1f58 n GLY 100 N 2.49 2.81 3.28 8.97 0.00 -1.26 -1.11 105.19 120.38 1f58 n GLY 100 Ca -0.16 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 1f58 n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f58 s ASN 100 N -4.00 6.35 -1.45 1.61 2.47 -1.26 -4.61 114.94 114.05 1f58 s ASN 100 Ca 0.00 -2.45 -0.10 0.00 0.42 0.00 0.00 52.86 50.73 1f58 s ASN 100 Cb 0.00 -2.15 0.05 0.00 -1.45 0.00 0.00 41.25 37.71 1f58 s ASN 100 CO 0.00 -0.62 0.99 0.00 -3.72 0.00 0.00 177.10 173.75 1f58 n GLN 100 N 4.27 -6.04 0.00 0.43 6.02 -1.24 -5.27 117.38 115.55 1f58 n GLN 100 Ca 0.05 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1f58 n GLN 100 Cb 0.44 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 26.15 1f58 n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f58 n ALA 100 N -4.67 0.00 -3.05 -1.58 0.00 -0.27 -5.00 120.51 105.95 1f58 n ALA 100 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.14 1f58 n ALA 100 Cb 0.56 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.85 1f58 n ALA 100 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1f58 s TYR 100 N 0.98 1.73 0.02 0.00 2.02 -1.26 -0.65 117.35 120.18 1f58 s TYR 100 Ca 0.00 -0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 55.97 1f58 s TYR 100 Cb 0.00 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1f58 s TYR 100 CO 0.00 -0.21 0.40 0.00 -1.57 0.00 0.00 175.55 174.17 1f58 s ALA 100 N 0.19 -0.99 -0.56 3.71 0.00 -0.66 -4.95 121.76 118.51 1f58 s ALA 100 Ca -0.07 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 1f58 s ALA 100 Cb -0.13 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1f58 s ALA 100 CO 0.03 -0.39 1.15 -1.64 0.00 0.00 0.00 175.76 174.91 1f58 s MET 100 N -2.03 3.53 -0.01 0.00 -1.94 -1.26 -0.93 119.30 116.66 1f58 s MET 100 Ca -0.08 0.24 0.14 0.00 -1.71 0.00 0.00 55.69 54.28 1f58 s MET 100 Cb -0.02 -4.00 -0.19 0.00 2.01 0.00 0.00 34.83 32.64 1f58 s MET 100 CO 0.01 -1.59 0.44 -0.40 -0.01 0.00 0.00 175.02 173.46 1f58 n ASP 101 N 8.19 1.24 -3.79 3.03 5.75 -0.59 -4.94 116.55 125.44 1f58 n ASP 101 Ca 0.08 -0.38 -0.23 0.00 -0.01 0.00 0.00 54.79 54.25 1f58 n ASP 101 Cb 0.49 1.35 -0.17 0.00 -1.03 0.00 0.00 41.12 41.75 1f58 n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1f58 s TRP 103 N 1.85 2.54 1.04 0.00 0.52 -1.26 -0.90 118.94 122.73 1f58 s TRP 103 Ca 0.03 -0.26 -0.18 0.00 0.02 0.00 0.00 56.10 55.72 1f58 s TRP 103 Cb -0.12 -1.26 0.25 0.00 -1.15 0.00 0.00 33.47 31.18 1f58 s TRP 103 CO -0.05 0.49 1.13 0.41 0.02 0.00 0.00 176.95 178.96 1f58 n GLY 104 N 0.19 -2.14 0.17 0.98 0.00 -0.27 -4.67 105.19 99.46 1f58 n GLY 104 Ca -0.12 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.34 1f58 n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1f58 h GLN 105 N 0.00 0.00 0.00 1.61 7.50 -1.91 -3.46 115.11 118.85 1f58 h GLN 105 Ca -0.39 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.76 1f58 h GLN 105 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.67 1f58 h GLN 105 CO 0.27 0.44 0.00 0.41 -1.50 0.00 0.00 178.83 178.45 1f58 n GLY 106 N 0.32 2.26 2.81 3.46 0.00 -1.26 -5.05 105.19 107.72 1f58 n GLY 106 Ca -0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 1f58 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f58 s THR 107 N -1.95 0.21 0.03 2.61 -1.32 0.01 -4.84 115.64 110.38 1f58 s THR 107 Ca 0.00 0.10 -0.29 0.00 -1.21 0.00 0.00 61.69 60.29 1f58 s THR 107 Cb 0.00 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 1f58 s THR 107 CO 0.00 0.17 0.93 -0.89 -2.21 0.00 0.00 174.62 172.62 1f58 s THR 108 N 1.21 4.76 -0.05 5.08 2.01 -1.26 -0.02 115.64 127.37 1f58 s THR 108 Ca -0.07 1.97 0.05 0.00 0.31 0.00 0.00 61.69 63.95 1f58 s THR 108 Cb -0.13 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 1f58 s THR 108 CO -0.02 0.24 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.27 1f58 s VAL 109 N 0.58 1.57 -0.06 3.82 1.01 -0.40 -4.55 120.40 122.37 1f58 s VAL 109 Ca 0.48 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1f58 s VAL 109 Cb -0.21 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1f58 s VAL 109 CO 0.27 0.45 -0.23 -0.89 0.00 0.00 0.00 175.10 174.71 1f58 s THR 110 N 0.04 2.28 -0.24 3.92 2.01 0.15 -2.13 115.64 121.67 1f58 s THR 110 Ca -0.05 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 1f58 s THR 110 Cb -0.12 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1f58 s THR 110 CO 0.03 0.57 0.00 -0.69 -0.69 0.00 0.00 174.62 173.84 1f58 s VAL 111 N -0.22 3.71 -0.02 3.82 1.01 -1.26 -1.57 120.40 125.87 1f58 s VAL 111 Ca -0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1f58 s VAL 111 Cb -0.13 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.60 1f58 s VAL 111 CO 0.03 0.35 0.75 -0.55 0.00 0.00 0.00 175.10 175.69 1f58 s SER 112 N 1.52 -0.55 0.00 3.32 0.15 -0.16 -4.50 113.70 113.48 1f58 s SER 112 Ca 0.05 0.43 0.24 0.00 0.70 0.00 0.00 55.95 57.37 1f58 s SER 112 Cb -0.15 0.49 0.31 0.00 -1.71 0.00 0.00 66.02 64.96 1f58 s SER 112 CO -0.01 -0.63 1.33 -1.54 1.20 0.00 0.00 173.24 173.60 1f58 n SER 113 N 0.48 3.11 -4.73 5.45 3.41 -1.26 -4.14 113.62 115.94 1f58 n SER 113 Ca -0.16 -1.98 -0.34 0.00 -0.26 0.00 0.00 58.87 56.13 1f58 n SER 113 Cb 0.59 -0.09 0.08 0.00 -0.26 0.00 0.00 64.21 64.53 1f58 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f58 s ALA 114 N -1.81 2.18 0.17 7.33 0.00 -1.26 -5.02 121.76 123.35 1f58 s ALA 114 Ca 0.32 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1f58 s ALA 114 Cb 0.21 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1f58 s ALA 114 CO 0.31 -1.77 0.34 0.15 0.00 0.00 0.00 175.76 174.79 1f58 s LYS 115 N -3.95 3.49 0.02 0.00 -0.14 -1.26 -5.02 119.74 112.88 1f58 s LYS 115 Ca 0.73 -0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 54.60 1f58 s LYS 115 Cb -0.27 -2.90 -0.09 0.00 -1.68 0.00 0.00 37.83 32.89 1f58 s LYS 115 CO 0.44 0.46 1.99 0.99 -0.76 0.00 0.00 175.35 178.47 1f58 s THR 116 N -1.80 3.02 -0.05 2.17 2.01 -1.26 -4.67 115.64 115.06 1f58 s THR 116 Ca 0.37 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.41 1f58 s THR 116 Cb -0.11 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1f58 s THR 116 CO 0.29 -0.00 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.22 1f58 s THR 117 N 4.75 0.94 0.51 -0.82 2.01 -0.48 -4.96 115.64 117.59 1f58 s THR 117 Ca 0.89 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 62.32 1f58 s THR 117 Cb -0.42 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.14 1f58 s THR 117 CO 0.41 0.31 1.05 -2.16 -0.69 0.00 0.00 174.62 173.53 1f58 s PRO 118 N 0.64 3.68 0.59 4.92 0.04 -1.26 -1.27 135.00 142.34 1f58 s PRO 118 Ca -0.12 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.11 1f58 s PRO 118 Cb -0.14 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1f58 s PRO 118 CO 0.02 -0.53 1.03 -1.25 0.04 0.00 0.00 177.00 176.32 1f58 s PRO 119 N -3.42 3.48 -0.24 0.56 0.04 -1.26 -4.50 135.00 129.66 1f58 s PRO 119 Ca 0.67 1.05 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 1f58 s PRO 119 Cb -0.17 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1f58 s PRO 119 CO 0.24 -0.67 0.11 -1.12 0.04 0.00 0.00 177.00 175.60 1f58 s SER 120 N -3.15 5.62 -0.26 6.66 0.01 0.00 -4.92 113.70 117.65 1f58 s SER 120 Ca 0.61 -0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.75 1f58 s SER 120 Cb -0.13 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 1f58 s SER 120 CO 0.40 0.03 0.09 -0.69 0.41 0.00 0.00 173.24 173.48 1f58 s VAL 121 N 1.24 4.39 -0.11 3.43 1.01 -1.26 -0.59 120.40 128.51 1f58 s VAL 121 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1f58 s VAL 121 Cb -0.14 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1f58 s VAL 121 CO 0.05 0.28 -0.13 -0.31 0.00 0.00 0.00 175.10 174.98 1f58 s TYR 122 N 1.62 2.78 0.22 5.22 2.02 0.66 -4.96 117.35 124.91 1f58 s TYR 122 Ca 0.06 -0.49 -0.30 0.00 -0.37 0.00 0.00 57.07 55.98 1f58 s TYR 122 Cb -0.16 -1.78 -0.08 0.00 -0.40 0.00 0.00 41.96 39.54 1f58 s TYR 122 CO 0.04 -0.08 1.07 -2.14 -1.57 0.00 0.00 175.55 172.87 1f58 s PRO 123 N 0.02 4.66 -0.39 -1.71 0.02 -1.26 -0.97 135.00 135.36 1f58 s PRO 123 Ca -0.04 1.70 -0.02 0.00 0.02 0.00 0.00 61.00 62.66 1f58 s PRO 123 Cb -0.14 -3.25 0.10 0.00 0.02 0.00 0.00 34.50 31.23 1f58 s PRO 123 CO 0.04 0.20 0.17 -0.51 -0.33 0.00 0.00 177.00 176.57 1f58 s LEU 124 N -0.84 5.09 0.00 -5.54 1.43 0.77 -4.90 118.68 114.69 1f58 s LEU 124 Ca 0.46 -1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 51.55 1f58 s LEU 124 Cb -0.29 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1f58 s LEU 124 CO 0.36 -0.50 0.19 0.00 0.23 0.00 0.00 176.35 176.63 1f58 s ALA 125 N 1.12 3.96 0.31 4.21 0.00 -1.26 -0.93 121.76 129.17 1f58 s ALA 125 Ca 0.08 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 51.02 1f58 s ALA 125 Cb -0.22 -1.89 -0.15 0.00 0.00 0.00 0.00 23.12 20.86 1f58 s ALA 125 CO -0.04 0.75 0.61 -2.30 0.00 0.00 0.00 175.76 174.78 1f58 n PRO 126 N 0.86 0.54 -0.09 0.00 -0.02 -1.26 -4.76 135.00 130.26 1f58 n PRO 126 Ca -0.10 0.19 -0.02 0.00 -2.02 0.00 0.00 63.50 61.55 1f58 n PRO 126 Cb 0.52 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.60 1f58 n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f58 n GLY 127 N 1.76 -0.54 2.67 -1.23 0.00 -1.26 -4.01 105.19 102.58 1f58 n GLY 127 Ca 0.13 0.25 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 1f58 n GLY 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f58 n SER 128 N -4.27 -1.27 0.00 1.61 3.41 -1.26 -4.94 113.62 106.90 1f58 n SER 128 Ca 0.01 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1f58 n SER 128 Cb 0.06 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 1f58 n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f58 n ALA 129 N -0.44 0.00 -3.00 7.33 0.00 -1.26 -5.07 120.51 118.07 1f58 n ALA 129 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1f58 n ALA 129 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1f58 n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f58 n ALA 130 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.81 120.51 114.44 1f58 n ALA 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f58 n ALA 130 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1f58 n ALA 130 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1f58 n GLN 133 N 0.00 -0.56 -1.60 0.00 7.27 -1.26 -5.02 117.38 116.20 1f58 n GLN 133 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.62 1f58 n GLN 133 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1f58 n GLN 133 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1f58 n THR 134 N -0.24 0.45 -0.68 1.69 5.66 -1.26 -4.76 114.28 115.13 1f58 n THR 134 Ca 0.00 -0.31 0.08 0.00 -3.05 0.00 0.00 64.05 60.77 1f58 n THR 134 Cb 0.00 -2.28 -0.05 0.00 -1.55 0.00 0.00 70.33 66.46 1f58 n THR 134 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1f58 n ASN 135 N 9.83 -3.70 0.00 1.09 4.05 -1.26 -4.79 115.26 120.47 1f58 n ASN 135 Ca 0.29 0.70 0.00 0.00 0.45 0.00 0.00 54.58 56.01 1f58 n ASN 135 Cb 0.38 -2.35 0.00 0.00 1.23 0.00 0.00 39.78 39.04 1f58 n ASN 135 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1f58 n SER 136 N -3.11 0.00 -4.72 1.20 7.64 -1.26 -4.69 113.62 108.67 1f58 n SER 136 Ca -0.05 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.42 1f58 n SER 136 Cb 0.32 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.48 1f58 n SER 136 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1f58 s MET 137 N -1.66 4.66 -0.07 1.43 -1.94 -1.26 0.29 119.30 120.75 1f58 s MET 137 Ca 0.00 1.47 0.04 0.00 -1.71 0.00 0.00 55.69 55.48 1f58 s MET 137 Cb 0.00 -3.39 0.00 0.00 2.01 0.00 0.00 34.83 33.45 1f58 s MET 137 CO 0.00 0.14 -0.19 0.54 -0.01 0.00 0.00 175.02 175.51 1f58 s VAL 138 N 0.21 1.60 -0.19 -6.03 0.11 0.67 -4.85 120.40 111.93 1f58 s VAL 138 Ca 0.48 -0.77 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 1f58 s VAL 138 Cb -0.23 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.17 1f58 s VAL 138 CO 0.30 0.46 0.12 -0.89 -3.33 0.00 0.00 175.10 171.75 1f58 s THR 139 N 0.34 5.30 0.35 5.04 2.01 -1.26 -1.28 115.64 126.14 1f58 s THR 139 Ca -0.13 0.15 0.09 0.00 0.31 0.00 0.00 61.69 62.11 1f58 s THR 139 Cb -0.15 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 1f58 s THR 139 CO 0.05 0.45 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.59 1f58 s LEU 140 N 0.32 2.76 0.27 4.42 1.43 0.13 -4.52 118.68 123.49 1f58 s LEU 140 Ca 0.07 -1.20 -0.06 0.00 -1.03 0.00 0.00 54.13 51.91 1f58 s LEU 140 Cb -0.11 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 1f58 s LEU 140 CO -0.01 -0.22 0.38 -0.83 0.23 0.00 0.00 176.35 175.89 1f58 s GLY 141 N -3.62 1.13 -0.14 -3.19 0.00 -0.11 -1.48 107.32 99.91 1f58 s GLY 141 Ca 0.33 -1.33 -0.05 0.00 0.00 0.00 0.00 44.72 43.67 1f58 s GLY 141 CO 0.17 -0.97 0.26 0.00 0.00 0.00 0.00 173.10 172.56 1f58 s LEU 143 N 2.42 4.13 -0.47 0.00 2.96 -0.14 -1.57 118.68 126.00 1f58 s LEU 143 Ca 0.02 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1f58 s LEU 143 Cb -0.12 -2.15 0.13 0.00 0.50 0.00 0.00 46.19 44.54 1f58 s LEU 143 CO -0.09 0.07 0.28 -0.69 -1.32 0.00 0.00 176.35 174.59 1f58 s VAL 144 N 0.98 3.41 -0.04 1.68 1.01 0.16 -0.25 120.40 127.36 1f58 s VAL 144 Ca 0.09 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 59.74 1f58 s VAL 144 Cb -0.13 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1f58 s VAL 144 CO 0.04 -0.75 -0.01 -0.75 0.00 0.00 0.00 175.10 173.63 1f58 s LYS 145 N 0.77 2.85 -1.09 2.72 2.20 0.24 -1.17 119.74 126.27 1f58 s LYS 145 Ca 0.11 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 55.10 1f58 s LYS 145 Cb -0.22 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.34 1f58 s LYS 145 CO -0.04 0.66 0.89 0.41 -0.36 0.00 0.00 175.35 176.91 1f58 n GLY 146 N 1.76 -1.05 3.63 5.54 0.00 -0.11 -0.82 105.19 114.13 1f58 n GLY 146 Ca -0.16 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 1f58 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f58 s TYR 147 N -3.41 2.52 -0.28 1.61 -0.85 -0.84 -4.44 117.35 111.65 1f58 s TYR 147 Ca 0.42 -0.65 -0.21 0.00 -0.52 0.00 0.00 57.07 56.10 1f58 s TYR 147 Cb -0.08 -1.77 0.13 0.00 0.38 0.00 0.00 41.96 40.62 1f58 s TYR 147 CO 0.77 0.43 0.99 0.12 -1.52 0.00 0.00 175.55 176.35 1f58 s PHE 148 N -2.69 -0.54 0.05 -3.49 5.36 -0.39 -0.66 117.98 115.62 1f58 s PHE 148 Ca 0.35 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1f58 s PHE 148 Cb 0.09 0.37 0.01 0.00 -0.34 0.00 0.00 43.02 43.15 1f58 s PHE 148 CO 0.18 -0.26 0.07 -0.35 -1.46 0.00 0.00 175.22 173.40 1f58 n PRO 149 N 2.83 0.79 -1.60 10.12 -0.04 -1.26 -1.38 135.00 144.46 1f58 n PRO 149 Ca -0.15 -0.23 -0.32 0.00 -0.04 0.00 0.00 63.50 62.77 1f58 n PRO 149 Cb 0.57 -0.03 0.05 0.00 -0.04 0.00 0.00 33.50 34.05 1f58 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f58 s GLU 150 N -2.38 2.82 0.50 0.54 0.41 -1.26 -4.77 118.70 114.56 1f58 s GLU 150 Ca 0.05 1.11 0.04 0.00 -0.41 0.00 0.00 54.97 55.76 1f58 s GLU 150 Cb -0.00 -1.97 -0.01 0.00 -1.78 0.00 0.00 34.13 30.37 1f58 s GLU 150 CO 0.03 -1.20 0.17 -1.25 -0.49 0.00 0.00 175.26 172.52 1f58 s PRO 151 N -4.71 2.21 0.16 0.39 0.04 -1.26 -4.96 135.00 126.86 1f58 s PRO 151 Ca 0.61 -2.15 0.10 0.00 0.04 0.00 0.00 61.00 59.60 1f58 s PRO 151 Cb -0.16 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1f58 s PRO 151 CO 0.50 -0.39 -0.20 0.14 0.04 0.00 0.00 177.00 177.10 1f58 s VAL 152 N -2.78 2.63 -0.14 -0.36 -7.23 -1.26 -4.37 120.40 106.89 1f58 s VAL 152 Ca 0.23 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1f58 s VAL 152 Cb 0.01 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1f58 s VAL 152 CO 0.14 -0.03 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.92 1f58 s THR 153 N -1.46 3.51 -0.11 5.32 2.01 -0.25 -4.96 115.64 119.70 1f58 s THR 153 Ca 0.20 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1f58 s THR 153 Cb -0.09 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.93 1f58 s THR 153 CO 0.10 0.51 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.70 1f58 s VAL 154 N 0.30 1.55 0.30 3.82 1.01 -1.26 -1.26 120.40 124.85 1f58 s VAL 154 Ca -0.06 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1f58 s VAL 154 Cb -0.15 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 1f58 s VAL 154 CO 0.04 0.45 0.03 0.42 0.00 0.00 0.00 175.10 176.04 1f58 s THR 156 N 0.91 1.22 -0.09 3.92 -4.23 -0.28 -4.98 115.64 112.12 1f58 s THR 156 Ca -0.08 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1f58 s THR 156 Cb -0.15 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1f58 s THR 156 CO -0.01 -0.11 -0.18 0.26 -0.54 0.00 0.00 174.62 174.05 1f58 s TRP 157 N -3.28 2.04 -1.34 3.99 0.52 -1.26 -0.79 118.94 118.82 1f58 s TRP 157 Ca 0.34 -0.84 -0.02 0.00 0.02 0.00 0.00 56.10 55.60 1f58 s TRP 157 Cb 0.07 -1.42 -0.00 0.00 -1.15 0.00 0.00 33.47 30.98 1f58 s TRP 157 CO 0.14 -0.38 0.56 0.09 0.02 0.00 0.00 176.95 177.38 1f58 n ASN 162 N 3.76 -1.14 -1.70 2.95 4.13 0.12 -1.02 115.26 122.35 1f58 n ASN 162 Ca -0.21 -0.94 -0.13 0.00 1.68 0.00 0.00 54.58 54.99 1f58 n ASN 162 Cb 0.52 -3.46 -0.04 0.00 -1.54 0.00 0.00 39.78 35.26 1f58 n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1f58 n SER 163 N -2.98 -3.54 0.00 6.41 7.64 -1.26 -0.85 113.62 119.03 1f58 n SER 163 Ca -0.29 0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1f58 n SER 163 Cb 0.67 -3.22 0.00 0.00 -1.01 0.00 0.00 64.21 60.65 1f58 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f58 n GLY 164 N -0.41 1.62 0.35 0.23 0.00 -0.19 -4.94 105.19 101.85 1f58 n GLY 164 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 1f58 n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f58 h SER 165 N 0.00 1.12 -3.55 1.61 0.02 -0.97 -3.36 113.55 108.41 1f58 h SER 165 Ca 0.00 -0.11 -0.64 0.00 -0.84 0.00 0.00 61.79 60.20 1f58 h SER 165 Cb 0.00 -0.29 -0.14 0.00 0.14 0.00 0.00 62.40 62.11 1f58 h SER 165 CO 0.00 0.92 0.27 -0.76 -1.14 0.00 0.00 176.83 176.12 1f58 s LEU 166 N -9.88 4.38 0.00 5.07 1.43 -1.09 -4.82 118.68 113.77 1f58 s LEU 166 Ca -0.13 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1f58 s LEU 166 Cb 0.17 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1f58 s LEU 166 CO 0.83 -0.89 0.00 -1.54 0.23 0.00 0.00 176.35 174.98 1f58 n SER 167 N 6.58 4.54 -4.80 2.29 3.41 -1.26 -4.27 113.62 120.11 1f58 n SER 167 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1f58 n SER 167 Cb 0.48 0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 64.95 1f58 n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1f58 s SER 168 N -2.52 7.14 -0.75 4.04 0.01 -1.26 -3.94 113.70 116.42 1f58 s SER 168 Ca 0.00 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1f58 s SER 168 Cb 0.00 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1f58 s SER 168 CO 0.00 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1f58 n GLY 169 N 0.46 0.59 3.68 3.44 0.00 -1.26 -4.67 105.19 107.43 1f58 n GLY 169 Ca 0.01 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1f58 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f58 s VAL 171 N -2.33 4.41 -0.15 1.61 1.01 -1.25 -1.12 120.40 122.58 1f58 s VAL 171 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1f58 s VAL 171 Cb 0.00 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.55 1f58 s VAL 171 CO 0.00 0.59 0.01 -1.00 0.00 0.00 0.00 175.10 174.70 1f58 s HIS 172 N -0.72 1.06 -0.18 5.22 3.76 -0.00 -4.98 115.29 119.45 1f58 s HIS 172 Ca 0.11 -0.71 -0.04 0.00 -0.15 0.00 0.00 55.06 54.27 1f58 s HIS 172 Cb -0.12 -1.02 -0.02 0.00 1.11 0.00 0.00 32.58 32.53 1f58 s HIS 172 CO 0.02 -0.53 -0.03 0.99 -0.85 0.00 0.00 174.74 174.34 1f58 s THR 173 N 1.84 3.77 0.28 1.30 2.01 -1.26 -0.24 115.64 123.35 1f58 s THR 173 Ca 0.01 -0.39 -0.07 0.00 0.31 0.00 0.00 61.69 61.56 1f58 s THR 173 Cb -0.15 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.62 1f58 s THR 173 CO -0.07 0.46 0.57 -0.36 -0.69 0.00 0.00 174.62 174.53 1f58 s PHE 174 N 0.76 3.46 0.35 4.92 0.40 -0.40 -5.01 117.98 122.47 1f58 s PHE 174 Ca -0.01 0.74 -0.28 0.00 -0.60 0.00 0.00 56.93 56.78 1f58 s PHE 174 Cb -0.14 -2.18 -0.11 0.00 0.51 0.00 0.00 43.02 41.10 1f58 s PHE 174 CO 0.02 0.17 1.41 -2.14 0.70 0.00 0.00 175.22 175.38 1f58 s PRO 175 N -3.37 4.22 0.60 0.24 0.02 -1.26 -4.44 135.00 131.00 1f58 s PRO 175 Ca 0.46 2.42 -0.18 0.00 0.02 0.00 0.00 61.00 63.71 1f58 s PRO 175 Cb -0.11 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 1f58 s PRO 175 CO 0.28 -0.39 1.20 0.00 -0.33 0.00 0.00 177.00 177.75 1f58 s ALA 176 N -1.08 2.53 0.06 -1.55 0.00 -1.26 -4.83 121.76 115.63 1f58 s ALA 176 Ca 0.51 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.50 1f58 s ALA 176 Cb -0.44 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1f58 s ALA 176 CO 0.58 -1.18 -0.16 0.54 0.00 0.00 0.00 175.76 175.54 1f58 s VAL 177 N -1.66 1.28 0.00 0.00 0.11 -0.23 -4.93 120.40 114.97 1f58 s VAL 177 Ca 0.76 -1.24 -0.29 0.00 -2.93 0.00 0.00 61.98 58.28 1f58 s VAL 177 Cb -0.29 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 1f58 s VAL 177 CO 0.34 -0.08 0.95 -0.76 -3.33 0.00 0.00 175.10 172.21 1f58 s LEU 178 N -1.53 4.38 -0.39 2.54 1.43 -1.26 -1.21 118.68 122.64 1f58 s LEU 178 Ca 0.02 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 1f58 s LEU 178 Cb -0.09 -3.52 0.12 0.00 0.03 0.00 0.00 46.19 42.74 1f58 s LEU 178 CO 0.02 -0.22 0.19 -1.58 0.23 0.00 0.00 176.35 174.99 1f58 s GLN 179 N 0.88 1.08 -1.03 1.70 0.74 0.13 -4.86 119.66 118.30 1f58 s GLN 179 Ca 0.50 -1.69 -0.15 0.00 0.05 0.00 0.00 55.36 54.07 1f58 s GLN 179 Cb -0.21 -2.19 -0.01 0.00 1.10 0.00 0.00 33.01 31.71 1f58 s GLN 179 CO 0.27 -1.11 0.76 -1.13 -0.55 0.00 0.00 175.29 173.53 1f58 n SER 180 N 3.97 -5.66 0.00 6.67 3.41 -1.26 -2.47 113.62 118.27 1f58 n SER 180 Ca 0.06 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 1f58 n SER 180 Cb 0.37 -3.44 0.00 0.00 -0.26 0.00 0.00 64.21 60.88 1f58 n SER 180 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1f58 n ASP 183 N -2.54 0.00 -4.32 4.04 8.00 -1.26 -4.99 116.55 115.48 1f58 n ASP 183 Ca -0.11 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.16 1f58 n ASP 183 Cb 0.59 -0.82 -0.12 0.00 -0.02 0.00 0.00 41.12 40.76 1f58 n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f58 s LEU 184 N 0.00 2.40 0.20 0.64 1.43 -1.03 -4.81 118.68 117.50 1f58 s LEU 184 Ca 0.00 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 1f58 s LEU 184 Cb 0.00 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 45.30 1f58 s LEU 184 CO 0.00 -0.01 0.56 -0.31 0.23 0.00 0.00 176.35 176.82 1f58 s TYR 185 N -1.83 3.51 -0.03 0.29 2.02 0.17 0.23 117.35 121.71 1f58 s TYR 185 Ca 0.14 0.99 0.01 0.00 -0.37 0.00 0.00 57.07 57.84 1f58 s TYR 185 Cb -0.07 -2.33 0.02 0.00 -0.40 0.00 0.00 41.96 39.18 1f58 s TYR 185 CO 0.06 0.34 -0.04 0.99 -1.57 0.00 0.00 175.55 175.33 1f58 s THR 186 N -1.65 0.42 0.05 -0.71 2.01 -0.35 -0.94 115.64 114.47 1f58 s THR 186 Ca 0.43 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1f58 s THR 186 Cb -0.13 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 1f58 s THR 186 CO 0.20 0.18 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.04 1f58 s LEU 187 N 0.67 2.37 0.09 4.42 0.20 -0.32 -1.07 118.68 125.04 1f58 s LEU 187 Ca -0.08 -0.75 0.02 0.00 0.69 0.00 0.00 54.13 54.01 1f58 s LEU 187 Cb -0.11 0.06 -0.04 0.00 -0.43 0.00 0.00 46.19 45.67 1f58 s LEU 187 CO -0.00 -0.41 -0.07 -0.94 -0.29 0.00 0.00 176.35 174.63 1f58 s SER 188 N -2.21 1.17 -0.01 3.68 1.04 -1.26 -0.67 113.70 115.45 1f58 s SER 188 Ca -0.03 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.49 1f58 s SER 188 Cb -0.02 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1f58 s SER 188 CO -0.04 -0.40 -0.02 -0.55 0.98 0.00 0.00 173.24 173.21 1f58 s SER 189 N -2.78 0.38 0.19 7.02 0.15 -0.61 -1.27 113.70 116.78 1f58 s SER 189 Ca 0.08 -0.05 0.11 0.00 0.70 0.00 0.00 55.95 56.80 1f58 s SER 189 Cb 0.02 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1f58 s SER 189 CO -0.03 0.00 -0.22 -0.94 1.20 0.00 0.00 173.24 173.25 1f58 s SER 190 N 0.21 3.52 -0.01 5.45 1.04 0.67 -1.45 113.70 123.14 1f58 s SER 190 Ca -0.02 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1f58 s SER 190 Cb -0.04 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.78 1f58 s SER 190 CO -0.01 0.12 -0.01 0.54 0.98 0.00 0.00 173.24 174.87 1f58 s VAL 191 N -1.68 0.12 -0.16 5.02 0.11 -0.55 -0.82 120.40 122.44 1f58 s VAL 191 Ca 0.21 -0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1f58 s VAL 191 Cb -0.08 -0.14 -0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1f58 s VAL 191 CO 0.10 0.06 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.91 1f58 s THR 192 N 0.29 2.81 0.16 5.04 2.01 -0.28 -0.69 115.64 124.98 1f58 s THR 192 Ca -0.02 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1f58 s THR 192 Cb -0.05 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1f58 s THR 192 CO -0.01 0.50 -0.06 0.68 -0.69 0.00 0.00 174.62 175.04 1f58 s VAL 193 N 0.90 1.03 0.67 3.82 -7.23 -0.40 -4.68 120.40 114.51 1f58 s VAL 193 Ca -0.03 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 1f58 s VAL 193 Cb -0.15 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1f58 s VAL 193 CO -0.01 -0.63 1.17 -2.84 -0.31 0.00 0.00 175.10 172.48 1f58 s PRO 194 N -3.80 2.56 0.61 4.82 0.02 -1.26 -0.23 135.00 137.71 1f58 s PRO 194 Ca 0.20 1.64 0.39 0.00 0.02 0.00 0.00 61.00 63.24 1f58 s PRO 194 Cb 0.04 -1.90 1.88 0.00 0.02 0.00 0.00 34.50 34.54 1f58 s PRO 194 CO 0.02 -1.48 2.18 0.77 -0.33 0.00 0.00 177.00 178.16 1f58 h SER 195 N 0.09 0.00 0.37 2.53 0.02 0.41 -2.49 113.55 114.48 1f58 h SER 195 Ca -0.48 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.31 1f58 h SER 195 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1f58 h SER 195 CO 0.52 0.00 -0.68 0.77 -1.14 0.00 0.00 176.83 176.31 1f58 h SER 196 N 0.00 0.32 0.98 3.07 4.64 -1.91 -3.32 113.55 117.34 1f58 h SER 196 Ca -0.00 -0.20 -0.17 0.00 -0.47 0.00 0.00 61.79 60.94 1f58 h SER 196 Cb 0.26 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1f58 h SER 196 CO 0.00 0.91 -0.82 -0.65 -0.87 0.00 0.00 176.83 175.40 1f58 h PRO 198 N 0.19 0.00 -4.37 4.77 0.11 -1.82 -3.41 132.00 127.47 1f58 h PRO 198 Ca -0.02 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.73 1f58 h PRO 198 Cb 1.22 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.04 1f58 h PRO 198 CO 0.11 0.82 -0.77 0.50 -0.21 0.00 0.00 178.00 178.45 1f58 s ARG 199 N -2.98 0.59 0.00 1.05 3.00 -1.23 0.95 118.95 120.34 1f58 s ARG 199 Ca 0.01 -0.21 0.16 0.00 -1.00 0.00 0.00 55.73 54.69 1f58 s ARG 199 Cb 0.10 -0.58 0.93 0.00 0.00 0.00 0.00 34.95 35.40 1f58 s ARG 199 CO 0.79 0.10 1.60 -0.35 0.00 0.00 0.00 175.30 177.44 1f58 n PRO 200 N 3.16 1.05 -0.29 5.12 -0.04 -1.26 -4.69 135.00 138.03 1f58 n PRO 200 Ca -0.16 -0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.20 1f58 n PRO 200 Cb 0.56 -1.26 0.08 0.00 -0.04 0.00 0.00 33.50 32.85 1f58 n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1f58 h SER 202 N 0.14 0.90 -2.96 3.54 0.02 -1.79 -3.42 113.55 109.97 1f58 h SER 202 Ca 0.00 -0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 60.32 1f58 h SER 202 Cb 0.03 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 62.26 1f58 h SER 202 CO 0.00 0.64 -0.62 -1.61 -1.14 0.00 0.00 176.83 174.10 1f58 s GLU 203 N -6.12 2.65 0.04 3.45 8.01 0.27 -5.09 118.70 121.91 1f58 s GLU 203 Ca -0.13 -0.92 -0.22 0.00 0.01 0.00 0.00 54.97 53.70 1f58 s GLU 203 Cb 0.16 -2.53 -0.06 0.00 -4.31 0.00 0.00 34.13 27.39 1f58 s GLU 203 CO 0.79 0.50 0.67 0.95 0.01 0.00 0.00 175.26 178.17 1f58 s THR 204 N -1.60 4.76 -0.10 3.63 -4.23 -1.26 -4.42 115.64 112.42 1f58 s THR 204 Ca 0.28 1.43 0.03 0.00 -1.18 0.00 0.00 61.69 62.25 1f58 s THR 204 Cb -0.10 -4.01 -0.01 0.00 1.34 0.00 0.00 72.50 69.72 1f58 s THR 204 CO 0.20 0.43 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.81 1f58 s VAL 205 N -0.37 2.36 -0.05 2.29 1.01 -1.26 -5.01 120.40 119.37 1f58 s VAL 205 Ca 0.34 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1f58 s VAL 205 Cb -0.20 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.27 1f58 s VAL 205 CO 0.20 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.86 1f58 s THR 206 N 0.27 0.96 -0.17 3.92 2.01 -1.26 -1.18 115.64 120.20 1f58 s THR 206 Ca -0.15 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 1f58 s THR 206 Cb -0.17 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 1f58 s THR 206 CO 0.07 0.31 0.21 0.00 -0.69 0.00 0.00 174.62 174.52 1f58 s ASN 209 N 0.20 5.04 -0.09 0.00 -0.87 0.03 -1.02 114.94 118.23 1f58 s ASN 209 Ca 0.13 -0.06 0.02 0.00 -1.57 0.00 0.00 52.86 51.37 1f58 s ASN 209 Cb -0.12 -1.83 0.02 0.00 -0.02 0.00 0.00 41.25 39.29 1f58 s ASN 209 CO 0.02 0.18 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.91 1f58 s VAL 210 N 0.34 1.23 -0.10 1.60 1.01 0.57 -1.13 120.40 123.91 1f58 s VAL 210 Ca -0.02 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1f58 s VAL 210 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1f58 s VAL 210 CO 0.02 0.38 -0.21 0.00 0.00 0.00 0.00 175.10 175.29 1f58 s ALA 211 N 0.95 2.02 -0.47 5.51 0.00 -0.39 -0.45 121.76 128.94 1f58 s ALA 211 Ca -0.09 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1f58 s ALA 211 Cb -0.15 -0.82 0.12 0.00 0.00 0.00 0.00 23.12 22.28 1f58 s ALA 211 CO -0.00 0.17 0.20 -1.58 0.00 0.00 0.00 175.76 174.56 1f58 s HIS 212 N 0.53 3.26 0.23 0.00 2.46 0.23 -1.09 115.29 120.92 1f58 s HIS 212 Ca -0.15 -3.08 -0.07 0.00 0.47 0.00 0.00 55.06 52.22 1f58 s HIS 212 Cb -0.17 -2.79 0.38 0.00 -0.13 0.00 0.00 32.58 29.87 1f58 s HIS 212 CO 0.05 -0.80 1.69 -1.35 -2.47 0.00 0.00 174.74 171.87 1f58 h PRO 213 N 6.81 0.26 -0.83 2.88 0.11 -1.79 -0.74 132.00 138.69 1f58 h PRO 213 Ca -0.07 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.22 1f58 h PRO 213 Cb 0.93 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 31.86 1f58 h PRO 213 CO 0.63 0.17 0.31 0.00 -0.21 0.00 0.00 178.00 178.90 1f58 h ALA 214 N 1.55 1.23 -0.04 -0.75 0.00 -1.90 -1.02 119.26 118.33 1f58 h ALA 214 Ca 0.37 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1f58 h ALA 214 Cb 0.59 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1f58 h ALA 214 CO -0.46 -0.32 0.00 -1.13 0.00 0.00 0.00 179.25 177.34 1f58 n SER 215 N -5.08 2.84 -1.43 0.00 3.41 -0.95 -4.96 113.62 107.45 1f58 n SER 215 Ca 0.19 -1.91 -0.15 0.00 -0.26 0.00 0.00 58.87 56.74 1f58 n SER 215 Cb 0.56 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1f58 n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1f58 n SER 216 N 1.23 -4.65 -4.76 4.04 7.64 -0.37 -5.00 113.62 111.76 1f58 n SER 216 Ca 0.13 0.17 -0.40 0.00 1.01 0.00 0.00 58.87 59.78 1f58 n SER 216 Cb 0.55 -3.63 -0.06 0.00 -1.01 0.00 0.00 64.21 60.06 1f58 n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1f58 s THR 217 N -2.65 4.42 -0.04 0.44 2.01 -0.71 -4.93 115.64 114.17 1f58 s THR 217 Ca 0.00 1.81 -0.02 0.00 0.31 0.00 0.00 61.69 63.80 1f58 s THR 217 Cb 0.00 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.34 1f58 s THR 217 CO 0.00 0.45 0.06 -0.54 -0.69 0.00 0.00 174.62 173.90 1f58 s LYS 218 N -0.72 -0.06 -0.00 4.92 1.02 -1.26 -0.60 119.74 123.04 1f58 s LYS 218 Ca 0.39 0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.77 1f58 s LYS 218 Cb -0.23 -0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 36.55 1f58 s LYS 218 CO 0.27 -0.32 -0.10 0.08 -0.92 0.00 0.00 175.35 174.36 1f58 s VAL 219 N 2.12 0.78 -0.15 3.17 1.01 0.41 -4.98 120.40 122.75 1f58 s VAL 219 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1f58 s VAL 219 Cb -0.12 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.62 1f58 s VAL 219 CO -0.03 0.17 -0.09 -1.81 0.00 0.00 0.00 175.10 173.34 1f58 s ASP 220 N -0.38 2.74 -0.18 3.32 1.01 -1.26 -0.32 116.67 121.61 1f58 s ASP 220 Ca 0.03 -0.57 -0.04 0.00 0.71 0.00 0.00 52.55 52.68 1f58 s ASP 220 Cb -0.04 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 42.85 1f58 s ASP 220 CO -0.00 -0.13 -0.04 -0.54 0.21 0.00 0.00 175.17 174.67 1f58 s LYS 221 N 1.57 3.56 -0.03 8.23 -0.14 -0.19 -4.96 119.74 127.78 1f58 s LYS 221 Ca 0.02 -0.56 -0.23 0.00 -1.36 0.00 0.00 55.97 53.84 1f58 s LYS 221 Cb -0.14 -2.94 -0.04 0.00 -1.68 0.00 0.00 37.83 33.02 1f58 s LYS 221 CO -0.09 0.08 0.70 0.21 -0.76 0.00 0.00 175.35 175.49 1f58 s LYS 222 N 0.77 4.43 -0.46 1.68 2.20 -1.26 -1.33 119.74 125.77 1f58 s LYS 222 Ca -0.01 0.90 -0.25 0.00 -0.36 0.00 0.00 55.97 56.25 1f58 s LYS 222 Cb -0.15 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1f58 s LYS 222 CO 0.02 0.17 0.89 0.42 -0.36 0.00 0.00 175.35 176.48 1f58 s ILE 223 N 0.44 4.52 -0.01 5.43 -1.09 -0.32 -4.91 121.20 125.25 1f58 s ILE 223 Ca 0.37 0.67 0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1f58 s ILE 223 Cb -0.18 -4.41 -0.03 0.00 -1.58 0.00 0.00 42.46 36.25 1f58 s ILE 223 CO 0.19 -0.81 -0.04 -0.69 -1.23 0.00 0.00 174.94 172.36 1f58 s VAL 226 N 3.64 3.84 0.50 2.92 1.01 -1.26 -4.57 120.40 126.48 1f58 s VAL 226 Ca 0.35 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 1f58 s VAL 226 Cb -0.11 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 1f58 s VAL 226 CO 0.25 0.43 1.39 -0.81 0.00 0.00 0.00 175.10 176.36 1f58 n PRO 227 N 1.63 1.95 -2.07 2.72 -0.04 -1.26 -4.75 135.00 133.17 1f58 n PRO 227 Ca -0.16 0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 1f58 n PRO 227 Cb 0.53 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 1f58 n PRO 227 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1f58 s ARG 228 N -2.68 4.24 -0.83 0.54 0.52 -1.26 -4.96 118.95 114.52 1f58 s ARG 228 Ca 0.67 2.16 -0.20 0.00 -0.52 0.00 0.00 55.73 57.83 1f58 s ARG 228 Cb -0.43 -3.58 0.10 0.00 0.52 0.00 0.00 34.95 31.56 1f58 s ARG 228 CO 0.53 -0.66 1.08 0.34 0.02 0.00 0.00 175.30 176.61 1f58 s ASP 229 N 2.14 6.44 0.00 0.23 -1.08 -1.26 -4.94 116.67 118.19 1f58 s ASP 229 Ca 0.69 -1.59 0.30 0.00 -0.52 0.00 0.00 52.55 51.43 1f58 s ASP 229 Cb -0.36 -2.42 1.40 0.00 -1.46 0.00 0.00 42.92 40.09 1f58 s ASP 229 CO 0.29 -1.24 1.94 0.00 0.52 0.00 0.00 175.17 176.69