#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f58 s VAL 2 N 0.00 -0.96 -0.04 2.53 0.11 -1.26 -4.74 120.40 116.03 2f58 s VAL 2 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2f58 s VAL 2 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2f58 s VAL 2 CO 0.00 0.00 0.16 0.00 -3.33 0.00 0.00 175.10 171.93 2f58 s GLN 3 N 2.87 0.27 -0.09 1.54 -2.07 -0.45 -5.02 119.66 116.71 2f58 s GLN 3 Ca 0.09 0.05 -0.03 0.00 -1.82 0.00 0.00 55.36 53.65 2f58 s GLN 3 Cb -0.13 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 31.88 2f58 s GLN 3 CO -0.20 -0.05 0.03 -0.51 -1.32 0.00 0.00 175.29 173.24 2f58 s LEU 4 N -0.33 3.74 -0.18 2.60 1.02 -1.26 -0.53 118.68 123.74 2f58 s LEU 4 Ca -0.04 0.20 -0.03 0.00 0.02 0.00 0.00 54.13 54.28 2f58 s LEU 4 Cb -0.03 -1.88 0.06 0.00 0.02 0.00 0.00 46.19 44.35 2f58 s LEU 4 CO 0.01 0.38 0.04 -1.58 0.02 0.00 0.00 176.35 175.22 2f58 s GLN 5 N -0.95 0.56 0.14 1.70 2.00 -0.04 -4.20 119.66 118.87 2f58 s GLN 5 Ca 0.14 -0.32 -0.30 0.00 -2.00 0.00 0.00 55.36 52.88 2f58 s GLN 5 Cb -0.11 -1.96 -0.07 0.00 0.80 0.00 0.00 33.01 31.66 2f58 s GLN 5 CO 0.03 -0.61 1.26 -0.65 -0.50 0.00 0.00 175.29 174.82 2f58 s GLN 6 N 1.91 4.42 0.01 1.67 1.11 -1.26 -0.78 119.66 126.74 2f58 s GLN 6 Ca 0.00 1.92 0.02 0.00 0.01 0.00 0.00 55.36 57.32 2f58 s GLN 6 Cb -0.16 -3.26 -0.01 0.00 -1.01 0.00 0.00 33.01 28.56 2f58 s GLN 6 CO -0.08 -0.24 -0.07 0.45 0.01 0.00 0.00 175.29 175.36 2f58 s SER 7 N 0.63 0.79 0.00 5.90 0.15 0.11 -4.81 113.70 116.47 2f58 s SER 7 Ca 0.58 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2f58 s SER 7 Cb -0.33 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2f58 s SER 7 CO 0.34 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2f58 n GLY 8 N 2.51 1.33 3.65 9.45 0.00 -1.26 -1.16 105.19 119.70 2f58 n GLY 8 Ca -0.16 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 2f58 n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f58 n PRO 9 N -1.01 0.02 -0.04 1.61 -0.04 -1.26 -4.98 135.00 129.30 2f58 n PRO 9 Ca 0.00 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2f58 n PRO 9 Cb 0.00 -2.33 -0.14 0.00 -0.04 0.00 0.00 33.50 30.99 2f58 n PRO 9 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2f58 n ASP 10 N -3.07 0.72 -3.71 3.54 8.00 -1.26 -4.67 116.55 116.10 2f58 n ASP 10 Ca 0.12 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.42 2f58 n ASP 10 Cb 0.51 1.53 -0.18 0.00 -0.02 0.00 0.00 41.12 42.96 2f58 n ASP 10 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2f58 s LEU 11 N -4.64 0.40 -0.11 0.64 2.96 -1.25 0.06 118.68 116.73 2f58 s LEU 11 Ca -0.07 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 2f58 s LEU 11 Cb 0.10 -0.21 0.02 0.00 0.50 0.00 0.00 46.19 46.59 2f58 s LEU 11 CO 0.75 -0.22 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.73 2f58 s VAL 12 N 1.95 1.46 0.40 1.68 1.01 0.88 -4.98 120.40 122.81 2f58 s VAL 12 Ca 0.03 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 2f58 s VAL 12 Cb -0.12 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 2f58 s VAL 12 CO -0.03 0.43 1.25 -0.54 0.00 0.00 0.00 175.10 176.21 2f58 s LYS 13 N 1.05 4.03 0.56 2.72 1.02 -1.24 -1.84 119.74 126.03 2f58 s LYS 13 Ca -0.06 2.03 -0.21 0.00 0.02 0.00 0.00 55.97 57.75 2f58 s LYS 13 Cb -0.15 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 2f58 s LYS 13 CO -0.02 -0.40 1.36 -2.14 -0.92 0.00 0.00 175.35 173.23 2f58 s PRO 14 N -2.22 3.07 0.00 -1.68 0.02 -1.26 -2.79 135.00 130.13 2f58 s PRO 14 Ca 0.56 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.83 2f58 s PRO 14 Cb -0.35 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 31.95 2f58 s PRO 14 CO 0.45 -1.25 0.00 -1.13 -0.33 0.00 0.00 177.00 174.74 2f58 n SER 15 N -1.12 -0.84 -1.68 2.53 3.41 0.10 -4.93 113.62 111.09 2f58 n SER 15 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2f58 n SER 15 Cb 0.45 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2f58 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f58 n GLN 16 N -2.28 1.35 -4.97 4.33 6.02 -1.12 -4.56 117.38 116.15 2f58 n GLN 16 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 2f58 n GLN 16 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 2f58 n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2f58 s SER 17 N -0.99 3.84 -0.24 1.08 0.01 -1.26 -1.79 113.70 114.35 2f58 s SER 17 Ca 0.00 -0.25 -0.14 0.00 1.31 0.00 0.00 55.95 56.88 2f58 s SER 17 Cb 0.00 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 2f58 s SER 17 CO 0.00 0.34 0.31 -0.22 0.41 0.00 0.00 173.24 174.09 2f58 s LEU 18 N -0.71 4.09 -0.33 2.44 0.20 0.93 -4.90 118.68 120.40 2f58 s LEU 18 Ca 0.11 0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.24 2f58 s LEU 18 Cb -0.10 -2.35 0.10 0.00 -0.43 0.00 0.00 46.19 43.41 2f58 s LEU 18 CO 0.00 -0.08 0.09 -0.55 -0.29 0.00 0.00 176.35 175.52 2f58 s SER 19 N 1.31 4.27 0.16 3.68 0.15 -1.26 0.22 113.70 122.24 2f58 s SER 19 Ca 0.14 -1.87 0.03 0.00 0.70 0.00 0.00 55.95 54.95 2f58 s SER 19 Cb -0.15 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.98 2f58 s SER 19 CO 0.08 -0.40 0.28 -0.76 1.20 0.00 0.00 173.24 173.64 2f58 s LEU 20 N 1.30 4.29 -0.03 3.45 1.43 0.41 -4.66 118.68 124.88 2f58 s LEU 20 Ca 0.11 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 2f58 s LEU 20 Cb -0.18 -2.87 -0.00 0.00 0.03 0.00 0.00 46.19 43.17 2f58 s LEU 20 CO -0.18 0.04 -0.14 -0.89 0.23 0.00 0.00 176.35 175.41 2f58 s THR 21 N -1.76 1.15 -0.27 5.49 2.01 -0.31 -1.11 115.64 120.84 2f58 s THR 21 Ca 0.34 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.79 2f58 s THR 21 Cb -0.11 -0.99 0.07 0.00 0.01 0.00 0.00 72.50 71.48 2f58 s THR 21 CO 0.28 0.34 -0.07 0.00 -0.69 0.00 0.00 174.62 174.48 2f58 s THR 23 N 1.11 4.75 -0.49 0.00 2.01 0.04 -2.10 115.64 120.96 2f58 s THR 23 Ca -0.05 0.96 -0.16 0.00 0.31 0.00 0.00 61.69 62.76 2f58 s THR 23 Cb -0.20 -4.19 0.08 0.00 0.01 0.00 0.00 72.50 68.21 2f58 s THR 23 CO -0.06 -0.38 0.43 -0.69 -0.69 0.00 0.00 174.62 173.24 2f58 s VAL 24 N 3.05 5.20 -0.23 3.82 1.01 -1.03 -0.86 120.40 131.35 2f58 s VAL 24 Ca 0.31 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 2f58 s VAL 24 Cb -0.13 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2f58 s VAL 24 CO 0.16 -0.64 0.40 -0.89 0.00 0.00 0.00 175.10 174.12 2f58 s THR 25 N 1.73 5.18 0.00 3.92 2.01 0.31 -4.40 115.64 124.39 2f58 s THR 25 Ca 0.05 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.72 2f58 s THR 25 Cb -0.25 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.54 2f58 s THR 25 CO 0.07 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 2f58 n GLY 26 N 4.23 0.89 0.00 4.40 0.00 -1.26 -1.34 105.19 112.11 2f58 n GLY 26 Ca -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2f58 n GLY 26 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2f58 n TYR 27 N -2.52 0.00 -3.12 1.61 9.36 -1.26 -4.65 117.16 116.58 2f58 n TYR 27 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 2f58 n TYR 27 Cb 0.36 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.01 2f58 n TYR 27 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2f58 s SER 28 N 0.00 7.18 0.58 2.98 0.01 -1.26 -4.90 113.70 118.29 2f58 s SER 28 Ca 0.00 1.44 0.28 0.00 1.31 0.00 0.00 55.95 58.98 2f58 s SER 28 Cb 0.00 -2.42 1.65 0.00 0.21 0.00 0.00 66.02 65.45 2f58 s SER 28 CO 0.00 0.18 2.11 0.16 0.41 0.00 0.00 173.24 176.11 2f58 h ILE 29 N 3.22 0.51 -0.71 1.44 3.07 -1.91 0.11 117.51 123.24 2f58 h ILE 29 Ca -0.48 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 65.87 2f58 h ILE 29 Cb 1.20 0.86 -0.03 0.00 -0.27 0.00 0.00 36.82 38.58 2f58 h ILE 29 CO 0.65 0.00 0.21 0.74 -1.05 0.00 0.00 178.15 178.70 2f58 h THR 30 N 0.00 1.26 0.00 0.16 2.02 -1.94 -1.15 112.91 113.26 2f58 h THR 30 Ca 0.08 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2f58 h THR 30 Cb 0.44 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2f58 h THR 30 CO -0.00 0.35 0.00 -1.20 0.37 0.00 0.00 175.52 175.04 2f58 n SER 31 N -4.28 0.08 -4.83 4.18 7.64 0.38 -4.72 113.62 112.06 2f58 n SER 31 Ca 0.05 0.52 -0.34 0.00 1.01 0.00 0.00 58.87 60.12 2f58 n SER 31 Cb 0.23 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 2f58 n SER 31 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2f58 s GLY 32 N -3.07 2.45 -0.09 0.23 0.00 -0.44 -4.98 107.32 101.43 2f58 s GLY 32 Ca 0.05 0.15 -0.27 0.00 0.00 0.00 0.00 44.72 44.65 2f58 s GLY 32 CO 0.20 0.42 0.95 -1.82 0.00 0.00 0.00 173.10 172.86 2f58 h TYR 33 N 2.58 0.06 -1.94 1.90 3.20 -1.84 -3.39 116.97 117.54 2f58 h TYR 33 Ca -0.48 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.32 2f58 h TYR 33 Cb 1.18 -0.01 -0.21 0.00 1.54 0.00 0.00 36.73 39.24 2f58 h TYR 33 CO 0.62 0.87 0.20 -1.54 -1.64 0.00 0.00 178.16 176.67 2f58 s SER 34 N -6.12 -0.67 -0.19 -2.11 1.04 -1.20 -1.01 113.70 103.44 2f58 s SER 34 Ca -0.17 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 57.31 2f58 s SER 34 Cb -0.01 1.00 0.00 0.00 0.10 0.00 0.00 66.02 67.11 2f58 s SER 34 CO 0.70 -0.39 -0.13 0.26 0.98 0.00 0.00 173.24 174.67 2f58 s TRP 35 N -0.32 2.85 0.51 5.02 0.52 -0.99 -1.18 118.94 125.35 2f58 s TRP 35 Ca -0.04 -1.20 0.08 0.00 0.02 0.00 0.00 56.10 54.95 2f58 s TRP 35 Cb -0.03 -1.98 0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2f58 s TRP 35 CO 0.04 -0.61 0.56 -1.01 0.02 0.00 0.00 176.95 175.95 2f58 s HIS 35 N 1.23 1.98 -0.01 -1.98 3.76 -0.54 -1.95 115.29 117.77 2f58 s HIS 35 Ca 0.03 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2f58 s HIS 35 Cb -0.14 -2.15 0.02 0.00 1.11 0.00 0.00 32.58 31.42 2f58 s HIS 35 CO -0.06 -0.63 0.02 -1.58 -0.85 0.00 0.00 174.74 171.64 2f58 s TRP 36 N -2.60 0.04 0.00 1.40 0.52 -0.50 -1.34 118.94 116.46 2f58 s TRP 36 Ca 0.51 0.08 -0.02 0.00 0.02 0.00 0.00 56.10 56.69 2f58 s TRP 36 Cb -0.05 -0.18 -0.01 0.00 -1.15 0.00 0.00 33.47 32.08 2f58 s TRP 36 CO 0.31 -0.07 0.03 0.42 0.02 0.00 0.00 176.95 177.66 2f58 s ILE 37 N 0.76 0.06 0.11 2.03 1.01 0.92 -0.79 121.20 125.29 2f58 s ILE 37 Ca -0.06 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.19 2f58 s ILE 37 Cb -0.09 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 2f58 s ILE 37 CO -0.02 -0.25 -0.17 0.00 0.00 0.00 0.00 174.94 174.50 2f58 s ARG 38 N -0.77 1.04 -0.16 2.79 1.70 -0.35 0.14 118.95 123.34 2f58 s ARG 38 Ca -0.08 -1.16 -0.01 0.00 -0.47 0.00 0.00 55.73 54.00 2f58 s ARG 38 Cb -0.05 -1.10 0.04 0.00 -0.57 0.00 0.00 34.95 33.27 2f58 s ARG 38 CO -0.00 0.24 -0.03 -1.14 -1.08 0.00 0.00 175.30 173.29 2f58 s GLN 39 N -2.20 1.20 0.75 3.89 0.74 0.20 -0.48 119.66 123.77 2f58 s GLN 39 Ca 0.06 -0.45 -0.12 0.00 0.05 0.00 0.00 55.36 54.91 2f58 s GLN 39 Cb -0.08 -1.93 0.04 0.00 1.10 0.00 0.00 33.01 32.14 2f58 s GLN 39 CO 0.04 -0.46 1.11 -0.06 -0.55 0.00 0.00 175.29 175.37 2f58 s PHE 40 N 1.70 3.12 0.29 1.67 0.08 -0.53 -1.02 117.98 123.29 2f58 s PHE 40 Ca 0.01 1.01 -0.30 0.00 0.12 0.00 0.00 56.93 57.76 2f58 s PHE 40 Cb -0.15 -3.17 -0.12 0.00 -0.57 0.00 0.00 43.02 39.00 2f58 s PHE 40 CO -0.07 -1.47 1.45 -2.30 -0.10 0.00 0.00 175.22 172.73 2f58 n PRO 41 N -3.19 2.33 0.00 0.24 -0.02 -1.26 -0.94 135.00 132.16 2f58 n PRO 41 Ca 0.07 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2f58 n PRO 41 Cb 0.58 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2f58 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f58 n GLY 42 N 1.73 0.64 2.90 -1.23 0.00 -1.26 -4.46 105.19 103.51 2f58 n GLY 42 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2f58 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2f58 n ASN 43 N 0.00 -3.85 -4.72 1.61 4.13 -0.11 -4.97 115.26 107.35 2f58 n ASN 43 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 2f58 n ASN 43 Cb 0.00 -2.31 -0.03 0.00 -1.54 0.00 0.00 39.78 35.90 2f58 n ASN 43 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2f58 s LYS 44 N -1.18 4.22 -0.13 3.52 2.36 -1.21 -4.79 119.74 122.53 2f58 s LYS 44 Ca 0.00 2.34 -0.07 0.00 -2.55 0.00 0.00 55.97 55.70 2f58 s LYS 44 Cb 0.00 -3.16 -0.04 0.00 -1.05 0.00 0.00 37.83 33.58 2f58 s LYS 44 CO 0.00 -0.59 0.13 -0.51 1.55 0.00 0.00 175.35 175.93 2f58 s LEU 45 N 1.06 4.29 -0.07 5.43 1.43 -1.26 -1.45 118.68 128.10 2f58 s LEU 45 Ca 0.69 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.19 2f58 s LEU 45 Cb -0.43 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2f58 s LEU 45 CO 0.32 0.38 -0.01 -0.70 0.23 0.00 0.00 176.35 176.56 2f58 s GLU 46 N -0.84 0.73 0.15 1.70 2.12 0.37 -5.02 118.70 117.91 2f58 s GLU 46 Ca 0.14 0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 2f58 s GLU 46 Cb -0.12 -1.03 -0.08 0.00 0.26 0.00 0.00 34.13 33.17 2f58 s GLU 46 CO 0.03 -0.28 1.24 -0.46 -0.54 0.00 0.00 175.26 175.26 2f58 s TRP 47 N 1.84 3.37 -0.27 5.30 -0.00 -1.26 -1.21 118.94 126.72 2f58 s TRP 47 Ca 0.03 1.30 -0.05 0.00 -0.00 0.00 0.00 56.10 57.39 2f58 s TRP 47 Cb -0.12 -3.49 -0.15 0.00 -0.00 0.00 0.00 33.47 29.70 2f58 s TRP 47 CO -0.05 -1.49 -0.28 -1.33 -0.00 0.00 0.00 176.95 173.79 2f58 n MET 48 N 3.00 0.62 0.00 5.86 2.81 0.03 -4.73 117.12 124.71 2f58 n MET 48 Ca 0.06 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 2f58 n MET 48 Cb 0.44 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 2f58 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2f58 n GLY 49 N 1.84 0.04 3.79 3.03 0.00 -1.15 -2.13 105.19 110.62 2f58 n GLY 49 Ca -0.50 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 2f58 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2f58 s TYR 50 N -2.00 -0.03 -0.13 1.61 1.13 -0.04 -1.42 117.35 116.48 2f58 s TYR 50 Ca 0.00 -0.43 -0.01 0.00 -1.41 0.00 0.00 57.07 55.23 2f58 s TYR 50 Cb 0.00 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.49 2f58 s TYR 50 CO 0.00 -1.21 -0.04 -1.50 -2.51 0.00 0.00 175.55 170.29 2f58 s ILE 51 N -3.80 0.88 0.91 -3.49 2.07 -0.82 -2.15 121.20 114.79 2f58 s ILE 51 Ca 0.14 -0.35 -0.11 0.00 -1.41 0.00 0.00 60.65 58.92 2f58 s ILE 51 Cb -0.05 -1.03 0.14 0.00 0.13 0.00 0.00 42.46 41.66 2f58 s ILE 51 CO 0.08 0.21 1.11 -2.28 -1.91 0.00 0.00 174.94 172.15 2f58 s HIS 52 N 1.75 1.88 0.12 3.50 5.65 0.69 -2.34 115.29 126.53 2f58 s HIS 52 Ca 0.03 1.60 0.34 0.00 0.25 0.00 0.00 55.06 57.27 2f58 s HIS 52 Cb -0.14 -3.22 1.57 0.00 -1.18 0.00 0.00 32.58 29.61 2f58 s HIS 52 CO -0.07 -2.68 2.01 0.10 -0.65 0.00 0.00 174.74 173.45 2f58 h TYR 53 N -1.77 0.00 -0.17 3.88 -0.00 -1.28 -1.05 116.97 116.58 2f58 h TYR 53 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2f58 h TYR 53 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.00 2f58 h TYR 53 CO 0.48 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.51 2f58 n SER 54 N -2.84 1.58 0.00 0.10 3.41 -1.26 -4.87 113.62 109.75 2f58 n SER 54 Ca -0.00 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 2f58 n SER 54 Cb 0.20 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2f58 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f58 n ALA 55 N 0.11 0.00 -1.88 7.33 0.00 -0.40 -5.00 120.51 120.68 2f58 n ALA 55 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 2f58 n ALA 55 Cb 0.32 -0.30 0.07 0.00 0.00 0.00 0.00 19.45 19.54 2f58 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2f58 s GLY 56 N -2.00 1.61 0.23 0.00 0.00 -1.26 -4.79 107.32 101.12 2f58 s GLY 56 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.28 2f58 s GLY 56 CO 0.00 -0.05 0.03 -0.51 0.00 0.00 0.00 173.10 172.57 2f58 s THR 57 N -3.44 0.86 -0.23 0.90 -4.23 -1.26 -0.22 115.64 108.01 2f58 s THR 57 Ca 0.60 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.98 2f58 s THR 57 Cb -0.11 -2.42 0.08 0.00 1.34 0.00 0.00 72.50 71.39 2f58 s THR 57 CO 0.51 -0.24 0.54 0.21 -0.54 0.00 0.00 174.62 175.10 2f58 s ASN 58 N -3.30 -0.72 0.11 3.99 2.47 -0.91 -4.97 114.94 111.61 2f58 s ASN 58 Ca 0.31 1.21 0.09 0.00 0.42 0.00 0.00 52.86 54.89 2f58 s ASN 58 Cb 0.07 1.22 -0.04 0.00 -1.45 0.00 0.00 41.25 41.05 2f58 s ASN 58 CO 0.10 -0.22 -0.23 -0.31 -3.72 0.00 0.00 177.10 172.72 2f58 s TYR 59 N 1.77 1.97 -0.02 0.43 2.02 -1.26 -0.86 117.35 121.40 2f58 s TYR 59 Ca -0.09 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 2f58 s TYR 59 Cb -0.08 -1.09 -0.06 0.00 -0.40 0.00 0.00 41.96 40.33 2f58 s TYR 59 CO -0.16 0.24 1.67 1.21 -1.57 0.00 0.00 175.55 176.93 2f58 s ASN 60 N -1.89 6.65 0.26 2.29 3.84 -0.90 -4.79 114.94 120.40 2f58 s ASN 60 Ca 0.09 2.32 -0.10 0.00 0.21 0.00 0.00 52.86 55.38 2f58 s ASN 60 Cb -0.10 -2.54 0.41 0.00 -0.55 0.00 0.00 41.25 38.47 2f58 s ASN 60 CO 0.05 -0.92 1.57 -0.65 -2.79 0.00 0.00 177.10 174.36 2f58 h PRO 61 N 9.28 -0.00 0.00 0.43 0.11 -1.96 0.14 132.00 139.99 2f58 h PRO 61 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2f58 h PRO 61 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2f58 h PRO 61 CO 0.94 -0.00 0.41 0.66 -0.21 0.00 0.00 178.00 179.80 2f58 h SER 62 N -0.00 0.00 0.00 -2.05 4.64 -1.98 0.51 113.55 114.67 2f58 h SER 62 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2f58 h SER 62 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2f58 h SER 62 CO -0.97 0.00 -0.98 0.18 -0.87 0.00 0.00 176.83 174.19 2f58 n LEU 63 N -2.16 0.00 -0.04 5.97 4.77 0.37 -4.88 117.00 121.03 2f58 n LEU 63 Ca -0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 2f58 n LEU 63 Cb 0.43 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2f58 n LEU 63 CO 0.06 0.00 0.08 1.17 -1.33 0.00 0.00 177.39 177.36 2f58 n LYS 64 N -1.53 -0.05 -0.33 3.23 4.81 0.17 -0.45 118.16 124.01 2f58 n LYS 64 Ca 0.00 0.21 0.21 0.00 -0.87 0.00 0.00 58.31 57.86 2f58 n LYS 64 Cb 0.06 -0.31 0.40 0.00 0.02 0.00 0.00 35.03 35.21 2f58 n LYS 64 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2f58 h SER 65 N 0.00 -0.11 -0.03 3.14 4.64 -1.90 -3.15 113.55 116.14 2f58 h SER 65 Ca 0.02 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2f58 h SER 65 Cb 0.04 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2f58 h SER 65 CO -0.10 -0.36 0.00 -2.11 -0.87 0.00 0.00 176.83 173.39 2f58 n ARG 66 N -5.37 0.22 -3.95 4.77 1.85 0.40 -5.03 116.66 109.56 2f58 n ARG 66 Ca 0.29 -0.99 -0.28 0.00 -1.00 0.00 0.00 57.85 55.86 2f58 n ARG 66 Cb 0.95 -1.13 -0.04 0.00 -1.05 0.00 0.00 32.46 31.19 2f58 n ARG 66 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2f58 s ILE 67 N -0.61 5.28 -0.22 8.89 2.07 -1.10 -0.91 121.20 134.60 2f58 s ILE 67 Ca 0.09 -0.60 -0.09 0.00 -1.41 0.00 0.00 60.65 58.64 2f58 s ILE 67 Cb 0.06 -3.66 0.09 0.00 0.13 0.00 0.00 42.46 39.08 2f58 s ILE 67 CO 0.09 0.00 0.49 -0.55 -1.91 0.00 0.00 174.94 173.06 2f58 s SER 68 N -2.92 -0.56 -0.17 4.50 0.15 -0.76 -4.92 113.70 109.02 2f58 s SER 68 Ca 0.34 1.13 -0.00 0.00 0.70 0.00 0.00 55.95 58.13 2f58 s SER 68 Cb -0.12 1.37 0.01 0.00 -1.71 0.00 0.00 66.02 65.57 2f58 s SER 68 CO 0.28 -0.22 -0.15 -0.63 1.20 0.00 0.00 173.24 173.71 2f58 s ILE 69 N 2.24 2.55 0.45 6.45 1.01 -1.26 -1.92 121.20 130.71 2f58 s ILE 69 Ca -0.05 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2f58 s ILE 69 Cb -0.10 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2f58 s ILE 69 CO -0.15 0.51 0.07 0.42 0.00 0.00 0.00 174.94 175.79 2f58 s THR 70 N 1.09 0.88 0.21 2.92 -4.23 -1.08 -4.92 115.64 110.51 2f58 s THR 70 Ca -0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 2f58 s THR 70 Cb -0.14 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2f58 s THR 70 CO -0.05 0.00 0.33 0.00 -0.54 0.00 0.00 174.62 174.36 2f58 s ARG 71 N -3.78 1.35 -0.21 3.99 1.70 -1.26 -0.31 118.95 120.42 2f58 s ARG 71 Ca 0.17 -1.33 -0.04 0.00 -0.47 0.00 0.00 55.73 54.06 2f58 s ARG 71 Cb 0.02 0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.87 2f58 s ARG 71 CO 0.10 -0.52 0.08 0.34 -1.08 0.00 0.00 175.30 174.22 2f58 s ASP 72 N -3.04 2.86 0.22 -2.89 2.15 0.32 -4.94 116.67 111.35 2f58 s ASP 72 Ca 0.25 -0.87 -0.09 0.00 0.43 0.00 0.00 52.55 52.27 2f58 s ASP 72 Cb 0.02 -0.43 0.21 0.00 -0.30 0.00 0.00 42.92 42.42 2f58 s ASP 72 CO 0.07 -0.35 1.87 0.74 -0.17 0.00 0.00 175.17 177.33 2f58 h THR 73 N 6.46 1.15 -0.42 1.71 2.02 -1.96 0.26 112.91 122.12 2f58 h THR 73 Ca -0.16 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.56 2f58 h THR 73 Cb 1.11 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2f58 h THR 73 CO 0.34 0.18 -0.19 0.77 0.37 0.00 0.00 175.52 177.00 2f58 h SER 74 N 1.01 0.82 0.11 4.18 4.64 -1.96 -2.97 113.55 119.39 2f58 h SER 74 Ca 0.30 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2f58 h SER 74 Cb -0.04 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2f58 h SER 74 CO -0.09 1.00 -0.84 0.29 -0.87 0.00 0.00 176.83 176.31 2f58 n LYS 75 N -4.13 0.10 -3.52 4.77 5.02 -1.18 -5.00 118.16 114.22 2f58 n LYS 75 Ca 0.01 -0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 56.00 2f58 n LYS 75 Cb 0.42 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.01 2f58 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2f58 n ASN 76 N -1.38 -4.83 -3.92 4.39 5.15 0.90 -4.84 115.26 110.72 2f58 n ASN 76 Ca 0.05 -0.56 -0.11 0.00 -0.60 0.00 0.00 54.58 53.36 2f58 n ASN 76 Cb 0.34 -4.97 -0.13 0.00 -0.53 0.00 0.00 39.78 34.49 2f58 n ASN 76 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2f58 s GLN 77 N -5.96 0.16 0.20 1.20 -2.07 -1.10 -2.46 119.66 109.63 2f58 s GLN 77 Ca 0.38 -0.29 0.09 0.00 -1.82 0.00 0.00 55.36 53.72 2f58 s GLN 77 Cb -0.17 0.03 -0.04 0.00 -1.09 0.00 0.00 33.01 31.74 2f58 s GLN 77 CO 0.71 -0.02 -0.08 -0.59 -1.32 0.00 0.00 175.29 174.00 2f58 s PHE 78 N -0.67 2.63 0.31 9.60 -0.71 -0.89 -0.52 117.98 127.74 2f58 s PHE 78 Ca -0.07 -0.22 0.10 0.00 -1.04 0.00 0.00 56.93 55.69 2f58 s PHE 78 Cb -0.05 -1.26 -0.06 0.00 -1.21 0.00 0.00 43.02 40.45 2f58 s PHE 78 CO -0.00 0.54 -0.12 -0.06 -1.34 0.00 0.00 175.22 174.24 2f58 s PHE 79 N -1.86 2.29 -0.02 3.49 0.08 0.57 -0.96 117.98 121.56 2f58 s PHE 79 Ca 0.26 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.85 2f58 s PHE 79 Cb -0.08 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.15 2f58 s PHE 79 CO 0.16 0.57 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.61 2f58 s LEU 80 N -3.55 1.78 -0.01 -0.37 2.96 -0.27 -2.64 118.68 116.59 2f58 s LEU 80 Ca 0.31 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 2f58 s LEU 80 Cb 0.01 -0.44 -0.01 0.00 0.50 0.00 0.00 46.19 46.24 2f58 s LEU 80 CO 0.15 0.05 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.54 2f58 s GLN 81 N 0.20 0.90 -0.04 1.98 0.74 -0.81 -0.45 119.66 122.18 2f58 s GLN 81 Ca -0.03 -0.39 -0.00 0.00 0.05 0.00 0.00 55.36 54.99 2f58 s GLN 81 Cb -0.07 -0.87 0.03 0.00 1.10 0.00 0.00 33.01 33.20 2f58 s GLN 81 CO 0.00 0.23 0.00 -1.17 -0.55 0.00 0.00 175.29 173.80 2f58 s LEU 82 N -0.24 0.89 0.43 3.68 2.96 0.13 -1.82 118.68 124.72 2f58 s LEU 82 Ca 0.04 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2f58 s LEU 82 Cb -0.04 -0.30 -0.00 0.00 0.50 0.00 0.00 46.19 46.34 2f58 s LEU 82 CO -0.00 -0.14 0.63 0.20 -1.32 0.00 0.00 176.35 175.72 2f58 s ASN 82 N 1.42 5.86 -0.85 3.68 0.02 -0.09 -0.05 114.94 124.93 2f58 s ASN 82 Ca -0.04 0.19 -0.02 0.00 -1.02 0.00 0.00 52.86 51.97 2f58 s ASN 82 Cb -0.13 -1.47 0.00 0.00 0.02 0.00 0.00 41.25 39.67 2f58 s ASN 82 CO -0.03 -0.65 0.61 -1.20 0.02 0.00 0.00 177.10 175.86 2f58 n SER 82 N -1.99 -4.91 -4.72 -1.22 7.64 -1.08 -4.87 113.62 102.47 2f58 n SER 82 Ca 0.01 -0.96 -0.41 0.00 1.01 0.00 0.00 58.87 58.52 2f58 n SER 82 Cb 0.58 -1.80 -0.04 0.00 -1.01 0.00 0.00 64.21 61.94 2f58 n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2f58 s VAL 82 N -3.02 4.27 0.48 0.44 -7.23 -0.74 -4.77 120.40 109.83 2f58 s VAL 82 Ca 0.03 1.79 0.05 0.00 -1.81 0.00 0.00 61.98 62.04 2f58 s VAL 82 Cb -0.02 -4.15 -0.02 0.00 0.56 0.00 0.00 36.38 32.76 2f58 s VAL 82 CO 0.90 0.23 0.16 0.42 -0.31 0.00 0.00 175.10 176.49 2f58 s THR 83 N 0.35 1.73 0.55 5.32 -4.23 -1.26 0.01 115.64 118.11 2f58 s THR 83 Ca 0.51 -1.78 0.21 0.00 -1.18 0.00 0.00 61.69 59.46 2f58 s THR 83 Cb -0.26 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.38 2f58 s THR 83 CO 0.31 0.00 2.18 0.71 -0.54 0.00 0.00 174.62 177.28 2f58 h THR 84 N 1.27 0.81 0.00 3.99 1.35 -1.97 -0.43 112.91 117.93 2f58 h THR 84 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2f58 h THR 84 Cb 1.28 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2f58 h THR 84 CO 0.69 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.34 2f58 n GLU 85 N -4.27 0.46 -0.57 4.72 1.02 -1.26 -1.98 120.64 118.76 2f58 n GLU 85 Ca -0.03 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.22 2f58 n GLU 85 Cb 0.11 -1.40 0.36 0.00 -0.02 0.00 0.00 31.44 30.48 2f58 n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2f58 n ASP 86 N -0.90 4.62 -4.56 1.62 8.00 -0.17 -4.87 116.55 120.29 2f58 n ASP 86 Ca 0.09 -2.34 -0.41 0.00 0.71 0.00 0.00 54.79 52.83 2f58 n ASP 86 Cb 0.04 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 40.50 2f58 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2f58 s THR 87 N -1.64 4.96 0.15 -3.53 2.01 -0.84 -4.77 115.64 111.99 2f58 s THR 87 Ca 0.51 0.44 -0.18 0.00 0.31 0.00 0.00 61.69 62.78 2f58 s THR 87 Cb 0.32 -4.01 0.06 0.00 0.01 0.00 0.00 72.50 68.88 2f58 s THR 87 CO 0.27 -0.25 0.86 0.00 -0.69 0.00 0.00 174.62 174.81 2f58 n ALA 88 N 5.86 -2.26 -2.76 7.40 0.00 -1.17 -4.57 120.51 123.01 2f58 n ALA 88 Ca -0.03 -0.85 -0.35 0.00 0.00 0.00 0.00 53.44 52.20 2f58 n ALA 88 Cb 0.49 0.47 -0.08 0.00 0.00 0.00 0.00 19.45 20.33 2f58 n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2f58 s THR 89 N -2.14 5.43 -0.02 0.00 2.01 -0.19 -2.36 115.64 118.36 2f58 s THR 89 Ca 0.19 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.40 2f58 s THR 89 Cb -0.02 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2f58 s THR 89 CO 0.04 0.48 0.03 -0.31 -0.69 0.00 0.00 174.62 174.18 2f58 s TYR 90 N 0.05 3.18 -0.00 4.92 1.51 -0.33 0.63 117.35 127.31 2f58 s TYR 90 Ca 0.10 0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 2f58 s TYR 90 Cb -0.11 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 40.02 2f58 s TYR 90 CO -0.01 0.50 0.01 0.71 -1.11 0.00 0.00 175.55 175.65 2f58 s TYR 91 N -1.08 0.01 0.11 2.71 2.02 0.12 -0.62 117.35 120.63 2f58 s TYR 91 Ca 0.19 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.94 2f58 s TYR 91 Cb -0.12 -0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.35 2f58 s TYR 91 CO 0.10 -0.02 0.23 0.00 -1.57 0.00 0.00 175.55 174.28 2f58 s ALA 93 N -1.63 0.91 0.14 0.00 0.00 -0.45 -2.20 121.76 118.52 2f58 s ALA 93 Ca 0.34 -1.55 0.11 0.00 0.00 0.00 0.00 51.96 50.86 2f58 s ALA 93 Cb -0.12 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.26 2f58 s ALA 93 CO 0.27 -0.69 -0.25 0.50 0.00 0.00 0.00 175.76 175.59 2f58 s ARG 94 N -3.85 1.39 -0.07 0.00 3.52 -0.26 -1.47 118.95 118.21 2f58 s ARG 94 Ca 0.34 -1.37 0.04 0.00 -0.13 0.00 0.00 55.73 54.61 2f58 s ARG 94 Cb 0.03 -1.80 0.00 0.00 -1.56 0.00 0.00 34.95 31.62 2f58 s ARG 94 CO 0.15 0.42 -0.18 -2.00 -0.81 0.00 0.00 175.30 172.87 2f58 s GLU 95 N -2.22 2.16 0.15 5.12 2.12 -0.32 -2.20 118.70 123.51 2f58 s GLU 95 Ca 0.15 -0.65 -0.06 0.00 0.36 0.00 0.00 54.97 54.77 2f58 s GLU 95 Cb -0.09 -1.76 -0.02 0.00 0.26 0.00 0.00 34.13 32.52 2f58 s GLU 95 CO 0.07 0.17 0.20 -1.21 -0.54 0.00 0.00 175.26 173.95 2f58 s GLU 96 N 0.29 1.08 0.12 4.30 0.41 0.05 -3.28 118.70 121.67 2f58 s GLU 96 Ca -0.11 -1.28 -0.31 0.00 -0.41 0.00 0.00 54.97 52.85 2f58 s GLU 96 Cb -0.15 0.33 -0.08 0.00 -1.78 0.00 0.00 34.13 32.45 2f58 s GLU 96 CO 0.05 -0.37 1.42 0.00 -0.49 0.00 0.00 175.26 175.87 2f58 s ALA 97 N -4.00 3.62 -0.08 5.21 0.00 -1.26 -1.47 121.76 123.77 2f58 s ALA 97 Ca 0.20 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.36 2f58 s ALA 97 Cb 0.05 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2f58 s ALA 97 CO 0.01 -0.64 -0.21 -1.64 0.00 0.00 0.00 175.76 173.29 2f58 s MET 98 N 1.08 2.55 -0.45 0.00 -1.94 -1.26 -4.93 119.30 114.35 2f58 s MET 98 Ca 0.65 -0.74 -0.27 0.00 -1.71 0.00 0.00 55.69 53.62 2f58 s MET 98 Cb -0.38 -2.00 -0.05 0.00 2.01 0.00 0.00 34.83 34.42 2f58 s MET 98 CO 0.31 0.17 2.15 -2.14 -0.01 0.00 0.00 175.02 175.49 2f58 s PRO 99 N 0.33 2.60 -0.14 2.03 0.02 -1.26 -4.69 135.00 133.89 2f58 s PRO 99 Ca -0.15 1.33 -0.01 0.00 0.02 0.00 0.00 61.00 62.19 2f58 s PRO 99 Cb -0.16 -4.44 -0.02 0.00 0.02 0.00 0.00 34.50 29.90 2f58 s PRO 99 CO 0.06 -2.72 -0.10 -0.47 -0.33 0.00 0.00 177.00 173.45 2f58 s TYR 100 N 9.92 2.87 0.00 6.54 5.04 0.11 -5.01 117.35 136.82 2f58 s TYR 100 Ca 0.88 -0.59 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 2f58 s TYR 100 Cb -0.20 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.23 2f58 s TYR 100 CO 0.27 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.70 2f58 n GLY 100 N 3.62 0.42 3.44 8.97 0.00 -1.26 -3.59 105.19 116.79 2f58 n GLY 100 Ca -0.18 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2f58 n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f58 s ASN 100 N -4.00 5.73 -1.49 1.61 0.01 -1.26 -4.48 114.94 111.06 2f58 s ASN 100 Ca 0.00 -0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 51.38 2f58 s ASN 100 Cb 0.00 -2.04 0.06 0.00 0.41 0.00 0.00 41.25 39.68 2f58 s ASN 100 CO 0.00 -0.27 1.01 0.00 -1.51 0.00 0.00 177.10 176.33 2f58 n GLN 100 N 5.02 -6.07 -4.18 -0.60 1.13 -1.26 -5.24 117.38 106.18 2f58 n GLN 100 Ca -0.13 0.66 -0.21 0.00 -1.94 0.00 0.00 57.00 55.38 2f58 n GLN 100 Cb 0.48 -5.59 -0.07 0.00 0.11 0.00 0.00 30.24 25.17 2f58 n GLN 100 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2f58 n ALA 100 N -4.70 0.62 -3.21 -1.58 0.00 -1.24 -5.08 120.51 105.33 2f58 n ALA 100 Ca 0.03 -1.89 -0.25 0.00 0.00 0.00 0.00 53.44 51.33 2f58 n ALA 100 Cb 0.54 1.41 -0.16 0.00 0.00 0.00 0.00 19.45 21.24 2f58 n ALA 100 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2f58 s TYR 100 N -3.15 1.50 0.17 0.00 1.51 -1.25 0.08 117.35 116.21 2f58 s TYR 100 Ca 0.29 -0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 55.74 2f58 s TYR 100 Cb 0.01 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.81 2f58 s TYR 100 CO 0.21 -0.22 0.36 0.00 -1.11 0.00 0.00 175.55 174.79 2f58 s ALA 100 N 0.38 -0.30 -0.71 3.71 0.00 -0.54 -4.87 121.76 119.42 2f58 s ALA 100 Ca -0.10 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 50.99 2f58 s ALA 100 Cb -0.13 0.84 0.09 0.00 0.00 0.00 0.00 23.12 23.92 2f58 s ALA 100 CO 0.03 -0.69 0.96 -1.64 0.00 0.00 0.00 175.76 174.42 2f58 s MET 100 N -3.93 3.21 -0.14 0.00 -1.94 -1.25 -0.77 119.30 114.47 2f58 s MET 100 Ca 0.14 -1.12 0.17 0.00 -1.71 0.00 0.00 55.69 53.17 2f58 s MET 100 Cb 0.02 -4.40 -0.25 0.00 2.01 0.00 0.00 34.83 32.21 2f58 s MET 100 CO -0.01 -1.77 0.16 -0.40 -0.01 0.00 0.00 175.02 172.99 2f58 n ASP 101 N 7.23 0.40 -4.17 3.03 5.75 -0.94 -4.92 116.55 122.94 2f58 n ASP 101 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.48 2f58 n ASP 101 Cb 0.46 1.21 -0.17 0.00 -1.03 0.00 0.00 41.12 41.59 2f58 n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2f58 s TRP 103 N 0.67 1.97 1.03 0.00 0.52 -1.26 -1.10 118.94 120.78 2f58 s TRP 103 Ca -0.11 -0.41 -0.17 0.00 0.02 0.00 0.00 56.10 55.42 2f58 s TRP 103 Cb -0.16 -1.04 0.23 0.00 -1.15 0.00 0.00 33.47 31.35 2f58 s TRP 103 CO 0.02 0.30 1.30 0.20 0.02 0.00 0.00 176.95 178.78 2f58 s GLY 104 N -2.19 1.77 0.38 0.98 0.00 -0.94 -4.76 107.32 102.56 2f58 s GLY 104 Ca 0.12 -1.24 0.09 0.00 0.00 0.00 0.00 44.72 43.68 2f58 s GLY 104 CO 0.06 -0.41 1.90 1.46 0.00 0.00 0.00 173.10 176.11 2f58 h GLN 105 N -1.91 0.26 0.00 2.90 7.50 -1.92 -3.46 115.11 118.48 2f58 h GLN 105 Ca -0.44 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 58.65 2f58 h GLN 105 Cb 1.23 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.73 2f58 h GLN 105 CO 0.33 0.40 0.00 0.41 -1.50 0.00 0.00 178.83 178.47 2f58 n GLY 106 N -0.84 2.15 2.93 3.46 0.00 -1.26 -5.05 105.19 106.59 2f58 n GLY 106 Ca -0.01 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 2f58 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2f58 s THR 107 N -1.56 0.74 -0.24 2.61 -1.32 0.21 -4.91 115.64 111.17 2f58 s THR 107 Ca 0.00 -0.23 -0.27 0.00 -1.21 0.00 0.00 61.69 59.98 2f58 s THR 107 Cb 0.00 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 2f58 s THR 107 CO 0.00 0.27 0.95 -0.89 -2.21 0.00 0.00 174.62 172.74 2f58 s THR 108 N 0.90 4.74 -0.19 5.08 2.01 -1.26 -1.19 115.64 125.73 2f58 s THR 108 Ca -0.11 1.82 -0.04 0.00 0.31 0.00 0.00 61.69 63.67 2f58 s THR 108 Cb -0.15 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 2f58 s THR 108 CO 0.01 -0.14 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.06 2f58 s VAL 109 N 3.06 3.60 -0.19 3.82 1.01 -0.99 -4.55 120.40 126.15 2f58 s VAL 109 Ca 0.40 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2f58 s VAL 109 Cb -0.15 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2f58 s VAL 109 CO 0.07 0.45 -0.05 -0.89 0.00 0.00 0.00 175.10 174.68 2f58 s THR 110 N 0.96 3.46 -0.43 3.92 2.01 0.11 -3.03 115.64 122.63 2f58 s THR 110 Ca 0.00 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 2f58 s THR 110 Cb -0.15 -2.54 0.07 0.00 0.01 0.00 0.00 72.50 69.89 2f58 s THR 110 CO 0.01 0.45 0.31 -0.69 -0.69 0.00 0.00 174.62 174.01 2f58 s VAL 111 N 1.02 4.70 0.11 3.82 1.01 -1.26 -0.08 120.40 129.72 2f58 s VAL 111 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.58 2f58 s VAL 111 Cb -0.15 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.49 2f58 s VAL 111 CO 0.00 -0.50 0.55 -0.55 0.00 0.00 0.00 175.10 174.60 2f58 s SER 112 N 2.22 -0.48 0.01 3.32 0.15 -0.77 -4.61 113.70 113.55 2f58 s SER 112 Ca 0.03 0.02 0.23 0.00 0.70 0.00 0.00 55.95 56.93 2f58 s SER 112 Cb -0.23 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2f58 s SER 112 CO 0.05 -0.86 1.07 -1.54 1.20 0.00 0.00 173.24 173.15 2f58 n SER 113 N -0.08 0.75 -4.74 5.45 3.41 -1.26 -3.68 113.62 113.46 2f58 n SER 113 Ca -0.17 -0.60 -0.31 0.00 -0.26 0.00 0.00 58.87 57.53 2f58 n SER 113 Cb 0.63 0.76 0.11 0.00 -0.26 0.00 0.00 64.21 65.45 2f58 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f58 s ALA 114 N -3.05 2.01 0.17 7.33 0.00 -1.26 -5.03 121.76 121.93 2f58 s ALA 114 Ca 0.08 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 2f58 s ALA 114 Cb 0.16 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 2f58 s ALA 114 CO 0.81 -2.04 0.42 0.15 0.00 0.00 0.00 175.76 175.09 2f58 s LYS 115 N -4.85 3.64 -0.06 0.00 -0.14 -1.26 -5.05 119.74 112.02 2f58 s LYS 115 Ca 0.63 -0.05 -0.29 0.00 -1.36 0.00 0.00 55.97 54.89 2f58 s LYS 115 Cb -0.18 -2.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.10 2f58 s LYS 115 CO 0.57 0.42 1.87 0.99 -0.76 0.00 0.00 175.35 178.44 2f58 s THR 116 N -1.73 3.26 -0.10 2.17 2.01 -1.26 -4.77 115.64 115.21 2f58 s THR 116 Ca 0.42 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.75 2f58 s THR 116 Cb -0.12 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.18 2f58 s THR 116 CO 0.25 -0.06 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.06 2f58 s THR 117 N 5.01 1.63 0.55 -0.82 2.01 -0.09 -4.95 115.64 118.97 2f58 s THR 117 Ca 0.84 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 61.91 2f58 s THR 117 Cb -0.36 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.63 2f58 s THR 117 CO 0.36 0.47 1.13 -2.16 -0.69 0.00 0.00 174.62 173.72 2f58 s PRO 118 N 0.79 3.34 0.57 4.92 0.04 -1.26 -1.31 135.00 142.09 2f58 s PRO 118 Ca -0.10 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.46 2f58 s PRO 118 Cb -0.16 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2f58 s PRO 118 CO 0.01 -0.85 0.90 -1.25 0.04 0.00 0.00 177.00 175.85 2f58 s PRO 119 N -3.32 3.26 -0.20 0.56 0.04 -1.26 -4.52 135.00 129.56 2f58 s PRO 119 Ca 0.72 0.25 -0.05 0.00 0.04 0.00 0.00 61.00 61.96 2f58 s PRO 119 Cb -0.24 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2f58 s PRO 119 CO 0.27 -0.53 0.01 -1.12 0.04 0.00 0.00 177.00 175.68 2f58 s SER 120 N -4.22 4.95 -0.21 6.66 0.01 -0.45 -4.96 113.70 115.49 2f58 s SER 120 Ca 0.52 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 2f58 s SER 120 Cb -0.11 -1.85 -0.02 0.00 0.21 0.00 0.00 66.02 64.26 2f58 s SER 120 CO 0.47 0.07 -0.02 -0.69 0.41 0.00 0.00 173.24 173.48 2f58 s VAL 121 N 0.98 3.71 -0.11 3.43 1.01 -1.26 -1.24 120.40 126.93 2f58 s VAL 121 Ca 0.02 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2f58 s VAL 121 Cb -0.14 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 2f58 s VAL 121 CO 0.02 0.42 -0.21 -0.31 0.00 0.00 0.00 175.10 175.02 2f58 s TYR 122 N 1.23 2.63 0.28 5.22 2.02 0.83 -4.99 117.35 124.56 2f58 s TYR 122 Ca 0.03 -0.96 -0.29 0.00 -0.37 0.00 0.00 57.07 55.47 2f58 s TYR 122 Cb -0.15 -1.75 -0.10 0.00 -0.40 0.00 0.00 41.96 39.57 2f58 s TYR 122 CO 0.00 -0.38 1.10 -1.25 -1.57 0.00 0.00 175.55 173.45 2f58 s PRO 123 N 0.38 4.64 -0.51 -1.71 0.04 -1.26 -0.33 135.00 136.25 2f58 s PRO 123 Ca -0.16 1.81 0.03 0.00 0.04 0.00 0.00 61.00 62.71 2f58 s PRO 123 Cb -0.17 -3.19 0.13 0.00 0.04 0.00 0.00 34.50 31.31 2f58 s PRO 123 CO 0.07 0.21 0.25 -0.51 0.04 0.00 0.00 177.00 177.07 2f58 s LEU 124 N -1.43 4.54 0.11 -3.56 1.43 0.26 -4.85 118.68 115.17 2f58 s LEU 124 Ca 0.45 -2.84 -0.10 0.00 -1.03 0.00 0.00 54.13 50.60 2f58 s LEU 124 Cb -0.32 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 2f58 s LEU 124 CO 0.41 -0.28 0.44 0.00 0.23 0.00 0.00 176.35 177.15 2f58 s ALA 125 N -0.05 3.69 0.18 4.21 0.00 -1.26 -2.30 121.76 126.22 2f58 s ALA 125 Ca 0.16 -0.34 -0.33 0.00 0.00 0.00 0.00 51.96 51.45 2f58 s ALA 125 Cb -0.24 -2.32 -0.14 0.00 0.00 0.00 0.00 23.12 20.42 2f58 s ALA 125 CO -0.02 0.55 1.46 -2.30 0.00 0.00 0.00 175.76 175.46 2f58 n PRO 126 N 0.75 1.92 0.00 0.00 -0.02 -1.26 -4.77 135.00 131.62 2f58 n PRO 126 Ca -0.06 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2f58 n PRO 126 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2f58 n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f58 n GLY 127 N 2.79 0.00 2.44 -1.23 0.00 -1.26 -4.46 105.19 103.47 2f58 n GLY 127 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 2f58 n GLY 127 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2f58 n SER 128 N -1.55 -4.79 0.00 1.61 2.88 -1.26 -4.68 113.62 105.83 2f58 n SER 128 Ca 0.00 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 2f58 n SER 128 Cb 0.00 -3.21 0.00 0.00 -0.75 0.00 0.00 64.21 60.25 2f58 n SER 128 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2f58 n ALA 129 N -2.14 0.00 -3.35 -1.46 0.00 -1.26 -4.55 120.51 107.74 2f58 n ALA 129 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 2f58 n ALA 129 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 2f58 n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f58 n ALA 130 N 0.00 4.26 -3.00 0.00 0.00 -1.26 -4.91 120.51 115.60 2f58 n ALA 130 Ca 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.77 2f58 n ALA 130 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 2f58 n ALA 130 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2f58 n GLN 133 N 2.52 0.00 0.00 0.00 7.27 -1.26 -4.12 117.38 121.79 2f58 n GLN 133 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.31 2f58 n GLN 133 Cb 0.38 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.03 2f58 n GLN 133 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2f58 n THR 134 N 0.00 0.00 -1.68 1.69 -1.04 -1.26 -4.91 114.28 107.08 2f58 n THR 134 Ca 0.00 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.56 2f58 n THR 134 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2f58 n THR 134 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2f58 n ASN 135 N 1.34 3.23 0.00 8.00 3.02 -1.26 -4.80 115.26 124.79 2f58 n ASN 135 Ca 0.00 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 2f58 n ASN 135 Cb 0.00 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.72 2f58 n ASN 135 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2f58 n SER 136 N 3.45 0.00 -3.93 6.41 2.88 -1.26 -4.64 113.62 116.52 2f58 n SER 136 Ca 0.17 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.46 2f58 n SER 136 Cb 0.30 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.59 2f58 n SER 136 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2f58 s MET 137 N 0.00 1.36 0.03 -1.46 -1.94 -1.26 -3.40 119.30 112.63 2f58 s MET 137 Ca 0.00 -0.24 -0.19 0.00 -1.71 0.00 0.00 55.69 53.55 2f58 s MET 137 Cb 0.00 -1.32 -0.06 0.00 2.01 0.00 0.00 34.83 35.46 2f58 s MET 137 CO 0.00 -0.13 0.55 0.08 -0.01 0.00 0.00 175.02 175.51 2f58 s VAL 138 N 1.21 4.86 -0.22 -6.03 1.01 0.45 -4.87 120.40 116.82 2f58 s VAL 138 Ca -0.05 1.16 -0.06 0.00 0.00 0.00 0.00 61.98 63.03 2f58 s VAL 138 Cb -0.14 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2f58 s VAL 138 CO -0.02 0.50 0.02 -0.89 0.00 0.00 0.00 175.10 174.71 2f58 s THR 139 N -0.71 4.00 0.50 3.92 2.01 -1.26 -0.54 115.64 123.55 2f58 s THR 139 Ca 0.29 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.03 2f58 s THR 139 Cb -0.18 -2.83 0.03 0.00 0.01 0.00 0.00 72.50 69.53 2f58 s THR 139 CO 0.17 0.40 0.26 0.18 -0.69 0.00 0.00 174.62 174.95 2f58 n LEU 140 N 4.47 0.00 0.00 4.42 4.77 0.14 -4.52 117.00 126.28 2f58 n LEU 140 Ca -0.17 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 2f58 n LEU 140 Cb 0.52 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2f58 n LEU 140 CO 0.31 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 2f58 n GLY 141 N -1.00 1.60 2.95 -0.72 0.00 -0.98 -1.56 105.19 105.49 2f58 n GLY 141 Ca -0.08 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 2f58 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f58 s LEU 143 N 0.59 4.42 -0.32 0.00 2.96 0.55 -1.71 118.68 125.18 2f58 s LEU 143 Ca -0.04 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.12 2f58 s LEU 143 Cb -0.06 -2.99 0.09 0.00 0.50 0.00 0.00 46.19 43.73 2f58 s LEU 143 CO -0.03 0.08 0.01 -0.69 -1.32 0.00 0.00 176.35 174.40 2f58 s VAL 144 N -0.13 2.32 0.12 1.68 1.01 0.62 -0.12 120.40 125.90 2f58 s VAL 144 Ca 0.33 -2.11 0.07 0.00 0.00 0.00 0.00 61.98 60.27 2f58 s VAL 144 Cb -0.19 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2f58 s VAL 144 CO 0.18 -0.43 -0.17 -1.59 0.00 0.00 0.00 175.10 173.09 2f58 s LYS 145 N 0.98 1.10 -0.69 2.72 -2.85 -0.37 -1.16 119.74 119.47 2f58 s LYS 145 Ca 0.05 -1.23 -0.02 0.00 -1.00 0.00 0.00 55.97 53.77 2f58 s LYS 145 Cb -0.19 -1.17 -0.03 0.00 -2.06 0.00 0.00 37.83 34.38 2f58 s LYS 145 CO -0.07 0.25 0.59 0.41 0.10 0.00 0.00 175.35 176.63 2f58 n GLY 146 N 0.73 -0.26 3.44 0.59 0.00 0.41 -1.34 105.19 108.77 2f58 n GLY 146 Ca -0.17 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2f58 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2f58 s TYR 147 N -3.24 1.95 -0.28 1.61 1.13 -1.06 -4.41 117.35 113.04 2f58 s TYR 147 Ca 0.18 -0.93 -0.25 0.00 -1.41 0.00 0.00 57.07 54.66 2f58 s TYR 147 Cb -0.02 -1.25 0.11 0.00 -1.10 0.00 0.00 41.96 39.69 2f58 s TYR 147 CO 0.46 0.04 0.93 0.12 -2.51 0.00 0.00 175.55 174.59 2f58 s PHE 148 N -3.27 -0.58 0.00 -3.49 5.36 -0.43 0.10 117.98 115.68 2f58 s PHE 148 Ca 0.35 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.72 2f58 s PHE 148 Cb 0.08 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 2f58 s PHE 148 CO 0.15 -0.28 0.00 -0.35 -1.46 0.00 0.00 175.22 173.28 2f58 n PRO 149 N 2.43 0.95 -2.83 10.12 -0.04 -1.26 -0.91 135.00 143.46 2f58 n PRO 149 Ca -0.13 -0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 2f58 n PRO 149 Cb 0.56 -0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.95 2f58 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2f58 s GLU 150 N -2.06 4.63 0.11 0.54 0.41 -1.26 -4.72 118.70 116.35 2f58 s GLU 150 Ca 0.00 1.31 0.01 0.00 -0.41 0.00 0.00 54.97 55.88 2f58 s GLU 150 Cb -0.00 -3.01 0.01 0.00 -1.78 0.00 0.00 34.13 29.35 2f58 s GLU 150 CO 0.00 0.40 0.08 -0.35 -0.49 0.00 0.00 175.26 174.90 2f58 n PRO 151 N 0.98 1.35 -3.72 0.39 -0.04 -1.26 -4.92 135.00 127.77 2f58 n PRO 151 Ca -0.01 -0.69 -0.12 0.00 -0.04 0.00 0.00 63.50 62.64 2f58 n PRO 151 Cb 0.49 0.08 -0.11 0.00 -0.04 0.00 0.00 33.50 33.92 2f58 n PRO 151 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2f58 s VAL 152 N -0.57 -0.01 -0.16 0.52 0.11 -1.26 -4.20 120.40 114.83 2f58 s VAL 152 Ca 0.06 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2f58 s VAL 152 Cb -0.00 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2f58 s VAL 152 CO 0.04 0.02 -0.03 0.42 -3.33 0.00 0.00 175.10 172.21 2f58 s THR 153 N 0.70 3.92 -0.06 5.04 -4.23 -0.15 -4.93 115.64 115.94 2f58 s THR 153 Ca -0.04 -0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.17 2f58 s THR 153 Cb -0.05 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 2f58 s THR 153 CO -0.05 0.49 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.63 2f58 s VAL 154 N 0.37 2.45 0.24 2.29 1.01 -1.25 -0.70 120.40 124.81 2f58 s VAL 154 Ca -0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2f58 s VAL 154 Cb -0.14 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2f58 s VAL 154 CO 0.03 0.57 0.20 0.42 0.00 0.00 0.00 175.10 176.32 2f58 s THR 156 N -0.28 0.00 0.08 3.92 -4.23 -0.22 -4.98 115.64 109.94 2f58 s THR 156 Ca 0.00 -1.94 0.09 0.00 -1.18 0.00 0.00 61.69 58.66 2f58 s THR 156 Cb -0.13 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 2f58 s THR 156 CO 0.03 0.00 -0.23 0.26 -0.54 0.00 0.00 174.62 174.14 2f58 s TRP 157 N -3.96 1.98 -0.88 3.99 0.52 -1.26 -0.28 118.94 119.05 2f58 s TRP 157 Ca 0.38 -0.40 -0.05 0.00 0.02 0.00 0.00 56.10 56.05 2f58 s TRP 157 Cb 0.05 -1.13 0.01 0.00 -1.15 0.00 0.00 33.47 31.25 2f58 s TRP 157 CO 0.15 0.19 0.61 0.09 0.02 0.00 0.00 176.95 178.01 2f58 n ASN 162 N 1.39 -4.64 -2.10 2.95 4.13 0.37 -0.30 115.26 117.05 2f58 n ASN 162 Ca -0.18 -1.03 0.00 0.00 1.68 0.00 0.00 54.58 55.05 2f58 n ASN 162 Cb 0.53 -1.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.19 2f58 n ASN 162 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2f58 n SER 163 N -2.55 -0.80 0.00 6.41 3.41 -1.26 -0.79 113.62 118.04 2f58 n SER 163 Ca -0.29 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2f58 n SER 163 Cb 0.67 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2f58 n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f58 n GLY 164 N -0.40 2.27 0.00 5.00 0.00 0.58 -5.05 105.19 107.59 2f58 n GLY 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2f58 n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2f58 n SER 165 N 0.00 0.00 -4.50 1.61 7.64 0.03 -4.60 113.62 113.80 2f58 n SER 165 Ca 0.00 0.45 -0.37 0.00 1.01 0.00 0.00 58.87 59.96 2f58 n SER 165 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 2f58 n SER 165 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2f58 n LEU 166 N -0.56 0.03 -0.12 -3.43 4.77 -1.24 -4.76 117.00 111.69 2f58 n LEU 166 Ca 0.00 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 2f58 n LEU 166 Cb 0.00 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.12 2f58 n LEU 166 CO 0.00 -0.92 -1.32 -0.24 -1.33 0.00 0.00 177.39 173.58 2f58 n SER 167 N 9.81 1.75 -4.77 -1.43 2.88 -1.26 -4.45 113.62 116.14 2f58 n SER 167 Ca 0.65 0.25 -0.38 0.00 -1.33 0.00 0.00 58.87 58.06 2f58 n SER 167 Cb 0.08 -0.67 -0.05 0.00 -0.75 0.00 0.00 64.21 62.82 2f58 n SER 167 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2f58 s SER 168 N -7.07 7.13 0.00 -3.46 0.01 -1.26 -3.61 113.70 105.45 2f58 s SER 168 Ca -0.33 2.05 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2f58 s SER 168 Cb 0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2f58 s SER 168 CO 0.43 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2f58 n GLY 169 N 0.77 0.88 3.85 3.44 0.00 -1.26 -4.81 105.19 108.07 2f58 n GLY 169 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2f58 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f58 s VAL 171 N -3.52 4.99 -0.05 1.61 1.01 -1.24 -0.16 120.40 123.05 2f58 s VAL 171 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 2f58 s VAL 171 Cb 0.00 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.72 2f58 s VAL 171 CO 0.00 0.33 0.09 -1.00 0.00 0.00 0.00 175.10 174.52 2f58 s HIS 172 N -1.36 -0.06 -0.14 5.22 3.76 0.14 -4.98 115.29 117.87 2f58 s HIS 172 Ca 0.33 0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 2f58 s HIS 172 Cb -0.15 -0.23 0.03 0.00 1.11 0.00 0.00 32.58 33.34 2f58 s HIS 172 CO 0.18 -0.16 -0.11 0.99 -0.85 0.00 0.00 174.74 174.78 2f58 s THR 173 N 1.46 1.38 -0.08 1.30 2.01 -1.26 -0.13 115.64 120.32 2f58 s THR 173 Ca -0.05 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 2f58 s THR 173 Cb -0.12 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 2f58 s THR 173 CO -0.04 0.39 0.50 -0.36 -0.69 0.00 0.00 174.62 174.42 2f58 s PHE 174 N 1.56 3.57 0.35 4.92 0.40 -0.89 -5.03 117.98 122.87 2f58 s PHE 174 Ca 0.04 0.98 -0.26 0.00 -0.60 0.00 0.00 56.93 57.09 2f58 s PHE 174 Cb -0.13 -2.54 -0.13 0.00 0.51 0.00 0.00 43.02 40.73 2f58 s PHE 174 CO -0.10 0.25 0.95 -0.35 0.70 0.00 0.00 175.22 176.68 2f58 n PRO 175 N 3.29 1.25 -0.67 0.24 -0.04 -1.26 -4.12 135.00 133.68 2f58 n PRO 175 Ca -0.08 0.44 -0.28 0.00 -0.04 0.00 0.00 63.50 63.54 2f58 n PRO 175 Cb 0.52 -1.87 0.25 0.00 -0.04 0.00 0.00 33.50 32.35 2f58 n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f58 s ALA 176 N -1.19 -0.28 -0.13 0.55 0.00 -1.26 -4.83 121.76 114.62 2f58 s ALA 176 Ca 0.61 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 2f58 s ALA 176 Cb -0.64 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.35 2f58 s ALA 176 CO 0.59 -3.78 0.35 0.08 0.00 0.00 0.00 175.76 172.99 2f58 s VAL 177 N -2.56 -0.00 -0.19 0.00 1.01 0.09 -4.94 120.40 113.80 2f58 s VAL 177 Ca 0.68 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 2f58 s VAL 177 Cb -0.22 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2f58 s VAL 177 CO 0.62 0.01 0.16 -0.76 0.00 0.00 0.00 175.10 175.13 2f58 s LEU 178 N 0.36 4.22 -0.27 3.92 1.02 -1.26 -1.53 118.68 125.14 2f58 s LEU 178 Ca -0.01 0.29 -0.04 0.00 0.02 0.00 0.00 54.13 54.39 2f58 s LEU 178 Cb -0.03 -2.14 0.10 0.00 0.02 0.00 0.00 46.19 44.14 2f58 s LEU 178 CO -0.01 0.18 0.16 -1.58 0.02 0.00 0.00 176.35 175.11 2f58 s GLN 179 N 0.32 0.20 -0.40 1.70 0.74 -1.07 -4.84 119.66 116.32 2f58 s GLN 179 Ca 0.10 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 2f58 s GLN 179 Cb -0.11 -1.16 0.00 0.00 1.10 0.00 0.00 33.01 32.84 2f58 s GLN 179 CO -0.01 -0.97 0.11 0.43 -0.55 0.00 0.00 175.29 174.30 2f58 n SER 180 N 5.27 -2.53 -2.35 6.67 7.64 -1.26 -3.90 113.62 123.16 2f58 n SER 180 Ca -0.05 -0.05 -0.16 0.00 1.01 0.00 0.00 58.87 59.61 2f58 n SER 180 Cb 0.44 -1.59 0.04 0.00 -1.01 0.00 0.00 64.21 62.08 2f58 n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2f58 n ASP 183 N 0.79 -4.88 -3.87 6.43 8.00 -1.26 -5.03 116.55 116.73 2f58 n ASP 183 Ca -0.04 -0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.09 2f58 n ASP 183 Cb 0.53 -3.65 -0.10 0.00 -0.02 0.00 0.00 41.12 37.88 2f58 n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2f58 s LEU 184 N -5.03 1.56 0.16 0.64 1.43 -1.25 -4.87 118.68 111.32 2f58 s LEU 184 Ca 0.28 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2f58 s LEU 184 Cb -0.12 0.63 -0.05 0.00 0.03 0.00 0.00 46.19 46.69 2f58 s LEU 184 CO 0.35 -0.33 0.35 -0.31 0.23 0.00 0.00 176.35 176.64 2f58 s TYR 185 N -1.19 3.49 -0.02 0.29 2.02 0.28 -2.59 117.35 119.62 2f58 s TYR 185 Ca -0.13 0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 2f58 s TYR 185 Cb -0.07 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2f58 s TYR 185 CO 0.01 0.44 -0.03 0.99 -1.57 0.00 0.00 175.55 175.39 2f58 s THR 186 N -1.74 0.36 -0.07 -0.71 2.01 -0.58 0.16 115.64 115.07 2f58 s THR 186 Ca 0.39 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 2f58 s THR 186 Cb -0.12 -0.38 0.04 0.00 0.01 0.00 0.00 72.50 72.05 2f58 s THR 186 CO 0.27 0.16 0.41 -0.22 -0.69 0.00 0.00 174.62 174.55 2f58 s LEU 187 N 0.59 0.44 -0.01 4.42 0.20 -0.31 -0.73 118.68 123.29 2f58 s LEU 187 Ca -0.07 0.45 0.02 0.00 0.69 0.00 0.00 54.13 55.23 2f58 s LEU 187 Cb -0.10 1.54 -0.00 0.00 -0.43 0.00 0.00 46.19 47.20 2f58 s LEU 187 CO -0.01 -0.37 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.68 2f58 s SER 188 N -0.77 0.75 0.03 3.68 1.04 -1.26 -0.28 113.70 116.89 2f58 s SER 188 Ca -0.09 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.31 2f58 s SER 188 Cb -0.04 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2f58 s SER 188 CO 0.04 0.07 -0.22 -0.55 0.98 0.00 0.00 173.24 173.56 2f58 s SER 189 N -0.09 3.50 -0.03 7.02 0.15 -0.69 -2.09 113.70 121.47 2f58 s SER 189 Ca 0.02 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.21 2f58 s SER 189 Cb -0.03 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2f58 s SER 189 CO -0.00 0.27 -0.09 -0.94 1.20 0.00 0.00 173.24 173.67 2f58 s SER 190 N -1.27 1.22 -0.10 5.45 1.04 0.82 -0.51 113.70 120.35 2f58 s SER 190 Ca 0.13 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2f58 s SER 190 Cb -0.10 -0.33 0.02 0.00 0.10 0.00 0.00 66.02 65.71 2f58 s SER 190 CO 0.03 0.06 -0.09 0.54 0.98 0.00 0.00 173.24 174.76 2f58 s VAL 191 N 0.21 1.07 -0.43 5.02 0.11 -0.60 0.28 120.40 126.06 2f58 s VAL 191 Ca -0.03 -0.35 -0.17 0.00 -2.93 0.00 0.00 61.98 58.49 2f58 s VAL 191 Cb -0.09 -1.05 0.03 0.00 -1.53 0.00 0.00 36.38 33.74 2f58 s VAL 191 CO 0.01 0.37 0.46 -0.89 -3.33 0.00 0.00 175.10 171.71 2f58 s THR 192 N 1.38 5.07 0.31 5.04 2.01 0.77 -0.69 115.64 129.53 2f58 s THR 192 Ca -0.01 -0.38 0.09 0.00 0.31 0.00 0.00 61.69 61.70 2f58 s THR 192 Cb -0.14 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 2f58 s THR 192 CO -0.05 -0.47 0.04 0.68 -0.69 0.00 0.00 174.62 174.13 2f58 s VAL 193 N 2.18 3.03 0.45 3.82 -7.23 0.30 -4.56 120.40 118.39 2f58 s VAL 193 Ca 0.12 -1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 58.19 2f58 s VAL 193 Cb -0.17 -2.85 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 2f58 s VAL 193 CO 0.13 -0.27 1.06 -2.84 -0.31 0.00 0.00 175.10 172.88 2f58 s PRO 194 N -3.73 3.94 0.00 4.82 0.02 -1.26 -0.41 135.00 138.38 2f58 s PRO 194 Ca 0.34 1.48 0.03 0.00 0.02 0.00 0.00 61.00 62.87 2f58 s PRO 194 Cb -0.03 -2.32 0.16 0.00 0.02 0.00 0.00 34.50 32.33 2f58 s PRO 194 CO 0.20 -0.33 0.48 0.43 -0.33 0.00 0.00 177.00 177.45 2f58 n SER 195 N -0.54 0.00 -0.06 2.53 7.64 -1.22 -2.37 113.62 119.60 2f58 n SER 195 Ca 0.07 -0.27 -0.07 0.00 1.01 0.00 0.00 58.87 59.62 2f58 n SER 195 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 2f58 n SER 195 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2f58 h SER 196 N 0.00 0.00 0.00 6.43 0.02 -1.90 -3.44 113.55 114.66 2f58 h SER 196 Ca 0.00 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2f58 h SER 196 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2f58 h SER 196 CO 0.00 0.75 0.00 -2.65 -1.14 0.00 0.00 176.83 173.79 2f58 n PRO 198 N -4.70 0.00 -1.62 3.45 -0.02 -1.00 -4.74 135.00 126.38 2f58 n PRO 198 Ca -0.05 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.98 2f58 n PRO 198 Cb 0.24 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.70 2f58 n PRO 198 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2f58 n ARG 199 N 0.00 1.57 -0.03 -0.52 5.12 -1.17 -2.79 116.66 118.84 2f58 n ARG 199 Ca 0.00 0.55 -0.13 0.00 -1.93 0.00 0.00 57.85 56.35 2f58 n ARG 199 Cb 0.00 -2.01 -0.08 0.00 -1.16 0.00 0.00 32.46 29.21 2f58 n ARG 199 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2f58 h PRO 200 N 2.49 0.18 -6.81 5.56 0.11 -1.87 -3.44 132.00 128.21 2f58 h PRO 200 Ca -0.42 -0.08 -0.53 0.00 0.11 0.00 0.00 66.00 65.08 2f58 h PRO 200 Cb 1.32 -0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.50 2f58 h PRO 200 CO 0.64 0.56 0.78 0.45 -0.21 0.00 0.00 178.00 180.21 2f58 s SER 202 N -5.85 6.55 -0.29 -2.05 0.15 -1.12 -3.04 113.70 108.05 2f58 s SER 202 Ca -0.15 2.81 -0.02 0.00 0.70 0.00 0.00 55.95 59.29 2f58 s SER 202 Cb 0.04 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2f58 s SER 202 CO 0.71 -0.76 0.30 1.21 1.20 0.00 0.00 173.24 175.90 2f58 n GLU 203 N 1.74 -0.73 -1.55 5.44 2.13 -1.26 -4.49 120.64 121.91 2f58 n GLU 203 Ca 0.05 1.03 -0.29 0.00 0.66 0.00 0.00 57.16 58.61 2f58 n GLU 203 Cb 0.40 -3.40 0.11 0.00 0.27 0.00 0.00 31.44 28.82 2f58 n GLU 203 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2f58 s THR 204 N -2.62 2.57 0.26 6.31 -4.23 -1.17 -3.06 115.64 113.70 2f58 s THR 204 Ca 0.03 0.19 0.11 0.00 -1.18 0.00 0.00 61.69 60.84 2f58 s THR 204 Cb -0.01 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 2f58 s THR 204 CO 0.34 -0.24 -0.11 0.68 -0.54 0.00 0.00 174.62 174.75 2f58 s VAL 205 N -3.22 2.95 -0.10 2.29 -7.23 -1.26 -4.98 120.40 108.85 2f58 s VAL 205 Ca 0.62 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.60 2f58 s VAL 205 Cb -0.15 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.28 2f58 s VAL 205 CO 0.54 -0.35 0.25 -0.89 -0.31 0.00 0.00 175.10 174.34 2f58 s THR 206 N -2.33 -0.02 -0.11 5.32 2.01 -1.26 -1.96 115.64 117.30 2f58 s THR 206 Ca 0.30 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 2f58 s THR 206 Cb -0.06 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 2f58 s THR 206 CO 0.17 0.03 0.23 0.00 -0.69 0.00 0.00 174.62 174.35 2f58 s ASN 209 N -0.59 4.50 -0.09 0.00 0.01 0.61 -1.30 114.94 118.08 2f58 s ASN 209 Ca 0.16 -0.42 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 2f58 s ASN 209 Cb -0.13 -1.77 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 2f58 s ASN 209 CO 0.05 -0.04 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.71 2f58 s VAL 210 N 1.49 2.45 -0.15 1.60 1.01 0.09 -1.05 120.40 125.84 2f58 s VAL 210 Ca 0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 2f58 s VAL 210 Cb -0.15 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.32 2f58 s VAL 210 CO -0.02 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.62 2f58 s ALA 211 N 0.09 1.22 -0.72 5.51 0.00 0.12 -0.14 121.76 127.83 2f58 s ALA 211 Ca -0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 2f58 s ALA 211 Cb -0.15 -1.06 0.18 0.00 0.00 0.00 0.00 23.12 22.09 2f58 s ALA 211 CO 0.06 -0.81 0.57 -1.58 0.00 0.00 0.00 175.76 173.99 2f58 s HIS 212 N 1.75 3.57 0.36 0.00 2.46 0.13 -0.98 115.29 122.58 2f58 s HIS 212 Ca 0.01 -2.75 0.16 0.00 0.47 0.00 0.00 55.06 52.95 2f58 s HIS 212 Cb -0.15 -3.26 1.07 0.00 -0.13 0.00 0.00 32.58 30.11 2f58 s HIS 212 CO -0.07 -0.82 1.70 -1.00 -2.47 0.00 0.00 174.74 172.08 2f58 h PRO 213 N 6.78 0.37 -0.27 2.88 0.13 -1.79 -0.86 132.00 139.24 2f58 h PRO 213 Ca 0.05 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2f58 h PRO 213 Cb 0.92 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2f58 h PRO 213 CO 0.75 0.25 0.05 0.00 -0.23 0.00 0.00 178.00 178.82 2f58 h ALA 214 N 1.74 1.58 -0.31 -0.56 0.00 -1.91 -2.67 119.26 117.13 2f58 h ALA 214 Ca 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2f58 h ALA 214 Cb 1.61 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2f58 h ALA 214 CO -0.48 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 2f58 n SER 215 N -4.37 3.79 -4.23 0.00 3.41 -0.38 -4.96 113.62 106.88 2f58 n SER 215 Ca 0.01 -2.77 -0.36 0.00 -0.26 0.00 0.00 58.87 55.49 2f58 n SER 215 Cb 0.18 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 2f58 n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2f58 n SER 216 N -0.18 -3.07 -4.65 4.04 7.64 -0.85 -4.91 113.62 111.64 2f58 n SER 216 Ca 0.20 -1.02 -0.35 0.00 1.01 0.00 0.00 58.87 58.70 2f58 n SER 216 Cb 0.81 -2.72 -0.09 0.00 -1.01 0.00 0.00 64.21 61.19 2f58 n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2f58 s THR 217 N -3.33 4.97 -0.15 0.44 2.01 -0.99 -4.98 115.64 113.60 2f58 s THR 217 Ca 0.70 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 2f58 s THR 217 Cb -0.38 -3.26 0.05 0.00 0.01 0.00 0.00 72.50 68.91 2f58 s THR 217 CO 0.93 0.43 0.01 -0.54 -0.69 0.00 0.00 174.62 174.76 2f58 s LYS 218 N 0.54 0.79 -0.00 4.92 1.02 -1.26 0.18 119.74 125.92 2f58 s LYS 218 Ca 0.05 -0.28 0.07 0.00 0.02 0.00 0.00 55.97 55.83 2f58 s LYS 218 Cb -0.12 -1.74 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 2f58 s LYS 218 CO 0.01 -0.50 -0.22 0.08 -0.92 0.00 0.00 175.35 173.80 2f58 s VAL 219 N 1.85 1.73 -0.27 3.17 1.01 0.80 -4.99 120.40 123.69 2f58 s VAL 219 Ca 0.01 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2f58 s VAL 219 Cb -0.15 -1.45 0.07 0.00 0.00 0.00 0.00 36.38 34.85 2f58 s VAL 219 CO -0.07 0.42 -0.02 -1.81 0.00 0.00 0.00 175.10 173.62 2f58 s ASP 220 N -0.68 4.21 -0.33 3.32 1.01 -1.26 -0.73 116.67 122.20 2f58 s ASP 220 Ca 0.08 -1.51 -0.11 0.00 0.71 0.00 0.00 52.55 51.73 2f58 s ASP 220 Cb -0.09 -1.32 -0.00 0.00 1.01 0.00 0.00 42.92 42.52 2f58 s ASP 220 CO -0.00 -0.28 0.19 -0.75 0.21 0.00 0.00 175.17 174.53 2f58 s LYS 221 N 1.25 3.28 -0.20 8.23 2.47 -0.42 -4.93 119.74 129.41 2f58 s LYS 221 Ca -0.01 -0.77 -0.26 0.00 -1.56 0.00 0.00 55.97 53.38 2f58 s LYS 221 Cb -0.19 -3.66 -0.01 0.00 -1.46 0.00 0.00 37.83 32.51 2f58 s LYS 221 CO -0.09 -0.48 0.88 0.21 0.16 0.00 0.00 175.35 176.03 2f58 s LYS 222 N 1.63 4.25 -0.06 4.03 2.20 -1.26 -0.90 119.74 129.63 2f58 s LYS 222 Ca 0.05 1.07 -0.27 0.00 -0.36 0.00 0.00 55.97 56.45 2f58 s LYS 222 Cb -0.17 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 2f58 s LYS 222 CO 0.07 -0.45 0.89 0.42 -0.36 0.00 0.00 175.35 175.92 2f58 s ILE 223 N 2.58 4.91 0.03 5.43 1.09 -0.83 -4.96 121.20 129.44 2f58 s ILE 223 Ca 0.38 1.83 0.02 0.00 -1.10 0.00 0.00 60.65 61.79 2f58 s ILE 223 Cb -0.16 -4.22 -0.02 0.00 -1.06 0.00 0.00 42.46 37.01 2f58 s ILE 223 CO 0.10 0.14 -0.08 0.68 -0.10 0.00 0.00 174.94 175.68 2f58 s VAL 226 N 1.29 0.55 0.44 2.92 -7.23 -1.26 -4.49 120.40 112.62 2f58 s VAL 226 Ca 0.45 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.52 2f58 s VAL 226 Cb -0.19 -0.58 -0.10 0.00 0.56 0.00 0.00 36.38 36.07 2f58 s VAL 226 CO 0.21 -0.24 0.84 -0.81 -0.31 0.00 0.00 175.10 174.80 2f58 n PRO 227 N 1.83 1.02 -2.65 4.82 -0.04 -1.26 -4.70 135.00 134.03 2f58 n PRO 227 Ca -0.20 0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 63.31 2f58 n PRO 227 Cb 0.55 -1.87 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 2f58 n PRO 227 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2f58 s ARG 228 N -1.96 4.05 -0.83 0.54 0.52 -1.26 -4.97 118.95 115.05 2f58 s ARG 228 Ca 0.65 0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 56.80 2f58 s ARG 228 Cb -0.55 -2.19 0.36 0.00 0.52 0.00 0.00 34.95 33.08 2f58 s ARG 228 CO 0.56 -0.13 2.03 -3.47 0.02 0.00 0.00 175.30 174.32 2f58 n ASP 229 N -1.10 7.56 -0.81 0.23 2.03 -1.26 -4.81 116.55 118.38 2f58 n ASP 229 Ca 0.06 -3.83 0.10 0.00 0.52 0.00 0.00 54.79 51.64 2f58 n ASP 229 Cb 0.54 -1.06 0.08 0.00 -0.72 0.00 0.00 41.12 39.96 2f58 n ASP 229 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28