#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fg9 s VAL 12 N 0.00 1.39 0.00 0.44 -7.23 -1.26 -5.02 120.40 108.72 1fg9 s VAL 12 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1fg9 s VAL 12 Cb 0.00 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1fg9 s VAL 12 CO 0.00 0.00 0.00 -0.81 -0.31 0.00 0.00 175.10 173.98 1fg9 n PRO 13 N -0.91 0.00 -4.53 4.82 -0.04 -1.26 -4.79 135.00 128.29 1fg9 n PRO 13 Ca -0.06 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 1fg9 n PRO 13 Cb 0.67 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.02 1fg9 n PRO 13 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1fg9 s THR 14 N 0.00 3.73 0.71 0.52 -4.23 -1.26 -4.69 115.64 110.41 1fg9 s THR 14 Ca 0.00 -0.59 -0.16 0.00 -1.18 0.00 0.00 61.69 59.75 1fg9 s THR 14 Cb 0.00 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.29 1fg9 s THR 14 CO 0.00 0.51 1.25 -2.65 -0.54 0.00 0.00 174.62 173.18 1fg9 n PRO 15 N 1.91 0.75 -4.23 3.99 -0.02 -1.26 -4.88 135.00 131.25 1fg9 n PRO 15 Ca -0.17 0.32 -0.16 0.00 -2.02 0.00 0.00 63.50 61.48 1fg9 n PRO 15 Cb 0.53 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 1fg9 n PRO 15 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1fg9 s THR 16 N -1.67 1.19 -1.30 3.45 -1.32 -1.13 -4.83 115.64 110.03 1fg9 s THR 16 Ca 0.79 -1.84 -0.07 0.00 -1.21 0.00 0.00 61.69 59.36 1fg9 s THR 16 Cb -0.35 -1.62 -0.00 0.00 -1.51 0.00 0.00 72.50 69.02 1fg9 s THR 16 CO 0.44 -0.58 0.59 0.59 -2.21 0.00 0.00 174.62 173.46 1fg9 n ASN 17 N 0.24 -2.09 -4.76 8.08 4.13 -1.26 0.12 115.26 119.72 1fg9 n ASN 17 Ca -0.13 -0.98 -0.39 0.00 1.68 0.00 0.00 54.58 54.76 1fg9 n ASN 17 Cb 0.59 -3.35 0.01 0.00 -1.54 0.00 0.00 39.78 35.49 1fg9 n ASN 17 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1fg9 s VAL 18 N -3.75 2.44 -0.28 2.41 1.01 -1.26 -4.38 120.40 116.60 1fg9 s VAL 18 Ca 0.16 0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.36 1fg9 s VAL 18 Cb -0.06 -3.20 0.09 0.00 0.00 0.00 0.00 36.38 33.22 1fg9 s VAL 18 CO 0.87 0.03 0.67 -0.89 0.00 0.00 0.00 175.10 175.77 1fg9 s THR 19 N -1.32 -0.24 0.15 3.92 2.01 0.12 -4.87 115.64 115.41 1fg9 s THR 19 Ca 0.63 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.67 1fg9 s THR 19 Cb -0.38 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1fg9 s THR 19 CO 0.47 0.00 0.24 -0.63 -0.69 0.00 0.00 174.62 174.01 1fg9 s ILE 20 N 1.93 5.07 -0.13 1.82 1.01 -1.26 0.11 121.20 129.74 1fg9 s ILE 20 Ca -0.09 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 1fg9 s ILE 20 Cb -0.07 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.84 1fg9 s ILE 20 CO -0.20 -0.10 0.48 -1.61 0.00 0.00 0.00 174.94 173.51 1fg9 s GLU 21 N -3.20 0.65 0.03 2.79 2.02 -0.88 -4.95 118.70 115.16 1fg9 s GLU 21 Ca 0.33 0.46 0.01 0.00 0.02 0.00 0.00 54.97 55.79 1fg9 s GLU 21 Cb -0.11 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.41 1fg9 s GLU 21 CO 0.27 -0.12 -0.04 0.45 0.02 0.00 0.00 175.26 175.83 1fg9 s SER 22 N -0.23 0.42 -0.13 -0.19 0.15 -1.26 -0.47 113.70 111.98 1fg9 s SER 22 Ca -0.04 -0.50 -0.07 0.00 0.70 0.00 0.00 55.95 56.04 1fg9 s SER 22 Cb -0.03 0.08 0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1fg9 s SER 22 CO 0.03 -0.26 0.32 -0.47 1.20 0.00 0.00 173.24 174.05 1fg9 s TYR 23 N -1.38 -0.44 -1.17 3.44 5.04 -1.22 -2.71 117.35 118.91 1fg9 s TYR 23 Ca -0.13 0.99 -0.06 0.00 -2.44 0.00 0.00 57.07 55.42 1fg9 s TYR 23 Cb -0.10 0.14 0.05 0.00 0.35 0.00 0.00 41.96 42.40 1fg9 s TYR 23 CO -0.01 -0.27 0.34 0.09 -1.34 0.00 0.00 175.55 174.36 1fg9 n ASN 24 N 4.13 -3.66 -2.69 4.32 3.02 -0.05 -3.57 115.26 116.76 1fg9 n ASN 24 Ca -0.23 -0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.11 1fg9 n ASN 24 Cb 0.54 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 1fg9 n ASN 24 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1fg9 n MET 25 N -3.43 -1.12 -3.14 3.52 2.81 -1.26 -4.91 117.12 109.59 1fg9 n MET 25 Ca -0.05 1.33 0.06 0.00 -1.81 0.00 0.00 57.70 57.23 1fg9 n MET 25 Cb 0.56 -4.79 0.00 0.00 -0.71 0.00 0.00 33.22 28.27 1fg9 n MET 25 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1fg9 s ASN 26 N -2.71 -0.00 0.27 7.83 2.20 -1.23 -5.05 114.94 116.24 1fg9 s ASN 26 Ca 0.02 0.00 -0.12 0.00 -0.94 0.00 0.00 52.86 51.83 1fg9 s ASN 26 Cb -0.01 0.98 -0.08 0.00 -2.00 0.00 0.00 41.25 40.15 1fg9 s ASN 26 CO 0.58 -0.00 0.62 -2.16 -2.94 0.00 0.00 177.10 173.20 1fg9 s PRO 27 N 2.98 3.88 -0.06 3.55 0.04 -1.25 -3.46 135.00 140.67 1fg9 s PRO 27 Ca 0.34 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1fg9 s PRO 27 Cb 0.01 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 32.00 1fg9 s PRO 27 CO -0.22 0.25 -0.14 0.42 0.04 0.00 0.00 177.00 177.35 1fg9 s ILE 28 N -1.89 1.27 0.07 0.56 -1.09 0.38 -2.01 121.20 118.48 1fg9 s ILE 28 Ca 0.50 -0.57 -0.27 0.00 -2.23 0.00 0.00 60.65 58.08 1fg9 s ILE 28 Cb -0.11 -1.13 -0.06 0.00 -1.58 0.00 0.00 42.46 39.58 1fg9 s ILE 28 CO 0.20 0.38 0.83 -0.69 -1.23 0.00 0.00 174.94 174.43 1fg9 s VAL 29 N 0.50 4.66 -0.00 2.92 1.01 0.17 -2.06 120.40 127.60 1fg9 s VAL 29 Ca -0.13 1.78 0.06 0.00 0.00 0.00 0.00 61.98 63.69 1fg9 s VAL 29 Cb -0.15 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1fg9 s VAL 29 CO 0.04 0.35 -0.17 -0.31 0.00 0.00 0.00 175.10 175.00 1fg9 s TYR 30 N -0.03 1.56 -0.12 5.22 2.02 0.29 -0.80 117.35 125.49 1fg9 s TYR 30 Ca 0.41 -0.31 -0.19 0.00 -0.37 0.00 0.00 57.07 56.62 1fg9 s TYR 30 Cb -0.21 -0.99 0.04 0.00 -0.40 0.00 0.00 41.96 40.41 1fg9 s TYR 30 CO 0.25 -0.01 0.47 1.67 -1.57 0.00 0.00 175.55 176.37 1fg9 s TRP 31 N -0.49 -0.46 0.53 2.71 -2.14 -1.23 0.10 118.94 117.96 1fg9 s TRP 31 Ca 0.06 1.02 -0.05 0.00 2.66 0.00 0.00 56.10 59.79 1fg9 s TRP 31 Cb -0.07 0.20 0.11 0.00 -3.10 0.00 0.00 33.47 30.61 1fg9 s TRP 31 CO -0.00 -0.35 0.72 0.39 -2.66 0.00 0.00 176.95 175.05 1fg9 n GLU 32 N 2.13 -0.33 0.00 3.25 -0.58 0.12 -4.81 120.64 120.41 1fg9 n GLU 32 Ca -0.16 -1.47 0.00 0.00 -0.42 0.00 0.00 57.16 55.11 1fg9 n GLU 32 Cb 0.57 -0.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.80 1fg9 n GLU 32 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1fg9 n TYR 33 N -2.72 0.00 -2.45 -0.32 9.36 -1.26 -2.85 117.16 116.92 1fg9 n TYR 33 Ca 0.10 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.95 1fg9 n TYR 33 Cb 0.36 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.04 1fg9 n TYR 33 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1fg9 s GLN 34 N -1.24 4.06 0.54 2.98 1.03 -1.26 -5.03 119.66 120.74 1fg9 s GLN 34 Ca 0.00 1.61 -0.16 0.00 0.04 0.00 0.00 55.36 56.85 1fg9 s GLN 34 Cb 0.00 -2.53 -0.07 0.00 0.03 0.00 0.00 33.01 30.44 1fg9 s GLN 34 CO 0.00 -0.26 1.01 0.96 -2.54 0.00 0.00 175.29 174.46 1fg9 s ILE 35 N -1.60 4.30 -0.08 3.63 -0.00 -1.26 -5.07 121.20 121.12 1fg9 s ILE 35 Ca 0.59 1.11 -0.31 0.00 -0.00 0.00 0.00 60.65 62.04 1fg9 s ILE 35 Cb -0.25 -3.61 0.12 0.00 -0.00 0.00 0.00 42.46 38.72 1fg9 s ILE 35 CO 0.31 -0.62 1.01 0.00 -0.00 0.00 0.00 174.94 175.64 1fg9 s MET 36 N -4.04 0.62 0.32 0.37 0.23 -1.26 -5.02 119.30 110.52 1fg9 s MET 36 Ca 0.61 -0.20 0.12 0.00 -1.03 0.00 0.00 55.69 55.19 1fg9 s MET 36 Cb -0.12 0.28 0.66 0.00 -1.53 0.00 0.00 34.83 34.13 1fg9 s MET 36 CO 0.32 -0.26 1.26 -0.35 -2.03 0.00 0.00 175.02 173.96 1fg9 n PRO 37 N -0.11 0.08 -4.55 3.16 -0.04 -1.26 -4.59 135.00 127.70 1fg9 n PRO 37 Ca -0.06 0.56 -0.34 0.00 -0.04 0.00 0.00 63.50 63.63 1fg9 n PRO 37 Cb 0.60 -2.10 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1fg9 n PRO 37 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1fg9 s GLN 38 N -3.30 2.80 -0.30 0.54 2.00 -1.26 -5.09 119.66 115.05 1fg9 s GLN 38 Ca -0.01 -0.52 -0.20 0.00 -2.00 0.00 0.00 55.36 52.63 1fg9 s GLN 38 Cb 0.04 -2.64 -0.01 0.00 0.80 0.00 0.00 33.01 31.19 1fg9 s GLN 38 CO 0.11 0.67 0.62 0.54 -0.50 0.00 0.00 175.29 176.73 1fg9 s VAL 39 N -0.84 4.95 0.36 1.34 0.11 -1.26 -5.05 120.40 120.00 1fg9 s VAL 39 Ca 0.13 0.84 0.01 0.00 -2.93 0.00 0.00 61.98 60.03 1fg9 s VAL 39 Cb -0.11 -3.99 -0.02 0.00 -1.53 0.00 0.00 36.38 30.73 1fg9 s VAL 39 CO 0.02 -0.13 0.55 -2.16 -3.33 0.00 0.00 175.10 170.05 1fg9 s PRO 40 N 2.58 3.37 0.48 1.54 0.04 -1.26 -4.77 135.00 136.98 1fg9 s PRO 40 Ca 0.25 -0.45 0.07 0.00 0.04 0.00 0.00 61.00 60.90 1fg9 s PRO 40 Cb -0.15 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.73 1fg9 s PRO 40 CO 0.12 0.08 0.37 0.14 0.04 0.00 0.00 177.00 177.74 1fg9 s VAL 41 N -2.33 2.08 0.04 -0.36 -7.23 -0.80 -4.61 120.40 107.18 1fg9 s VAL 41 Ca 0.42 -1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 59.07 1fg9 s VAL 41 Cb -0.10 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 1fg9 s VAL 41 CO 0.36 0.00 0.08 -0.36 -0.31 0.00 0.00 175.10 174.86 1fg9 s PHE 42 N -2.65 0.25 -0.07 2.82 0.08 0.38 -1.95 117.98 116.84 1fg9 s PHE 42 Ca 0.40 -0.60 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 1fg9 s PHE 42 Cb -0.02 -0.17 0.03 0.00 -0.57 0.00 0.00 43.02 42.29 1fg9 s PHE 42 CO 0.24 -0.38 0.04 0.99 -0.10 0.00 0.00 175.22 176.01 1fg9 s THR 43 N -2.88 0.13 -0.21 0.64 2.01 -0.64 0.77 115.64 115.45 1fg9 s THR 43 Ca -0.03 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.11 1fg9 s THR 43 Cb 0.00 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1fg9 s THR 43 CO -0.06 0.17 0.10 -0.69 -0.69 0.00 0.00 174.62 173.45 1fg9 s VAL 44 N 2.07 4.96 -0.07 3.82 1.01 -0.59 -1.38 120.40 130.22 1fg9 s VAL 44 Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.11 1fg9 s VAL 44 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1fg9 s VAL 44 CO -0.05 0.41 -0.24 -1.61 0.00 0.00 0.00 175.10 173.61 1fg9 s GLU 45 N 0.73 2.65 -0.10 2.72 2.02 0.26 -0.55 118.70 126.44 1fg9 s GLU 45 Ca 0.05 -0.89 -0.00 0.00 0.02 0.00 0.00 54.97 54.15 1fg9 s GLU 45 Cb -0.13 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 1fg9 s GLU 45 CO 0.02 0.36 -0.07 0.08 0.02 0.00 0.00 175.26 175.67 1fg9 s VAL 46 N -0.10 3.67 -0.10 2.63 1.01 0.20 0.56 120.40 128.28 1fg9 s VAL 46 Ca -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1fg9 s VAL 46 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.72 1fg9 s VAL 46 CO 0.04 0.56 -0.10 -0.75 0.00 0.00 0.00 175.10 174.86 1fg9 s LYS 47 N -0.36 1.63 -0.09 2.72 2.20 0.11 -0.56 119.74 125.39 1fg9 s LYS 47 Ca 0.05 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.38 1fg9 s LYS 47 Cb -0.12 -1.56 -0.00 0.00 -1.51 0.00 0.00 37.83 34.64 1fg9 s LYS 47 CO 0.02 -0.17 -0.24 0.54 -0.36 0.00 0.00 175.35 175.15 1fg9 s ASN 48 N 1.34 3.11 0.13 1.43 2.20 -1.26 -0.06 114.94 121.83 1fg9 s ASN 48 Ca -0.02 -0.55 -0.22 0.00 -0.94 0.00 0.00 52.86 51.13 1fg9 s ASN 48 Cb -0.14 -1.32 -0.13 0.00 -2.00 0.00 0.00 41.25 37.66 1fg9 s ASN 48 CO -0.04 0.17 0.45 0.00 -2.94 0.00 0.00 177.10 174.74 1fg9 n TYR 49 N 3.42 -0.27 -1.46 1.54 9.36 -0.48 -3.54 117.16 125.73 1fg9 n TYR 49 Ca -0.19 0.75 0.00 0.00 3.32 0.00 0.00 57.90 61.78 1fg9 n TYR 49 Cb 0.53 -1.50 0.00 0.00 -0.63 0.00 0.00 39.34 37.73 1fg9 n TYR 49 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fg9 n GLY 50 N 1.47 0.47 3.77 2.98 0.00 -1.26 -4.94 105.19 107.69 1fg9 n GLY 50 Ca 0.14 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1fg9 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fg9 s VAL 51 N -2.46 4.99 0.15 1.61 1.01 -1.23 -4.99 120.40 119.49 1fg9 s VAL 51 Ca 0.00 1.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 1fg9 s VAL 51 Cb 0.00 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.56 1fg9 s VAL 51 CO 0.00 0.43 1.62 0.50 0.00 0.00 0.00 175.10 177.65 1fg9 h LYS 52 N 5.70 -0.24 0.00 2.72 3.64 -1.95 -3.43 116.57 123.00 1fg9 h LYS 52 Ca -0.45 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1fg9 h LYS 52 Cb 1.20 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1fg9 h LYS 52 CO 0.69 -0.16 0.00 0.09 -2.27 0.00 0.00 179.45 177.81 1fg9 n ASN 53 N -5.39 0.00 -0.29 4.20 4.13 -1.26 -5.08 115.26 111.58 1fg9 n ASN 53 Ca -0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1fg9 n ASN 53 Cb 0.30 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 1fg9 n ASN 53 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1fg9 n SER 54 N 0.00 0.00 -4.82 6.41 2.88 -1.26 -5.11 113.62 111.72 1fg9 n SER 54 Ca 0.00 -1.09 -0.35 0.00 -1.33 0.00 0.00 58.87 56.10 1fg9 n SER 54 Cb 0.00 -0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 1fg9 n SER 54 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1fg9 s GLU 55 N 0.00 4.25 0.73 -1.46 0.41 -1.26 -5.07 118.70 116.30 1fg9 s GLU 55 Ca 0.00 0.96 -0.02 0.00 -0.41 0.00 0.00 54.97 55.50 1fg9 s GLU 55 Cb 0.00 -2.60 0.13 0.00 -1.78 0.00 0.00 34.13 29.88 1fg9 s GLU 55 CO 0.00 0.22 1.01 -1.58 -0.49 0.00 0.00 175.26 174.42 1fg9 s TRP 56 N -1.80 1.68 -0.02 1.61 0.52 -1.26 -4.89 118.94 114.78 1fg9 s TRP 56 Ca 0.51 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.47 1fg9 s TRP 56 Cb -0.14 -3.07 -0.00 0.00 -1.15 0.00 0.00 33.47 29.10 1fg9 s TRP 56 CO 0.19 -1.74 -0.12 -1.50 0.02 0.00 0.00 176.95 173.80 1fg9 s ILE 57 N -3.19 0.98 -0.40 2.03 -1.16 0.28 -4.93 121.20 114.81 1fg9 s ILE 57 Ca 0.66 -0.50 -0.26 0.00 -0.51 0.00 0.00 60.65 60.04 1fg9 s ILE 57 Cb -0.06 -0.84 0.02 0.00 0.61 0.00 0.00 42.46 42.20 1fg9 s ILE 57 CO 0.45 0.29 0.96 -1.81 -2.81 0.00 0.00 174.94 172.02 1fg9 s ASP 58 N -0.10 6.65 -0.11 4.50 -0.00 -1.26 0.62 116.67 126.96 1fg9 s ASP 58 Ca 0.01 0.49 -0.15 0.00 -0.00 0.00 0.00 52.55 52.90 1fg9 s ASP 58 Cb -0.07 -2.48 -0.26 0.00 -0.00 0.00 0.00 42.92 40.11 1fg9 s ASP 58 CO 0.00 -0.95 0.50 0.00 -0.00 0.00 0.00 175.17 174.72 1fg9 h ALA 59 N 8.68 0.21 -2.91 5.23 0.00 -1.19 -3.46 119.26 125.83 1fg9 h ALA 59 Ca -0.23 -1.13 -0.24 0.00 0.00 0.00 0.00 54.91 53.31 1fg9 h ALA 59 Cb 1.07 0.53 -0.33 0.00 0.00 0.00 0.00 17.79 19.06 1fg9 h ALA 59 CO 1.01 0.87 -0.56 0.00 0.00 0.00 0.00 179.25 180.57 1fg9 s ILE 61 N 2.38 2.65 -1.54 0.00 2.07 -1.26 -1.55 121.20 123.96 1fg9 s ILE 61 Ca 0.02 -0.84 -0.05 0.00 -1.41 0.00 0.00 60.65 58.36 1fg9 s ILE 61 Cb -0.12 -2.04 0.01 0.00 0.13 0.00 0.00 42.46 40.44 1fg9 s ILE 61 CO -0.08 0.56 0.71 0.59 -1.91 0.00 0.00 174.94 174.82 1fg9 n ASN 62 N 2.94 -6.23 -4.81 4.50 3.02 0.47 -4.94 115.26 110.21 1fg9 n ASN 62 Ca -0.18 -0.33 -0.34 0.00 -0.03 0.00 0.00 54.58 53.70 1fg9 n ASN 62 Cb 0.52 -5.01 -0.05 0.00 -0.61 0.00 0.00 39.78 34.63 1fg9 n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1fg9 s ILE 63 N -3.21 4.11 -0.13 2.41 -1.09 0.23 -4.42 121.20 119.10 1fg9 s ILE 63 Ca 0.35 1.36 0.20 0.00 -2.23 0.00 0.00 60.65 60.33 1fg9 s ILE 63 Cb -0.16 -3.58 -0.20 0.00 -1.58 0.00 0.00 42.46 36.94 1fg9 s ILE 63 CO 0.44 -0.23 0.59 -1.54 -1.23 0.00 0.00 174.94 172.97 1fg9 n SER 64 N -0.63 0.40 -2.90 3.58 3.41 -1.26 0.14 113.62 116.37 1fg9 n SER 64 Ca 0.07 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1fg9 n SER 64 Cb 0.53 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 1fg9 n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fg9 n HIS 65 N -2.62 -1.52 -2.42 7.33 1.44 -1.26 -4.89 115.22 111.29 1fg9 n HIS 65 Ca -0.11 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.51 1fg9 n HIS 65 Cb 0.77 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.92 1fg9 n HIS 65 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1fg9 n HIS 66 N -1.08 1.69 -3.58 -1.40 8.25 -1.26 -4.89 115.22 112.96 1fg9 n HIS 66 Ca 0.00 -2.02 -0.11 0.00 -0.26 0.00 0.00 57.72 55.33 1fg9 n HIS 66 Cb 0.00 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 1fg9 n HIS 66 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1fg9 s TYR 67 N -3.42 -0.32 -0.26 4.41 1.13 -1.26 -3.55 117.35 114.08 1fg9 s TYR 67 Ca 0.38 0.04 -0.07 0.00 -1.41 0.00 0.00 57.07 56.00 1fg9 s TYR 67 Cb 0.36 0.43 0.12 0.00 -1.10 0.00 0.00 41.96 41.77 1fg9 s TYR 67 CO -0.02 -0.83 0.54 0.00 -2.51 0.00 0.00 175.55 172.73 1fg9 s ASN 69 N 2.76 6.34 -0.06 0.00 3.84 -1.26 0.45 114.94 127.01 1fg9 s ASN 69 Ca 0.01 -0.24 0.10 0.00 0.21 0.00 0.00 52.86 52.94 1fg9 s ASN 69 Cb -0.13 -2.51 0.39 0.00 -0.55 0.00 0.00 41.25 38.46 1fg9 s ASN 69 CO -0.17 -1.46 1.24 2.30 -2.79 0.00 0.00 177.10 176.22 1fg9 n ILE 70 N 6.40 0.96 -0.56 -5.21 -5.35 -0.85 -4.67 119.36 110.09 1fg9 n ILE 70 Ca 0.04 -0.63 0.44 0.00 -0.27 0.00 0.00 62.75 62.33 1fg9 n ILE 70 Cb 0.48 -0.02 0.70 0.00 -1.74 0.00 0.00 39.64 39.05 1fg9 n ILE 70 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1fg9 n SER 71 N 0.52 0.09 -1.97 7.28 7.64 -1.26 -0.56 113.62 125.36 1fg9 n SER 71 Ca 0.14 1.07 -0.20 0.00 1.01 0.00 0.00 58.87 60.89 1fg9 n SER 71 Cb 0.53 -0.53 0.05 0.00 -1.01 0.00 0.00 64.21 63.24 1fg9 n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1fg9 n ASP 72 N -4.11 6.59 0.00 6.43 9.92 -1.26 -3.14 116.55 130.98 1fg9 n ASP 72 Ca 0.39 -3.20 0.00 0.00 -0.53 0.00 0.00 54.79 51.45 1fg9 n ASP 72 Cb 1.67 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1fg9 n ASP 72 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1fg9 n HIS 73 N 0.07 0.00 -3.04 1.24 8.25 0.28 -5.00 115.22 117.03 1fg9 n HIS 73 Ca 0.36 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.38 1fg9 n HIS 73 Cb 0.62 0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 1fg9 n HIS 73 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1fg9 s VAL 74 N 0.00 4.89 0.00 1.59 1.01 -1.19 -4.90 120.40 121.81 1fg9 s VAL 74 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1fg9 s VAL 74 Cb 0.00 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1fg9 s VAL 74 CO 0.00 -1.34 0.00 0.61 0.00 0.00 0.00 175.10 174.37 1fg9 n GLY 75 N 5.13 0.04 3.66 4.51 0.00 -1.26 -4.79 105.19 112.48 1fg9 n GLY 75 Ca 0.13 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1fg9 n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fg9 s ASP 76 N -1.20 6.56 0.00 1.61 -1.08 -1.26 -4.79 116.67 116.51 1fg9 s ASP 76 Ca 0.00 2.46 0.00 0.00 -0.52 0.00 0.00 52.55 54.49 1fg9 s ASP 76 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1fg9 s ASP 76 CO 0.00 -0.98 0.00 -0.81 0.52 0.00 0.00 175.17 173.90 1fg9 n PRO 77 N 7.15 0.00 -0.00 4.34 -0.04 -1.26 -0.63 135.00 144.56 1fg9 n PRO 77 Ca 0.18 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.65 1fg9 n PRO 77 Cb 0.42 -0.99 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 1fg9 n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1fg9 n SER 78 N -0.24 0.89 -4.46 3.54 7.64 -1.26 -0.62 113.62 119.11 1fg9 n SER 78 Ca 0.00 -0.45 -0.43 0.00 1.01 0.00 0.00 58.87 59.00 1fg9 n SER 78 Cb 0.00 1.02 -0.03 0.00 -1.01 0.00 0.00 64.21 64.18 1fg9 n SER 78 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1fg9 s ASN 79 N -1.37 6.36 0.12 6.43 -0.87 0.19 -4.85 114.94 120.95 1fg9 s ASN 79 Ca 0.00 -1.39 -0.14 0.00 -1.57 0.00 0.00 52.86 49.76 1fg9 s ASN 79 Cb 0.01 -2.43 -0.09 0.00 -0.02 0.00 0.00 41.25 38.73 1fg9 s ASN 79 CO 0.08 -1.32 0.25 -1.20 -2.57 0.00 0.00 177.10 172.34 1fg9 n SER 80 N 7.42 -0.75 -4.01 -1.22 7.64 -1.25 -4.51 113.62 116.92 1fg9 n SER 80 Ca 0.09 0.58 -0.09 0.00 1.01 0.00 0.00 58.87 60.46 1fg9 n SER 80 Cb 0.47 -0.50 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1fg9 n SER 80 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1fg9 s LEU 81 N 1.66 2.30 -0.04 -3.43 0.05 0.16 -1.39 118.68 117.99 1fg9 s LEU 81 Ca 0.34 -0.63 0.04 0.00 0.05 0.00 0.00 54.13 53.93 1fg9 s LEU 81 Cb -0.47 0.12 -0.00 0.00 -2.05 0.00 0.00 46.19 43.78 1fg9 s LEU 81 CO 0.30 -0.37 -0.16 0.26 -0.55 0.00 0.00 176.35 175.83 1fg9 s TRP 82 N -2.08 1.61 0.08 3.48 0.51 0.92 0.62 118.94 124.08 1fg9 s TRP 82 Ca -0.10 -0.48 0.09 0.00 -2.12 0.00 0.00 56.10 53.50 1fg9 s TRP 82 Cb -0.05 -1.10 -0.03 0.00 -0.81 0.00 0.00 33.47 31.47 1fg9 s TRP 82 CO -0.03 -0.17 -0.24 0.54 -0.51 0.00 0.00 176.95 176.54 1fg9 s VAL 83 N 0.12 1.96 0.11 4.03 0.11 -1.26 0.05 120.40 125.52 1fg9 s VAL 83 Ca -0.05 -1.49 0.06 0.00 -2.93 0.00 0.00 61.98 57.56 1fg9 s VAL 83 Cb -0.12 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1fg9 s VAL 83 CO 0.02 0.14 -0.14 0.00 -3.33 0.00 0.00 175.10 171.79 1fg9 s ARG 84 N -1.64 0.97 0.05 1.54 1.70 0.19 -0.66 118.95 121.11 1fg9 s ARG 84 Ca 0.10 -1.18 0.01 0.00 -0.47 0.00 0.00 55.73 54.19 1fg9 s ARG 84 Cb -0.10 -0.87 -0.03 0.00 -0.57 0.00 0.00 34.95 33.39 1fg9 s ARG 84 CO 0.04 0.17 -0.05 0.54 -1.08 0.00 0.00 175.30 174.92 1fg9 s VAL 85 N -1.98 0.38 0.33 4.99 0.11 -0.32 0.93 120.40 124.85 1fg9 s VAL 85 Ca 0.06 -1.39 -0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1fg9 s VAL 85 Cb -0.06 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1fg9 s VAL 85 CO 0.03 -0.66 0.41 -1.59 -3.33 0.00 0.00 175.10 169.95 1fg9 s LYS 86 N -2.57 1.83 0.38 1.54 -2.85 -0.48 0.23 119.74 117.81 1fg9 s LYS 86 Ca -0.03 -1.80 0.04 0.00 -1.00 0.00 0.00 55.97 53.17 1fg9 s LYS 86 Cb -0.03 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1fg9 s LYS 86 CO -0.03 -0.73 0.09 0.00 0.10 0.00 0.00 175.35 174.77 1fg9 s ALA 87 N -3.24 2.76 -0.13 0.59 0.00 -1.26 -1.62 121.76 118.86 1fg9 s ALA 87 Ca 0.33 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1fg9 s ALA 87 Cb 0.01 0.66 0.06 0.00 0.00 0.00 0.00 23.12 23.85 1fg9 s ALA 87 CO 0.21 -0.30 0.28 0.50 0.00 0.00 0.00 175.76 176.45 1fg9 s ARG 88 N -3.81 0.18 -0.48 0.00 3.52 -0.82 -2.74 118.95 114.79 1fg9 s ARG 88 Ca 0.28 0.74 -0.03 0.00 -0.13 0.00 0.00 55.73 56.59 1fg9 s ARG 88 Cb 0.05 -0.01 0.13 0.00 -1.56 0.00 0.00 34.95 33.56 1fg9 s ARG 88 CO 0.14 -0.26 0.29 0.08 -0.81 0.00 0.00 175.30 174.74 1fg9 s VAL 89 N 2.22 3.46 0.00 7.11 1.01 -0.67 -1.91 120.40 131.62 1fg9 s VAL 89 Ca -0.01 -2.36 0.00 0.00 0.00 0.00 0.00 61.98 59.61 1fg9 s VAL 89 Cb -0.12 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1fg9 s VAL 89 CO -0.09 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1fg9 n GLY 90 N 4.23 1.75 0.51 4.51 0.00 -1.26 -0.71 105.19 114.21 1fg9 n GLY 90 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1fg9 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg9 n GLN 91 N 0.00 0.00 -3.70 1.61 0.00 -1.26 -5.00 117.38 109.03 1fg9 n GLN 91 Ca 0.00 -0.87 -0.36 0.00 0.00 0.00 0.00 57.00 55.78 1fg9 n GLN 91 Cb 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 30.24 29.73 1fg9 n GLN 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1fg9 s LYS 92 N 0.00 2.83 1.13 2.61 -0.14 0.11 -5.07 119.74 121.21 1fg9 s LYS 92 Ca 0.00 -2.89 -0.17 0.00 -1.36 0.00 0.00 55.97 51.55 1fg9 s LYS 92 Cb 0.00 -3.79 0.26 0.00 -1.68 0.00 0.00 37.83 32.62 1fg9 s LYS 92 CO -0.00 -1.22 1.13 -1.21 -0.76 0.00 0.00 175.35 173.28 1fg9 s GLU 93 N -0.68 -0.68 0.24 1.68 2.02 -1.26 -1.67 118.70 118.35 1fg9 s GLU 93 Ca 0.22 0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.27 1fg9 s GLU 93 Cb -0.14 -1.65 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 1fg9 s GLU 93 CO -0.08 -3.37 0.14 0.45 0.02 0.00 0.00 175.26 172.42 1fg9 n SER 94 N -4.53 0.39 -4.78 -0.19 2.88 -1.11 -4.89 113.62 101.38 1fg9 n SER 94 Ca 0.11 -2.43 -0.33 0.00 -1.33 0.00 0.00 58.87 54.90 1fg9 n SER 94 Cb 0.59 0.87 0.04 0.00 -0.75 0.00 0.00 64.21 64.96 1fg9 n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fg9 s ALA 95 N -2.80 2.54 0.61 -1.46 0.00 -1.26 -4.71 121.76 114.68 1fg9 s ALA 95 Ca 0.19 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1fg9 s ALA 95 Cb 0.01 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1fg9 s ALA 95 CO 0.14 -1.19 1.03 0.71 0.00 0.00 0.00 175.76 176.44 1fg9 s TYR 96 N -2.49 3.54 -0.12 0.00 2.02 -1.26 -4.67 117.35 114.36 1fg9 s TYR 96 Ca 0.65 1.34 -0.00 0.00 -0.37 0.00 0.00 57.07 58.68 1fg9 s TYR 96 Cb -0.18 -2.75 -0.02 0.00 -0.40 0.00 0.00 41.96 38.61 1fg9 s TYR 96 CO 0.43 -0.69 -0.12 0.00 -1.57 0.00 0.00 175.55 173.60 1fg9 s ALA 97 N -3.06 2.66 -0.18 3.71 0.00 0.13 -4.91 121.76 120.12 1fg9 s ALA 97 Ca 0.56 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 1fg9 s ALA 97 Cb -0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1fg9 s ALA 97 CO 0.50 0.28 0.02 0.21 0.00 0.00 0.00 175.76 176.77 1fg9 s LYS 98 N 0.24 3.84 0.53 0.00 2.20 -1.26 -1.17 119.74 124.12 1fg9 s LYS 98 Ca -0.08 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 54.98 1fg9 s LYS 98 Cb -0.15 -3.10 -0.06 0.00 -1.51 0.00 0.00 37.83 33.00 1fg9 s LYS 98 CO 0.05 0.24 0.95 -1.54 -0.36 0.00 0.00 175.35 174.69 1fg9 s SER 99 N 0.42 6.45 0.85 1.43 1.04 0.17 -4.86 113.70 119.20 1fg9 s SER 99 Ca 0.00 1.41 -0.12 0.00 0.48 0.00 0.00 55.95 57.72 1fg9 s SER 99 Cb -0.13 -2.45 0.10 0.00 0.10 0.00 0.00 66.02 63.64 1fg9 s SER 99 CO 0.01 -0.65 1.13 -1.61 0.98 0.00 0.00 173.24 173.10 1fg9 s GLU 100 N -4.46 1.60 0.21 4.02 2.02 -1.26 -4.51 118.70 116.33 1fg9 s GLU 100 Ca 0.56 0.37 -0.32 0.00 0.02 0.00 0.00 54.97 55.59 1fg9 s GLU 100 Cb -0.10 -1.89 -0.12 0.00 0.10 0.00 0.00 34.13 32.12 1fg9 s GLU 100 CO 0.40 -1.89 1.66 -1.91 0.02 0.00 0.00 175.26 173.54 1fg9 n GLU 101 N -3.57 2.61 -4.52 1.61 2.13 -1.26 -4.66 120.64 112.98 1fg9 n GLU 101 Ca 0.07 0.94 -0.30 0.00 0.66 0.00 0.00 57.16 58.53 1fg9 n GLU 101 Cb 0.59 -2.75 -0.12 0.00 0.27 0.00 0.00 31.44 29.42 1fg9 n GLU 101 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1fg9 s PHE 102 N 0.89 2.55 -0.23 4.31 5.36 0.20 -4.91 117.98 126.16 1fg9 s PHE 102 Ca 0.74 -0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 56.42 1fg9 s PHE 102 Cb -0.55 -1.42 0.07 0.00 -0.34 0.00 0.00 43.02 40.79 1fg9 s PHE 102 CO 0.36 0.31 0.07 0.00 -1.46 0.00 0.00 175.22 174.50 1fg9 s ALA 103 N -1.01 0.93 0.20 11.12 0.00 -1.26 0.39 121.76 132.12 1fg9 s ALA 103 Ca 0.16 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 1fg9 s ALA 103 Cb -0.11 -1.26 0.13 0.00 0.00 0.00 0.00 23.12 21.88 1fg9 s ALA 103 CO 0.07 -1.34 1.56 0.28 0.00 0.00 0.00 175.76 176.34 1fg9 h VAL 104 N 6.48 0.07 -0.08 0.00 2.07 -1.89 0.33 116.25 123.22 1fg9 h VAL 104 Ca -0.16 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1fg9 h VAL 104 Cb 1.09 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1fg9 h VAL 104 CO 0.37 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.81 1fg9 h ARG 106 N 0.12 0.09 0.00 0.00 2.43 -1.57 -3.40 114.38 112.06 1fg9 h ARG 106 Ca 0.02 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1fg9 h ARG 106 Cb 0.34 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1fg9 h ARG 106 CO 0.02 1.08 -0.46 -0.25 -1.51 0.00 0.00 179.97 178.85 1fg9 n ASP 107 N -4.32 0.46 -2.66 -3.80 8.00 0.11 -4.95 116.55 109.38 1fg9 n ASP 107 Ca -0.21 -0.18 -0.05 0.00 0.71 0.00 0.00 54.79 55.05 1fg9 n ASP 107 Cb 0.69 0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.99 1fg9 n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fg9 n GLY 108 N 1.50 1.32 3.04 0.44 0.00 0.13 -4.66 105.19 106.96 1fg9 n GLY 108 Ca 0.06 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 1fg9 n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fg9 s LYS 109 N -2.85 0.47 0.12 1.61 2.47 -1.10 -4.99 119.74 115.47 1fg9 s LYS 109 Ca 0.15 -0.74 0.07 0.00 -1.56 0.00 0.00 55.97 53.89 1fg9 s LYS 109 Cb -0.01 -0.15 -0.04 0.00 -1.46 0.00 0.00 37.83 36.18 1fg9 s LYS 109 CO 0.10 0.01 -0.16 0.42 0.16 0.00 0.00 175.35 175.88 1fg9 s ILE 110 N -1.54 1.43 0.74 5.43 1.01 -1.26 -0.87 121.20 126.14 1fg9 s ILE 110 Ca -0.11 -1.66 -0.14 0.00 0.00 0.00 0.00 60.65 58.75 1fg9 s ILE 110 Cb -0.09 -1.51 0.05 0.00 0.01 0.00 0.00 42.46 40.92 1fg9 s ILE 110 CO -0.00 -0.31 1.17 -0.83 0.00 0.00 0.00 174.94 174.96 1fg9 s GLY 111 N -2.29 2.18 1.01 6.18 0.00 -1.26 -0.14 107.32 113.00 1fg9 s GLY 111 Ca 0.08 0.74 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 1fg9 s GLY 111 CO 0.04 1.13 1.08 2.56 0.00 0.00 0.00 173.10 177.91 1fg9 s PRO 112 N -4.11 0.36 0.76 2.90 0.04 -1.22 -3.90 135.00 129.83 1fg9 s PRO 112 Ca 0.71 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 1fg9 s PRO 112 Cb -0.26 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1fg9 s PRO 112 CO 0.47 -2.83 1.08 -1.25 0.04 0.00 0.00 177.00 174.51 1fg9 s PRO 113 N -4.82 1.92 -0.35 0.56 0.04 -1.26 -4.49 135.00 126.60 1fg9 s PRO 113 Ca 0.66 -0.27 -0.06 0.00 0.04 0.00 0.00 61.00 61.36 1fg9 s PRO 113 Cb -0.20 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.29 1fg9 s PRO 113 CO 0.59 -1.47 0.12 0.15 0.04 0.00 0.00 177.00 176.43 1fg9 s LYS 114 N -5.38 2.57 0.17 4.56 1.02 0.63 -4.65 119.74 118.66 1fg9 s LYS 114 Ca 0.63 -1.26 -0.22 0.00 0.02 0.00 0.00 55.97 55.14 1fg9 s LYS 114 Cb -0.09 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.64 1fg9 s LYS 114 CO 0.46 -0.72 0.71 -0.51 -0.92 0.00 0.00 175.35 174.37 1fg9 s LEU 115 N 1.38 4.48 -0.14 3.17 1.43 -1.26 -0.73 118.68 127.02 1fg9 s LEU 115 Ca -0.01 1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 54.53 1fg9 s LEU 115 Cb -0.20 -3.32 0.06 0.00 0.03 0.00 0.00 46.19 42.76 1fg9 s LEU 115 CO 0.02 0.15 0.14 -1.81 0.23 0.00 0.00 176.35 175.09 1fg9 s ASP 116 N -1.34 1.47 0.28 2.29 1.01 0.05 -4.94 116.67 115.49 1fg9 s ASP 116 Ca 0.37 -0.15 0.07 0.00 0.71 0.00 0.00 52.55 53.55 1fg9 s ASP 116 Cb -0.20 0.10 -0.03 0.00 1.01 0.00 0.00 42.92 43.80 1fg9 s ASP 116 CO 0.23 -0.30 0.26 -0.51 0.21 0.00 0.00 175.17 175.05 1fg9 s ILE 117 N 2.24 4.18 0.00 0.77 2.07 -1.26 0.03 121.20 129.23 1fg9 s ILE 117 Ca 0.04 -1.34 0.00 0.00 -1.41 0.00 0.00 60.65 57.94 1fg9 s ILE 117 Cb -0.14 -3.36 0.00 0.00 0.13 0.00 0.00 42.46 39.08 1fg9 s ILE 117 CO -0.08 -0.28 0.00 -2.11 -1.91 0.00 0.00 174.94 170.56 1fg9 n ARG 118 N -1.29 0.00 -3.69 3.50 1.85 -0.99 -4.97 116.66 111.08 1fg9 n ARG 118 Ca -0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.66 1fg9 n ARG 118 Cb 0.58 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.92 1fg9 n ARG 118 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1fg9 s LYS 119 N 1.98 0.83 -0.20 2.89 1.02 -1.26 -3.75 119.74 121.25 1fg9 s LYS 119 Ca 0.00 -0.19 -0.08 0.00 0.02 0.00 0.00 55.97 55.72 1fg9 s LYS 119 Cb 0.00 0.37 0.08 0.00 -0.52 0.00 0.00 37.83 37.77 1fg9 s LYS 119 CO 0.00 -0.26 0.45 -1.21 -0.92 0.00 0.00 175.35 173.41 1fg9 s GLU 120 N -1.75 0.38 0.00 1.68 2.02 -0.41 -4.89 118.70 115.74 1fg9 s GLU 120 Ca -0.10 1.00 0.00 0.00 0.02 0.00 0.00 54.97 55.89 1fg9 s GLU 120 Cb -0.03 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.45 1fg9 s GLU 120 CO 0.03 -0.21 0.00 0.39 0.02 0.00 0.00 175.26 175.48 1fg9 n GLU 121 N 5.00 0.00 -0.11 1.61 1.02 -1.26 0.13 120.64 127.03 1fg9 n GLU 121 Ca -0.14 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.06 1fg9 n GLU 121 Cb 0.52 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.05 1fg9 n GLU 121 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1fg9 n LYS 122 N 0.00 2.00 -4.00 3.49 4.81 -1.26 -5.03 118.16 118.17 1fg9 n LYS 122 Ca 0.00 -1.73 -0.18 0.00 -0.87 0.00 0.00 58.31 55.53 1fg9 n LYS 122 Cb 0.00 -1.26 -0.16 0.00 0.02 0.00 0.00 35.03 33.63 1fg9 n LYS 122 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1fg9 s GLN 123 N -0.99 0.45 0.16 1.64 -2.07 0.36 -2.13 119.66 117.07 1fg9 s GLN 123 Ca 0.20 0.02 -0.30 0.00 -1.82 0.00 0.00 55.36 53.46 1fg9 s GLN 123 Cb 0.11 -0.57 -0.07 0.00 -1.09 0.00 0.00 33.01 31.39 1fg9 s GLN 123 CO 0.16 -0.11 1.00 0.42 -1.32 0.00 0.00 175.29 175.43 1fg9 s ILE 124 N 0.96 4.20 -0.08 3.63 1.01 -0.76 -1.29 121.20 128.88 1fg9 s ILE 124 Ca -0.11 1.93 0.01 0.00 0.00 0.00 0.00 60.65 62.48 1fg9 s ILE 124 Cb -0.14 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 1fg9 s ILE 124 CO -0.01 0.35 -0.07 -0.04 0.00 0.00 0.00 174.94 175.16 1fg9 s MET 125 N -0.39 2.82 -0.13 2.79 -1.94 -1.25 -1.11 119.30 120.09 1fg9 s MET 125 Ca 0.46 -0.55 0.02 0.00 -1.71 0.00 0.00 55.69 53.91 1fg9 s MET 125 Cb -0.26 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 33.99 1fg9 s MET 125 CO 0.32 0.62 -0.18 0.42 -0.01 0.00 0.00 175.02 176.19 1fg9 s ILE 126 N -0.69 1.79 -0.25 2.53 1.01 -1.12 -2.35 121.20 122.11 1fg9 s ILE 126 Ca 0.11 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1fg9 s ILE 126 Cb -0.11 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1fg9 s ILE 126 CO 0.02 0.50 0.01 -1.81 0.00 0.00 0.00 174.94 173.65 1fg9 s ASP 127 N 0.99 4.68 -0.41 3.58 1.01 0.10 -2.18 116.67 124.44 1fg9 s ASP 127 Ca -0.05 -0.56 -0.04 0.00 0.71 0.00 0.00 52.55 52.61 1fg9 s ASP 127 Cb -0.15 -1.80 0.11 0.00 1.01 0.00 0.00 42.92 42.09 1fg9 s ASP 127 CO -0.04 -0.10 0.22 -0.63 0.21 0.00 0.00 175.17 174.83 1fg9 s ILE 128 N 1.48 3.49 -0.15 0.77 1.01 -0.89 -0.77 121.20 126.13 1fg9 s ILE 128 Ca 0.04 -1.92 -0.28 0.00 0.00 0.00 0.00 60.65 58.49 1fg9 s ILE 128 Cb -0.16 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 1fg9 s ILE 128 CO -0.01 -0.65 0.96 -0.36 0.00 0.00 0.00 174.94 174.88 1fg9 s PHE 129 N 1.21 3.45 0.61 3.97 0.40 0.09 -1.42 117.98 126.28 1fg9 s PHE 129 Ca 0.07 1.47 -0.18 0.00 -0.60 0.00 0.00 56.93 57.68 1fg9 s PHE 129 Cb -0.23 -3.15 -0.06 0.00 0.51 0.00 0.00 43.02 40.09 1fg9 s PHE 129 CO -0.03 -0.28 0.76 0.72 0.70 0.00 0.00 175.22 177.09 1fg9 n HIS 130 N 5.34 0.11 -1.60 0.36 8.25 -0.87 -0.27 115.22 126.56 1fg9 n HIS 130 Ca 0.08 0.43 -0.41 0.00 -0.26 0.00 0.00 57.72 57.56 1fg9 n HIS 130 Cb 0.48 -2.05 0.01 0.00 1.12 0.00 0.00 29.99 29.56 1fg9 n HIS 130 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1fg9 n PRO 131 N -0.70 1.23 -0.29 -0.41 -0.02 -1.26 -4.57 135.00 128.97 1fg9 n PRO 131 Ca 0.13 0.45 -0.06 0.00 -2.02 0.00 0.00 63.50 61.99 1fg9 n PRO 131 Cb 0.48 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 1fg9 n PRO 131 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1fg9 n SER 132 N 0.47 -0.69 -0.20 2.55 7.64 -1.26 -1.39 113.62 120.74 1fg9 n SER 132 Ca 0.10 1.27 -0.11 0.00 1.01 0.00 0.00 58.87 61.14 1fg9 n SER 132 Cb 0.40 -0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 1fg9 n SER 132 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1fg9 h VAL 133 N 0.00 0.00 -0.19 0.44 -1.51 -1.90 -2.19 116.25 110.89 1fg9 h VAL 133 Ca 0.15 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.63 1fg9 h VAL 133 Cb 0.32 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.47 1fg9 h VAL 133 CO -0.68 0.00 0.10 -0.26 -1.23 0.00 0.00 177.57 175.50 1fg9 h PHE 134 N -0.21 0.18 -0.53 5.19 0.04 -1.58 -3.32 116.94 116.71 1fg9 h PHE 134 Ca 0.09 0.01 -0.37 0.00 2.80 0.00 0.00 57.97 60.49 1fg9 h PHE 134 Cb 0.44 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 1fg9 h PHE 134 CO -0.82 0.11 1.20 0.08 -0.60 0.00 0.00 178.31 178.28 1fg9 s VAL 135 N -6.18 3.61 0.15 -0.55 1.01 -0.70 -4.29 120.40 113.45 1fg9 s VAL 135 Ca -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1fg9 s VAL 135 Cb 0.09 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1fg9 s VAL 135 CO 0.69 -1.12 0.00 0.59 0.00 0.00 0.00 175.10 175.26 1fg9 n ASN 136 N 13.62 0.02 0.00 3.32 4.13 -1.25 -4.81 115.26 130.30 1fg9 n ASN 136 Ca 0.45 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.96 1fg9 n ASN 136 Cb 0.47 0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1fg9 n ASN 136 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fg9 n GLY 137 N 1.81 1.02 2.56 7.41 0.00 -1.26 -4.76 105.19 111.97 1fg9 n GLY 137 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1fg9 n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fg9 n ASP 138 N 0.00 -5.59 -0.08 1.61 9.92 -1.26 -4.85 116.55 116.29 1fg9 n ASP 138 Ca 0.00 0.40 -0.18 0.00 -0.53 0.00 0.00 54.79 54.48 1fg9 n ASP 138 Cb 0.00 -4.85 -0.13 0.00 -0.64 0.00 0.00 41.12 35.50 1fg9 n ASP 138 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1fg9 n GLU 139 N -2.53 0.69 -3.79 -1.24 1.02 -1.26 -4.95 120.64 108.57 1fg9 n GLU 139 Ca -0.22 0.18 -0.20 0.00 -0.02 0.00 0.00 57.16 56.90 1fg9 n GLU 139 Cb 0.68 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.50 1fg9 n GLU 139 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1fg9 s GLN 140 N -2.53 3.34 -0.98 3.49 -2.07 -1.26 -5.29 119.66 114.36 1fg9 s GLN 140 Ca -0.28 -0.82 -0.28 0.00 -1.82 0.00 0.00 55.36 52.16 1fg9 s GLN 140 Cb 0.08 -2.86 -0.23 0.00 -1.09 0.00 0.00 33.01 28.92 1fg9 s GLN 140 CO 0.68 0.30 2.63 -1.91 -1.32 0.00 0.00 175.29 175.67 1fg9 n GLU 141 N -1.50 0.04 0.00 9.60 0.00 -1.26 -4.99 120.64 122.53 1fg9 n GLU 141 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1fg9 n GLU 141 Cb 0.57 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1fg9 n GLU 141 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1fg9 n THR 148 N 7.31 0.00 1.55 6.31 5.66 -1.26 -4.99 114.28 128.87 1fg9 n THR 148 Ca 0.65 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.80 1fg9 n THR 148 Cb 0.06 0.00 0.70 0.00 -1.55 0.00 0.00 70.33 69.54 1fg9 n THR 148 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1fg9 n THR 149 N -1.08 0.00 -2.60 1.09 -2.24 -1.26 -4.60 114.28 103.59 1fg9 n THR 149 Ca 0.00 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 1fg9 n THR 149 Cb 0.00 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.06 1fg9 n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fg9 s TYR 151 N 4.24 1.10 -0.03 0.00 -0.85 -1.26 -4.95 117.35 115.59 1fg9 s TYR 151 Ca 0.51 -1.28 -0.27 0.00 -0.52 0.00 0.00 57.07 55.51 1fg9 s TYR 151 Cb 0.03 -0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.01 1fg9 s TYR 151 CO 0.03 -0.88 0.86 0.42 -1.52 0.00 0.00 175.55 174.46 1fg9 s ILE 152 N -3.72 4.94 -0.24 -3.49 -1.09 -1.26 0.15 121.20 116.50 1fg9 s ILE 152 Ca 0.34 1.79 -0.13 0.00 -2.23 0.00 0.00 60.65 60.41 1fg9 s ILE 152 Cb 0.03 -4.20 -0.10 0.00 -1.58 0.00 0.00 42.46 36.61 1fg9 s ILE 152 CO 0.17 0.19 -0.33 -2.11 -1.23 0.00 0.00 174.94 171.63 1fg9 n ARG 153 N 3.91 0.53 -4.88 2.79 1.85 0.89 -4.67 116.66 117.08 1fg9 n ARG 153 Ca 0.03 0.23 -0.28 0.00 -1.00 0.00 0.00 57.85 56.83 1fg9 n ARG 153 Cb 0.51 -1.39 -0.17 0.00 -1.05 0.00 0.00 32.46 30.36 1fg9 n ARG 153 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1fg9 s VAL 154 N -2.54 1.56 -0.14 8.89 -7.23 -1.24 -0.84 120.40 118.86 1fg9 s VAL 154 Ca -0.34 -0.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.98 1fg9 s VAL 154 Cb 0.12 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 1fg9 s VAL 154 CO 0.44 0.45 0.27 -0.31 -0.31 0.00 0.00 175.10 175.64 1fg9 s TYR 155 N 0.50 3.50 -0.72 2.82 2.02 -0.68 -1.62 117.35 123.18 1fg9 s TYR 155 Ca -0.16 0.61 -0.13 0.00 -0.37 0.00 0.00 57.07 57.01 1fg9 s TYR 155 Cb -0.17 -2.27 0.19 0.00 -0.40 0.00 0.00 41.96 39.31 1fg9 s TYR 155 CO 0.06 0.35 0.65 -0.80 -1.57 0.00 0.00 175.55 174.25 1fg9 s ASN 156 N 0.09 6.45 -0.36 2.29 0.01 0.06 -2.88 114.94 120.59 1fg9 s ASN 156 Ca 0.16 -2.44 -0.28 0.00 -0.71 0.00 0.00 52.86 49.59 1fg9 s ASN 156 Cb -0.13 -2.17 0.02 0.00 0.41 0.00 0.00 41.25 39.38 1fg9 s ASN 156 CO 0.04 -0.64 1.04 -0.69 -1.51 0.00 0.00 177.10 175.35 1fg9 s VAL 157 N 0.57 4.47 -0.01 1.60 1.01 -0.54 -2.90 120.40 124.61 1fg9 s VAL 157 Ca 0.13 1.48 -0.09 0.00 0.00 0.00 0.00 61.98 63.50 1fg9 s VAL 157 Cb -0.17 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 1fg9 s VAL 157 CO -0.05 -0.60 0.30 -0.31 0.00 0.00 0.00 175.10 174.44 1fg9 s TYR 158 N 3.76 3.62 -0.12 5.22 1.51 -0.18 -0.54 117.35 130.63 1fg9 s TYR 158 Ca 0.44 0.71 -0.01 0.00 -1.01 0.00 0.00 57.07 57.20 1fg9 s TYR 158 Cb -0.11 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1fg9 s TYR 158 CO 0.20 0.63 -0.03 0.08 -1.11 0.00 0.00 175.55 175.31 1fg9 s VAL 159 N -1.21 0.74 -0.08 0.71 1.01 -0.56 -2.59 120.40 118.43 1fg9 s VAL 159 Ca 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1fg9 s VAL 159 Cb -0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1fg9 s VAL 159 CO 0.13 0.21 -0.02 -0.60 0.00 0.00 0.00 175.10 174.83 1fg9 s ARG 160 N 1.81 2.95 0.00 2.72 3.52 0.01 -2.29 118.95 127.67 1fg9 s ARG 160 Ca 0.03 -0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 55.04 1fg9 s ARG 160 Cb -0.13 -2.75 0.02 0.00 -1.56 0.00 0.00 34.95 30.53 1fg9 s ARG 160 CO -0.07 0.68 0.32 1.41 -0.81 0.00 0.00 175.30 176.83 1fg9 s MET 161 N -0.82 0.73 0.00 5.12 1.75 -1.16 0.44 119.30 125.35 1fg9 s MET 161 Ca 0.12 -0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.30 1fg9 s MET 161 Cb -0.11 0.32 0.00 0.00 2.84 0.00 0.00 34.83 37.88 1fg9 s MET 161 CO 0.02 -0.21 0.00 -1.71 -0.65 0.00 0.00 175.02 172.47 1fg9 n ASN 162 N 1.05 0.00 -2.34 1.11 2.85 -1.26 -0.97 115.26 115.70 1fg9 n ASN 162 Ca -0.21 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.01 1fg9 n ASN 162 Cb 0.57 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.58 1fg9 n ASN 162 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1fg9 n GLY 163 N 0.00 4.48 2.94 8.20 0.00 -1.26 -4.97 105.19 114.58 1fg9 n GLY 163 Ca 0.00 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 1fg9 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fg9 s SER 164 N 0.04 0.73 0.16 1.61 0.01 -0.14 -5.16 113.70 110.96 1fg9 s SER 164 Ca 0.51 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.71 1fg9 s SER 164 Cb 0.36 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 1fg9 s SER 164 CO -0.16 0.03 0.17 -0.70 0.41 0.00 0.00 173.24 172.99 1fg9 s GLU 165 N 0.22 3.04 -0.15 12.44 2.12 -1.26 -3.01 118.70 132.09 1fg9 s GLU 165 Ca -0.02 -0.80 -0.11 0.00 0.36 0.00 0.00 54.97 54.40 1fg9 s GLU 165 Cb -0.06 -2.73 0.05 0.00 0.26 0.00 0.00 34.13 31.65 1fg9 s GLU 165 CO -0.00 0.49 0.38 -1.50 -0.54 0.00 0.00 175.26 174.09 1fg9 s ILE 166 N -1.75 -0.02 0.39 -3.70 2.07 -0.97 -5.02 121.20 112.21 1fg9 s ILE 166 Ca 0.32 0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.69 1fg9 s ILE 166 Cb -0.10 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 1fg9 s ILE 166 CO 0.25 0.02 0.46 -1.10 -1.91 0.00 0.00 174.94 172.66 1fg9 s GLN 167 N 0.86 2.81 -0.02 3.50 -0.21 -1.26 -1.50 119.66 123.84 1fg9 s GLN 167 Ca -0.05 -1.27 -0.01 0.00 0.02 0.00 0.00 55.36 54.06 1fg9 s GLN 167 Cb -0.06 -2.64 0.02 0.00 1.00 0.00 0.00 33.01 31.33 1fg9 s GLN 167 CO -0.06 -0.12 0.04 0.71 -2.12 0.00 0.00 175.29 173.74 1fg9 s TYR 168 N -2.33 -0.01 0.16 0.91 4.12 0.30 -4.96 117.35 115.54 1fg9 s TYR 168 Ca 0.49 0.14 -0.02 0.00 0.02 0.00 0.00 57.07 57.70 1fg9 s TYR 168 Cb -0.08 -0.14 0.03 0.00 -1.52 0.00 0.00 41.96 40.26 1fg9 s TYR 168 CO 0.30 -0.07 0.21 1.63 0.02 0.00 0.00 175.55 177.65 1fg9 n LYS 169 N 3.79 0.04 0.00 -0.62 5.02 -1.26 -1.47 118.16 123.66 1fg9 n LYS 169 Ca -0.22 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 1fg9 n LYS 169 Cb 0.54 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1fg9 n LYS 169 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1fg9 n ILE 170 N -2.06 0.00 -3.11 -0.18 5.41 -1.14 -4.70 119.36 113.58 1fg9 n ILE 170 Ca 0.03 0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.33 1fg9 n ILE 170 Cb 0.10 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.99 1fg9 n ILE 170 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1fg9 s LEU 171 N 0.00 5.48 0.61 1.39 1.02 -1.26 -1.69 118.68 124.24 1fg9 s LEU 171 Ca 0.00 -1.60 0.25 0.00 0.02 0.00 0.00 54.13 52.79 1fg9 s LEU 171 Cb 0.00 -2.30 1.02 0.00 0.02 0.00 0.00 46.19 44.93 1fg9 s LEU 171 CO 0.00 -1.06 1.47 0.71 0.02 0.00 0.00 176.35 177.49 1fg9 h THR 172 N 5.82 0.10 0.00 5.49 1.35 -1.26 -3.13 112.91 121.28 1fg9 h THR 172 Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1fg9 h THR 172 Cb 1.08 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1fg9 h THR 172 CO 1.07 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.34 1fg9 n GLN 173 N -3.26 0.00 -1.93 4.72 1.13 -1.26 -4.68 117.38 112.10 1fg9 n GLN 173 Ca 0.15 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.83 1fg9 n GLN 173 Cb 1.16 -0.15 -0.04 0.00 0.11 0.00 0.00 30.24 31.33 1fg9 n GLN 173 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1fg9 n LYS 174 N -1.00 2.16 0.00 -1.09 2.85 -1.18 -4.62 118.16 115.28 1fg9 n LYS 174 Ca 0.00 -2.54 0.00 0.00 -1.05 0.00 0.00 58.31 54.72 1fg9 n LYS 174 Cb 0.00 -3.41 0.00 0.00 -0.65 0.00 0.00 35.03 30.97 1fg9 n LYS 174 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1fg9 n GLU 175 N 7.68 0.00 -1.89 -1.58 4.07 -1.22 -4.73 120.64 122.97 1fg9 n GLU 175 Ca 0.48 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 57.26 1fg9 n GLU 175 Cb 0.44 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.86 1fg9 n GLU 175 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1fg9 n ASP 176 N 0.00 6.43 -0.09 4.31 4.64 -1.26 -4.33 116.55 126.25 1fg9 n ASP 176 Ca 0.00 -3.78 -0.11 0.00 -1.38 0.00 0.00 54.79 49.52 1fg9 n ASP 176 Cb 0.00 -0.76 -0.12 0.00 -1.04 0.00 0.00 41.12 39.20 1fg9 n ASP 176 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1fg9 n ASP 177 N -0.67 1.38 -4.94 1.67 9.92 -1.26 -4.98 116.55 117.67 1fg9 n ASP 177 Ca 0.51 -0.04 -0.24 0.00 -0.53 0.00 0.00 54.79 54.49 1fg9 n ASP 177 Cb 0.61 0.48 -0.00 0.00 -0.64 0.00 0.00 41.12 41.56 1fg9 n ASP 177 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fg9 s ASP 179 N -4.10 -0.07 0.60 0.00 1.47 -0.41 -4.94 116.67 109.23 1fg9 s ASP 179 Ca 0.44 -0.90 0.28 0.00 1.18 0.00 0.00 52.55 53.55 1fg9 s ASP 179 Cb -0.10 0.75 1.12 0.00 -0.34 0.00 0.00 42.92 44.36 1fg9 s ASP 179 CO 0.38 -1.44 1.50 -0.33 0.68 0.00 0.00 175.17 175.95 1fg9 h GLU 180 N 2.04 0.00 0.00 2.11 4.39 -1.99 -3.03 114.58 118.10 1fg9 h GLU 180 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1fg9 h GLU 180 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1fg9 h GLU 180 CO 0.32 0.00 -0.62 -0.89 -1.16 0.00 0.00 179.01 176.66 1fg9 n ILE 181 N -3.40 0.98 -2.79 3.13 2.08 -1.26 -4.74 119.36 113.37 1fg9 n ILE 181 Ca 0.19 0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.76 1fg9 n ILE 181 Cb 1.27 -2.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.14 1fg9 n ILE 181 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1fg9 n GLN 182 N -3.76 3.99 -3.60 0.38 10.64 -1.15 -2.04 117.38 121.85 1fg9 n GLN 182 Ca -0.09 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.95 1fg9 n GLN 182 Cb 0.32 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.65 1fg9 n GLN 182 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fg9 s GLN 184 N -2.36 1.34 -0.36 0.00 -1.52 -1.04 -2.09 119.66 113.63 1fg9 s GLN 184 Ca -0.06 -1.46 0.03 0.00 -1.95 0.00 0.00 55.36 51.92 1fg9 s GLN 184 Cb -0.01 -1.41 0.19 0.00 -0.22 0.00 0.00 33.01 31.56 1fg9 s GLN 184 CO -0.01 0.28 0.74 -1.17 -0.25 0.00 0.00 175.29 174.88 1fg9 s LEU 185 N -2.78 -1.23 0.90 2.90 0.20 -0.93 -4.86 118.68 112.88 1fg9 s LEU 185 Ca 0.18 -0.43 -0.11 0.00 0.69 0.00 0.00 54.13 54.46 1fg9 s LEU 185 Cb -0.06 1.61 0.13 0.00 -0.43 0.00 0.00 46.19 47.45 1fg9 s LEU 185 CO 0.08 -0.16 1.09 0.00 -0.29 0.00 0.00 176.35 177.07 1fg9 s ALA 186 N 2.12 1.48 -0.13 5.97 0.00 -1.26 -2.81 121.76 127.13 1fg9 s ALA 186 Ca 0.15 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 1fg9 s ALA 186 Cb -0.03 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.88 1fg9 s ALA 186 CO -0.13 -2.43 0.33 0.42 0.00 0.00 0.00 175.76 173.95 1fg9 s ILE 187 N -2.86 -0.00 0.28 0.00 1.01 -0.27 -4.94 121.20 114.42 1fg9 s ILE 187 Ca 0.64 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 61.01 1fg9 s ILE 187 Cb -0.19 -0.47 -0.09 0.00 0.01 0.00 0.00 42.46 41.72 1fg9 s ILE 187 CO 0.58 0.00 0.98 -2.16 0.00 0.00 0.00 174.94 174.34 1fg9 s PRO 188 N 0.27 4.70 -0.96 2.79 0.04 -1.26 -1.82 135.00 138.76 1fg9 s PRO 188 Ca -0.01 1.52 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 1fg9 s PRO 188 Cb -0.03 -3.09 -0.13 0.00 0.04 0.00 0.00 34.50 31.30 1fg9 s PRO 188 CO -0.00 0.35 2.14 0.08 0.04 0.00 0.00 177.00 179.60 1fg9 s VAL 189 N -1.32 3.22 0.90 -0.36 1.01 -0.91 -4.89 120.40 118.06 1fg9 s VAL 189 Ca 0.45 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1fg9 s VAL 189 Cb -0.25 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.49 1fg9 s VAL 189 CO 0.32 -0.44 1.09 -0.55 0.00 0.00 0.00 175.10 175.52 1fg9 s SER 190 N 8.85 3.33 0.00 3.32 0.15 -1.26 -4.65 113.70 123.43 1fg9 s SER 190 Ca 0.80 1.62 0.00 0.00 0.70 0.00 0.00 55.95 59.07 1fg9 s SER 190 Cb -0.07 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1fg9 s SER 190 CO 0.09 -2.75 0.00 -1.20 1.20 0.00 0.00 173.24 170.58 1fg9 n SER 191 N -3.97 0.00 0.00 5.45 7.64 -1.26 -2.32 113.62 119.16 1fg9 n SER 191 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1fg9 n SER 191 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1fg9 n SER 191 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1fg9 n LEU 192 N -0.47 0.06 -4.72 -3.43 0.00 -1.26 -4.84 117.00 102.34 1fg9 n LEU 192 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.66 1fg9 n LEU 192 Cb 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 43.42 43.16 1fg9 n LEU 192 CO 0.00 -0.03 -0.23 0.21 0.00 0.00 0.00 177.39 177.34 1fg9 s ASN 193 N -0.46 5.84 0.41 1.96 2.47 -0.98 -5.09 114.94 119.08 1fg9 s ASN 193 Ca 0.00 0.22 0.08 0.00 0.42 0.00 0.00 52.86 53.58 1fg9 s ASN 193 Cb 0.00 -1.92 -0.03 0.00 -1.45 0.00 0.00 41.25 37.85 1fg9 s ASN 193 CO 0.00 0.28 0.29 -0.55 -3.72 0.00 0.00 177.10 173.40 1fg9 s SER 194 N -0.27 4.82 0.00 -4.21 0.15 -1.26 -4.67 113.70 108.26 1fg9 s SER 194 Ca 0.09 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1fg9 s SER 194 Cb -0.12 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1fg9 s SER 194 CO 0.01 -0.58 0.00 1.67 1.20 0.00 0.00 173.24 175.54 1fg9 n GLN 195 N -1.41 0.00 -3.32 5.44 -0.06 -1.02 -4.57 117.38 112.44 1fg9 n GLN 195 Ca 0.01 0.14 -0.36 0.00 -2.00 0.00 0.00 57.00 54.79 1fg9 n GLN 195 Cb 0.63 -0.70 -0.06 0.00 -4.06 0.00 0.00 30.24 26.05 1fg9 n GLN 195 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1fg9 s TYR 196 N -2.46 3.64 -0.19 3.69 1.51 -0.92 -4.39 117.35 118.22 1fg9 s TYR 196 Ca 0.00 1.13 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 1fg9 s TYR 196 Cb 0.00 -2.42 0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1fg9 s TYR 196 CO 0.00 0.45 -0.09 0.00 -1.11 0.00 0.00 175.55 174.80 1fg9 s VAL 198 N 1.46 5.24 0.06 0.00 1.01 -1.25 -0.81 120.40 126.10 1fg9 s VAL 198 Ca -0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1fg9 s VAL 198 Cb -0.16 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1fg9 s VAL 198 CO -0.08 0.41 0.32 -0.94 0.00 0.00 0.00 175.10 174.81 1fg9 s SER 199 N -1.63 -0.14 -0.27 3.32 1.04 -1.07 -1.86 113.70 113.10 1fg9 s SER 199 Ca 0.23 -0.21 -0.23 0.00 0.48 0.00 0.00 55.95 56.22 1fg9 s SER 199 Cb -0.12 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.45 1fg9 s SER 199 CO 0.13 -0.66 0.70 0.00 0.98 0.00 0.00 173.24 174.40 1fg9 s ALA 200 N -2.77 -1.75 0.15 5.32 0.00 -1.26 -1.01 121.76 120.45 1fg9 s ALA 200 Ca -0.03 2.05 0.10 0.00 0.00 0.00 0.00 51.96 54.08 1fg9 s ALA 200 Cb -0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1fg9 s ALA 200 CO -0.05 -0.34 -0.24 -1.83 0.00 0.00 0.00 175.76 173.30 1fg9 s GLU 201 N 0.57 1.39 0.25 0.00 -1.05 -1.14 -2.26 118.70 116.46 1fg9 s GLU 201 Ca -0.02 -1.40 0.07 0.00 -0.15 0.00 0.00 54.97 53.48 1fg9 s GLU 201 Cb -0.05 -1.75 -0.03 0.00 -0.44 0.00 0.00 34.13 31.86 1fg9 s GLU 201 CO -0.02 0.39 0.21 0.20 0.95 0.00 0.00 175.26 176.99 1fg9 s GLY 202 N -2.33 1.41 0.01 -3.83 0.00 -1.26 -0.77 107.32 100.55 1fg9 s GLY 202 Ca 0.16 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.50 1fg9 s GLY 202 CO 0.07 -1.45 -0.11 0.14 0.00 0.00 0.00 173.10 171.75 1fg9 s VAL 203 N -2.13 0.85 0.14 1.40 1.01 -0.64 -0.35 120.40 120.69 1fg9 s VAL 203 Ca 0.33 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1fg9 s VAL 203 Cb -0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1fg9 s VAL 203 CO 0.25 0.10 0.20 -0.76 0.00 0.00 0.00 175.10 174.89 1fg9 s LEU 204 N -0.62 4.08 -0.16 3.92 1.43 -0.80 -0.07 118.68 126.45 1fg9 s LEU 204 Ca 0.02 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 1fg9 s LEU 204 Cb -0.06 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1fg9 s LEU 204 CO 0.00 0.08 1.64 -2.28 0.23 0.00 0.00 176.35 176.03 1fg9 s HIS 205 N -1.69 2.04 0.00 0.29 5.65 0.12 -2.48 115.29 119.23 1fg9 s HIS 205 Ca 0.33 0.43 0.00 0.00 0.25 0.00 0.00 55.06 56.06 1fg9 s HIS 205 Cb -0.11 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.35 1fg9 s HIS 205 CO 0.26 -3.29 0.00 0.28 -0.65 0.00 0.00 174.74 171.34 1fg9 n VAL 206 N 6.08 0.00 0.79 0.89 0.31 -1.26 -4.60 118.33 120.53 1fg9 n VAL 206 Ca 0.18 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.63 1fg9 n VAL 206 Cb 0.44 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.56 1fg9 n VAL 206 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1fg9 n TRP 207 N 0.00 0.23 -3.47 3.52 8.01 -1.26 -5.00 117.44 119.47 1fg9 n TRP 207 Ca 0.00 0.07 -0.21 0.00 -1.31 0.00 0.00 57.50 56.05 1fg9 n TRP 207 Cb 0.00 -0.41 0.07 0.00 -2.01 0.00 0.00 31.31 28.96 1fg9 n TRP 207 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fg9 n GLY 208 N 1.42 -0.38 3.70 6.99 0.00 -1.03 -4.98 105.19 110.91 1fg9 n GLY 208 Ca 0.04 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1fg9 n GLY 208 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fg9 s VAL 209 N -3.29 4.96 0.56 1.61 1.01 -1.26 -4.65 120.40 119.34 1fg9 s VAL 209 Ca 0.50 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.98 1fg9 s VAL 209 Cb -0.22 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1fg9 s VAL 209 CO 0.65 0.17 1.03 -0.89 0.00 0.00 0.00 175.10 176.06 1fg9 s THR 210 N 1.17 4.13 0.49 3.92 2.01 -1.26 -1.90 115.64 124.19 1fg9 s THR 210 Ca 0.42 1.02 -0.02 0.00 0.31 0.00 0.00 61.69 63.43 1fg9 s THR 210 Cb -0.18 -3.53 0.10 0.00 0.01 0.00 0.00 72.50 68.89 1fg9 s THR 210 CO 0.20 -0.58 0.67 0.35 -0.69 0.00 0.00 174.62 174.56 1fg9 n THR 211 N -1.81 0.00 -2.62 -0.82 -2.24 0.53 -4.54 114.28 102.78 1fg9 n THR 211 Ca 0.08 -0.95 -0.40 0.00 -2.27 0.00 0.00 64.05 60.51 1fg9 n THR 211 Cb 0.53 -1.16 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 1fg9 n THR 211 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fg9 s GLU 212 N -4.22 4.75 -0.25 -0.78 2.02 0.80 -4.54 118.70 116.48 1fg9 s GLU 212 Ca 0.43 1.63 -0.29 0.00 0.02 0.00 0.00 54.97 56.76 1fg9 s GLU 212 Cb -0.02 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1fg9 s GLU 212 CO 0.29 0.36 1.16 0.21 0.02 0.00 0.00 175.26 177.29 1fg9 s LYS 213 N -1.19 4.13 0.95 1.61 2.20 -1.26 -3.45 119.74 122.73 1fg9 s LYS 213 Ca 0.43 1.33 -0.12 0.00 -0.36 0.00 0.00 55.97 57.25 1fg9 s LYS 213 Cb -0.29 -3.74 0.07 0.00 -1.51 0.00 0.00 37.83 32.36 1fg9 s LYS 213 CO 0.36 -0.82 0.59 -1.13 -0.36 0.00 0.00 175.35 173.98 1fg9 n SER 214 N 6.80 -1.49 -4.85 1.43 3.41 -0.96 -4.88 113.62 113.08 1fg9 n SER 214 Ca 0.13 0.32 -0.32 0.00 -0.26 0.00 0.00 58.87 58.74 1fg9 n SER 214 Cb 0.46 -1.27 -0.05 0.00 -0.26 0.00 0.00 64.21 63.09 1fg9 n SER 214 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1fg9 s LYS 215 N -3.89 3.99 0.27 4.33 2.20 -1.26 -4.38 119.74 120.99 1fg9 s LYS 215 Ca 0.60 0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 56.67 1fg9 s LYS 215 Cb -0.21 -2.32 -0.11 0.00 -1.51 0.00 0.00 37.83 33.68 1fg9 s LYS 215 CO 0.65 -0.00 1.61 -1.21 -0.36 0.00 0.00 175.35 176.04 1fg9 s GLU 216 N -3.41 4.14 -0.73 4.03 2.02 -1.26 -4.79 118.70 118.70 1fg9 s GLU 216 Ca 0.56 2.56 0.04 0.00 0.02 0.00 0.00 54.97 58.14 1fg9 s GLU 216 Cb -0.10 -3.05 0.21 0.00 0.10 0.00 0.00 34.13 31.29 1fg9 s GLU 216 CO 0.22 -0.64 0.65 1.55 0.02 0.00 0.00 175.26 177.06 1fg9 n VAL 217 N 2.64 2.21 -0.33 2.63 3.14 -0.78 -4.95 118.33 122.89 1fg9 n VAL 217 Ca 0.10 -5.06 -0.30 0.00 -2.96 0.00 0.00 64.34 56.12 1fg9 n VAL 217 Cb 0.37 -2.19 0.29 0.00 -1.06 0.00 0.00 33.84 31.25 1fg9 n VAL 217 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1fg9 s ILE 219 N -2.23 0.13 0.00 0.00 2.07 0.13 -4.92 121.20 116.38 1fg9 s ILE 219 Ca 0.68 -1.10 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1fg9 s ILE 219 Cb -0.14 -1.06 0.00 0.00 0.13 0.00 0.00 42.46 41.38 1fg9 s ILE 219 CO 0.58 -0.60 0.00 0.41 -1.91 0.00 0.00 174.94 173.42 1fg9 n THR 220 N 0.47 0.00 0.00 4.00 -1.04 -1.26 -2.17 114.28 114.28 1fg9 n THR 220 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1fg9 n THR 220 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1fg9 n THR 220 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05