#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf2 s LEU 2 N 0.00 2.92 -0.06 4.31 2.96 -1.26 -4.98 118.68 122.56 1xf2 s LEU 2 Ca 0.00 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1xf2 s LEU 2 Cb 0.00 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1xf2 s LEU 2 CO 0.00 0.10 -0.09 0.00 -1.32 0.00 0.00 176.35 175.05 1xf2 s GLN 3 N 0.73 2.70 -0.16 1.98 -2.07 -1.26 -4.85 119.66 116.73 1xf2 s GLN 3 Ca -0.04 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.92 1xf2 s GLN 3 Cb -0.15 -2.54 0.00 0.00 -1.09 0.00 0.00 33.01 29.23 1xf2 s GLN 3 CO 0.02 0.65 -0.16 -1.64 -1.32 0.00 0.00 175.29 172.84 1xf2 s MET 4 N -0.77 3.18 -0.45 9.60 1.00 -1.26 -1.55 119.30 129.04 1xf2 s MET 4 Ca 0.12 -0.76 -0.10 0.00 0.00 0.00 0.00 55.69 54.94 1xf2 s MET 4 Cb -0.11 -2.61 0.10 0.00 0.00 0.00 0.00 34.83 32.20 1xf2 s MET 4 CO 0.01 -0.02 0.32 0.99 0.00 0.00 0.00 175.02 176.32 1xf2 s THR 5 N 0.90 4.40 0.06 2.05 2.01 -0.46 -4.30 115.64 120.31 1xf2 s THR 5 Ca -0.04 -1.50 -0.11 0.00 0.31 0.00 0.00 61.69 60.35 1xf2 s THR 5 Cb -0.15 -3.77 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 1xf2 s THR 5 CO -0.02 -0.63 0.42 -1.58 -0.69 0.00 0.00 174.62 172.12 1xf2 s GLN 6 N 1.44 3.82 -0.12 4.92 0.74 -1.26 -1.37 119.66 127.82 1xf2 s GLN 6 Ca 0.04 0.26 -0.11 0.00 0.05 0.00 0.00 55.36 55.60 1xf2 s GLN 6 Cb -0.25 -3.05 0.03 0.00 1.10 0.00 0.00 33.01 30.85 1xf2 s GLN 6 CO 0.02 0.59 0.33 -1.12 -0.55 0.00 0.00 175.29 174.55 1xf2 s SER 7 N -1.58 -0.34 0.67 6.67 0.01 0.21 -4.49 113.70 114.85 1xf2 s SER 7 Ca 0.31 0.66 -0.05 0.00 1.31 0.00 0.00 55.95 58.18 1xf2 s SER 7 Cb -0.15 0.67 0.05 0.00 0.21 0.00 0.00 66.02 66.80 1xf2 s SER 7 CO 0.17 -0.12 0.97 -2.16 0.41 0.00 0.00 173.24 172.51 1xf2 s PRO 8 N 0.23 2.30 0.19 12.44 0.04 -1.26 -0.75 135.00 148.19 1xf2 s PRO 8 Ca -0.00 -0.32 -0.09 0.00 0.04 0.00 0.00 61.00 60.62 1xf2 s PRO 8 Cb -0.03 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1xf2 s PRO 8 CO -0.00 -1.12 1.68 0.00 0.04 0.00 0.00 177.00 177.60 1xf2 h ALA 9 N -0.46 0.88 -2.60 8.56 0.00 -1.79 -3.40 119.26 120.45 1xf2 h ALA 9 Ca -0.44 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 53.88 1xf2 h ALA 9 Cb 1.31 -0.25 -0.17 0.00 0.00 0.00 0.00 17.79 18.68 1xf2 h ALA 9 CO 0.59 0.67 -0.72 -1.12 0.00 0.00 0.00 179.25 178.67 1xf2 s SER 10 N -6.52 1.44 -0.29 0.00 0.01 -1.26 -1.83 113.70 105.25 1xf2 s SER 10 Ca -0.12 -0.86 -0.14 0.00 1.31 0.00 0.00 55.95 56.14 1xf2 s SER 10 Cb 0.14 0.02 0.10 0.00 0.21 0.00 0.00 66.02 66.49 1xf2 s SER 10 CO 0.85 -0.30 0.69 -0.22 0.41 0.00 0.00 173.24 174.67 1xf2 s LEU 11 N -2.61 -1.01 -0.12 2.44 2.96 -0.74 -4.94 118.68 114.67 1xf2 s LEU 11 Ca 0.07 1.51 -0.05 0.00 -0.22 0.00 0.00 54.13 55.45 1xf2 s LEU 11 Cb -0.01 2.33 -0.04 0.00 0.50 0.00 0.00 46.19 48.97 1xf2 s LEU 11 CO -0.01 -0.23 0.08 -0.44 -1.32 0.00 0.00 176.35 174.43 1xf2 s SER 12 N 2.11 5.85 0.28 3.68 0.01 -1.26 -1.37 113.70 123.01 1xf2 s SER 12 Ca -0.08 0.28 -0.14 0.00 1.31 0.00 0.00 55.95 57.31 1xf2 s SER 12 Cb -0.08 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.32 1xf2 s SER 12 CO -0.19 0.35 0.58 0.00 0.41 0.00 0.00 173.24 174.39 1xf2 s ALA 13 N -0.68 -0.46 0.09 1.44 0.00 -0.41 -4.90 121.76 116.83 1xf2 s ALA 13 Ca 0.12 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.37 1xf2 s ALA 13 Cb -0.12 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1xf2 s ALA 13 CO 0.02 -0.91 -0.14 -1.12 0.00 0.00 0.00 175.76 173.61 1xf2 s SER 14 N -3.02 4.15 0.19 0.00 0.01 -1.26 -1.38 113.70 112.39 1xf2 s SER 14 Ca 0.19 -0.42 -0.33 0.00 1.31 0.00 0.00 55.95 56.70 1xf2 s SER 14 Cb -0.03 -0.73 -0.13 0.00 0.21 0.00 0.00 66.02 65.34 1xf2 s SER 14 CO 0.10 0.20 1.57 0.52 0.41 0.00 0.00 173.24 176.04 1xf2 n VAL 15 N 0.98 0.21 0.00 3.43 0.31 -1.26 -1.27 118.33 120.73 1xf2 n VAL 15 Ca -0.15 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1xf2 n VAL 15 Cb 0.52 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1xf2 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xf2 n GLY 16 N 3.20 2.81 3.82 2.92 0.00 0.16 -4.93 105.19 113.17 1xf2 n GLY 16 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1xf2 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xf2 s GLU 17 N -0.27 3.70 -0.14 1.61 2.12 -0.40 -4.18 118.70 121.16 1xf2 s GLU 17 Ca 0.00 1.09 -0.04 0.00 0.36 0.00 0.00 54.97 56.38 1xf2 s GLU 17 Cb 0.00 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.26 1xf2 s GLU 17 CO 0.00 -0.49 0.02 0.99 -0.54 0.00 0.00 175.26 175.25 1xf2 s THR 18 N -2.48 4.47 0.20 -1.70 2.01 -1.26 0.11 115.64 116.99 1xf2 s THR 18 Ca 0.62 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1xf2 s THR 18 Cb -0.13 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1xf2 s THR 18 CO 0.32 0.53 0.00 0.68 -0.69 0.00 0.00 174.62 175.46 1xf2 s VAL 19 N -0.21 0.84 -0.03 3.82 -7.23 -0.95 -4.96 120.40 111.69 1xf2 s VAL 19 Ca 0.06 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1xf2 s VAL 19 Cb -0.12 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.61 1xf2 s VAL 19 CO 0.02 -0.39 0.02 -0.89 -0.31 0.00 0.00 175.10 173.55 1xf2 s THR 20 N -3.55 0.03 -0.08 5.32 2.01 -1.26 -1.52 115.64 116.59 1xf2 s THR 20 Ca 0.26 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1xf2 s THR 20 Cb 0.06 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 1xf2 s THR 20 CO 0.06 0.13 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.43 1xf2 s ILE 21 N 1.27 3.71 0.19 1.82 1.01 -0.34 -4.76 121.20 124.11 1xf2 s ILE 21 Ca -0.06 -0.47 0.11 0.00 0.00 0.00 0.00 60.65 60.23 1xf2 s ILE 21 Cb -0.13 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1xf2 s ILE 21 CO -0.03 0.58 -0.21 0.42 0.00 0.00 0.00 174.94 175.71 1xf2 s THR 22 N -0.60 2.55 -0.02 2.92 -4.23 0.07 -0.38 115.64 115.96 1xf2 s THR 22 Ca 0.09 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1xf2 s THR 22 Cb -0.12 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1xf2 s THR 22 CO 0.02 -0.11 0.02 0.00 -0.54 0.00 0.00 174.62 174.01 1xf2 s ARG 24 N 0.94 2.96 0.19 0.00 3.52 -0.47 -1.34 118.95 124.75 1xf2 s ARG 24 Ca -0.08 -0.82 -0.23 0.00 -0.13 0.00 0.00 55.73 54.46 1xf2 s ARG 24 Cb -0.12 -2.53 -0.08 0.00 -1.56 0.00 0.00 34.95 30.66 1xf2 s ARG 24 CO -0.02 -0.18 0.76 0.00 -0.81 0.00 0.00 175.30 175.05 1xf2 s ALA 25 N 1.23 3.43 0.13 6.12 0.00 -0.01 -1.35 121.76 131.31 1xf2 s ALA 25 Ca 0.03 0.30 0.31 0.00 0.00 0.00 0.00 51.96 52.60 1xf2 s ALA 25 Cb -0.13 -2.92 1.25 0.00 0.00 0.00 0.00 23.12 21.32 1xf2 s ALA 25 CO -0.11 0.30 1.95 0.66 0.00 0.00 0.00 175.76 178.55 1xf2 h SER 26 N 3.99 0.00 -5.66 0.00 4.64 -1.61 -3.44 113.55 111.47 1xf2 h SER 26 Ca -0.47 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.55 1xf2 h SER 26 Cb 1.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.15 1xf2 h SER 26 CO 0.66 0.07 -0.56 -1.83 -0.87 0.00 0.00 176.83 174.30 1xf2 s GLU 27 N -3.69 1.38 -0.09 4.77 -1.05 -1.26 -5.00 118.70 113.76 1xf2 s GLU 27 Ca 0.01 -1.72 -0.34 0.00 -0.15 0.00 0.00 54.97 52.77 1xf2 s GLU 27 Cb 0.10 0.30 -0.11 0.00 -0.44 0.00 0.00 34.13 33.97 1xf2 s GLU 27 CO 0.57 -0.48 1.91 -1.71 0.95 0.00 0.00 175.26 176.50 1xf2 n ASN 28 N -0.64 3.50 -0.01 0.83 5.15 -1.26 -4.65 115.26 118.17 1xf2 n ASN 28 Ca 0.03 0.94 0.01 0.00 -0.60 0.00 0.00 54.58 54.96 1xf2 n ASN 28 Cb 0.65 -1.39 0.02 0.00 -0.53 0.00 0.00 39.78 38.53 1xf2 n ASN 28 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1xf2 n ILE 29 N 5.31 1.08 0.00 -1.44 -5.35 -0.97 -5.04 119.36 112.95 1xf2 n ILE 29 Ca 0.23 -1.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 1xf2 n ILE 29 Cb 0.31 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 1xf2 n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1xf2 n TYR 30 N -0.60 0.00 -0.64 4.28 4.02 -1.25 -1.86 117.16 121.11 1xf2 n TYR 30 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.99 1xf2 n TYR 30 Cb 0.31 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 39.91 1xf2 n TYR 30 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1xf2 n SER 31 N 6.72 4.07 -3.44 7.72 3.41 -1.26 -1.70 113.62 129.14 1xf2 n SER 31 Ca 0.00 -2.53 -0.40 0.00 -0.26 0.00 0.00 58.87 55.68 1xf2 n SER 31 Cb 0.00 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 1xf2 n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xf2 n TYR 32 N 0.43 2.61 -4.60 7.33 4.01 -0.77 -1.86 117.16 124.31 1xf2 n TYR 32 Ca 0.21 -2.97 -0.24 0.00 -0.16 0.00 0.00 57.90 54.74 1xf2 n TYR 32 Cb 0.79 -2.23 -0.16 0.00 -0.31 0.00 0.00 39.34 37.42 1xf2 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xf2 s LEU 33 N -0.50 1.74 0.18 7.72 2.96 -1.26 -1.55 118.68 127.97 1xf2 s LEU 33 Ca 0.60 -0.29 0.11 0.00 -0.22 0.00 0.00 54.13 54.34 1xf2 s LEU 33 Cb 0.17 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 1xf2 s LEU 33 CO -0.07 0.07 -0.24 0.00 -1.32 0.00 0.00 176.35 174.79 1xf2 s ALA 34 N 0.40 2.53 -0.06 5.97 0.00 0.59 0.09 121.76 131.27 1xf2 s ALA 34 Ca -0.09 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.33 1xf2 s ALA 34 Cb -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1xf2 s ALA 34 CO 0.03 0.46 -0.22 -1.58 0.00 0.00 0.00 175.76 174.45 1xf2 s TRP 35 N -1.53 2.52 0.09 0.00 0.52 -0.01 -0.57 118.94 119.95 1xf2 s TRP 35 Ca 0.20 -0.62 0.10 0.00 0.02 0.00 0.00 56.10 55.80 1xf2 s TRP 35 Cb -0.08 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 1xf2 s TRP 35 CO 0.09 -0.15 -0.26 0.71 0.02 0.00 0.00 176.95 177.36 1xf2 s TYR 36 N -0.21 2.32 -0.08 -1.98 1.51 0.83 -1.24 117.35 118.52 1xf2 s TYR 36 Ca -0.02 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1xf2 s TYR 36 Cb -0.13 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 1xf2 s TYR 36 CO 0.03 0.23 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.53 1xf2 s GLN 37 N -1.65 2.88 -0.09 -0.62 0.74 0.02 -0.95 119.66 119.98 1xf2 s GLN 37 Ca 0.13 -0.48 -0.01 0.00 0.05 0.00 0.00 55.36 55.05 1xf2 s GLN 37 Cb -0.10 -2.69 0.03 0.00 1.10 0.00 0.00 33.01 31.34 1xf2 s GLN 37 CO 0.04 0.67 -0.04 -1.14 -0.55 0.00 0.00 175.29 174.27 1xf2 s GLN 38 N -0.82 1.11 0.31 1.67 0.74 0.81 -0.34 119.66 123.14 1xf2 s GLN 38 Ca 0.12 -0.09 -0.03 0.00 0.05 0.00 0.00 55.36 55.41 1xf2 s GLN 38 Cb -0.11 -1.30 -0.05 0.00 1.10 0.00 0.00 33.01 32.65 1xf2 s GLN 38 CO 0.02 -0.28 0.56 0.15 -0.55 0.00 0.00 175.29 175.19 1xf2 s LYS 39 N 1.80 3.59 0.24 1.67 1.02 -1.26 -1.10 119.74 125.69 1xf2 s LYS 39 Ca 0.04 -0.07 -0.31 0.00 0.02 0.00 0.00 55.97 55.65 1xf2 s LYS 39 Cb -0.12 -2.64 -0.12 0.00 -0.52 0.00 0.00 37.83 34.42 1xf2 s LYS 39 CO -0.07 0.18 1.59 0.94 -0.92 0.00 0.00 175.35 177.07 1xf2 n GLN 40 N -1.22 2.51 -1.26 1.68 -0.06 -1.26 -2.28 117.38 115.49 1xf2 n GLN 40 Ca -0.02 0.90 -0.06 0.00 -2.00 0.00 0.00 57.00 55.81 1xf2 n GLN 40 Cb 0.54 -2.67 -0.02 0.00 -4.06 0.00 0.00 30.24 24.03 1xf2 n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xf2 n GLY 41 N 2.82 0.79 3.11 1.69 0.00 -1.26 -5.01 105.19 107.33 1xf2 n GLY 41 Ca 0.12 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1xf2 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf2 s LYS 42 N -2.68 0.67 0.47 1.61 1.02 -0.96 -5.14 119.74 114.72 1xf2 s LYS 42 Ca 0.00 -1.10 -0.24 0.00 0.02 0.00 0.00 55.97 54.65 1xf2 s LYS 42 Cb 0.00 -0.12 -0.07 0.00 -0.52 0.00 0.00 37.83 37.11 1xf2 s LYS 42 CO 0.00 -0.02 1.34 -1.12 -0.92 0.00 0.00 175.35 174.63 1xf2 s SER 43 N -2.51 5.82 0.76 2.83 0.01 -1.26 -4.63 113.70 114.73 1xf2 s SER 43 Ca 0.03 2.72 -0.15 0.00 1.31 0.00 0.00 55.95 59.86 1xf2 s SER 43 Cb 0.01 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.64 1xf2 s SER 43 CO -0.04 -1.19 1.14 -2.65 0.41 0.00 0.00 173.24 170.91 1xf2 n PRO 44 N -0.42 0.43 -4.75 12.44 -0.02 -1.26 -4.67 135.00 136.74 1xf2 n PRO 44 Ca 0.07 0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.51 1xf2 n PRO 44 Cb 0.44 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 1xf2 n PRO 44 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xf2 s GLN 45 N -3.75 1.74 0.13 -0.52 -1.52 0.54 -4.95 119.66 111.32 1xf2 s GLN 45 Ca 0.75 -0.55 -0.31 0.00 -1.95 0.00 0.00 55.36 53.30 1xf2 s GLN 45 Cb -0.32 -1.48 -0.08 0.00 -0.22 0.00 0.00 33.01 30.91 1xf2 s GLN 45 CO 0.49 0.18 1.32 -1.17 -0.25 0.00 0.00 175.29 175.86 1xf2 s LEU 46 N 0.20 4.39 -0.15 2.90 2.96 -1.26 -0.80 118.68 126.91 1xf2 s LEU 46 Ca -0.07 2.28 -0.03 0.00 -0.22 0.00 0.00 54.13 56.09 1xf2 s LEU 46 Cb -0.12 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1xf2 s LEU 46 CO 0.03 -0.57 -0.16 0.18 -1.32 0.00 0.00 176.35 174.51 1xf2 n LEU 47 N 3.53 1.98 -3.88 -0.68 4.77 -0.37 -4.77 117.00 117.58 1xf2 n LEU 47 Ca 0.09 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 1xf2 n LEU 47 Cb 0.43 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.91 1xf2 n LEU 47 CO 0.58 0.51 -0.38 -0.69 -1.33 0.00 0.00 177.39 176.08 1xf2 s VAL 48 N -2.28 0.22 0.29 4.08 1.01 -1.17 -0.82 120.40 121.73 1xf2 s VAL 48 Ca -0.20 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1xf2 s VAL 48 Cb 0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 36.14 1xf2 s VAL 48 CO 0.29 0.11 0.02 -0.72 0.00 0.00 0.00 175.10 174.80 1xf2 s TYR 49 N 0.43 1.85 -1.44 5.22 -0.85 -0.03 -0.83 117.35 121.70 1xf2 s TYR 49 Ca -0.04 -0.91 -0.05 0.00 -0.52 0.00 0.00 57.07 55.55 1xf2 s TYR 49 Cb -0.07 -1.15 0.02 0.00 0.38 0.00 0.00 41.96 41.15 1xf2 s TYR 49 CO -0.01 0.03 0.42 -1.71 -1.52 0.00 0.00 175.55 172.77 1xf2 n ASN 50 N -0.59 -5.12 0.00 -0.18 5.15 -1.19 -0.71 115.26 112.61 1xf2 n ASN 50 Ca -0.03 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1xf2 n ASN 50 Cb 0.65 -4.20 0.00 0.00 -0.53 0.00 0.00 39.78 35.70 1xf2 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xf2 n ALA 51 N -3.19 0.00 -0.47 5.20 0.00 0.11 -4.24 120.51 117.92 1xf2 n ALA 51 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xf2 n ALA 51 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1xf2 n ALA 51 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xf2 n LYS 52 N 0.00 0.09 -3.09 0.00 0.00 -1.17 -2.89 118.16 111.10 1xf2 n LYS 52 Ca 0.00 -0.01 -0.40 0.00 -0.00 0.00 0.00 58.31 57.90 1xf2 n LYS 52 Cb 0.00 -0.26 -0.06 0.00 -0.00 0.00 0.00 35.03 34.72 1xf2 n LYS 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1xf2 s THR 53 N -0.01 4.99 0.13 0.58 2.01 0.11 -4.59 115.64 118.85 1xf2 s THR 53 Ca 0.00 1.20 -0.31 0.00 0.31 0.00 0.00 61.69 62.89 1xf2 s THR 53 Cb 0.00 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 1xf2 s THR 53 CO 0.00 0.06 1.34 -0.76 -0.69 0.00 0.00 174.62 174.57 1xf2 s LEU 54 N 2.25 4.38 0.87 4.42 1.43 -1.26 -0.85 118.68 129.92 1xf2 s LEU 54 Ca 0.28 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 1xf2 s LEU 54 Cb -0.16 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.59 1xf2 s LEU 54 CO 0.09 -0.60 1.14 0.00 0.23 0.00 0.00 176.35 177.22 1xf2 s ALA 55 N 0.87 1.69 0.25 4.21 0.00 -0.00 -4.90 121.76 123.87 1xf2 s ALA 55 Ca 0.62 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 1xf2 s ALA 55 Cb -0.36 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 1xf2 s ALA 55 CO 0.32 -2.49 1.58 -0.85 0.00 0.00 0.00 175.76 174.32 1xf2 n GLU 56 N -3.95 2.52 -0.45 0.00 -0.00 -1.26 -2.25 120.64 115.24 1xf2 n GLU 56 Ca 0.11 0.90 0.00 0.00 -0.00 0.00 0.00 57.16 58.17 1xf2 n GLU 56 Cb 0.52 -2.66 0.00 0.00 -0.00 0.00 0.00 31.44 29.30 1xf2 n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xf2 n GLY 57 N 2.63 1.81 3.68 -1.84 0.00 -1.26 -5.00 105.19 105.21 1xf2 n GLY 57 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1xf2 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf2 s VAL 58 N -3.19 4.26 0.61 1.61 1.01 -0.95 -4.98 120.40 118.78 1xf2 s VAL 58 Ca 0.00 1.58 -0.18 0.00 0.00 0.00 0.00 61.98 63.37 1xf2 s VAL 58 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1xf2 s VAL 58 CO 0.00 -0.04 1.24 -2.84 0.00 0.00 0.00 175.10 173.47 1xf2 s PRO 59 N 2.53 2.81 0.00 2.72 0.02 -1.26 -4.88 135.00 136.93 1xf2 s PRO 59 Ca 0.55 1.92 0.17 0.00 0.02 0.00 0.00 61.00 63.66 1xf2 s PRO 59 Cb -0.24 -1.90 0.76 0.00 0.02 0.00 0.00 34.50 33.14 1xf2 s PRO 59 CO 0.20 -1.36 1.53 -1.13 -0.33 0.00 0.00 177.00 175.91 1xf2 n SER 60 N -1.72 0.00 0.31 2.53 3.41 -1.26 -2.63 113.62 114.25 1xf2 n SER 60 Ca 0.14 0.39 0.19 0.00 -0.26 0.00 0.00 58.87 59.34 1xf2 n SER 60 Cb 0.49 -0.45 0.94 0.00 -0.26 0.00 0.00 64.21 64.94 1xf2 n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1xf2 h ARG 61 N 0.00 0.00 -6.02 4.33 0.11 -1.89 -3.39 114.38 107.51 1xf2 h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1xf2 h ARG 61 Cb 0.26 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.28 1xf2 h ARG 61 CO 0.00 0.01 0.55 -0.06 0.10 0.00 0.00 179.97 180.58 1xf2 s PHE 62 N -3.96 3.40 -0.09 4.08 0.08 -1.08 -0.91 117.98 119.50 1xf2 s PHE 62 Ca -0.02 1.37 -0.00 0.00 0.12 0.00 0.00 56.93 58.39 1xf2 s PHE 62 Cb 0.11 -3.13 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 1xf2 s PHE 62 CO 0.49 -0.33 -0.05 -1.54 -0.10 0.00 0.00 175.22 173.69 1xf2 s SER 63 N 1.19 1.83 0.26 1.36 1.04 -0.63 -4.97 113.70 113.77 1xf2 s SER 63 Ca 0.41 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.60 1xf2 s SER 63 Cb -0.16 -0.66 -0.05 0.00 0.10 0.00 0.00 66.02 65.25 1xf2 s SER 63 CO 0.11 -0.13 0.51 -0.83 0.98 0.00 0.00 173.24 173.88 1xf2 s GLY 64 N 1.68 1.89 0.25 7.32 0.00 -1.26 -0.79 107.32 116.41 1xf2 s GLY 64 Ca 0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 44.72 44.01 1xf2 s GLY 64 CO -0.06 -0.50 0.51 -1.35 0.00 0.00 0.00 173.10 171.70 1xf2 s SER 65 N -3.08 -0.11 0.00 1.64 1.04 -0.44 -4.39 113.70 108.36 1xf2 s SER 65 Ca 0.43 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1xf2 s SER 65 Cb -0.11 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1xf2 s SER 65 CO 0.29 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1xf2 n GLY 66 N -0.40 2.59 3.56 7.32 0.00 -1.26 -1.79 105.19 115.21 1xf2 n GLY 66 Ca -0.02 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 1xf2 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf2 s SER 67 N 0.00 -0.59 0.59 1.61 0.01 -1.04 -4.85 113.70 109.43 1xf2 s SER 67 Ca 0.00 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1xf2 s SER 67 Cb 0.00 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1xf2 s SER 67 CO 0.00 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1xf2 n GLY 68 N 1.25 1.85 0.00 3.44 0.00 -0.69 -3.62 105.19 107.43 1xf2 n GLY 68 Ca -0.16 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.72 1xf2 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xf2 n THR 69 N 0.00 0.00 -4.61 2.61 -2.24 -1.26 -2.29 114.28 106.48 1xf2 n THR 69 Ca 0.00 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 1xf2 n THR 69 Cb 0.00 0.66 -0.16 0.00 -2.10 0.00 0.00 70.33 68.74 1xf2 n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xf2 s GLN 70 N -2.34 3.18 0.06 -0.78 -1.52 -1.24 -0.83 119.66 116.19 1xf2 s GLN 70 Ca 0.00 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 52.64 1xf2 s GLN 70 Cb 0.08 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 30.26 1xf2 s GLN 70 CO 0.44 0.03 -0.04 -0.06 -0.25 0.00 0.00 175.29 175.41 1xf2 s PHE 71 N 0.76 0.60 -0.14 0.91 0.40 -0.45 -2.49 117.98 117.56 1xf2 s PHE 71 Ca -0.07 -0.89 -0.12 0.00 -0.60 0.00 0.00 56.93 55.26 1xf2 s PHE 71 Cb -0.16 -0.39 0.04 0.00 0.51 0.00 0.00 43.02 43.02 1xf2 s PHE 71 CO 0.00 -0.26 0.37 -1.54 0.70 0.00 0.00 175.22 174.49 1xf2 s SER 72 N -2.59 -0.39 -0.30 1.36 1.04 -0.74 -0.97 113.70 111.11 1xf2 s SER 72 Ca 0.03 0.75 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 1xf2 s SER 72 Cb 0.03 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.90 1xf2 s SER 72 CO -0.06 -0.14 0.05 -0.22 0.98 0.00 0.00 173.24 173.85 1xf2 s LEU 73 N 0.41 3.82 -0.06 2.42 2.96 0.49 -1.33 118.68 127.40 1xf2 s LEU 73 Ca -0.02 -0.88 -0.15 0.00 -0.22 0.00 0.00 54.13 52.86 1xf2 s LEU 73 Cb -0.04 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1xf2 s LEU 73 CO -0.02 -0.21 0.40 -0.75 -1.32 0.00 0.00 176.35 174.45 1xf2 s LYS 74 N 1.42 4.06 -0.28 1.98 2.20 0.03 -1.20 119.74 127.95 1xf2 s LYS 74 Ca 0.01 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.98 1xf2 s LYS 74 Cb -0.18 -3.30 0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1xf2 s LYS 74 CO 0.01 0.50 -0.06 0.42 -0.36 0.00 0.00 175.35 175.85 1xf2 s ILE 75 N -0.43 2.55 -0.07 5.43 1.01 -0.58 -1.61 121.20 127.50 1xf2 s ILE 75 Ca 0.23 -1.52 -0.28 0.00 0.00 0.00 0.00 60.65 59.08 1xf2 s ILE 75 Cb -0.16 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 1xf2 s ILE 75 CO 0.11 -0.06 0.93 0.20 0.00 0.00 0.00 174.94 176.11 1xf2 s ASN 76 N 1.17 7.22 -0.77 3.58 0.01 -0.09 -2.24 114.94 123.82 1xf2 s ASN 76 Ca -0.07 1.48 -0.01 0.00 -0.71 0.00 0.00 52.86 53.55 1xf2 s ASN 76 Cb -0.20 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1xf2 s ASN 76 CO -0.03 -0.32 0.65 -0.24 -1.51 0.00 0.00 177.10 175.64 1xf2 n SER 77 N 4.45 -6.30 -3.75 -1.22 2.88 -1.14 -4.81 113.62 103.72 1xf2 n SER 77 Ca 0.06 -0.50 -0.48 0.00 -1.33 0.00 0.00 58.87 56.61 1xf2 n SER 77 Cb 0.50 -3.44 -0.06 0.00 -0.75 0.00 0.00 64.21 60.46 1xf2 n SER 77 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xf2 n LEU 78 N -2.13 -0.16 -4.72 2.46 4.77 0.12 -4.46 117.00 112.88 1xf2 n LEU 78 Ca -0.16 0.97 -0.23 0.00 -0.03 0.00 0.00 56.01 56.56 1xf2 n LEU 78 Cb 0.60 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1xf2 n LEU 78 CO 0.58 -1.72 -0.24 -1.10 -1.33 0.00 0.00 177.39 173.58 1xf2 s GLN 79 N -0.12 2.46 0.32 3.23 -1.52 -1.26 -0.67 119.66 122.10 1xf2 s GLN 79 Ca 0.73 -1.38 0.02 0.00 -1.95 0.00 0.00 55.36 52.77 1xf2 s GLN 79 Cb -1.02 -2.26 0.58 0.00 -0.22 0.00 0.00 33.01 30.09 1xf2 s GLN 79 CO 0.48 0.27 1.92 -1.35 -0.25 0.00 0.00 175.29 176.36 1xf2 h PRO 80 N 1.66 0.94 0.00 2.91 0.11 -1.99 -1.38 132.00 134.25 1xf2 h PRO 80 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xf2 h PRO 80 Cb 1.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xf2 h PRO 80 CO 0.61 0.62 0.00 -0.85 -0.21 0.00 0.00 178.00 178.17 1xf2 n GLU 81 N -4.48 0.10 0.06 1.05 0.00 -1.26 -2.99 120.64 113.11 1xf2 n GLU 81 Ca 0.13 0.24 0.12 0.00 0.00 0.00 0.00 57.16 57.65 1xf2 n GLU 81 Cb 0.20 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.34 1xf2 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xf2 n ASP 82 N -1.36 0.70 -4.72 -1.84 8.00 -0.52 -4.85 116.55 111.97 1xf2 n ASP 82 Ca 0.04 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 1xf2 n ASP 82 Cb 0.09 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1xf2 n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xf2 s PHE 83 N -3.15 3.51 -5.00 1.24 0.08 -1.16 -4.82 117.98 108.68 1xf2 s PHE 83 Ca 0.07 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.56 1xf2 s PHE 83 Cb 0.13 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 1xf2 s PHE 83 CO 0.70 -0.89 0.00 0.41 -0.10 0.00 0.00 175.22 175.34 1xf2 n GLY 84 N 2.95 -0.44 3.76 4.36 0.00 -0.89 -4.89 105.19 110.03 1xf2 n GLY 84 Ca 0.07 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1xf2 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf2 s SER 85 N -4.00 5.39 -0.01 1.61 0.01 -0.26 -0.45 113.70 115.99 1xf2 s SER 85 Ca 0.00 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.20 1xf2 s SER 85 Cb 0.00 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.83 1xf2 s SER 85 CO 0.00 0.14 -0.12 -0.31 0.41 0.00 0.00 173.24 173.36 1xf2 s TYR 86 N -1.50 1.06 -0.03 2.43 1.51 -0.28 -0.14 117.35 120.40 1xf2 s TYR 86 Ca 0.29 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.17 1xf2 s TYR 86 Cb -0.11 -0.68 0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1xf2 s TYR 86 CO 0.22 -0.02 -0.09 0.71 -1.11 0.00 0.00 175.55 175.26 1xf2 s TYR 87 N -0.31 1.02 0.56 2.71 1.51 -0.13 -1.17 117.35 121.54 1xf2 s TYR 87 Ca 0.04 -0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1xf2 s TYR 87 Cb -0.05 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 1xf2 s TYR 87 CO -0.00 -0.12 0.88 0.00 -1.11 0.00 0.00 175.55 175.19 1xf2 s GLN 89 N -4.93 0.67 0.20 0.00 0.74 0.26 -1.74 119.66 114.85 1xf2 s GLN 89 Ca 0.52 1.15 -0.32 0.00 0.05 0.00 0.00 55.36 56.76 1xf2 s GLN 89 Cb -0.11 0.14 -0.12 0.00 1.10 0.00 0.00 33.01 34.03 1xf2 s GLN 89 CO 0.46 -0.14 1.70 -1.58 -0.55 0.00 0.00 175.29 175.18 1xf2 s HIS 90 N 1.58 2.90 0.00 1.67 5.65 -0.71 -0.30 115.29 126.08 1xf2 s HIS 90 Ca -0.10 0.37 0.00 0.00 0.25 0.00 0.00 55.06 55.59 1xf2 s HIS 90 Cb -0.05 -4.11 0.00 0.00 -1.18 0.00 0.00 32.58 27.25 1xf2 s HIS 90 CO -0.19 -4.19 0.00 -2.39 -0.65 0.00 0.00 174.74 167.32 1xf2 n HIS 91 N 4.06 -0.20 0.00 3.88 1.44 -0.60 -4.10 115.22 119.70 1xf2 n HIS 91 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 1xf2 n HIS 91 Cb 0.36 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.47 1xf2 n HIS 91 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1xf2 n TYR 92 N -0.07 0.00 -4.39 -1.40 9.36 -1.26 -4.84 117.16 114.57 1xf2 n TYR 92 Ca 0.00 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.02 1xf2 n TYR 92 Cb 0.00 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.61 1xf2 n TYR 92 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1xf2 s GLY 93 N 0.00 1.60 0.11 2.98 0.00 -1.26 -5.10 107.32 105.64 1xf2 s GLY 93 Ca 0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 42.83 1xf2 s GLY 93 CO 0.00 -1.81 0.50 -0.51 0.00 0.00 0.00 173.10 171.27 1xf2 s THR 94 N -2.90 4.93 0.38 0.90 -4.23 -1.26 -3.49 115.64 109.97 1xf2 s THR 94 Ca 0.25 0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 61.29 1xf2 s THR 94 Cb -0.01 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 1xf2 s THR 94 CO 0.09 0.32 0.95 -2.16 -0.54 0.00 0.00 174.62 173.28 1xf2 s PRO 95 N -1.79 4.39 -1.44 3.99 0.04 -1.26 -5.05 135.00 133.89 1xf2 s PRO 95 Ca 0.34 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.53 1xf2 s PRO 95 Cb -0.15 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1xf2 s PRO 95 CO 0.18 0.11 2.50 1.28 0.04 0.00 0.00 177.00 181.11 1xf2 n LEU 96 N -0.06 7.98 -4.76 -3.56 7.99 -1.23 -4.82 117.00 118.55 1xf2 n LEU 96 Ca 0.05 -4.59 -0.40 0.00 -0.01 0.00 0.00 56.01 51.05 1xf2 n LEU 96 Cb 0.52 -1.48 -0.04 0.00 -0.11 0.00 0.00 43.42 42.31 1xf2 n LEU 96 CO 0.41 1.86 0.82 -0.89 -1.51 0.00 0.00 177.39 178.08 1xf2 s THR 97 N 0.73 3.45 0.16 -5.08 2.01 -1.26 -4.60 115.64 111.05 1xf2 s THR 97 Ca 0.57 1.41 -0.16 0.00 0.31 0.00 0.00 61.69 63.82 1xf2 s THR 97 Cb 0.17 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1xf2 s THR 97 CO -0.07 0.32 0.59 -0.36 -0.69 0.00 0.00 174.62 174.41 1xf2 s PHE 98 N -0.95 3.63 0.89 4.92 0.08 -1.26 -1.74 117.98 123.54 1xf2 s PHE 98 Ca 0.46 1.14 -0.12 0.00 0.12 0.00 0.00 56.93 58.54 1xf2 s PHE 98 Cb -0.33 -2.43 0.13 0.00 -0.57 0.00 0.00 43.02 39.82 1xf2 s PHE 98 CO 0.41 0.42 1.09 0.20 -0.10 0.00 0.00 175.22 177.24 1xf2 s GLY 99 N -1.67 1.61 0.22 4.36 0.00 -0.71 -4.65 107.32 106.47 1xf2 s GLY 99 Ca 0.38 -0.11 0.24 0.00 0.00 0.00 0.00 44.72 45.23 1xf2 s GLY 99 CO 0.19 0.38 1.74 0.00 0.00 0.00 0.00 173.10 175.41 1xf2 n ALA 100 N -3.86 1.94 0.00 3.20 0.00 -1.26 -4.70 120.51 115.84 1xf2 n ALA 100 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xf2 n ALA 100 Cb 0.56 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1xf2 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf2 n GLY 101 N 0.60 1.99 2.68 0.00 0.00 -1.26 -5.05 105.19 104.15 1xf2 n GLY 101 Ca 0.04 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1xf2 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf2 s THR 102 N -2.52 -0.04 -0.35 2.61 2.01 -0.32 -4.45 115.64 112.59 1xf2 s THR 102 Ca 0.00 0.30 -0.21 0.00 0.31 0.00 0.00 61.69 62.09 1xf2 s THR 102 Cb 0.00 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1xf2 s THR 102 CO 0.00 0.13 0.68 -0.75 -0.69 0.00 0.00 174.62 173.99 1xf2 s LYS 103 N 2.14 3.73 -0.25 4.92 2.20 -0.76 -1.13 119.74 130.59 1xf2 s LYS 103 Ca 0.05 0.16 -0.07 0.00 -0.36 0.00 0.00 55.97 55.74 1xf2 s LYS 103 Cb -0.13 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 1xf2 s LYS 103 CO -0.04 -0.75 0.07 -1.17 -0.36 0.00 0.00 175.35 173.11 1xf2 s LEU 104 N 2.81 3.47 0.21 5.43 2.96 0.41 -1.78 118.68 132.18 1xf2 s LEU 104 Ca 0.26 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1xf2 s LEU 104 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1xf2 s LEU 104 CO 0.15 -0.03 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.37 1xf2 s GLU 105 N 1.60 1.40 0.31 1.98 2.02 -0.47 -2.10 118.70 123.44 1xf2 s GLU 105 Ca 0.06 -1.60 -0.22 0.00 0.02 0.00 0.00 54.97 53.24 1xf2 s GLU 105 Cb -0.15 -1.32 -0.09 0.00 0.10 0.00 0.00 34.13 32.66 1xf2 s GLU 105 CO 0.04 0.24 0.86 -0.51 0.02 0.00 0.00 175.26 175.90 1xf2 s LEU 106 N -3.23 4.24 0.19 1.80 1.43 -1.26 -1.29 118.68 120.56 1xf2 s LEU 106 Ca 0.23 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 1xf2 s LEU 106 Cb -0.03 -3.99 -0.07 0.00 0.03 0.00 0.00 46.19 42.13 1xf2 s LEU 106 CO 0.09 -0.11 0.54 -0.54 0.23 0.00 0.00 176.35 176.56 1xf2 s LYS 107 N -2.34 3.86 0.33 1.70 1.02 -0.48 -4.76 119.74 119.07 1xf2 s LYS 107 Ca 0.51 0.35 -0.10 0.00 0.02 0.00 0.00 55.97 56.75 1xf2 s LYS 107 Cb -0.15 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1xf2 s LYS 107 CO 0.20 0.39 0.60 2.89 -0.92 0.00 0.00 175.35 178.52 1xf2 n ARG 108 N 0.28 0.87 -2.85 1.68 1.85 -1.26 -4.88 116.66 112.34 1xf2 n ARG 108 Ca -0.02 -2.03 -0.34 0.00 -1.00 0.00 0.00 57.85 54.46 1xf2 n ARG 108 Cb 0.52 2.35 -0.07 0.00 -1.05 0.00 0.00 32.46 34.21 1xf2 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xf2 s ALA 109 N -2.10 3.10 0.32 2.89 0.00 -1.26 -4.99 121.76 119.72 1xf2 s ALA 109 Ca 0.17 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.22 1xf2 s ALA 109 Cb -0.03 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 19.85 1xf2 s ALA 109 CO 0.12 0.16 1.25 -0.25 0.00 0.00 0.00 175.76 177.05 1xf2 n ASP 110 N -0.39 2.50 -3.80 0.00 8.00 -1.26 -4.78 116.55 116.82 1xf2 n ASP 110 Ca 0.06 1.20 -0.13 0.00 0.71 0.00 0.00 54.79 56.62 1xf2 n ASP 110 Cb 0.53 -1.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.05 1xf2 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xf2 s ALA 111 N -0.96 -0.13 0.48 2.24 0.00 -0.29 -4.90 121.76 118.20 1xf2 s ALA 111 Ca 0.57 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.69 1xf2 s ALA 111 Cb -0.60 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.19 1xf2 s ALA 111 CO 0.60 -0.09 1.04 0.00 0.00 0.00 0.00 175.76 177.31 1xf2 s ALA 112 N 0.63 2.90 0.50 0.00 0.00 -1.26 -1.40 121.76 123.13 1xf2 s ALA 112 Ca -0.05 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.33 1xf2 s ALA 112 Cb -0.07 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 1xf2 s ALA 112 CO -0.02 -0.30 1.05 -1.25 0.00 0.00 0.00 175.76 175.23 1xf2 s PRO 113 N -3.16 3.71 -0.34 0.00 0.04 -1.26 -4.51 135.00 129.48 1xf2 s PRO 113 Ca 0.66 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 1xf2 s PRO 113 Cb -0.17 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1xf2 s PRO 113 CO 0.21 -0.51 0.46 0.99 0.04 0.00 0.00 177.00 178.18 1xf2 s THR 114 N -2.04 5.08 -0.14 1.26 2.01 -0.25 -4.83 115.64 116.74 1xf2 s THR 114 Ca 0.67 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.92 1xf2 s THR 114 Cb -0.17 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1xf2 s THR 114 CO 0.23 -0.14 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.33 1xf2 s VAL 115 N 2.25 4.23 -0.02 3.82 1.01 -1.26 -0.73 120.40 129.70 1xf2 s VAL 115 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1xf2 s VAL 115 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1xf2 s VAL 115 CO 0.12 0.52 -0.05 -0.44 0.00 0.00 0.00 175.10 175.26 1xf2 s SER 116 N -0.07 0.74 0.04 3.32 0.01 -0.50 -4.98 113.70 112.26 1xf2 s SER 116 Ca 0.03 -0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.25 1xf2 s SER 116 Cb -0.13 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1xf2 s SER 116 CO 0.02 0.03 -0.16 -0.51 0.41 0.00 0.00 173.24 173.03 1xf2 s ILE 117 N 0.19 2.97 -0.07 1.44 2.07 -1.26 -0.84 121.20 125.70 1xf2 s ILE 117 Ca -0.02 -1.12 -0.00 0.00 -1.41 0.00 0.00 60.65 58.09 1xf2 s ILE 117 Cb -0.06 -2.27 0.02 0.00 0.13 0.00 0.00 42.46 40.28 1xf2 s ILE 117 CO -0.00 0.33 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.96 1xf2 s PHE 118 N -0.96 0.93 0.87 3.50 0.40 0.48 -5.00 117.98 118.21 1xf2 s PHE 118 Ca 0.15 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 1xf2 s PHE 118 Cb -0.11 -0.87 0.12 0.00 0.51 0.00 0.00 43.02 42.68 1xf2 s PHE 118 CO 0.06 -0.32 1.12 -2.14 0.70 0.00 0.00 175.22 174.64 1xf2 s PRO 119 N 1.44 1.39 0.26 0.24 0.02 -1.26 -1.91 135.00 135.17 1xf2 s PRO 119 Ca -0.02 1.31 -0.31 0.00 0.02 0.00 0.00 61.00 62.01 1xf2 s PRO 119 Cb -0.13 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 1xf2 s PRO 119 CO -0.03 -2.30 1.38 -2.30 -0.33 0.00 0.00 177.00 173.42 1xf2 n PRO 120 N -3.98 2.03 -1.74 5.54 -0.02 -1.21 -4.81 135.00 130.81 1xf2 n PRO 120 Ca 0.10 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.92 1xf2 n PRO 120 Cb 0.53 -2.36 0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1xf2 n PRO 120 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xf2 n SER 121 N 1.91 2.58 0.26 2.55 3.41 -1.26 -4.90 113.62 118.17 1xf2 n SER 121 Ca 0.10 0.95 0.10 0.00 -0.26 0.00 0.00 58.87 59.76 1xf2 n SER 121 Cb 0.32 -1.57 0.70 0.00 -0.26 0.00 0.00 64.21 63.39 1xf2 n SER 121 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xf2 h SER 122 N 1.28 0.00 -0.45 4.04 4.64 -2.00 -2.35 113.55 118.72 1xf2 h SER 122 Ca -0.51 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 1xf2 h SER 122 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1xf2 h SER 122 CO 0.56 0.03 0.23 -0.33 -0.87 0.00 0.00 176.83 176.46 1xf2 h GLU 123 N 0.00 0.63 -0.26 4.77 3.07 -1.99 -3.03 114.58 117.76 1xf2 h GLU 123 Ca -0.00 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.63 1xf2 h GLU 123 Cb 0.06 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1xf2 h GLU 123 CO 0.00 0.52 -0.42 0.37 -1.40 0.00 0.00 179.01 178.08 1xf2 h GLN 124 N 0.59 0.65 -0.83 2.33 4.15 -1.74 -2.78 115.11 117.46 1xf2 h GLN 124 Ca 0.16 -0.34 0.09 0.00 0.77 0.00 0.00 58.65 59.33 1xf2 h GLN 124 Cb 0.08 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 1xf2 h GLN 124 CO -0.02 0.95 0.54 -0.07 -1.93 0.00 0.00 178.83 178.30 1xf2 h LEU 125 N 0.53 0.73 -1.79 -2.39 3.38 -1.38 -0.84 115.31 113.54 1xf2 h LEU 125 Ca 0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xf2 h LEU 125 Cb 0.95 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1xf2 h LEU 125 CO 0.09 0.44 -0.08 0.71 0.09 0.00 0.00 178.44 179.69 1xf2 h THR 126 N 0.81 0.27 -0.00 0.22 1.35 -1.38 -1.20 112.91 112.98 1xf2 h THR 126 Ca 0.38 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1xf2 h THR 126 Cb 0.40 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1xf2 h THR 126 CO -0.15 0.08 -0.11 -1.54 -0.25 0.00 0.00 175.52 173.54 1xf2 n SER 127 N -3.31 0.21 0.00 5.36 3.41 -0.33 -4.95 113.62 114.01 1xf2 n SER 127 Ca -0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1xf2 n SER 127 Cb 0.27 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1xf2 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf2 n GLY 128 N 1.40 0.14 3.87 5.00 0.00 -0.45 -5.08 105.19 110.06 1xf2 n GLY 128 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1xf2 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xf2 s GLY 129 N -1.89 2.13 -0.29 -0.02 0.00 -1.21 -1.12 107.32 104.92 1xf2 s GLY 129 Ca 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 44.72 42.85 1xf2 s GLY 129 CO 0.00 -1.70 0.39 0.00 0.00 0.00 0.00 173.10 171.79 1xf2 s ALA 130 N -2.47 -1.12 -0.20 3.20 0.00 0.80 -3.33 121.76 118.63 1xf2 s ALA 130 Ca 0.47 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 1xf2 s ALA 130 Cb -0.03 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1xf2 s ALA 130 CO 0.28 -1.72 0.07 -1.12 0.00 0.00 0.00 175.76 173.26 1xf2 s SER 131 N 2.52 5.54 -0.23 0.00 0.01 -1.26 -0.68 113.70 119.61 1xf2 s SER 131 Ca 0.10 0.02 -0.10 0.00 1.31 0.00 0.00 55.95 57.27 1xf2 s SER 131 Cb -0.13 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 1xf2 s SER 131 CO -0.30 0.12 0.15 -0.69 0.41 0.00 0.00 173.24 172.93 1xf2 s VAL 132 N 0.68 5.37 -0.03 3.43 1.01 0.67 -3.35 120.40 128.18 1xf2 s VAL 132 Ca 0.04 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1xf2 s VAL 132 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1xf2 s VAL 132 CO 0.02 0.38 -0.07 -0.69 0.00 0.00 0.00 175.10 174.73 1xf2 s VAL 133 N 0.82 3.66 -0.08 2.92 1.01 -0.80 -0.52 120.40 127.41 1xf2 s VAL 133 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1xf2 s VAL 133 Cb -0.13 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1xf2 s VAL 133 CO 0.02 0.49 -0.06 0.00 0.00 0.00 0.00 175.10 175.56 1xf2 s PHE 135 N 1.42 3.33 -0.42 0.00 0.08 -0.02 -0.46 117.98 121.90 1xf2 s PHE 135 Ca -0.02 0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.26 1xf2 s PHE 135 Cb -0.13 -2.05 0.11 0.00 -0.57 0.00 0.00 43.02 40.38 1xf2 s PHE 135 CO -0.04 0.29 0.16 -0.51 -0.10 0.00 0.00 175.22 175.03 1xf2 s LEU 136 N 0.06 4.75 -0.10 -0.37 1.02 0.75 -1.41 118.68 123.38 1xf2 s LEU 136 Ca 0.07 -2.43 -0.02 0.00 0.02 0.00 0.00 54.13 51.76 1xf2 s LEU 136 Cb -0.12 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 1xf2 s LEU 136 CO 0.00 -0.36 -0.01 0.20 0.02 0.00 0.00 176.35 176.20 1xf2 s ASN 137 N 0.68 5.12 -0.97 2.29 0.02 0.09 -0.78 114.94 121.40 1xf2 s ASN 137 Ca 0.13 0.09 -0.05 0.00 -1.02 0.00 0.00 52.86 52.01 1xf2 s ASN 137 Cb -0.22 -1.49 -0.06 0.00 0.02 0.00 0.00 41.25 39.51 1xf2 s ASN 137 CO -0.05 0.34 0.84 0.59 0.02 0.00 0.00 177.10 178.85 1xf2 n ASN 138 N 2.38 -5.87 -4.55 -1.22 4.13 -0.70 -1.09 115.26 108.34 1xf2 n ASN 138 Ca -0.18 -0.64 -0.26 0.00 1.68 0.00 0.00 54.58 55.18 1xf2 n ASN 138 Cb 0.53 -4.78 -0.10 0.00 -1.54 0.00 0.00 39.78 33.89 1xf2 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1xf2 s PHE 139 N -3.35 2.41 -0.14 3.10 -0.71 0.08 -4.55 117.98 114.83 1xf2 s PHE 139 Ca 0.38 -0.51 -0.19 0.00 -1.04 0.00 0.00 56.93 55.57 1xf2 s PHE 139 Cb -0.05 -1.41 0.05 0.00 -1.21 0.00 0.00 43.02 40.40 1xf2 s PHE 139 CO 0.67 0.58 0.50 -0.47 -1.34 0.00 0.00 175.22 175.15 1xf2 s TYR 140 N -2.61 -0.51 0.80 3.49 5.04 -0.49 -0.88 117.35 122.18 1xf2 s TYR 140 Ca 0.33 1.14 -0.13 0.00 -2.44 0.00 0.00 57.07 55.96 1xf2 s TYR 140 Cb 0.03 0.20 0.19 0.00 0.35 0.00 0.00 41.96 42.73 1xf2 s TYR 140 CO 0.17 -0.34 0.85 -0.35 -1.34 0.00 0.00 175.55 174.54 1xf2 n PRO 141 N 2.28 -1.85 0.05 4.97 -0.04 -1.26 -1.13 135.00 138.02 1xf2 n PRO 141 Ca -0.16 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1xf2 n PRO 141 Cb 0.56 -1.08 0.31 0.00 -0.04 0.00 0.00 33.50 33.25 1xf2 n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xf2 h LYS 142 N 0.00 0.40 -6.37 0.54 3.64 -1.98 -3.43 116.57 109.36 1xf2 h LYS 142 Ca -0.30 -0.10 -0.54 0.00 -1.27 0.00 0.00 60.65 58.45 1xf2 h LYS 142 Cb 0.87 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1xf2 h LYS 142 CO 0.20 0.52 1.11 -0.51 -2.27 0.00 0.00 179.45 178.50 1xf2 s ASP 143 N -6.81 6.55 -0.02 4.20 1.11 -1.26 -4.96 116.67 115.48 1xf2 s ASP 143 Ca -0.06 2.50 -0.20 0.00 0.18 0.00 0.00 52.55 54.96 1xf2 s ASP 143 Cb 0.15 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.63 1xf2 s ASP 143 CO 0.76 -0.96 0.43 -0.51 1.18 0.00 0.00 175.17 176.07 1xf2 s ILE 144 N 3.62 0.04 0.07 0.77 2.07 -1.26 -4.72 121.20 121.79 1xf2 s ILE 144 Ca 0.79 -0.32 0.08 0.00 -1.41 0.00 0.00 60.65 59.79 1xf2 s ILE 144 Cb -0.39 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.41 1xf2 s ILE 144 CO 0.35 -0.18 -0.23 0.20 -1.91 0.00 0.00 174.94 173.17 1xf2 s ASN 145 N -1.32 2.75 -0.04 4.50 0.01 -0.43 -5.02 114.94 115.40 1xf2 s ASN 145 Ca -0.12 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.44 1xf2 s ASN 145 Cb -0.03 -0.21 0.02 0.00 0.41 0.00 0.00 41.25 41.43 1xf2 s ASN 145 CO 0.06 0.17 -0.05 0.54 -1.51 0.00 0.00 177.10 176.30 1xf2 s VAL 146 N -0.90 0.59 -0.01 1.60 0.11 -1.26 -0.40 120.40 120.13 1xf2 s VAL 146 Ca 0.09 -0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.05 1xf2 s VAL 146 Cb -0.09 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1xf2 s VAL 146 CO 0.03 0.23 -0.25 -0.75 -3.33 0.00 0.00 175.10 171.03 1xf2 s LYS 147 N 0.79 2.00 -0.04 1.54 2.20 -0.43 -4.97 119.74 120.83 1xf2 s LYS 147 Ca -0.11 -0.93 0.01 0.00 -0.36 0.00 0.00 55.97 54.58 1xf2 s LYS 147 Cb -0.14 -1.97 -0.03 0.00 -1.51 0.00 0.00 37.83 34.18 1xf2 s LYS 147 CO 0.01 0.54 -0.02 -1.58 -0.36 0.00 0.00 175.35 173.93 1xf2 s TRP 148 N -0.62 3.04 -0.06 4.03 0.52 -1.26 -1.00 118.94 123.59 1xf2 s TRP 148 Ca 0.10 0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.33 1xf2 s TRP 148 Cb -0.10 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 1xf2 s TRP 148 CO -0.01 0.42 -0.15 0.15 0.02 0.00 0.00 176.95 177.39 1xf2 s LYS 149 N -1.20 1.88 -0.18 4.98 1.02 -0.48 -1.21 119.74 124.54 1xf2 s LYS 149 Ca 0.16 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.62 1xf2 s LYS 149 Cb -0.11 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.66 1xf2 s LYS 149 CO 0.06 0.12 -0.18 0.42 -0.92 0.00 0.00 175.35 174.85 1xf2 s ILE 150 N 0.41 2.28 -1.43 2.17 1.01 -0.27 -1.00 121.20 124.37 1xf2 s ILE 150 Ca -0.11 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 1xf2 s ILE 150 Cb -0.14 -1.97 0.10 0.00 0.01 0.00 0.00 42.46 40.46 1xf2 s ILE 150 CO 0.04 0.52 0.64 0.47 0.00 0.00 0.00 174.94 176.61 1xf2 n ASP 151 N 4.54 -3.73 0.00 3.58 8.00 -0.18 -2.29 116.55 126.47 1xf2 n ASP 151 Ca -0.20 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1xf2 n ASP 151 Cb 0.50 -3.06 0.00 0.00 -0.02 0.00 0.00 41.12 38.54 1xf2 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xf2 n GLY 152 N -1.30 0.79 3.30 0.44 0.00 -1.26 -5.03 105.19 102.13 1xf2 n GLY 152 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1xf2 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf2 s SER 153 N -2.89 3.37 0.42 1.61 0.01 -0.97 -5.08 113.70 110.18 1xf2 s SER 153 Ca 0.00 -0.45 -0.26 0.00 1.31 0.00 0.00 55.95 56.54 1xf2 s SER 153 Cb 0.00 -1.14 -0.09 0.00 0.21 0.00 0.00 66.02 65.00 1xf2 s SER 153 CO 0.00 0.22 1.45 1.21 0.41 0.00 0.00 173.24 176.53 1xf2 n GLU 154 N 3.13 2.41 -3.93 12.44 2.13 -1.26 -1.12 120.64 134.45 1xf2 n GLU 154 Ca -0.18 0.85 -0.24 0.00 0.66 0.00 0.00 57.16 58.26 1xf2 n GLU 154 Cb 0.52 -2.65 -0.17 0.00 0.27 0.00 0.00 31.44 29.42 1xf2 n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1xf2 s ARG 155 N -2.32 1.00 -0.10 5.31 6.06 -0.35 -4.86 118.95 123.69 1xf2 s ARG 155 Ca 0.58 -0.07 0.11 0.00 -2.50 0.00 0.00 55.73 53.85 1xf2 s ARG 155 Cb -0.46 -1.17 -0.16 0.00 0.06 0.00 0.00 34.95 33.22 1xf2 s ARG 155 CO 0.60 -0.23 0.10 1.04 -2.50 0.00 0.00 175.30 174.31 1xf2 n GLN 156 N 4.82 1.60 -2.49 5.12 6.02 -1.26 -4.15 117.38 127.03 1xf2 n GLN 156 Ca -0.13 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.41 1xf2 n GLN 156 Cb 0.50 -1.31 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 1xf2 n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xf2 s ASN 157 N -4.26 7.18 0.00 1.08 -0.87 -1.26 -3.23 114.94 113.58 1xf2 s ASN 157 Ca -0.06 1.99 0.00 0.00 -1.57 0.00 0.00 52.86 53.22 1xf2 s ASN 157 Cb 0.05 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1xf2 s ASN 157 CO 0.51 -0.36 0.00 0.61 -2.57 0.00 0.00 177.10 175.29 1xf2 n GLY 158 N 2.79 0.59 3.71 0.66 0.00 -1.26 -4.80 105.19 106.88 1xf2 n GLY 158 Ca 0.06 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1xf2 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf2 s VAL 159 N -2.00 5.30 -0.05 1.61 1.01 -1.20 -0.34 120.40 124.74 1xf2 s VAL 159 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.54 1xf2 s VAL 159 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1xf2 s VAL 159 CO 0.00 0.37 -0.09 -0.76 0.00 0.00 0.00 175.10 174.62 1xf2 s LEU 160 N 0.63 1.59 0.17 3.92 1.43 -0.57 -4.98 118.68 120.86 1xf2 s LEU 160 Ca 0.16 -0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.15 1xf2 s LEU 160 Cb -0.13 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1xf2 s LEU 160 CO 0.04 0.02 -0.23 0.20 0.23 0.00 0.00 176.35 176.60 1xf2 s ASN 161 N 0.61 3.20 -0.16 2.29 0.02 -1.26 -0.96 114.94 118.67 1xf2 s ASN 161 Ca -0.11 -0.82 -0.10 0.00 -1.02 0.00 0.00 52.86 50.81 1xf2 s ASN 161 Cb -0.14 -0.22 0.05 0.00 0.02 0.00 0.00 41.25 40.97 1xf2 s ASN 161 CO 0.02 0.10 0.40 -0.55 0.02 0.00 0.00 177.10 177.09 1xf2 s SER 162 N -2.47 -0.48 -0.10 -1.22 0.15 -0.65 -5.00 113.70 103.93 1xf2 s SER 162 Ca 0.17 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1xf2 s SER 162 Cb -0.08 0.77 -0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1xf2 s SER 162 CO 0.08 -0.18 -0.09 0.26 1.20 0.00 0.00 173.24 174.51 1xf2 s TRP 163 N 1.11 2.88 0.70 3.44 0.51 -1.26 -1.01 118.94 125.32 1xf2 s TRP 163 Ca -0.07 -0.23 -0.11 0.00 -2.12 0.00 0.00 56.10 53.56 1xf2 s TRP 163 Cb -0.07 -1.78 0.01 0.00 -0.81 0.00 0.00 33.47 30.82 1xf2 s TRP 163 CO -0.09 0.10 1.06 0.95 -0.51 0.00 0.00 176.95 178.46 1xf2 s THR 164 N -0.29 3.93 0.94 2.01 -4.23 -0.73 -5.01 115.64 112.27 1xf2 s THR 164 Ca 0.03 0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 61.05 1xf2 s THR 164 Cb -0.13 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.43 1xf2 s THR 164 CO 0.03 -0.82 1.10 -1.81 -0.54 0.00 0.00 174.62 172.57 1xf2 s ASP 165 N -3.94 3.10 0.18 3.99 1.01 -1.26 -4.60 116.67 115.15 1xf2 s ASP 165 Ca 0.58 1.29 -0.32 0.00 0.71 0.00 0.00 52.55 54.81 1xf2 s ASP 165 Cb -0.13 -1.96 -0.12 0.00 1.01 0.00 0.00 42.92 41.71 1xf2 s ASP 165 CO 0.54 -2.85 1.70 1.67 0.21 0.00 0.00 175.17 176.45 1xf2 n GLN 166 N -4.00 2.61 -1.94 8.23 7.27 -1.26 -4.74 117.38 123.56 1xf2 n GLN 166 Ca 0.06 0.94 -0.42 0.00 0.07 0.00 0.00 57.00 57.65 1xf2 n GLN 166 Cb 0.57 -2.78 -0.03 0.00 2.41 0.00 0.00 30.24 30.41 1xf2 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1xf2 s ASP 167 N 1.35 6.62 0.41 1.69 2.15 0.97 -4.90 116.67 124.96 1xf2 s ASP 167 Ca 0.77 2.40 0.23 0.00 0.43 0.00 0.00 52.55 56.38 1xf2 s ASP 167 Cb -0.55 -2.55 0.66 0.00 -0.30 0.00 0.00 42.92 40.18 1xf2 s ASP 167 CO 0.35 -0.92 1.71 0.77 -0.17 0.00 0.00 175.17 176.91 1xf2 h SER 168 N 9.06 0.00 -0.22 -0.34 4.64 -1.91 0.29 113.55 125.06 1xf2 h SER 168 Ca -0.42 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.76 1xf2 h SER 168 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1xf2 h SER 168 CO 0.94 0.22 -0.43 0.11 -0.87 0.00 0.00 176.83 176.81 1xf2 h LYS 169 N 0.00 0.68 0.00 4.77 1.57 -1.97 -3.39 116.57 118.23 1xf2 h LYS 169 Ca -0.00 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1xf2 h LYS 169 Cb 0.92 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1xf2 h LYS 169 CO 0.03 1.06 0.00 -0.40 -0.57 0.00 0.00 179.45 179.56 1xf2 n ASP 170 N -4.19 0.89 -1.36 0.86 5.68 -1.23 -5.01 116.55 112.17 1xf2 n ASP 170 Ca -0.05 -1.41 -0.18 0.00 -0.50 0.00 0.00 54.79 52.65 1xf2 n ASP 170 Cb 0.55 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.46 1xf2 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1xf2 n SER 171 N -0.20 -5.33 -4.87 -1.12 7.64 0.09 -4.99 113.62 104.83 1xf2 n SER 171 Ca 0.00 0.44 -0.21 0.00 1.01 0.00 0.00 58.87 60.11 1xf2 n SER 171 Cb 0.34 -4.40 0.07 0.00 -1.01 0.00 0.00 64.21 59.21 1xf2 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xf2 s THR 172 N -2.60 2.37 0.25 0.44 -4.23 -1.25 -4.73 115.64 105.89 1xf2 s THR 172 Ca 0.00 -0.75 0.12 0.00 -1.18 0.00 0.00 61.69 59.88 1xf2 s THR 172 Cb 0.00 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 1xf2 s THR 172 CO 0.00 0.00 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.56 1xf2 s TYR 173 N -2.85 2.30 0.19 3.99 2.02 -0.06 -0.02 117.35 122.92 1xf2 s TYR 173 Ca 0.62 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1xf2 s TYR 173 Cb -0.07 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.40 1xf2 s TYR 173 CO 0.40 0.64 0.03 -1.12 -1.57 0.00 0.00 175.55 173.94 1xf2 s SER 174 N -3.23 1.06 -0.06 2.29 0.01 -1.26 -0.74 113.70 111.77 1xf2 s SER 174 Ca 0.27 -1.23 -0.13 0.00 1.31 0.00 0.00 55.95 56.17 1xf2 s SER 174 Cb -0.06 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.36 1xf2 s SER 174 CO 0.13 -0.63 0.31 -0.32 0.41 0.00 0.00 173.24 173.14 1xf2 s MET 175 N -3.97 0.55 -0.07 12.44 1.75 0.04 -1.77 119.30 128.27 1xf2 s MET 175 Ca 0.27 0.06 0.03 0.00 -1.25 0.00 0.00 55.69 54.81 1xf2 s MET 175 Cb 0.07 0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.97 1xf2 s MET 175 CO 0.06 -0.13 -0.16 0.45 -0.65 0.00 0.00 175.02 174.59 1xf2 s SER 176 N -0.74 3.82 -0.10 1.11 0.15 -0.18 -0.18 113.70 117.58 1xf2 s SER 176 Ca -0.08 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.28 1xf2 s SER 176 Cb -0.04 -1.06 0.02 0.00 -1.71 0.00 0.00 66.02 63.23 1xf2 s SER 176 CO 0.03 0.27 -0.12 -0.55 1.20 0.00 0.00 173.24 174.07 1xf2 s SER 177 N -0.30 2.22 -0.15 5.45 0.15 0.39 -1.63 113.70 119.82 1xf2 s SER 177 Ca 0.02 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.32 1xf2 s SER 177 Cb -0.13 -0.95 0.01 0.00 -1.71 0.00 0.00 66.02 63.24 1xf2 s SER 177 CO 0.03 -0.04 -0.19 -0.89 1.20 0.00 0.00 173.24 173.35 1xf2 s THR 178 N 1.22 2.28 -0.35 6.45 2.01 -0.13 -0.40 115.64 126.71 1xf2 s THR 178 Ca -0.03 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 1xf2 s THR 178 Cb -0.14 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 1xf2 s THR 178 CO -0.04 0.53 0.23 -0.22 -0.69 0.00 0.00 174.62 174.44 1xf2 s LEU 179 N 0.91 4.58 -0.24 4.42 2.96 0.32 -1.51 118.68 130.12 1xf2 s LEU 179 Ca -0.04 -0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 1xf2 s LEU 179 Cb -0.15 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1xf2 s LEU 179 CO -0.03 -0.28 0.07 -0.89 -1.32 0.00 0.00 176.35 173.90 1xf2 s THR 180 N 1.68 4.41 0.33 3.68 2.01 0.54 -0.24 115.64 128.06 1xf2 s THR 180 Ca 0.05 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 61.96 1xf2 s THR 180 Cb -0.18 -3.06 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 1xf2 s THR 180 CO 0.09 0.35 0.03 -0.76 -0.69 0.00 0.00 174.62 173.64 1xf2 s LEU 181 N 1.45 2.34 0.70 4.42 1.43 0.15 -4.66 118.68 124.52 1xf2 s LEU 181 Ca 0.06 -1.34 -0.13 0.00 -1.03 0.00 0.00 54.13 51.69 1xf2 s LEU 181 Cb -0.15 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.59 1xf2 s LEU 181 CO 0.04 -0.53 1.09 0.42 0.23 0.00 0.00 176.35 177.59 1xf2 s THR 182 N -3.16 3.49 0.18 5.49 -4.23 -1.26 -0.14 115.64 116.00 1xf2 s THR 182 Ca 0.35 0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 61.30 1xf2 s THR 182 Cb 0.08 -3.11 0.08 0.00 1.34 0.00 0.00 72.50 70.89 1xf2 s THR 182 CO 0.15 -0.55 1.75 0.50 -0.54 0.00 0.00 174.62 175.93 1xf2 h LYS 183 N -0.52 0.34 -0.47 3.99 3.64 -1.33 -1.53 116.57 120.70 1xf2 h LYS 183 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xf2 h LYS 183 Cb 1.23 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1xf2 h LYS 183 CO 0.54 0.22 0.29 -0.44 -2.27 0.00 0.00 179.45 177.80 1xf2 h ASP 184 N 0.35 0.55 -0.48 4.20 3.32 -1.93 -0.03 116.42 122.40 1xf2 h ASP 184 Ca 0.23 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1xf2 h ASP 184 Cb 0.24 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1xf2 h ASP 184 CO -0.23 0.42 0.19 -0.08 -1.72 0.00 0.00 179.24 177.82 1xf2 h GLU 185 N 0.63 0.72 -0.72 3.56 4.81 -1.91 -2.40 114.58 119.27 1xf2 h GLU 185 Ca 0.17 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1xf2 h GLU 185 Cb -0.04 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.16 1xf2 h GLU 185 CO -0.03 0.65 0.39 -0.92 -0.73 0.00 0.00 179.01 178.37 1xf2 h TYR 186 N 0.63 0.71 0.00 0.92 3.20 -0.78 -2.61 116.97 119.04 1xf2 h TYR 186 Ca 0.16 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1xf2 h TYR 186 Cb 0.20 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 1xf2 h TYR 186 CO 0.00 0.31 -0.07 0.93 -1.64 0.00 0.00 178.16 177.69 1xf2 h GLU 187 N 0.69 0.00 -0.00 1.82 4.39 -0.64 -2.95 114.58 117.89 1xf2 h GLU 187 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1xf2 h GLU 187 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1xf2 h GLU 187 CO -0.22 0.07 -0.03 0.54 -1.16 0.00 0.00 179.01 178.21 1xf2 n ARG 188 N -3.17 0.16 -4.38 2.33 1.74 -0.94 -4.87 116.66 107.54 1xf2 n ARG 188 Ca 0.01 -0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1xf2 n ARG 188 Cb 0.39 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.23 1xf2 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1xf2 s HIS 189 N -2.84 1.86 -0.14 -1.55 3.76 -1.11 -5.08 115.29 110.18 1xf2 s HIS 189 Ca 0.19 -0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 54.55 1xf2 s HIS 189 Cb 0.19 -0.85 -0.07 0.00 1.11 0.00 0.00 32.58 32.96 1xf2 s HIS 189 CO 0.51 0.45 -0.16 -1.71 -0.85 0.00 0.00 174.74 172.98 1xf2 n ASN 190 N -0.45 1.85 -4.61 1.40 5.15 -1.26 -4.76 115.26 112.58 1xf2 n ASN 190 Ca -0.07 0.07 -0.37 0.00 -0.60 0.00 0.00 54.58 53.61 1xf2 n ASN 190 Cb 0.60 -0.33 -0.10 0.00 -0.53 0.00 0.00 39.78 39.42 1xf2 n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1xf2 s SER 191 N -5.87 5.92 -0.16 1.20 0.15 -1.26 -0.40 113.70 113.28 1xf2 s SER 191 Ca -0.19 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1xf2 s SER 191 Cb 0.06 -2.07 0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1xf2 s SER 191 CO 0.28 0.03 -0.14 -0.31 1.20 0.00 0.00 173.24 174.30 1xf2 s TYR 192 N 1.26 2.24 -0.03 3.44 2.02 -0.43 -1.01 117.35 124.85 1xf2 s TYR 192 Ca 0.07 -1.31 0.05 0.00 -0.37 0.00 0.00 57.07 55.50 1xf2 s TYR 192 Cb -0.14 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 1xf2 s TYR 192 CO 0.06 -0.69 -0.17 0.99 -1.57 0.00 0.00 175.55 174.17 1xf2 s THR 193 N 1.46 1.38 -0.14 -0.71 2.01 -0.17 -1.91 115.64 117.57 1xf2 s THR 193 Ca 0.04 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1xf2 s THR 193 Cb -0.13 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.21 1xf2 s THR 193 CO -0.10 0.40 -0.20 0.00 -0.69 0.00 0.00 174.62 174.02 1xf2 s GLU 195 N 0.76 2.51 -0.24 0.00 2.02 -0.17 -1.45 118.70 122.12 1xf2 s GLU 195 Ca -0.08 -0.79 -0.13 0.00 0.02 0.00 0.00 54.97 53.99 1xf2 s GLU 195 Cb -0.16 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 1xf2 s GLU 195 CO -0.00 -0.29 0.28 0.00 0.02 0.00 0.00 175.26 175.27 1xf2 s ALA 196 N 1.36 3.57 -0.24 5.21 0.00 -0.04 -1.31 121.76 130.32 1xf2 s ALA 196 Ca 0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1xf2 s ALA 196 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1xf2 s ALA 196 CO -0.11 -0.40 0.10 0.99 0.00 0.00 0.00 175.76 176.34 1xf2 s THR 197 N 1.50 4.70 0.00 0.00 2.01 0.46 -0.84 115.64 123.47 1xf2 s THR 197 Ca 0.12 -0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 1xf2 s THR 197 Cb -0.15 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.19 1xf2 s THR 197 CO 0.08 0.35 0.27 -2.28 -0.69 0.00 0.00 174.62 172.35 1xf2 s HIS 198 N 1.31 -0.11 -0.68 4.92 5.04 -1.26 -1.31 115.29 123.19 1xf2 s HIS 198 Ca 0.06 0.10 0.12 0.00 -1.54 0.00 0.00 55.06 53.80 1xf2 s HIS 198 Cb -0.15 0.06 0.59 0.00 0.04 0.00 0.00 32.58 33.12 1xf2 s HIS 198 CO 0.05 -0.39 1.37 0.36 -2.34 0.00 0.00 174.74 173.78 1xf2 n LYS 199 N 1.14 0.07 0.14 2.88 2.85 -1.26 -2.07 118.16 121.90 1xf2 n LYS 199 Ca -0.21 0.50 0.12 0.00 -1.05 0.00 0.00 58.31 57.67 1xf2 n LYS 199 Cb 0.57 -1.69 0.49 0.00 -0.65 0.00 0.00 35.03 33.74 1xf2 n LYS 199 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1xf2 h THR 200 N 0.00 0.00 -3.78 0.58 1.35 -1.92 -3.43 112.91 105.71 1xf2 h THR 200 Ca 0.00 -0.30 -0.08 0.00 -0.55 0.00 0.00 66.41 65.47 1xf2 h THR 200 Cb 0.08 1.11 -0.14 0.00 -1.73 0.00 0.00 68.15 67.47 1xf2 h THR 200 CO 0.00 0.00 -0.35 -0.94 -0.25 0.00 0.00 175.52 173.98 1xf2 s SER 201 N -4.42 0.10 0.17 5.36 1.04 -0.88 -4.99 113.70 110.09 1xf2 s SER 201 Ca 0.05 -0.63 0.09 0.00 0.48 0.00 0.00 55.95 55.94 1xf2 s SER 201 Cb 0.10 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1xf2 s SER 201 CO 0.44 -0.74 1.38 0.74 0.98 0.00 0.00 173.24 176.04 1xf2 h THR 202 N 2.72 1.59 -3.31 2.02 2.02 -1.85 -3.40 112.91 112.70 1xf2 h THR 202 Ca -0.34 -3.02 -0.56 0.00 0.77 0.00 0.00 66.41 63.26 1xf2 h THR 202 Cb 1.20 2.64 -0.05 0.00 -1.74 0.00 0.00 68.15 70.21 1xf2 h THR 202 CO 0.56 0.85 0.39 -0.44 0.37 0.00 0.00 175.52 177.25 1xf2 s SER 203 N -6.72 7.10 0.32 4.18 0.01 -1.26 -4.99 113.70 112.34 1xf2 s SER 203 Ca 0.01 1.34 -0.29 0.00 1.31 0.00 0.00 55.95 58.32 1xf2 s SER 203 Cb 0.10 -2.49 -0.12 0.00 0.21 0.00 0.00 66.02 63.73 1xf2 s SER 203 CO 0.80 -0.35 1.51 -2.65 0.41 0.00 0.00 173.24 172.96 1xf2 n PRO 204 N 4.77 2.56 -2.48 12.44 -0.02 -1.26 -4.87 135.00 146.13 1xf2 n PRO 204 Ca 0.05 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 1xf2 n PRO 204 Cb 0.49 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 1xf2 n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xf2 s ILE 205 N -0.49 4.30 -0.16 4.25 -1.09 -0.02 -4.85 121.20 123.14 1xf2 s ILE 205 Ca 0.60 1.53 -0.04 0.00 -2.23 0.00 0.00 60.65 60.51 1xf2 s ILE 205 Cb -0.51 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.18 1xf2 s ILE 205 CO 0.55 -0.33 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.20 1xf2 s VAL 206 N 3.85 3.83 -0.08 2.92 1.01 -1.26 -0.86 120.40 129.81 1xf2 s VAL 206 Ca 0.53 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1xf2 s VAL 206 Cb -0.17 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1xf2 s VAL 206 CO 0.17 0.49 -0.16 -0.75 0.00 0.00 0.00 175.10 174.85 1xf2 s LYS 207 N 0.46 2.19 0.14 2.72 2.47 -0.53 -5.01 119.74 122.18 1xf2 s LYS 207 Ca -0.04 -0.58 0.04 0.00 -1.56 0.00 0.00 55.97 53.83 1xf2 s LYS 207 Cb -0.14 -1.75 -0.04 0.00 -1.46 0.00 0.00 37.83 34.43 1xf2 s LYS 207 CO 0.03 0.06 -0.09 -1.12 0.16 0.00 0.00 175.35 174.39 1xf2 s SER 208 N 0.62 1.61 0.04 1.43 0.01 -1.26 -0.91 113.70 115.24 1xf2 s SER 208 Ca -0.15 -1.02 -0.03 0.00 1.31 0.00 0.00 55.95 56.06 1xf2 s SER 208 Cb -0.16 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 1xf2 s SER 208 CO 0.04 -0.38 0.02 0.72 0.41 0.00 0.00 173.24 174.06 1xf2 s PHE 209 N -3.41 0.35 -0.16 2.43 -0.12 -0.80 -5.01 117.98 111.25 1xf2 s PHE 209 Ca 0.16 -0.75 -0.06 0.00 -0.05 0.00 0.00 56.93 56.23 1xf2 s PHE 209 Cb 0.03 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 1xf2 s PHE 209 CO -0.00 -0.34 0.04 -0.80 -0.05 0.00 0.00 175.22 174.06 1xf2 s ASN 210 N -2.36 5.46 0.18 1.98 0.01 -1.26 -1.31 114.94 117.64 1xf2 s ASN 210 Ca -0.02 0.08 -0.13 0.00 -0.71 0.00 0.00 52.86 52.08 1xf2 s ASN 210 Cb 0.01 -1.86 0.12 0.00 0.41 0.00 0.00 41.25 39.93 1xf2 s ASN 210 CO -0.06 0.22 1.81 -0.09 -1.51 0.00 0.00 177.10 177.47 1xf2 h ARG 211 N 6.35 0.61 -3.52 -0.60 2.43 -1.02 -3.26 114.38 115.36 1xf2 h ARG 211 Ca -0.39 -0.04 -0.77 0.00 -0.81 0.00 0.00 59.98 57.98 1xf2 h ARG 211 Cb 1.18 -0.14 -0.30 0.00 -0.42 0.00 0.00 29.97 30.29 1xf2 h ARG 211 CO 0.66 0.40 0.22 0.54 -1.51 0.00 0.00 179.97 180.28 1xf2 s ASN 212 N -5.59 6.79 0.00 -3.80 6.03 -1.26 -5.14 114.94 111.97 1xf2 s ASN 212 Ca -0.13 -3.51 0.00 0.00 -1.03 0.00 0.00 52.86 48.19 1xf2 s ASN 212 Cb 0.13 -2.11 0.00 0.00 -3.03 0.00 0.00 41.25 36.25 1xf2 s ASN 212 CO 0.74 -0.29 0.00 1.21 -2.03 0.00 0.00 177.10 176.73