#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 4.33 -0.10 0.00 0.20 -1.26 -5.02 118.68 116.83 1xf2 s LEU 2 Ca 0.00 2.26 0.01 0.00 0.69 0.00 0.00 54.13 57.09 1xf2 s LEU 2 Cb 0.00 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.19 1xf2 s LEU 2 CO 0.00 -0.83 -0.14 0.00 -0.29 0.00 0.00 176.35 175.09 1xf2 s GLN 3 N 2.97 3.09 -0.14 1.98 0.00 -1.26 -4.82 119.66 121.48 1xf2 s GLN 3 Ca 0.70 -0.70 -0.04 0.00 -0.00 0.00 0.00 55.36 55.32 1xf2 s GLN 3 Cb -0.34 -2.54 -0.03 0.00 0.00 0.00 0.00 33.01 30.10 1xf2 s GLN 3 CO 0.29 0.34 -0.01 -1.64 0.00 0.00 0.00 175.29 174.28 1xf2 s MET 4 N 0.00 3.58 -0.16 9.60 1.00 -1.26 -1.24 119.30 130.83 1xf2 s MET 4 Ca -0.04 -0.45 0.01 0.00 0.00 0.00 0.00 55.69 55.21 1xf2 s MET 4 Cb -0.14 -2.95 0.02 0.00 0.00 0.00 0.00 34.83 31.75 1xf2 s MET 4 CO 0.04 0.36 -0.19 0.99 0.00 0.00 0.00 175.02 176.22 1xf2 s THR 5 N 0.07 1.94 0.11 2.05 2.01 0.49 -4.24 115.64 118.07 1xf2 s THR 5 Ca 0.02 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.17 1xf2 s THR 5 Cb -0.13 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1xf2 s THR 5 CO 0.02 0.52 0.12 -1.10 -0.69 0.00 0.00 174.62 173.49 1xf2 s GLN 6 N 1.18 2.98 -0.05 4.92 -0.21 -1.26 0.22 119.66 127.44 1xf2 s GLN 6 Ca 0.01 -0.71 -0.08 0.00 0.02 0.00 0.00 55.36 54.61 1xf2 s GLN 6 Cb -0.14 -2.75 0.01 0.00 1.00 0.00 0.00 33.01 31.13 1xf2 s GLN 6 CO -0.09 0.55 0.19 -1.12 -2.12 0.00 0.00 175.29 172.70 1xf2 s SER 7 N -2.65 -0.15 0.88 5.90 0.01 -0.09 -4.49 113.70 113.11 1xf2 s SER 7 Ca 0.31 0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.65 1xf2 s SER 7 Cb -0.12 0.35 0.14 0.00 0.21 0.00 0.00 66.02 66.60 1xf2 s SER 7 CO 0.23 -0.17 1.25 -2.16 0.41 0.00 0.00 173.24 172.80 1xf2 s PRO 8 N -0.38 1.32 0.14 12.44 0.04 -1.26 -0.68 135.00 146.61 1xf2 s PRO 8 Ca -0.05 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 60.69 1xf2 s PRO 8 Cb -0.03 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1xf2 s PRO 8 CO 0.01 -2.00 1.75 0.00 0.04 0.00 0.00 177.00 176.80 1xf2 h ALA 9 N -1.35 0.52 -2.88 8.56 0.00 -1.81 -3.40 119.26 118.92 1xf2 h ALA 9 Ca -0.45 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 1xf2 h ALA 9 Cb 1.28 -0.16 -0.20 0.00 0.00 0.00 0.00 17.79 18.71 1xf2 h ALA 9 CO 0.52 0.05 -0.70 -1.54 0.00 0.00 0.00 179.25 177.59 1xf2 s SER 10 N -5.71 0.33 -0.11 0.00 1.04 -1.26 -0.91 113.70 107.08 1xf2 s SER 10 Ca -0.13 -0.58 -0.09 0.00 0.48 0.00 0.00 55.95 55.63 1xf2 s SER 10 Cb 0.10 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.37 1xf2 s SER 10 CO 0.74 -0.34 0.29 -0.22 0.98 0.00 0.00 173.24 174.69 1xf2 s LEU 11 N -1.70 0.72 -0.06 2.42 2.96 -0.77 -4.95 118.68 117.30 1xf2 s LEU 11 Ca -0.12 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1xf2 s LEU 11 Cb -0.07 0.96 -0.03 0.00 0.50 0.00 0.00 46.19 47.54 1xf2 s LEU 11 CO -0.02 -0.12 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.39 1xf2 s SER 12 N 0.50 4.73 0.15 3.68 0.01 -1.26 -0.88 113.70 120.63 1xf2 s SER 12 Ca -0.03 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.00 1xf2 s SER 12 Cb -0.04 -1.20 0.07 0.00 0.21 0.00 0.00 66.02 65.05 1xf2 s SER 12 CO -0.03 0.35 0.58 0.00 0.41 0.00 0.00 173.24 174.55 1xf2 s ALA 13 N -0.85 -1.52 0.11 1.44 0.00 -0.29 -4.82 121.76 115.83 1xf2 s ALA 13 Ca 0.13 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1xf2 s ALA 13 Cb -0.11 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1xf2 s ALA 13 CO 0.02 -0.75 0.24 -1.12 0.00 0.00 0.00 175.76 174.16 1xf2 s SER 14 N -2.73 6.32 0.19 0.00 0.01 -1.26 -0.71 113.70 115.52 1xf2 s SER 14 Ca 0.01 0.20 -0.33 0.00 1.31 0.00 0.00 55.95 57.15 1xf2 s SER 14 Cb -0.01 -1.91 -0.13 0.00 0.21 0.00 0.00 66.02 64.18 1xf2 s SER 14 CO -0.12 0.11 1.56 0.52 0.41 0.00 0.00 173.24 175.71 1xf2 n VAL 15 N -0.16 0.28 0.00 3.43 0.31 -1.26 -1.89 118.33 119.04 1xf2 n VAL 15 Ca -0.06 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1xf2 n VAL 15 Cb 0.53 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 3.13 2.31 3.89 2.92 0.00 0.62 -4.91 105.19 113.16 1xf2 n GLY 16 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.67 3.32 -0.13 1.61 2.12 -0.79 -4.33 118.70 119.83 1xf2 s GLU 17 Ca 0.00 0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.81 1xf2 s GLU 17 Cb 0.00 -2.15 -0.01 0.00 0.26 0.00 0.00 34.13 32.23 1xf2 s GLU 17 CO 0.00 -0.63 -0.15 0.99 -0.54 0.00 0.00 175.26 174.93 1xf2 s THR 18 N -3.11 2.83 0.19 -1.70 2.01 -1.26 -0.38 115.64 114.21 1xf2 s THR 18 Ca 0.54 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.87 1xf2 s THR 18 Cb -0.11 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1xf2 s THR 18 CO 0.51 0.53 -0.14 0.68 -0.69 0.00 0.00 174.62 175.51 1xf2 s VAL 19 N 0.39 1.64 -0.07 3.82 -7.23 -0.96 -4.98 120.40 113.00 1xf2 s VAL 19 Ca -0.12 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 57.89 1xf2 s VAL 19 Cb -0.16 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1xf2 s VAL 19 CO 0.06 -0.61 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.25 1xf2 s THR 20 N -2.99 1.03 0.13 5.32 2.01 -1.26 -1.57 115.64 118.31 1xf2 s THR 20 Ca 0.21 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 61.92 1xf2 s THR 20 Cb -0.00 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1xf2 s THR 20 CO 0.06 0.34 -0.17 0.27 -0.69 0.00 0.00 174.62 174.43 1xf2 s ILE 21 N 0.93 2.88 0.28 1.82 -4.36 -0.22 -4.85 121.20 117.69 1xf2 s ILE 21 Ca -0.10 -1.56 0.11 0.00 -0.26 0.00 0.00 60.65 58.84 1xf2 s ILE 21 Cb -0.15 -2.35 -0.05 0.00 1.25 0.00 0.00 42.46 41.16 1xf2 s ILE 21 CO 0.01 0.05 -0.19 0.42 0.24 0.00 0.00 174.94 175.47 1xf2 s THR 22 N -1.28 2.37 -0.05 8.37 -4.23 0.14 -0.60 115.64 120.36 1xf2 s THR 22 Ca 0.19 -2.37 -0.02 0.00 -1.18 0.00 0.00 61.69 58.31 1xf2 s THR 22 Cb -0.10 -2.29 0.04 0.00 1.34 0.00 0.00 72.50 71.48 1xf2 s THR 22 CO 0.11 -0.41 0.11 0.00 -0.54 0.00 0.00 174.62 173.89 1xf2 s ARG 24 N 1.25 2.96 -0.11 0.00 3.00 0.13 -0.84 118.95 125.34 1xf2 s ARG 24 Ca -0.08 -0.78 -0.09 0.00 -1.00 0.00 0.00 55.73 53.78 1xf2 s ARG 24 Cb -0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 34.95 32.38 1xf2 s ARG 24 CO -0.05 0.32 0.19 0.00 0.00 0.00 0.00 175.30 175.76 1xf2 s ALA 25 N 0.03 3.82 0.09 6.12 0.00 -0.12 -0.37 121.76 131.34 1xf2 s ALA 25 Ca -0.07 -0.56 0.32 0.00 0.00 0.00 0.00 51.96 51.65 1xf2 s ALA 25 Cb -0.15 -2.07 1.28 0.00 0.00 0.00 0.00 23.12 22.18 1xf2 s ALA 25 CO 0.05 0.54 1.95 0.66 0.00 0.00 0.00 175.76 178.97 1xf2 h SER 26 N 5.11 0.00 -5.27 0.00 4.64 -1.50 -3.44 113.55 113.09 1xf2 h SER 26 Ca -0.53 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.67 1xf2 h SER 26 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 1xf2 h SER 26 CO 0.61 0.03 -0.47 -1.83 -0.87 0.00 0.00 176.83 174.30 1xf2 s GLU 27 N -3.66 0.94 0.09 4.77 -1.05 -1.26 -4.99 118.70 113.54 1xf2 s GLU 27 Ca 0.01 -1.19 -0.33 0.00 -0.15 0.00 0.00 54.97 53.31 1xf2 s GLU 27 Cb 0.09 0.31 -0.12 0.00 -0.44 0.00 0.00 34.13 33.97 1xf2 s GLU 27 CO 0.56 -0.30 1.75 -1.71 0.95 0.00 0.00 175.26 176.51 1xf2 n ASN 28 N -0.10 3.56 -0.03 0.83 5.15 -1.26 -4.77 115.26 118.63 1xf2 n ASN 28 Ca -0.10 1.02 0.04 0.00 -0.60 0.00 0.00 54.58 54.94 1xf2 n ASN 28 Cb 0.63 -1.46 0.06 0.00 -0.53 0.00 0.00 39.78 38.47 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 4.30 1.32 0.00 -1.44 -5.35 -0.60 -5.03 119.36 112.57 1xf2 n ILE 29 Ca 0.19 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 1xf2 n ILE 29 Cb 0.32 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 -0.86 0.00 -0.84 4.28 4.02 -1.24 -1.47 117.16 121.05 1xf2 n TYR 30 Ca 0.06 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.03 1xf2 n TYR 30 Cb 0.41 0.00 0.30 0.00 -0.02 0.00 0.00 39.34 40.03 1xf2 n TYR 30 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1xf2 n SER 31 N 4.61 4.38 -4.17 7.72 7.64 -1.26 -0.96 113.62 131.57 1xf2 n SER 31 Ca 0.00 -2.81 -0.43 0.00 1.01 0.00 0.00 58.87 56.64 1xf2 n SER 31 Cb 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1xf2 n SER 31 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xf2 n TYR 32 N 0.11 4.11 -3.87 1.43 4.01 -0.55 -2.04 117.16 120.37 1xf2 n TYR 32 Ca 0.23 -2.92 -0.15 0.00 -0.16 0.00 0.00 57.90 54.89 1xf2 n TYR 32 Cb 0.92 -2.55 -0.16 0.00 -0.31 0.00 0.00 39.34 37.24 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 3.02 1.31 0.18 7.72 2.96 -1.26 -1.37 118.68 131.24 1xf2 s LEU 33 Ca 0.50 0.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.50 1xf2 s LEU 33 Cb 0.08 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.61 1xf2 s LEU 33 CO -0.00 -0.09 -0.10 0.00 -1.32 0.00 0.00 176.35 174.84 1xf2 s ALA 34 N 0.81 2.93 -0.03 5.97 0.00 0.41 -0.57 121.76 131.28 1xf2 s ALA 34 Ca -0.07 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.47 1xf2 s ALA 34 Cb -0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1xf2 s ALA 34 CO -0.02 0.47 -0.22 -1.58 0.00 0.00 0.00 175.76 174.40 1xf2 s TRP 35 N -1.70 2.08 0.07 0.00 0.52 -0.26 -0.99 118.94 118.67 1xf2 s TRP 35 Ca 0.25 -0.49 0.09 0.00 0.02 0.00 0.00 56.10 55.96 1xf2 s TRP 35 Cb -0.09 -1.36 -0.03 0.00 -1.15 0.00 0.00 33.47 30.84 1xf2 s TRP 35 CO 0.15 -0.11 -0.24 0.71 0.02 0.00 0.00 176.95 177.48 1xf2 s TYR 36 N -0.34 2.11 -0.08 -1.98 1.51 0.47 -0.76 117.35 118.29 1xf2 s TYR 36 Ca 0.03 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1xf2 s TYR 36 Cb -0.11 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1xf2 s TYR 36 CO 0.01 0.18 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.46 1xf2 s GLN 37 N -1.53 2.86 -0.08 -0.62 0.74 0.63 -1.12 119.66 120.55 1xf2 s GLN 37 Ca 0.10 -0.48 -0.01 0.00 0.05 0.00 0.00 55.36 55.02 1xf2 s GLN 37 Cb -0.10 -2.69 0.03 0.00 1.10 0.00 0.00 33.01 31.35 1xf2 s GLN 37 CO 0.03 0.68 -0.00 -1.14 -0.55 0.00 0.00 175.29 174.32 1xf2 s GLN 38 N -0.85 0.64 0.28 1.67 0.74 -0.07 -0.52 119.66 121.56 1xf2 s GLN 38 Ca 0.13 0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.58 1xf2 s GLN 38 Cb -0.11 -1.02 -0.05 0.00 1.10 0.00 0.00 33.01 32.93 1xf2 s GLN 38 CO 0.02 -0.31 0.55 0.15 -0.55 0.00 0.00 175.29 175.15 1xf2 s LYS 39 N 1.96 3.63 0.32 1.67 -0.14 -1.26 -1.09 119.74 124.83 1xf2 s LYS 39 Ca 0.05 -0.01 -0.29 0.00 -1.36 0.00 0.00 55.97 54.36 1xf2 s LYS 39 Cb -0.12 -2.65 -0.10 0.00 -1.68 0.00 0.00 37.83 33.27 1xf2 s LYS 39 CO -0.05 0.22 1.27 -1.14 -0.76 0.00 0.00 175.35 174.88 1xf2 s GLN 40 N -3.54 4.40 0.00 1.68 2.00 -1.26 -1.86 119.66 121.07 1xf2 s GLN 40 Ca 0.44 2.13 0.00 0.00 -2.00 0.00 0.00 55.36 55.93 1xf2 s GLN 40 Cb -0.11 -3.08 0.00 0.00 0.80 0.00 0.00 33.01 30.62 1xf2 s GLN 40 CO 0.30 -0.12 0.00 0.41 -0.50 0.00 0.00 175.29 175.38 1xf2 n GLY 41 N 0.86 1.19 3.59 2.59 0.00 -1.26 -5.01 105.19 107.15 1xf2 n GLY 41 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.15 2.00 0.50 1.61 1.02 -0.78 -5.12 119.74 118.82 1xf2 s LYS 42 Ca 0.00 -1.70 -0.21 0.00 0.02 0.00 0.00 55.97 54.08 1xf2 s LYS 42 Cb 0.00 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.32 1xf2 s LYS 42 CO 0.00 0.23 1.10 -1.12 -0.92 0.00 0.00 175.35 174.64 1xf2 s SER 43 N -3.65 6.10 0.81 2.83 0.01 -1.26 -4.61 113.70 113.94 1xf2 s SER 43 Ca 0.33 2.10 -0.14 0.00 1.31 0.00 0.00 55.95 59.55 1xf2 s SER 43 Cb -0.02 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.68 1xf2 s SER 43 CO 0.18 -0.95 0.93 -2.65 0.41 0.00 0.00 173.24 171.16 1xf2 n PRO 44 N -0.93 0.14 -4.34 12.44 -0.02 -1.26 -4.64 135.00 136.39 1xf2 n PRO 44 Ca 0.09 0.11 -0.19 0.00 -2.02 0.00 0.00 63.50 61.50 1xf2 n PRO 44 Cb 0.51 -2.22 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 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 -3.73 0.79 0.06 -0.52 1.11 0.32 -4.97 119.66 112.73 1xf2 s GLN 45 Ca 0.69 -0.53 -0.30 0.00 0.01 0.00 0.00 55.36 55.23 1xf2 s GLN 45 Cb -0.29 -0.76 -0.05 0.00 -1.01 0.00 0.00 33.01 30.90 1xf2 s GLN 45 CO 0.55 0.20 1.01 -1.17 0.01 0.00 0.00 175.29 175.88 1xf2 s LEU 46 N -0.70 4.43 -0.13 2.90 2.96 -1.26 -0.27 118.68 126.61 1xf2 s LEU 46 Ca 0.01 1.78 -0.00 0.00 -0.22 0.00 0.00 54.13 55.70 1xf2 s LEU 46 Cb -0.06 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 1xf2 s LEU 46 CO 0.00 -0.21 -0.13 0.18 -1.32 0.00 0.00 176.35 174.88 1xf2 n LEU 47 N 3.36 2.65 -3.81 -0.68 4.77 0.06 -4.73 117.00 118.61 1xf2 n LEU 47 Ca 0.05 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1xf2 n LEU 47 Cb 0.49 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 1xf2 n LEU 47 CO 0.52 0.65 -0.15 -0.69 -1.33 0.00 0.00 177.39 176.39 1xf2 s VAL 48 N -2.26 0.01 0.15 4.08 1.01 -1.08 -1.19 120.40 121.11 1xf2 s VAL 48 Ca -0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1xf2 s VAL 48 Cb 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1xf2 s VAL 48 CO 0.30 -0.03 0.06 -0.72 0.00 0.00 0.00 175.10 174.70 1xf2 s TYR 49 N -0.02 0.99 -1.31 5.22 -0.85 0.12 -1.10 117.35 120.39 1xf2 s TYR 49 Ca -0.01 -1.21 -0.03 0.00 -0.52 0.00 0.00 57.07 55.30 1xf2 s TYR 49 Cb -0.02 -0.55 0.02 0.00 0.38 0.00 0.00 41.96 41.79 1xf2 s TYR 49 CO 0.00 -0.47 0.25 0.09 -1.52 0.00 0.00 175.55 173.91 1xf2 n ASN 50 N -0.15 -4.55 0.00 -0.18 3.02 -1.13 -1.13 115.26 111.13 1xf2 n ASN 50 Ca -0.05 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1xf2 n ASN 50 Cb 0.64 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 1xf2 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xf2 n ALA 51 N -2.80 0.00 -0.55 5.41 0.00 0.26 -4.18 120.51 118.66 1xf2 n ALA 51 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xf2 n ALA 51 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.44 -3.43 0.00 2.85 -1.20 -3.12 118.16 112.82 1xf2 n LYS 52 Ca 0.00 -0.22 -0.39 0.00 -1.05 0.00 0.00 58.31 56.65 1xf2 n LYS 52 Cb 0.00 -0.72 -0.09 0.00 -0.65 0.00 0.00 35.03 33.56 1xf2 n LYS 52 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xf2 s THR 53 N -0.00 5.20 0.29 0.58 2.01 -0.28 -4.56 115.64 118.87 1xf2 s THR 53 Ca 0.00 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 1xf2 s THR 53 Cb 0.00 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 1xf2 s THR 53 CO 0.00 0.16 1.15 -0.76 -0.69 0.00 0.00 174.62 174.48 1xf2 s LEU 54 N 2.00 4.52 0.79 4.42 1.43 -1.26 0.13 118.68 130.71 1xf2 s LEU 54 Ca 0.13 2.35 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 1xf2 s LEU 54 Cb -0.16 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.49 1xf2 s LEU 54 CO 0.10 -0.23 1.09 0.00 0.23 0.00 0.00 176.35 177.55 1xf2 s ALA 55 N -1.11 2.32 0.23 4.21 0.00 -0.33 -4.88 121.76 122.21 1xf2 s ALA 55 Ca 0.46 -0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.91 1xf2 s ALA 55 Cb -0.34 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1xf2 s ALA 55 CO 0.43 -1.66 1.42 0.39 0.00 0.00 0.00 175.76 176.34 1xf2 n GLU 56 N -3.39 2.04 -0.91 0.00 -0.58 -1.26 -2.32 120.64 114.22 1xf2 n GLU 56 Ca 0.07 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 1xf2 n GLU 56 Cb 0.56 -2.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.04 1xf2 n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xf2 n GLY 57 N 2.25 0.82 3.70 0.62 0.00 -1.26 -5.00 105.19 106.31 1xf2 n GLY 57 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.44 4.83 0.69 1.61 1.01 -0.98 -5.02 120.40 119.10 1xf2 s VAL 58 Ca 0.00 2.05 -0.16 0.00 0.00 0.00 0.00 61.98 63.87 1xf2 s VAL 58 Cb 0.00 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1xf2 s VAL 58 CO 0.00 0.09 1.21 -2.84 0.00 0.00 0.00 175.10 173.57 1xf2 s PRO 59 N 1.44 2.38 0.00 2.72 0.02 -1.26 -4.91 135.00 135.39 1xf2 s PRO 59 Ca 0.50 1.79 0.25 0.00 0.02 0.00 0.00 61.00 63.57 1xf2 s PRO 59 Cb -0.20 -1.86 1.38 0.00 0.02 0.00 0.00 34.50 33.84 1xf2 s PRO 59 CO 0.24 -1.66 1.86 -1.13 -0.33 0.00 0.00 177.00 175.98 1xf2 n SER 60 N -2.38 0.00 0.18 2.53 3.41 -1.26 -2.30 113.62 113.79 1xf2 n SER 60 Ca 0.14 -0.38 0.14 0.00 -0.26 0.00 0.00 58.87 58.50 1xf2 n SER 60 Cb 0.50 -0.16 0.46 0.00 -0.26 0.00 0.00 64.21 64.75 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 -6.43 4.33 0.11 -1.91 -3.42 114.38 107.07 1xf2 h ARG 61 Ca 0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 1xf2 h ARG 61 Cb 0.13 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.19 1xf2 h ARG 61 CO 0.00 0.00 0.27 -0.06 0.10 0.00 0.00 179.97 180.28 1xf2 s PHE 62 N -3.34 3.76 -0.12 4.08 0.08 -0.97 -0.80 117.98 120.66 1xf2 s PHE 62 Ca 0.05 1.64 -0.05 0.00 0.12 0.00 0.00 56.93 58.69 1xf2 s PHE 62 Cb 0.09 -2.96 0.06 0.00 -0.57 0.00 0.00 43.02 39.64 1xf2 s PHE 62 CO 0.54 0.21 0.27 -1.54 -0.10 0.00 0.00 175.22 174.60 1xf2 s SER 63 N 0.09 -0.05 0.08 1.36 1.04 -0.17 -5.00 113.70 111.06 1xf2 s SER 63 Ca 0.44 0.60 0.02 0.00 0.48 0.00 0.00 55.95 57.48 1xf2 s SER 63 Cb -0.22 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1xf2 s SER 63 CO 0.27 -0.20 0.15 -0.83 0.98 0.00 0.00 173.24 173.61 1xf2 s GLY 64 N 1.76 2.05 0.30 7.32 0.00 -1.26 -0.36 107.32 117.12 1xf2 s GLY 64 Ca -0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 43.67 1xf2 s GLY 64 CO -0.09 -0.94 0.41 -1.35 0.00 0.00 0.00 173.10 171.13 1xf2 s SER 65 N -2.55 0.59 0.00 1.64 1.04 -0.67 -4.19 113.70 109.57 1xf2 s SER 65 Ca 0.32 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1xf2 s SER 65 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1xf2 s SER 65 CO 0.25 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1xf2 n GLY 66 N -0.47 2.67 3.51 7.32 0.00 -1.26 -2.19 105.19 114.76 1xf2 n GLY 66 Ca 0.01 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1xf2 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xf2 s SER 67 N 0.00 -0.08 0.33 1.61 1.04 -1.16 -4.78 113.70 110.66 1xf2 s SER 67 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1xf2 s SER 67 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1xf2 s SER 67 CO 0.00 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1xf2 n GLY 68 N -0.33 1.90 0.00 7.32 0.00 -0.14 -3.15 105.19 110.79 1xf2 n GLY 68 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.37 2.61 -2.24 -1.26 -1.56 114.28 107.46 1xf2 n THR 69 Ca 0.00 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 61.05 1xf2 n THR 69 Cb 0.00 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.42 2.15 0.04 -0.78 -1.52 -1.19 -0.94 119.66 116.99 1xf2 s GLN 70 Ca 0.00 -0.53 0.00 0.00 -1.95 0.00 0.00 55.36 52.88 1xf2 s GLN 70 Cb 0.00 -1.86 -0.03 0.00 -0.22 0.00 0.00 33.01 30.90 1xf2 s GLN 70 CO 0.00 -0.10 -0.04 -0.06 -0.25 0.00 0.00 175.29 174.84 1xf2 s PHE 71 N 1.09 0.43 0.02 0.91 0.40 -0.02 -3.01 117.98 117.80 1xf2 s PHE 71 Ca -0.05 -0.67 -0.10 0.00 -0.60 0.00 0.00 56.93 55.51 1xf2 s PHE 71 Cb -0.14 -0.29 0.01 0.00 0.51 0.00 0.00 43.02 43.10 1xf2 s PHE 71 CO -0.03 -0.21 0.21 -1.54 0.70 0.00 0.00 175.22 174.35 1xf2 s SER 72 N -1.91 -0.01 -0.17 1.36 1.04 -0.93 -0.88 113.70 112.20 1xf2 s SER 72 Ca -0.08 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1xf2 s SER 72 Cb -0.05 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1xf2 s SER 72 CO -0.03 -0.51 -0.19 -0.22 0.98 0.00 0.00 173.24 173.28 1xf2 s LEU 73 N -1.83 2.22 -0.14 2.42 2.96 0.23 -1.66 118.68 122.88 1xf2 s LEU 73 Ca -0.08 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.18 1xf2 s LEU 73 Cb -0.03 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1xf2 s LEU 73 CO -0.01 0.02 0.02 -0.75 -1.32 0.00 0.00 176.35 174.30 1xf2 s LYS 74 N 1.18 3.58 -0.30 1.98 2.20 0.51 -1.05 119.74 127.84 1xf2 s LYS 74 Ca 0.02 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1xf2 s LYS 74 Cb -0.14 -3.00 0.06 0.00 -1.51 0.00 0.00 37.83 33.25 1xf2 s LYS 74 CO -0.09 0.41 -0.02 0.42 -0.36 0.00 0.00 175.35 175.71 1xf2 s ILE 75 N -0.05 2.67 -0.07 5.43 1.01 -0.61 -1.00 121.20 128.58 1xf2 s ILE 75 Ca 0.04 -1.61 -0.30 0.00 0.00 0.00 0.00 60.65 58.78 1xf2 s ILE 75 Cb -0.13 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 1xf2 s ILE 75 CO 0.02 -0.17 0.99 0.20 0.00 0.00 0.00 174.94 175.98 1xf2 s ASN 76 N 1.21 7.28 -0.83 3.58 0.01 0.02 -2.27 114.94 123.94 1xf2 s ASN 76 Ca -0.04 1.56 -0.03 0.00 -0.71 0.00 0.00 52.86 53.65 1xf2 s ASN 76 Cb -0.20 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 38.90 1xf2 s ASN 76 CO -0.03 -0.38 0.71 -0.24 -1.51 0.00 0.00 177.10 175.64 1xf2 n SER 77 N 4.62 -6.75 -4.49 -1.22 2.88 -1.05 -4.79 113.62 102.83 1xf2 n SER 77 Ca 0.08 -0.44 -0.40 0.00 -1.33 0.00 0.00 58.87 56.78 1xf2 n SER 77 Cb 0.50 -4.24 0.02 0.00 -0.75 0.00 0.00 64.21 59.74 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 -2.35 0.76 -4.42 2.46 4.77 0.48 -4.49 117.00 114.21 1xf2 n LEU 78 Ca -0.09 0.86 -0.22 0.00 -0.03 0.00 0.00 56.01 56.53 1xf2 n LEU 78 Cb 0.57 -1.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.38 1xf2 n LEU 78 CO 0.58 -2.72 -0.47 -1.10 -1.33 0.00 0.00 177.39 172.35 1xf2 s GLN 79 N -1.87 1.54 0.31 3.23 -1.52 -1.26 -0.27 119.66 119.82 1xf2 s GLN 79 Ca 0.66 -1.69 0.07 0.00 -1.95 0.00 0.00 55.36 52.44 1xf2 s GLN 79 Cb -0.53 -1.52 0.77 0.00 -0.22 0.00 0.00 33.01 31.50 1xf2 s GLN 79 CO 0.56 0.28 1.77 -1.35 -0.25 0.00 0.00 175.29 176.30 1xf2 h PRO 80 N 2.41 0.71 0.00 2.91 0.11 -1.99 -1.46 132.00 134.69 1xf2 h PRO 80 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xf2 h PRO 80 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xf2 h PRO 80 CO 0.60 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 1xf2 n GLU 81 N -4.79 0.43 0.02 1.05 0.00 -1.26 -3.21 120.64 112.87 1xf2 n GLU 81 Ca 0.24 0.05 0.11 0.00 0.00 0.00 0.00 57.16 57.56 1xf2 n GLU 81 Cb 0.60 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.65 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 -1.10 0.63 -4.73 -1.84 8.00 -0.55 -4.89 116.55 112.07 1xf2 n ASP 82 Ca 0.11 -0.29 -0.41 0.00 0.71 0.00 0.00 54.79 54.91 1xf2 n ASP 82 Cb 0.08 0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 41.69 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 -3.09 3.80 -5.00 1.24 0.08 -1.20 -4.86 117.98 108.95 1xf2 s PHE 83 Ca 0.07 1.73 0.00 0.00 0.12 0.00 0.00 56.93 58.85 1xf2 s PHE 83 Cb 0.16 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.61 1xf2 s PHE 83 CO 0.76 0.24 0.00 0.41 -0.10 0.00 0.00 175.22 176.53 1xf2 n GLY 84 N 2.24 -0.19 3.82 4.36 0.00 -0.74 -4.88 105.19 109.80 1xf2 n GLY 84 Ca 0.01 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 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 5.67 -0.04 1.61 0.01 -0.25 -0.55 113.70 116.15 1xf2 s SER 85 Ca 0.00 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.26 1xf2 s SER 85 Cb 0.00 -1.54 0.01 0.00 0.21 0.00 0.00 66.02 64.69 1xf2 s SER 85 CO 0.00 0.10 -0.12 -0.31 0.41 0.00 0.00 173.24 173.32 1xf2 s TYR 86 N -1.62 1.30 -0.04 2.43 1.51 0.37 -0.89 117.35 120.41 1xf2 s TYR 86 Ca 0.31 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 56.03 1xf2 s TYR 86 Cb -0.11 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1xf2 s TYR 86 CO 0.24 -0.17 -0.19 0.71 -1.11 0.00 0.00 175.55 175.02 1xf2 s TYR 87 N 0.33 1.86 0.19 2.71 1.51 -0.27 -0.95 117.35 122.73 1xf2 s TYR 87 Ca -0.07 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 1xf2 s TYR 87 Cb -0.12 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1xf2 s TYR 87 CO 0.02 -0.12 0.29 0.00 -1.11 0.00 0.00 175.55 174.63 1xf2 s GLN 89 N -3.53 0.41 0.59 0.00 0.74 -0.16 -0.81 119.66 116.89 1xf2 s GLN 89 Ca 0.34 1.10 -0.18 0.00 0.05 0.00 0.00 55.36 56.67 1xf2 s GLN 89 Cb -0.10 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 1xf2 s GLN 89 CO 0.28 -0.22 1.11 -3.38 -0.55 0.00 0.00 175.29 172.53 1xf2 s HIS 90 N 2.44 2.68 -0.29 1.67 -3.43 -1.03 -0.44 115.29 116.89 1xf2 s HIS 90 Ca -0.04 1.55 0.15 0.00 -0.80 0.00 0.00 55.06 55.91 1xf2 s HIS 90 Cb -0.11 -3.22 0.48 0.00 -1.43 0.00 0.00 32.58 28.30 1xf2 s HIS 90 CO -0.14 -1.56 1.13 -2.39 -2.00 0.00 0.00 174.74 169.77 1xf2 n HIS 91 N -1.76 1.99 -3.12 0.38 1.44 -0.47 -4.33 115.22 109.35 1xf2 n HIS 91 Ca 0.11 -2.31 -0.45 0.00 -2.01 0.00 0.00 57.72 53.06 1xf2 n HIS 91 Cb 0.52 -0.27 -0.02 0.00 0.12 0.00 0.00 29.99 30.33 1xf2 n HIS 91 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1xf2 s TYR 92 N -3.64 3.46 0.00 -1.40 6.04 -1.25 -4.93 117.35 115.62 1xf2 s TYR 92 Ca 0.38 -1.74 0.00 0.00 0.04 0.00 0.00 57.07 55.75 1xf2 s TYR 92 Cb 0.37 -4.07 0.00 0.00 -1.04 0.00 0.00 41.96 37.23 1xf2 s TYR 92 CO -0.01 -1.25 0.00 0.41 -1.54 0.00 0.00 175.55 173.16 1xf2 n GLY 93 N 4.66 0.58 3.36 8.97 0.00 -1.26 -4.88 105.19 116.63 1xf2 n GLY 93 Ca 0.20 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 1xf2 n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xf2 s THR 94 N 0.00 2.02 0.47 2.61 -4.23 -1.26 -4.24 115.64 111.02 1xf2 s THR 94 Ca 0.00 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.41 1xf2 s THR 94 Cb 0.00 -1.91 -0.09 0.00 1.34 0.00 0.00 72.50 71.84 1xf2 s THR 94 CO 0.00 -0.17 1.04 -2.16 -0.54 0.00 0.00 174.62 172.78 1xf2 s PRO 95 N -2.55 3.88 0.26 3.99 0.04 -1.26 -5.13 135.00 134.23 1xf2 s PRO 95 Ca 0.16 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 1xf2 s PRO 95 Cb -0.07 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 1xf2 s PRO 95 CO 0.07 -0.37 1.07 -0.51 0.04 0.00 0.00 177.00 177.31 1xf2 s LEU 96 N -3.33 4.57 0.05 -3.56 2.01 -1.26 -4.95 118.68 112.20 1xf2 s LEU 96 Ca 0.66 2.19 0.03 0.00 0.01 0.00 0.00 54.13 57.02 1xf2 s LEU 96 Cb -0.17 -3.62 -0.02 0.00 0.01 0.00 0.00 46.19 42.39 1xf2 s LEU 96 CO 0.21 -0.09 -0.10 0.42 1.01 0.00 0.00 176.35 177.80 1xf2 s THR 97 N -1.08 0.72 0.08 5.49 -4.23 -1.26 -5.05 115.64 110.31 1xf2 s THR 97 Ca 0.44 -1.11 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 1xf2 s THR 97 Cb -0.31 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 1xf2 s THR 97 CO 0.39 -0.31 0.01 -0.36 -0.54 0.00 0.00 174.62 173.81 1xf2 s PHE 98 N -1.29 3.01 1.03 3.99 0.08 -1.26 -2.46 117.98 121.08 1xf2 s PHE 98 Ca -0.07 -0.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.85 1xf2 s PHE 98 Cb -0.10 -1.55 0.21 0.00 -0.57 0.00 0.00 43.02 41.01 1xf2 s PHE 98 CO 0.01 0.48 1.07 0.20 -0.10 0.00 0.00 175.22 176.88 1xf2 s GLY 99 N -2.27 1.59 0.00 4.36 0.00 0.01 -4.53 107.32 106.47 1xf2 s GLY 99 Ca 0.26 -0.05 0.30 0.00 0.00 0.00 0.00 44.72 45.23 1xf2 s GLY 99 CO 0.18 0.55 2.03 0.00 0.00 0.00 0.00 173.10 175.86 1xf2 n ALA 100 N -4.42 2.50 0.00 3.20 0.00 -1.26 -4.69 120.51 115.84 1xf2 n ALA 100 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xf2 n ALA 100 Cb 0.55 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.30 2.37 3.03 0.00 0.00 -1.26 -5.03 105.19 105.60 1xf2 n GLY 101 Ca 0.14 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.53 1.55 -0.30 2.61 2.01 -0.12 -4.58 115.64 114.28 1xf2 s THR 102 Ca 0.00 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 1xf2 s THR 102 Cb 0.00 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 1xf2 s THR 102 CO 0.00 0.45 0.51 -0.75 -0.69 0.00 0.00 174.62 174.15 1xf2 s LYS 103 N 1.29 3.89 -0.34 4.92 2.20 -0.08 -0.48 119.74 131.14 1xf2 s LYS 103 Ca 0.00 0.13 -0.10 0.00 -0.36 0.00 0.00 55.97 55.64 1xf2 s LYS 103 Cb -0.14 -3.71 0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1xf2 s LYS 103 CO -0.07 -0.47 0.18 -1.17 -0.36 0.00 0.00 175.35 173.46 1xf2 s LEU 104 N 2.35 4.39 0.25 5.43 2.96 0.29 -1.85 118.68 132.51 1xf2 s LEU 104 Ca 0.20 -0.71 0.12 0.00 -0.22 0.00 0.00 54.13 53.52 1xf2 s LEU 104 Cb -0.15 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1xf2 s LEU 104 CO 0.11 -0.28 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.04 1xf2 s GLU 105 N 1.60 1.64 0.19 1.98 2.02 -0.06 -1.80 118.70 124.27 1xf2 s GLU 105 Ca 0.04 -1.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.07 1xf2 s GLU 105 Cb -0.18 -1.81 -0.08 0.00 0.10 0.00 0.00 34.13 32.16 1xf2 s GLU 105 CO 0.07 0.36 0.98 -0.51 0.02 0.00 0.00 175.26 176.18 1xf2 s LEU 106 N -3.18 4.57 0.15 1.80 1.43 -1.26 -1.14 118.68 121.05 1xf2 s LEU 106 Ca 0.26 1.95 -0.24 0.00 -1.03 0.00 0.00 54.13 55.08 1xf2 s LEU 106 Cb -0.06 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 1xf2 s LEU 106 CO 0.13 0.01 0.73 -0.75 0.23 0.00 0.00 176.35 176.70 1xf2 s LYS 107 N -0.71 4.47 0.35 1.70 2.20 0.11 -4.70 119.74 123.17 1xf2 s LYS 107 Ca 0.44 1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 57.08 1xf2 s LYS 107 Cb -0.26 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1xf2 s LYS 107 CO 0.33 0.57 0.49 -0.98 -0.36 0.00 0.00 175.35 175.39 1xf2 s ARG 108 N -1.22 1.95 0.60 4.03 1.70 -1.26 -4.80 118.95 119.95 1xf2 s ARG 108 Ca 0.35 -1.77 -0.14 0.00 -0.47 0.00 0.00 55.73 53.70 1xf2 s ARG 108 Cb -0.22 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1xf2 s ARG 108 CO 0.24 -0.81 1.04 0.00 -1.08 0.00 0.00 175.30 174.69 1xf2 s ALA 109 N -2.97 2.85 0.46 7.88 0.00 -1.26 -4.99 121.76 123.72 1xf2 s ALA 109 Ca 0.30 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 1xf2 s ALA 109 Cb -0.01 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 1xf2 s ALA 109 CO 0.21 -0.74 1.43 -0.51 0.00 0.00 0.00 175.76 176.14 1xf2 s ASP 110 N -3.24 5.84 -0.06 0.00 1.01 -1.26 -4.77 116.67 114.19 1xf2 s ASP 110 Ca 0.60 2.92 -0.03 0.00 0.71 0.00 0.00 52.55 56.75 1xf2 s ASP 110 Cb -0.13 -2.65 0.04 0.00 1.01 0.00 0.00 42.92 41.18 1xf2 s ASP 110 CO 0.41 -1.20 0.13 0.00 0.21 0.00 0.00 175.17 174.72 1xf2 s ALA 111 N -1.21 -0.19 0.50 5.23 0.00 0.29 -4.90 121.76 121.47 1xf2 s ALA 111 Ca 0.62 0.61 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 1xf2 s ALA 111 Cb -0.44 -0.49 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 1xf2 s ALA 111 CO 0.56 -0.22 1.06 0.00 0.00 0.00 0.00 175.76 177.16 1xf2 s ALA 112 N 1.35 2.84 0.51 0.00 0.00 -1.26 -1.33 121.76 123.86 1xf2 s ALA 112 Ca -0.07 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 1xf2 s ALA 112 Cb -0.12 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1xf2 s ALA 112 CO -0.06 -0.42 1.10 -1.25 0.00 0.00 0.00 175.76 175.13 1xf2 s PRO 113 N -3.22 3.58 -0.39 0.00 0.04 -1.26 -4.52 135.00 129.23 1xf2 s PRO 113 Ca 0.68 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 1xf2 s PRO 113 Cb -0.18 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1xf2 s PRO 113 CO 0.22 -0.65 0.62 0.99 0.04 0.00 0.00 177.00 178.22 1xf2 s THR 114 N -1.82 4.88 -0.18 1.26 2.01 -0.36 -4.85 115.64 116.58 1xf2 s THR 114 Ca 0.70 0.38 -0.06 0.00 0.31 0.00 0.00 61.69 63.01 1xf2 s THR 114 Cb -0.21 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1xf2 s THR 114 CO 0.25 -0.41 0.04 -0.69 -0.69 0.00 0.00 174.62 173.12 1xf2 s VAL 115 N 2.71 4.55 -0.04 3.82 1.01 -1.26 -1.05 120.40 130.14 1xf2 s VAL 115 Ca 0.23 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1xf2 s VAL 115 Cb -0.14 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1xf2 s VAL 115 CO 0.16 0.46 -0.18 -0.44 0.00 0.00 0.00 175.10 175.11 1xf2 s SER 116 N 0.41 2.20 0.04 3.32 0.01 -0.42 -4.99 113.70 114.28 1xf2 s SER 116 Ca 0.01 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 56.99 1xf2 s SER 116 Cb -0.13 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 1xf2 s SER 116 CO 0.01 0.17 -0.21 -0.51 0.41 0.00 0.00 173.24 173.12 1xf2 s ILE 117 N -0.07 2.60 -0.09 1.44 2.07 -1.26 -1.32 121.20 124.56 1xf2 s ILE 117 Ca -0.01 -1.23 -0.01 0.00 -1.41 0.00 0.00 60.65 57.98 1xf2 s ILE 117 Cb -0.11 -2.07 0.03 0.00 0.13 0.00 0.00 42.46 40.45 1xf2 s ILE 117 CO 0.02 0.36 0.00 -0.36 -1.91 0.00 0.00 174.94 173.05 1xf2 s PHE 118 N -0.88 0.76 0.90 3.50 0.40 0.54 -5.00 117.98 118.19 1xf2 s PHE 118 Ca 0.14 -0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 1xf2 s PHE 118 Cb -0.10 -0.85 0.13 0.00 0.51 0.00 0.00 43.02 42.70 1xf2 s PHE 118 CO 0.04 -0.37 1.10 -2.14 0.70 0.00 0.00 175.22 174.55 1xf2 s PRO 119 N 1.95 1.22 0.34 0.24 0.02 -1.26 -1.49 135.00 136.02 1xf2 s PRO 119 Ca 0.04 1.16 -0.28 0.00 0.02 0.00 0.00 61.00 61.95 1xf2 s PRO 119 Cb -0.13 -1.78 -0.13 0.00 0.02 0.00 0.00 34.50 32.49 1xf2 s PRO 119 CO -0.06 -2.36 1.18 -2.30 -0.33 0.00 0.00 177.00 173.13 1xf2 n PRO 120 N -4.01 1.81 -1.94 5.54 -0.02 -1.15 -4.78 135.00 130.45 1xf2 n PRO 120 Ca 0.09 0.64 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 1xf2 n PRO 120 Cb 0.53 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 1xf2 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xf2 s SER 121 N -0.44 5.91 0.52 2.55 1.04 -1.26 -4.89 113.70 117.13 1xf2 s SER 121 Ca 0.57 2.72 0.24 0.00 0.48 0.00 0.00 55.95 59.96 1xf2 s SER 121 Cb -0.61 -2.64 1.36 0.00 0.10 0.00 0.00 66.02 64.23 1xf2 s SER 121 CO 0.61 -1.13 1.99 0.77 0.98 0.00 0.00 173.24 176.45 1xf2 h SER 122 N 2.20 0.05 -0.09 7.02 4.64 -2.00 -2.01 113.55 123.36 1xf2 h SER 122 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1xf2 h SER 122 Cb 1.27 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xf2 h SER 122 CO 0.61 0.02 0.02 -0.33 -0.87 0.00 0.00 176.83 176.28 1xf2 h GLU 123 N 0.05 0.14 -0.77 4.77 5.08 -1.99 -2.90 114.58 118.96 1xf2 h GLU 123 Ca 0.26 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1xf2 h GLU 123 Cb 0.99 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1xf2 h GLU 123 CO -0.02 0.31 0.34 0.37 -1.00 0.00 0.00 179.01 179.01 1xf2 h GLN 124 N -0.05 1.12 -0.44 2.33 4.15 -1.69 -2.48 115.11 118.05 1xf2 h GLN 124 Ca 0.03 -0.18 0.08 0.00 0.77 0.00 0.00 58.65 59.35 1xf2 h GLN 124 Cb 0.23 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1xf2 h GLN 124 CO -0.00 0.89 0.30 -0.07 -1.93 0.00 0.00 178.83 178.02 1xf2 h LEU 125 N 1.11 0.19 -1.92 -2.39 3.38 -1.31 0.73 115.31 115.09 1xf2 h LEU 125 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1xf2 h LEU 125 Cb 0.16 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xf2 h LEU 125 CO -0.03 0.12 -0.12 0.71 0.09 0.00 0.00 178.44 179.22 1xf2 h THR 126 N 0.22 0.76 -0.00 0.22 1.35 -1.24 -2.97 112.91 111.25 1xf2 h THR 126 Ca 0.20 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1xf2 h THR 126 Cb 0.51 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1xf2 h THR 126 CO -0.04 0.11 -0.08 -1.54 -0.25 0.00 0.00 175.52 173.73 1xf2 n SER 127 N -3.94 0.20 0.00 5.36 3.41 0.25 -4.94 113.62 113.96 1xf2 n SER 127 Ca -0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1xf2 n SER 127 Cb 0.21 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.34 0.42 3.73 5.00 0.00 -1.12 -5.07 105.19 109.49 1xf2 n GLY 128 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.80 1.63 -0.21 -0.02 0.00 -1.24 -0.93 107.32 104.76 1xf2 s GLY 129 Ca 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 1xf2 s GLY 129 CO 0.00 -1.42 0.21 0.00 0.00 0.00 0.00 173.10 171.90 1xf2 s ALA 130 N -1.94 -0.22 -0.15 3.20 0.00 -0.24 -3.20 121.76 119.21 1xf2 s ALA 130 Ca 0.30 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 1xf2 s ALA 130 Cb -0.09 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1xf2 s ALA 130 CO 0.22 -1.24 -0.04 -1.12 0.00 0.00 0.00 175.76 173.57 1xf2 s SER 131 N 2.31 4.75 -0.19 0.00 0.01 -1.26 -0.54 113.70 118.78 1xf2 s SER 131 Ca 0.07 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.13 1xf2 s SER 131 Cb -0.16 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1xf2 s SER 131 CO -0.13 0.17 0.02 -0.69 0.41 0.00 0.00 173.24 173.02 1xf2 s VAL 132 N 0.35 4.28 -0.06 3.43 1.01 0.25 -2.94 120.40 126.72 1xf2 s VAL 132 Ca -0.05 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1xf2 s VAL 132 Cb -0.14 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1xf2 s VAL 132 CO 0.03 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.79 1xf2 s VAL 133 N 0.69 3.47 -0.12 2.92 1.01 -0.56 -0.34 120.40 127.48 1xf2 s VAL 133 Ca 0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1xf2 s VAL 133 Cb -0.14 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1xf2 s VAL 133 CO 0.02 0.60 -0.07 0.00 0.00 0.00 0.00 175.10 175.64 1xf2 s PHE 135 N 1.70 3.52 -0.42 0.00 0.08 -0.44 -0.80 117.98 121.61 1xf2 s PHE 135 Ca 0.04 0.58 0.04 0.00 0.12 0.00 0.00 56.93 57.71 1xf2 s PHE 135 Cb -0.13 -2.21 0.11 0.00 -0.57 0.00 0.00 43.02 40.22 1xf2 s PHE 135 CO -0.08 0.41 0.15 -0.51 -0.10 0.00 0.00 175.22 175.09 1xf2 s LEU 136 N -0.08 4.56 -0.05 -0.37 1.02 0.38 -1.30 118.68 122.84 1xf2 s LEU 136 Ca 0.15 -2.55 -0.01 0.00 0.02 0.00 0.00 54.13 51.74 1xf2 s LEU 136 Cb -0.13 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1xf2 s LEU 136 CO 0.04 -0.31 0.02 0.20 0.02 0.00 0.00 176.35 176.32 1xf2 s ASN 137 N 0.35 5.35 -1.10 2.29 0.02 -0.22 -0.71 114.94 120.92 1xf2 s ASN 137 Ca 0.14 0.12 -0.09 0.00 -1.02 0.00 0.00 52.86 52.01 1xf2 s ASN 137 Cb -0.22 -1.50 -0.04 0.00 0.02 0.00 0.00 41.25 39.51 1xf2 s ASN 137 CO -0.04 0.34 0.88 0.59 0.02 0.00 0.00 177.10 178.88 1xf2 n ASN 138 N 1.76 -5.51 -4.68 -1.22 4.13 -0.80 -1.22 115.26 107.73 1xf2 n ASN 138 Ca -0.17 -0.78 -0.24 0.00 1.68 0.00 0.00 54.58 55.07 1xf2 n ASN 138 Cb 0.53 -4.68 -0.08 0.00 -1.54 0.00 0.00 39.78 34.02 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 -3.43 2.62 -0.24 3.10 -0.71 -0.32 -4.61 117.98 114.40 1xf2 s PHE 139 Ca 0.39 -0.41 -0.19 0.00 -1.04 0.00 0.00 56.93 55.67 1xf2 s PHE 139 Cb -0.08 -1.56 0.06 0.00 -1.21 0.00 0.00 43.02 40.23 1xf2 s PHE 139 CO 0.77 0.41 0.62 -0.47 -1.34 0.00 0.00 175.22 175.21 1xf2 s TYR 140 N -2.48 -0.76 1.05 3.49 5.04 -0.44 -0.12 117.35 123.14 1xf2 s TYR 140 Ca 0.36 1.73 -0.18 0.00 -2.44 0.00 0.00 57.07 56.55 1xf2 s TYR 140 Cb -0.01 0.32 0.24 0.00 0.35 0.00 0.00 41.96 42.87 1xf2 s TYR 140 CO 0.21 -0.37 1.29 -1.25 -1.34 0.00 0.00 175.55 174.09 1xf2 s PRO 141 N 0.72 -0.07 0.49 4.97 0.04 -1.26 -0.55 135.00 139.35 1xf2 s PRO 141 Ca -0.03 -0.43 0.27 0.00 0.04 0.00 0.00 61.00 60.85 1xf2 s PRO 141 Cb -0.05 -1.77 1.25 0.00 0.04 0.00 0.00 34.50 33.98 1xf2 s PRO 141 CO -0.05 -2.88 1.97 -0.22 0.04 0.00 0.00 177.00 175.86 1xf2 h LYS 142 N -1.98 0.00 -6.27 4.56 3.64 -1.98 -3.44 116.57 111.10 1xf2 h LYS 142 Ca -0.44 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.39 1xf2 h LYS 142 Cb 1.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1xf2 h LYS 142 CO 0.32 0.16 0.99 0.34 -2.27 0.00 0.00 179.45 178.98 1xf2 s ASP 143 N -6.11 6.76 0.03 4.20 2.15 -1.26 -4.99 116.67 117.45 1xf2 s ASP 143 Ca -0.01 2.10 -0.20 0.00 0.43 0.00 0.00 52.55 54.87 1xf2 s ASP 143 Cb 0.12 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1xf2 s ASP 143 CO 0.60 -0.84 0.45 -0.51 -0.17 0.00 0.00 175.17 174.70 1xf2 s ILE 144 N 3.48 0.04 -0.12 4.11 2.07 -1.26 -4.64 121.20 124.88 1xf2 s ILE 144 Ca 0.67 -0.37 0.02 0.00 -1.41 0.00 0.00 60.65 59.57 1xf2 s ILE 144 Cb -0.31 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.38 1xf2 s ILE 144 CO 0.26 -0.20 -0.18 0.21 -1.91 0.00 0.00 174.94 173.12 1xf2 s ASN 145 N -1.81 2.68 -0.08 4.50 2.47 -0.51 -4.99 114.94 117.20 1xf2 s ASN 145 Ca -0.07 -0.49 0.01 0.00 0.42 0.00 0.00 52.86 52.73 1xf2 s ASN 145 Cb -0.01 -1.22 -0.03 0.00 -1.45 0.00 0.00 41.25 38.54 1xf2 s ASN 145 CO 0.00 0.04 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.62 1xf2 s VAL 146 N 0.90 3.33 -0.03 -5.21 1.01 -1.26 -0.53 120.40 118.62 1xf2 s VAL 146 Ca -0.07 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1xf2 s VAL 146 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1xf2 s VAL 146 CO -0.01 0.57 -0.12 -0.54 0.00 0.00 0.00 175.10 175.00 1xf2 s LYS 147 N -0.48 1.30 -0.12 2.72 1.02 -0.07 -4.97 119.74 119.14 1xf2 s LYS 147 Ca 0.07 -0.42 -0.06 0.00 0.02 0.00 0.00 55.97 55.58 1xf2 s LYS 147 Cb -0.12 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1xf2 s LYS 147 CO 0.02 0.16 0.10 -1.58 -0.92 0.00 0.00 175.35 173.13 1xf2 s TRP 148 N 0.16 3.46 -0.02 3.18 0.52 -1.26 -0.68 118.94 124.31 1xf2 s TRP 148 Ca -0.04 0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.51 1xf2 s TRP 148 Cb -0.10 -1.92 0.00 0.00 -1.15 0.00 0.00 33.47 30.30 1xf2 s TRP 148 CO 0.01 0.62 -0.06 0.15 0.02 0.00 0.00 176.95 177.69 1xf2 s LYS 149 N -0.85 0.64 -0.18 4.98 1.02 -0.35 -1.11 119.74 123.90 1xf2 s LYS 149 Ca 0.14 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1xf2 s LYS 149 Cb -0.12 -0.63 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 1xf2 s LYS 149 CO 0.03 0.08 -0.17 0.42 -0.92 0.00 0.00 175.35 174.79 1xf2 s ILE 150 N 0.15 2.33 -1.70 2.17 1.01 0.17 -1.14 121.20 124.19 1xf2 s ILE 150 Ca -0.02 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 1xf2 s ILE 150 Cb -0.06 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.53 1xf2 s ILE 150 CO -0.00 0.52 0.34 0.47 0.00 0.00 0.00 174.94 176.27 1xf2 n ASP 151 N 4.50 -0.63 0.00 3.58 8.00 -0.24 -0.84 116.55 130.93 1xf2 n ASP 151 Ca -0.20 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1xf2 n ASP 151 Cb 0.51 -1.75 0.00 0.00 -0.02 0.00 0.00 41.12 39.85 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 -1.80 3.13 3.72 0.44 0.00 -1.26 -5.02 105.19 104.40 1xf2 n GLY 152 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.86 7.00 0.25 1.61 0.01 -0.02 -4.98 113.70 116.71 1xf2 s SER 153 Ca 0.00 1.20 -0.30 0.00 1.31 0.00 0.00 55.95 58.16 1xf2 s SER 153 Cb 0.00 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.72 1xf2 s SER 153 CO 0.00 -0.09 1.39 -0.70 0.41 0.00 0.00 173.24 174.25 1xf2 s GLU 154 N 0.69 4.31 -0.20 12.44 2.12 -1.26 -0.66 118.70 136.13 1xf2 s GLU 154 Ca 0.37 2.23 -0.03 0.00 0.36 0.00 0.00 54.97 57.89 1xf2 s GLU 154 Cb -0.18 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 1xf2 s GLU 154 CO 0.18 -0.34 -0.05 0.50 -0.54 0.00 0.00 175.26 175.01 1xf2 s ARG 155 N -0.52 3.41 -0.12 4.30 6.06 -0.27 -4.90 118.95 126.91 1xf2 s ARG 155 Ca 0.57 -0.62 0.14 0.00 -2.50 0.00 0.00 55.73 53.32 1xf2 s ARG 155 Cb -0.40 -2.96 -0.20 0.00 0.06 0.00 0.00 34.95 31.46 1xf2 s ARG 155 CO 0.43 -0.10 0.11 1.04 -2.50 0.00 0.00 175.30 174.28 1xf2 n GLN 156 N 4.51 1.37 -2.21 5.12 6.02 -1.26 -4.37 117.38 126.55 1xf2 n GLN 156 Ca -0.18 -0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.38 1xf2 n GLN 156 Cb 0.51 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.37 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 -4.61 6.69 -0.94 1.08 -0.87 -1.26 -3.71 114.94 111.31 1xf2 s ASN 157 Ca -0.07 2.51 0.00 0.00 -1.57 0.00 0.00 52.86 53.73 1xf2 s ASN 157 Cb 0.06 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 1xf2 s ASN 157 CO 0.62 -0.58 0.00 0.61 -2.57 0.00 0.00 177.10 175.18 1xf2 n GLY 158 N 0.79 0.05 3.67 0.66 0.00 -1.26 -4.74 105.19 104.35 1xf2 n GLY 158 Ca 0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.52 5.31 -0.19 1.61 1.01 -1.24 -0.43 120.40 123.94 1xf2 s VAL 159 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1xf2 s VAL 159 Cb 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 1xf2 s VAL 159 CO 0.00 0.32 -0.11 -0.76 0.00 0.00 0.00 175.10 174.56 1xf2 s LEU 160 N 1.08 2.63 -0.03 3.92 1.43 0.19 -4.95 118.68 122.94 1xf2 s LEU 160 Ca 0.11 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1xf2 s LEU 160 Cb -0.14 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1xf2 s LEU 160 CO 0.05 0.02 -0.25 0.20 0.23 0.00 0.00 176.35 176.60 1xf2 s ASN 161 N 1.23 3.13 -0.12 2.29 0.02 -1.26 -0.68 114.94 119.55 1xf2 s ASN 161 Ca 0.03 -0.45 -0.09 0.00 -1.02 0.00 0.00 52.86 51.32 1xf2 s ASN 161 Cb -0.14 -0.43 0.04 0.00 0.02 0.00 0.00 41.25 40.74 1xf2 s ASN 161 CO -0.04 0.32 0.30 -0.55 0.02 0.00 0.00 177.10 177.14 1xf2 s SER 162 N -0.58 -0.32 -0.06 -1.22 0.15 -0.52 -5.01 113.70 106.15 1xf2 s SER 162 Ca 0.09 0.61 0.04 0.00 0.70 0.00 0.00 55.95 57.39 1xf2 s SER 162 Cb -0.10 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.77 1xf2 s SER 162 CO -0.00 -0.12 -0.17 0.26 1.20 0.00 0.00 173.24 174.40 1xf2 s TRP 163 N 0.49 2.62 0.72 3.44 0.51 -1.26 -1.13 118.94 124.33 1xf2 s TRP 163 Ca -0.03 -0.34 -0.11 0.00 -2.12 0.00 0.00 56.10 53.50 1xf2 s TRP 163 Cb -0.04 -1.63 0.02 0.00 -0.81 0.00 0.00 33.47 31.01 1xf2 s TRP 163 CO -0.03 0.04 1.07 0.95 -0.51 0.00 0.00 176.95 178.48 1xf2 s THR 164 N -0.49 3.76 0.81 2.01 -4.23 -0.62 -5.01 115.64 111.88 1xf2 s THR 164 Ca 0.06 0.57 -0.11 0.00 -1.18 0.00 0.00 61.69 61.04 1xf2 s THR 164 Cb -0.12 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.44 1xf2 s THR 164 CO 0.01 -0.75 1.09 -1.81 -0.54 0.00 0.00 174.62 172.63 1xf2 s ASP 165 N -3.92 4.16 0.05 3.99 1.01 -1.26 -4.58 116.67 116.12 1xf2 s ASP 165 Ca 0.59 1.69 -0.36 0.00 0.71 0.00 0.00 52.55 55.18 1xf2 s ASP 165 Cb -0.14 -2.39 -0.15 0.00 1.01 0.00 0.00 42.92 41.26 1xf2 s ASP 165 CO 0.54 -2.23 1.52 1.67 0.21 0.00 0.00 175.17 176.89 1xf2 n GLN 166 N -3.64 1.58 -2.08 8.23 7.27 -1.26 -4.75 117.38 122.73 1xf2 n GLN 166 Ca 0.08 0.57 -0.42 0.00 0.07 0.00 0.00 57.00 57.30 1xf2 n GLN 166 Cb 0.54 -2.28 -0.03 0.00 2.41 0.00 0.00 30.24 30.88 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 1.38 6.73 0.24 1.69 3.68 -0.31 -4.92 116.67 125.16 1xf2 s ASP 167 Ca 0.85 2.34 0.25 0.00 2.13 0.00 0.00 52.55 58.12 1xf2 s ASP 167 Cb -0.85 -2.57 0.87 0.00 -1.45 0.00 0.00 42.92 38.92 1xf2 s ASP 167 CO 0.47 -0.77 1.76 -1.54 0.13 0.00 0.00 175.17 175.21 1xf2 n SER 168 N 5.00 0.79 0.02 -0.34 3.41 -1.26 -0.61 113.62 120.63 1xf2 n SER 168 Ca 0.14 0.61 -0.17 0.00 -0.26 0.00 0.00 58.87 59.19 1xf2 n SER 168 Cb 0.42 -0.81 -0.14 0.00 -0.26 0.00 0.00 64.21 63.41 1xf2 n SER 168 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xf2 h LYS 169 N 0.00 0.21 0.00 4.33 1.57 -1.98 -3.41 116.57 117.29 1xf2 h LYS 169 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1xf2 h LYS 169 Cb 0.62 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1xf2 h LYS 169 CO 0.00 1.02 0.00 -0.40 -0.57 0.00 0.00 179.45 179.50 1xf2 n ASP 170 N -3.38 0.68 -0.80 0.86 5.68 -1.23 -5.04 116.55 113.32 1xf2 n ASP 170 Ca -0.22 -1.16 -0.10 0.00 -0.50 0.00 0.00 54.79 52.80 1xf2 n ASP 170 Cb 1.05 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.98 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 -0.08 -4.66 -5.00 -1.12 7.64 0.22 -5.00 113.62 105.61 1xf2 n SER 171 Ca 0.00 0.26 -0.19 0.00 1.01 0.00 0.00 58.87 59.95 1xf2 n SER 171 Cb 0.20 -3.08 0.02 0.00 -1.01 0.00 0.00 64.21 60.34 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 -2.25 2.56 0.21 0.44 -4.23 -1.26 -4.77 115.64 106.34 1xf2 s THR 172 Ca 0.00 -1.07 0.11 0.00 -1.18 0.00 0.00 61.69 59.55 1xf2 s THR 172 Cb 0.00 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 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 -2.51 2.14 0.12 3.99 2.02 0.83 -1.16 117.35 122.78 1xf2 s TYR 173 Ca 0.55 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.91 1xf2 s TYR 173 Cb -0.07 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 1xf2 s TYR 173 CO 0.34 0.51 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.60 1xf2 s SER 174 N -2.94 1.67 0.00 2.29 0.01 -1.26 -1.18 113.70 112.30 1xf2 s SER 174 Ca 0.22 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1xf2 s SER 174 Cb -0.06 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.15 1xf2 s SER 174 CO 0.10 -0.27 -0.01 -0.32 0.41 0.00 0.00 173.24 173.15 1xf2 s MET 175 N -3.11 0.10 -0.11 12.44 0.00 0.12 -1.59 119.30 127.15 1xf2 s MET 175 Ca 0.10 -0.14 0.03 0.00 0.00 0.00 0.00 55.69 55.68 1xf2 s MET 175 Cb -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 34.83 34.79 1xf2 s MET 175 CO 0.01 0.00 -0.22 0.45 0.00 0.00 0.00 175.02 175.26 1xf2 s SER 176 N -0.30 3.28 -0.11 1.11 0.15 -0.28 -0.47 113.70 117.08 1xf2 s SER 176 Ca -0.03 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.13 1xf2 s SER 176 Cb -0.02 -1.45 0.01 0.00 -1.71 0.00 0.00 66.02 62.85 1xf2 s SER 176 CO -0.00 0.16 -0.18 -0.55 1.20 0.00 0.00 173.24 173.87 1xf2 s SER 177 N 0.37 2.62 -0.18 5.45 0.15 0.02 -1.44 113.70 120.68 1xf2 s SER 177 Ca -0.17 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.02 1xf2 s SER 177 Cb -0.17 -1.19 0.02 0.00 -1.71 0.00 0.00 66.02 62.97 1xf2 s SER 177 CO 0.08 0.05 -0.19 -0.89 1.20 0.00 0.00 173.24 173.49 1xf2 s THR 178 N 0.82 2.10 -0.38 6.45 2.01 0.14 -0.97 115.64 125.81 1xf2 s THR 178 Ca -0.09 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 60.80 1xf2 s THR 178 Cb -0.16 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.47 1xf2 s THR 178 CO 0.00 0.53 0.43 -0.22 -0.69 0.00 0.00 174.62 174.68 1xf2 s LEU 179 N 1.29 4.59 -0.23 4.42 2.96 0.54 -0.64 118.68 131.61 1xf2 s LEU 179 Ca 0.05 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.48 1xf2 s LEU 179 Cb -0.13 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 1xf2 s LEU 179 CO -0.13 -0.48 0.19 -0.89 -1.32 0.00 0.00 176.35 173.72 1xf2 s THR 180 N 2.17 5.35 0.24 3.68 2.01 0.42 -0.58 115.64 128.93 1xf2 s THR 180 Ca 0.14 0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.46 1xf2 s THR 180 Cb -0.16 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1xf2 s THR 180 CO 0.13 0.35 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.56 1xf2 s LEU 181 N 0.97 2.49 0.55 4.42 1.43 0.30 -4.68 118.68 124.17 1xf2 s LEU 181 Ca 0.09 -1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 51.91 1xf2 s LEU 181 Cb -0.13 -0.62 -0.06 0.00 0.03 0.00 0.00 46.19 45.41 1xf2 s LEU 181 CO 0.04 -0.27 1.04 0.42 0.23 0.00 0.00 176.35 177.80 1xf2 s THR 182 N -3.03 3.94 0.15 5.49 -4.23 -1.26 -1.08 115.64 115.62 1xf2 s THR 182 Ca 0.26 0.99 -0.18 0.00 -1.18 0.00 0.00 61.69 61.58 1xf2 s THR 182 Cb 0.02 -3.46 0.04 0.00 1.34 0.00 0.00 72.50 70.44 1xf2 s THR 182 CO 0.09 -0.47 1.69 0.50 -0.54 0.00 0.00 174.62 175.89 1xf2 h LYS 183 N 0.82 0.03 0.00 3.99 3.64 -1.24 -0.96 116.57 122.85 1xf2 h LYS 183 Ca -0.47 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 1xf2 h LYS 183 Cb 1.21 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1xf2 h LYS 183 CO 0.59 0.02 -0.26 0.38 -2.27 0.00 0.00 179.45 177.91 1xf2 h ASP 184 N 0.03 0.00 -0.21 4.20 3.04 -1.94 -0.66 116.42 120.88 1xf2 h ASP 184 Ca 0.16 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.86 1xf2 h ASP 184 Cb 0.23 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.52 1xf2 h ASP 184 CO -0.31 0.26 -0.23 -0.08 -2.04 0.00 0.00 179.24 176.84 1xf2 h GLU 185 N 0.00 0.53 -1.01 4.15 4.57 -1.87 -3.11 114.58 117.84 1xf2 h GLU 185 Ca -0.00 -0.28 0.08 0.00 -1.18 0.00 0.00 59.36 57.98 1xf2 h GLU 185 Cb 0.64 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.17 1xf2 h GLU 185 CO 0.03 0.87 0.65 -0.92 -1.18 0.00 0.00 179.01 178.46 1xf2 h TYR 186 N 0.21 1.19 0.00 0.92 3.20 -0.40 -0.82 116.97 121.27 1xf2 h TYR 186 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1xf2 h TYR 186 Cb 0.78 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1xf2 h TYR 186 CO 0.08 0.57 0.00 0.39 -1.64 0.00 0.00 178.16 177.56 1xf2 n GLU 187 N -4.54 0.09 0.00 1.82 -0.58 -0.33 -3.12 120.64 113.98 1xf2 n GLU 187 Ca 0.17 0.11 0.14 0.00 -0.42 0.00 0.00 57.16 57.16 1xf2 n GLU 187 Cb 0.24 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.16 1xf2 n GLU 187 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xf2 n ARG 188 N -1.44 0.28 -4.20 3.49 1.74 -0.31 -4.93 116.66 111.29 1xf2 n ARG 188 Ca 0.07 -0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 56.92 1xf2 n ARG 188 Cb 0.23 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.78 1.13 -0.20 -1.55 3.76 -1.18 -5.09 115.29 109.38 1xf2 s HIS 189 Ca 0.20 -0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 54.29 1xf2 s HIS 189 Cb 0.19 -0.60 -0.09 0.00 1.11 0.00 0.00 32.58 33.19 1xf2 s HIS 189 CO 0.54 0.02 -0.26 -1.71 -0.85 0.00 0.00 174.74 172.48 1xf2 n ASN 190 N 0.22 1.44 -4.65 1.40 5.15 -1.26 -4.74 115.26 112.82 1xf2 n ASN 190 Ca -0.13 0.24 -0.37 0.00 -0.60 0.00 0.00 54.58 53.71 1xf2 n ASN 190 Cb 0.59 -0.59 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 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 -6.80 6.19 -0.10 1.20 0.15 -1.26 -0.67 113.70 112.41 1xf2 s SER 191 Ca -0.28 0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.60 1xf2 s SER 191 Cb 0.11 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 1xf2 s SER 191 CO 0.36 -0.00 -0.21 -0.31 1.20 0.00 0.00 173.24 174.28 1xf2 s TYR 192 N 1.28 2.61 -0.01 3.44 2.02 -0.63 -1.08 117.35 124.98 1xf2 s TYR 192 Ca 0.11 -0.81 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 1xf2 s TYR 192 Cb -0.14 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1xf2 s TYR 192 CO 0.06 -0.28 -0.03 0.99 -1.57 0.00 0.00 175.55 174.72 1xf2 s THR 193 N 0.17 0.29 -0.18 -0.71 2.01 -0.29 -1.75 115.64 115.18 1xf2 s THR 193 Ca -0.12 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1xf2 s THR 193 Cb -0.16 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1xf2 s THR 193 CO 0.06 0.11 -0.03 0.00 -0.69 0.00 0.00 174.62 174.07 1xf2 s GLU 195 N 0.74 1.42 -0.25 0.00 2.12 0.15 -1.85 118.70 121.03 1xf2 s GLU 195 Ca -0.01 -0.33 -0.06 0.00 0.36 0.00 0.00 54.97 54.92 1xf2 s GLU 195 Cb -0.14 -1.72 -0.02 0.00 0.26 0.00 0.00 34.13 32.51 1xf2 s GLU 195 CO 0.02 -0.34 0.04 0.00 -0.54 0.00 0.00 175.26 174.44 1xf2 s ALA 196 N 1.70 3.05 -0.23 6.30 0.00 0.14 -0.89 121.76 131.83 1xf2 s ALA 196 Ca 0.03 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 1xf2 s ALA 196 Cb -0.14 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1xf2 s ALA 196 CO -0.08 -0.53 0.14 0.99 0.00 0.00 0.00 175.76 176.28 1xf2 s THR 197 N 1.56 5.23 0.02 0.00 2.01 0.31 -0.71 115.64 124.06 1xf2 s THR 197 Ca 0.06 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 1xf2 s THR 197 Cb -0.15 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1xf2 s THR 197 CO 0.01 0.38 0.22 -2.28 -0.69 0.00 0.00 174.62 172.26 1xf2 s HIS 198 N 0.88 -0.02 0.55 4.92 2.46 -1.26 -1.43 115.29 121.39 1xf2 s HIS 198 Ca 0.07 -0.11 0.28 0.00 0.47 0.00 0.00 55.06 55.78 1xf2 s HIS 198 Cb -0.13 0.01 1.46 0.00 -0.13 0.00 0.00 32.58 33.79 1xf2 s HIS 198 CO 0.03 -0.41 1.94 -0.22 -2.47 0.00 0.00 174.74 173.61 1xf2 h LYS 199 N 3.66 0.00 0.00 2.88 3.64 -1.94 -2.63 116.57 122.18 1xf2 h LYS 199 Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1xf2 h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1xf2 h LYS 199 CO 0.45 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.88 1xf2 n THR 200 N -4.12 0.12 -3.78 1.00 -2.24 -1.26 -4.75 114.28 99.25 1xf2 n THR 200 Ca 0.12 0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1xf2 n THR 200 Cb 0.72 -0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 68.24 1xf2 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xf2 s SER 201 N -2.58 -0.21 0.28 3.42 0.15 -0.99 -4.97 113.70 108.81 1xf2 s SER 201 Ca 0.26 0.41 -0.03 0.00 0.70 0.00 0.00 55.95 57.29 1xf2 s SER 201 Cb 0.18 0.37 0.40 0.00 -1.71 0.00 0.00 66.02 65.26 1xf2 s SER 201 CO 0.42 -0.10 1.92 0.74 1.20 0.00 0.00 173.24 177.41 1xf2 h THR 202 N 5.28 1.22 -3.27 6.45 2.02 -1.85 -3.42 112.91 119.34 1xf2 h THR 202 Ca -0.32 -0.51 -0.67 0.00 0.77 0.00 0.00 66.41 65.68 1xf2 h THR 202 Cb 1.18 0.14 -0.15 0.00 -1.74 0.00 0.00 68.15 67.57 1xf2 h THR 202 CO 0.39 0.24 -0.61 -0.94 0.37 0.00 0.00 175.52 174.97 1xf2 s SER 203 N -6.34 5.30 0.51 4.18 1.04 -1.26 -5.04 113.70 112.08 1xf2 s SER 203 Ca -0.11 0.12 -0.21 0.00 0.48 0.00 0.00 55.95 56.23 1xf2 s SER 203 Cb 0.17 -1.61 -0.09 0.00 0.10 0.00 0.00 66.02 64.59 1xf2 s SER 203 CO 0.80 0.33 0.78 -2.65 0.98 0.00 0.00 173.24 173.48 1xf2 n PRO 204 N 2.48 0.86 -2.88 4.02 -0.02 -1.26 -4.88 135.00 133.32 1xf2 n PRO 204 Ca -0.18 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1xf2 n PRO 204 Cb 0.53 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.50 4.65 -0.06 4.25 -1.09 0.11 -4.89 121.20 122.67 1xf2 s ILE 205 Ca 0.68 1.81 0.03 0.00 -2.23 0.00 0.00 60.65 60.94 1xf2 s ILE 205 Cb -0.50 -4.20 0.01 0.00 -1.58 0.00 0.00 42.46 36.19 1xf2 s ILE 205 CO 0.54 0.34 -0.13 0.54 -1.23 0.00 0.00 174.94 175.00 1xf2 s VAL 206 N 0.02 1.19 -0.11 2.92 0.11 -1.26 -0.68 120.40 122.58 1xf2 s VAL 206 Ca 0.42 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1xf2 s VAL 206 Cb -0.22 -1.07 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1xf2 s VAL 206 CO 0.26 0.36 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.63 1xf2 s LYS 207 N 0.58 2.86 0.09 1.54 -0.14 -0.77 -5.03 119.74 118.87 1xf2 s LYS 207 Ca -0.13 -0.81 0.03 0.00 -1.36 0.00 0.00 55.97 53.69 1xf2 s LYS 207 Cb -0.15 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 1xf2 s LYS 207 CO 0.04 0.09 -0.08 -1.12 -0.76 0.00 0.00 175.35 173.52 1xf2 s SER 208 N 0.55 1.23 0.06 2.83 0.01 -1.26 -0.70 113.70 116.42 1xf2 s SER 208 Ca -0.14 -0.85 -0.09 0.00 1.31 0.00 0.00 55.95 56.18 1xf2 s SER 208 Cb -0.17 0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 1xf2 s SER 208 CO 0.05 -0.34 0.18 0.72 0.41 0.00 0.00 173.24 174.26 1xf2 s PHE 209 N -2.75 0.12 -0.15 2.43 -0.12 -0.72 -5.02 117.98 111.78 1xf2 s PHE 209 Ca 0.05 -0.44 -0.06 0.00 -0.05 0.00 0.00 56.93 56.44 1xf2 s PHE 209 Cb -0.01 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1xf2 s PHE 209 CO -0.02 -0.47 0.06 -0.80 -0.05 0.00 0.00 175.22 173.94 1xf2 s ASN 210 N -2.44 5.66 0.19 1.98 0.01 -1.26 -1.61 114.94 117.48 1xf2 s ASN 210 Ca -0.00 0.17 -0.12 0.00 -0.71 0.00 0.00 52.86 52.19 1xf2 s ASN 210 Cb 0.02 -1.86 0.19 0.00 0.41 0.00 0.00 41.25 40.01 1xf2 s ASN 210 CO -0.07 0.27 1.76 -0.09 -1.51 0.00 0.00 177.10 177.45 1xf2 h ARG 211 N 6.01 0.40 -0.98 -0.60 2.43 -1.19 -2.77 114.38 117.67 1xf2 h ARG 211 Ca -0.43 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.46 1xf2 h ARG 211 Cb 1.18 -0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 30.50 1xf2 h ARG 211 CO 0.64 0.26 0.32 0.27 -1.51 0.00 0.00 179.97 179.95 1xf2 n ASN 212 N -4.97 3.40 -0.68 -3.80 2.04 -1.26 -5.15 115.26 104.84 1xf2 n ASN 212 Ca 0.06 -2.82 0.09 0.00 -0.44 0.00 0.00 54.58 51.47 1xf2 n ASN 212 Cb 0.20 -0.67 0.07 0.00 -2.53 0.00 0.00 39.78 36.85 1xf2 n ASN 212 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20