#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xc4 n GLU 2 N 0.00 0.00 -0.29 2.12 0.00 -1.26 -0.13 120.64 121.08 1xc4 n GLU 2 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 1xc4 n GLU 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 1xc4 n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xc4 h ARG 3 N 0.00 -0.13 -0.38 5.31 3.08 -1.99 0.44 114.38 120.71 1xc4 h ARG 3 Ca 0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1xc4 h ARG 3 Cb 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1xc4 h ARG 3 CO 0.00 -0.09 0.06 1.88 -1.07 0.00 0.00 179.97 180.75 1xc4 h TYR 4 N -0.13 0.09 0.00 3.04 0.05 -0.87 -0.28 116.97 118.87 1xc4 h TYR 4 Ca 0.21 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.01 1xc4 h TYR 4 Cb 0.54 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1xc4 h TYR 4 CO -0.82 -0.01 0.00 -1.91 -1.05 0.00 0.00 178.16 174.38 1xc4 n GLU 5 N -5.12 0.00 -0.27 4.88 2.13 -0.03 -1.15 120.64 121.08 1xc4 n GLU 5 Ca 0.02 0.57 0.05 0.00 0.66 0.00 0.00 57.16 58.46 1xc4 n GLU 5 Cb 0.18 -1.35 0.15 0.00 0.27 0.00 0.00 31.44 30.69 1xc4 n GLU 5 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1xc4 h SER 6 N 0.00 -0.45 -0.51 4.31 0.02 -1.02 0.35 113.55 116.25 1xc4 h SER 6 Ca 0.00 0.21 0.09 0.00 -0.84 0.00 0.00 61.79 61.26 1xc4 h SER 6 Cb 0.00 0.39 -0.08 0.00 0.14 0.00 0.00 62.40 62.85 1xc4 h SER 6 CO 0.00 -0.21 0.06 0.25 -1.14 0.00 0.00 176.83 175.79 1xc4 h LEU 7 N 0.07 -0.09 -1.54 5.07 5.85 -0.92 0.63 115.31 124.38 1xc4 h LEU 7 Ca 0.42 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 59.19 1xc4 h LEU 7 Cb 0.72 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1xc4 h LEU 7 CO -0.72 -0.02 -0.24 -0.26 -0.34 0.00 0.00 178.44 176.86 1xc4 h PHE 8 N 0.18 0.00 0.16 1.25 0.04 0.12 -2.25 116.94 116.44 1xc4 h PHE 8 Ca 0.26 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 1xc4 h PHE 8 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1xc4 h PHE 8 CO -0.27 0.24 -0.08 0.00 -0.60 0.00 0.00 178.31 177.61 1xc4 h ALA 9 N 1.76 -0.21 0.00 2.45 0.00 0.85 -2.37 119.26 121.75 1xc4 h ALA 9 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xc4 h ALA 9 Cb 0.44 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xc4 h ALA 9 CO 0.03 -0.44 0.00 1.04 0.00 0.00 0.00 179.25 179.88 1xc4 n GLN 10 N -5.03 0.64 -0.05 0.00 6.02 -0.37 -1.89 117.38 116.70 1xc4 n GLN 10 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 1xc4 n GLN 10 Cb 0.23 -1.46 -0.14 0.00 1.02 0.00 0.00 30.24 29.88 1xc4 n GLN 10 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xc4 n LEU 11 N -0.96 1.34 0.35 1.08 4.77 -0.86 -3.77 117.00 118.94 1xc4 n LEU 11 Ca 0.14 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1xc4 n LEU 11 Cb 0.07 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1xc4 n LEU 11 CO 0.11 0.60 0.42 0.50 -1.33 0.00 0.00 177.39 177.68 1xc4 h LYS 12 N 0.02 -0.88 -1.23 3.23 1.63 -0.86 -0.51 116.57 117.97 1xc4 h LYS 12 Ca -0.43 0.06 0.36 0.00 -0.85 0.00 0.00 60.65 59.79 1xc4 h LYS 12 Cb 2.06 0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 33.81 1xc4 h LYS 12 CO 0.04 -0.58 0.85 1.49 -3.45 0.00 0.00 179.45 177.80 1xc4 h GLU 13 N -1.10 0.13 -0.01 1.90 4.81 -1.73 1.57 114.58 120.16 1xc4 h GLU 13 Ca -0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xc4 h GLU 13 Cb 0.70 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1xc4 h GLU 13 CO 0.15 0.09 -0.14 0.54 -0.73 0.00 0.00 179.01 178.92 1xc4 n ARG 14 N -4.38 0.83 -3.31 1.92 1.74 -1.14 -4.93 116.66 107.39 1xc4 n ARG 14 Ca 0.29 -0.36 -0.24 0.00 -0.77 0.00 0.00 57.85 56.77 1xc4 n ARG 14 Cb 1.23 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 31.23 1xc4 n ARG 14 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xc4 n LYS 15 N -0.77 -5.86 -3.93 5.56 4.76 0.54 -4.69 118.16 113.77 1xc4 n LYS 15 Ca 0.14 0.83 -0.10 0.00 -2.87 0.00 0.00 58.31 56.31 1xc4 n LYS 15 Cb 0.30 -5.75 -0.11 0.00 -1.84 0.00 0.00 35.03 27.63 1xc4 n LYS 15 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1xc4 s GLU 16 N -6.00 0.30 0.77 1.97 -1.05 -0.25 -3.69 118.70 110.74 1xc4 s GLU 16 Ca 0.43 -0.42 -0.07 0.00 -0.15 0.00 0.00 54.97 54.77 1xc4 s GLU 16 Cb -0.20 0.11 0.12 0.00 -0.44 0.00 0.00 34.13 33.73 1xc4 s GLU 16 CO 0.54 -0.06 1.08 0.20 0.95 0.00 0.00 175.26 177.97 1xc4 s GLY 17 N -1.13 1.74 0.03 -3.83 0.00 -0.21 -4.37 107.32 99.56 1xc4 s GLY 17 Ca -0.12 -1.30 -0.00 0.00 0.00 0.00 0.00 44.72 43.30 1xc4 s GLY 17 CO -0.00 -0.75 0.16 0.00 0.00 0.00 0.00 173.10 172.51 1xc4 s ALA 18 N -3.35 3.84 -0.24 3.20 0.00 -0.25 -4.81 121.76 120.14 1xc4 s ALA 18 Ca 0.66 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 1xc4 s ALA 18 Cb -0.07 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 1xc4 s ALA 18 CO 0.46 0.77 0.02 0.12 0.00 0.00 0.00 175.76 177.13 1xc4 s PHE 19 N -1.38 3.04 -0.51 0.00 5.36 -1.26 -0.54 117.98 122.69 1xc4 s PHE 19 Ca 0.30 -0.79 0.04 0.00 -0.96 0.00 0.00 56.93 55.51 1xc4 s PHE 19 Cb -0.13 -2.18 0.13 0.00 -0.34 0.00 0.00 43.02 40.51 1xc4 s PHE 19 CO 0.22 -0.49 0.25 0.08 -1.46 0.00 0.00 175.22 173.82 1xc4 s VAL 20 N 1.52 2.64 0.79 3.12 1.01 0.26 -2.57 120.40 127.17 1xc4 s VAL 20 Ca 0.05 -3.21 -0.11 0.00 0.00 0.00 0.00 61.98 58.70 1xc4 s VAL 20 Cb -0.15 -2.83 0.07 0.00 0.00 0.00 0.00 36.38 33.47 1xc4 s VAL 20 CO 0.00 -0.79 1.12 -2.16 0.00 0.00 0.00 175.10 173.27 1xc4 s PRO 21 N -0.17 1.97 -0.05 2.72 0.04 -1.26 -3.18 135.00 135.06 1xc4 s PRO 21 Ca 0.16 1.37 0.06 0.00 0.04 0.00 0.00 61.00 62.64 1xc4 s PRO 21 Cb -0.25 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1xc4 s PRO 21 CO -0.01 -1.89 -0.25 0.12 0.04 0.00 0.00 177.00 175.02 1xc4 s PHE 22 N -2.66 2.37 0.04 0.56 2.19 0.25 -2.16 117.98 118.58 1xc4 s PHE 22 Ca 0.65 -0.67 -0.04 0.00 0.33 0.00 0.00 56.93 57.21 1xc4 s PHE 22 Cb -0.20 -1.55 -0.02 0.00 -1.31 0.00 0.00 43.02 39.94 1xc4 s PHE 22 CO 0.53 -0.19 0.05 0.54 1.83 0.00 0.00 175.22 177.99 1xc4 s VAL 23 N -0.22 0.15 -0.32 3.12 0.11 -1.06 -4.49 120.40 117.69 1xc4 s VAL 23 Ca -0.02 -1.21 -0.11 0.00 -2.93 0.00 0.00 61.98 57.71 1xc4 s VAL 23 Cb -0.13 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1xc4 s VAL 23 CO 0.03 -0.67 0.18 -0.89 -3.33 0.00 0.00 175.10 170.42 1xc4 s THR 24 N -2.72 4.86 0.03 5.04 2.01 -1.26 0.13 115.64 123.72 1xc4 s THR 24 Ca -0.04 -0.30 -0.38 0.00 0.31 0.00 0.00 61.69 61.27 1xc4 s THR 24 Cb -0.01 -3.46 -0.18 0.00 0.01 0.00 0.00 72.50 68.86 1xc4 s THR 24 CO -0.05 0.07 1.26 0.18 -0.69 0.00 0.00 174.62 175.38 1xc4 n LEU 25 N 5.02 1.02 -0.05 4.42 4.77 -0.52 -1.06 117.00 130.59 1xc4 n LEU 25 Ca -0.14 1.14 -0.01 0.00 -0.03 0.00 0.00 56.01 56.97 1xc4 n LEU 25 Cb 0.50 -1.08 -0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1xc4 n LEU 25 CO 0.35 -1.35 -0.01 0.61 -1.33 0.00 0.00 177.39 175.65 1xc4 n GLY 26 N 2.22 0.46 3.30 -0.72 0.00 -1.26 -4.73 105.19 104.45 1xc4 n GLY 26 Ca 0.20 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1xc4 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xc4 s ASP 27 N -2.75 4.37 0.39 1.61 -1.08 -0.23 -2.05 116.67 116.94 1xc4 s ASP 27 Ca 0.00 -0.50 0.24 0.00 -0.52 0.00 0.00 52.55 51.77 1xc4 s ASP 27 Cb 0.00 -1.74 0.50 0.00 -1.46 0.00 0.00 42.92 40.23 1xc4 s ASP 27 CO 0.00 -0.05 1.67 1.55 0.52 0.00 0.00 175.17 178.85 1xc4 h PRO 28 N 8.11 0.00 -4.23 4.34 0.13 -1.92 -3.38 132.00 135.05 1xc4 h PRO 28 Ca -0.39 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 1xc4 h PRO 28 Cb 1.15 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 1xc4 h PRO 28 CO 0.60 0.00 -0.47 0.20 -0.23 0.00 0.00 178.00 178.10 1xc4 s GLY 29 N -4.05 0.97 -0.00 1.56 0.00 -0.87 -5.00 107.32 99.92 1xc4 s GLY 29 Ca 0.08 -1.32 -0.25 0.00 0.00 0.00 0.00 44.72 43.22 1xc4 s GLY 29 CO 0.64 -1.12 1.34 -2.22 0.00 0.00 0.00 173.10 171.74 1xc4 h ILE 30 N 2.59 1.33 -0.45 0.90 2.04 -1.95 0.67 117.51 122.63 1xc4 h ILE 30 Ca -0.33 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 1xc4 h ILE 30 Cb 1.23 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1xc4 h ILE 30 CO 0.50 0.26 0.13 -0.08 0.00 0.00 0.00 178.15 178.95 1xc4 h GLU 31 N -0.40 0.71 -0.20 2.37 4.81 -1.98 -2.15 114.58 117.74 1xc4 h GLU 31 Ca 0.00 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1xc4 h GLU 31 Cb 0.42 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1xc4 h GLU 31 CO 0.00 0.70 -0.00 0.37 -0.73 0.00 0.00 179.01 179.35 1xc4 h GLN 32 N 0.60 0.36 -0.16 1.92 5.75 -1.95 -1.59 115.11 120.05 1xc4 h GLN 32 Ca 0.14 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1xc4 h GLN 32 Cb 0.29 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 1xc4 h GLN 32 CO -0.00 0.56 -0.44 1.03 -2.65 0.00 0.00 178.83 177.33 1xc4 h SER 33 N 0.12 -1.39 -0.42 -0.69 0.87 0.49 0.53 113.55 113.07 1xc4 h SER 33 Ca 0.06 0.18 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 1xc4 h SER 33 Cb 0.40 0.57 -0.07 0.00 -0.44 0.00 0.00 62.40 62.86 1xc4 h SER 33 CO 0.01 -0.43 0.01 -0.07 -0.53 0.00 0.00 176.83 175.82 1xc4 h LEU 34 N -0.49 -0.16 -1.72 2.23 3.38 -1.36 0.96 115.31 118.17 1xc4 h LEU 34 Ca 0.08 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xc4 h LEU 34 Cb 0.63 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1xc4 h LEU 34 CO -0.42 -0.04 0.12 0.50 0.09 0.00 0.00 178.44 178.68 1xc4 h LYS 35 N 0.12 0.00 0.00 1.13 1.63 0.12 -2.13 116.57 117.43 1xc4 h LYS 35 Ca 0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1xc4 h LYS 35 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1xc4 h LYS 35 CO -0.34 0.00 -0.23 0.82 -3.45 0.00 0.00 179.45 176.25 1xc4 h ILE 36 N 0.00 0.00 -0.75 2.00 2.04 0.58 -3.32 117.51 118.06 1xc4 h ILE 36 Ca 0.00 -0.78 0.16 0.00 1.00 0.00 0.00 64.86 65.24 1xc4 h ILE 36 Cb 0.24 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.18 1xc4 h ILE 36 CO 0.00 0.00 -0.12 0.40 0.00 0.00 0.00 178.15 178.43 1xc4 h ILE 37 N -0.78 0.27 -0.42 -0.67 5.03 -0.40 0.12 117.51 120.67 1xc4 h ILE 37 Ca 0.00 -0.01 0.06 0.00 -0.12 0.00 0.00 64.86 64.79 1xc4 h ILE 37 Cb 0.23 0.24 -0.05 0.00 -3.03 0.00 0.00 36.82 34.21 1xc4 h ILE 37 CO 0.00 0.01 0.12 0.44 -0.68 0.00 0.00 178.15 178.04 1xc4 h ASP 38 N 0.03 0.10 -0.92 1.72 3.32 -1.62 -0.84 116.42 118.21 1xc4 h ASP 38 Ca 0.38 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 1xc4 h ASP 38 Cb 0.62 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1xc4 h ASP 38 CO -0.74 0.09 0.53 0.74 -1.72 0.00 0.00 179.24 178.14 1xc4 h THR 39 N 0.27 1.26 -0.22 0.35 2.02 -0.97 -0.04 112.91 115.58 1xc4 h THR 39 Ca 0.20 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1xc4 h THR 39 Cb 0.21 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1xc4 h THR 39 CO -0.22 0.28 0.15 -0.07 0.37 0.00 0.00 175.52 176.03 1xc4 h LEU 40 N 1.28 0.26 0.23 2.58 3.38 -0.37 -2.75 115.31 119.92 1xc4 h LEU 40 Ca 0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1xc4 h LEU 40 Cb -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xc4 h LEU 40 CO -0.06 0.20 -0.25 0.40 0.09 0.00 0.00 178.44 178.82 1xc4 h ILE 41 N 0.30 0.00 0.00 1.22 2.04 -0.54 -2.13 117.51 118.39 1xc4 h ILE 41 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1xc4 h ILE 41 Cb -0.02 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1xc4 h ILE 41 CO -0.02 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.51 1xc4 n GLU 42 N -3.89 0.16 -0.00 2.37 4.71 -0.08 -1.29 120.64 122.62 1xc4 n GLU 42 Ca -0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.13 1xc4 n GLU 42 Cb 0.23 -1.02 -0.05 0.00 -1.01 0.00 0.00 31.44 29.58 1xc4 n GLU 42 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xc4 n ALA 43 N -0.26 2.56 0.00 0.62 0.00 -0.82 -4.99 120.51 117.63 1xc4 n ALA 43 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xc4 n ALA 43 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1xc4 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc4 n GLY 44 N 1.71 0.61 3.59 0.00 0.00 -0.41 -2.94 105.19 107.75 1xc4 n GLY 44 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.48 1xc4 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xc4 n ALA 45 N 0.00 -1.15 -0.04 4.61 0.00 -1.11 -4.78 120.51 118.03 1xc4 n ALA 45 Ca 0.00 0.51 0.04 0.00 0.00 0.00 0.00 53.44 53.99 1xc4 n ALA 45 Cb 0.00 -2.06 -0.17 0.00 0.00 0.00 0.00 19.45 17.23 1xc4 n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xc4 n ASP 46 N 2.71 0.03 -3.64 0.00 8.00 -1.06 -4.79 116.55 117.80 1xc4 n ASP 46 Ca 0.19 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.59 1xc4 n ASP 46 Cb 0.17 1.65 -0.07 0.00 -0.02 0.00 0.00 41.12 42.86 1xc4 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xc4 s ALA 47 N -3.16 -1.87 0.21 2.24 0.00 -1.26 -4.17 121.76 113.75 1xc4 s ALA 47 Ca -0.09 2.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.93 1xc4 s ALA 47 Cb 0.11 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.82 1xc4 s ALA 47 CO 0.88 -0.34 0.57 -0.51 0.00 0.00 0.00 175.76 176.35 1xc4 s LEU 48 N 0.90 4.21 -0.54 0.00 1.43 -0.65 -4.10 118.68 119.93 1xc4 s LEU 48 Ca -0.04 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.10 1xc4 s LEU 48 Cb -0.05 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.72 1xc4 s LEU 48 CO -0.09 -0.03 0.33 -0.70 0.23 0.00 0.00 176.35 176.09 1xc4 s GLU 49 N -2.56 1.85 -0.27 1.70 2.56 -0.92 -2.40 118.70 118.65 1xc4 s GLU 49 Ca 0.45 -2.63 -0.26 0.00 0.00 0.00 0.00 54.97 52.53 1xc4 s GLU 49 Cb -0.12 -2.93 0.00 0.00 2.00 0.00 0.00 34.13 33.08 1xc4 s GLU 49 CO 0.20 -1.20 0.89 -0.51 -0.56 0.00 0.00 175.26 174.08 1xc4 s LEU 50 N -0.44 4.06 0.33 2.70 1.43 -0.16 -2.58 118.68 124.02 1xc4 s LEU 50 Ca 0.21 0.97 -0.21 0.00 -1.03 0.00 0.00 54.13 54.06 1xc4 s LEU 50 Cb -0.17 -3.26 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 1xc4 s LEU 50 CO -0.06 -0.63 0.86 -0.83 0.23 0.00 0.00 176.35 175.91 1xc4 s GLY 51 N 1.46 2.56 -0.18 -3.19 0.00 0.35 -1.57 107.32 106.76 1xc4 s GLY 51 Ca 0.37 0.32 -0.00 0.00 0.00 0.00 0.00 44.72 45.41 1xc4 s GLY 51 CO 0.10 0.66 -0.14 -0.42 0.00 0.00 0.00 173.10 173.30 1xc4 s ILE 52 N -1.81 2.60 0.51 0.90 1.01 -1.05 -1.44 121.20 121.92 1xc4 s ILE 52 Ca 0.52 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 1xc4 s ILE 52 Cb -0.14 -2.12 -0.08 0.00 0.01 0.00 0.00 42.46 40.13 1xc4 s ILE 52 CO 0.19 0.50 1.04 -2.16 0.00 0.00 0.00 174.94 174.51 1xc4 s PRO 53 N 1.16 3.72 1.05 2.79 0.04 -1.26 -4.82 135.00 137.68 1xc4 s PRO 53 Ca 0.01 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1xc4 s PRO 53 Cb -0.14 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1xc4 s PRO 53 CO -0.06 -0.49 0.00 0.34 0.04 0.00 0.00 177.00 176.83 1xc4 n PHE 54 N -1.19 0.00 -2.41 0.56 7.35 -1.26 -4.94 117.46 115.58 1xc4 n PHE 54 Ca 0.09 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1xc4 n PHE 54 Cb 0.53 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.35 1xc4 n PHE 54 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1xc4 n VAL 76 N 0.00 -2.35 -1.70 -2.13 0.31 -1.26 -4.81 118.33 106.39 1xc4 n VAL 76 Ca 0.00 0.47 -0.30 0.00 -0.01 0.00 0.00 64.34 64.50 1xc4 n VAL 76 Cb 0.00 -2.54 0.09 0.00 -0.91 0.00 0.00 33.84 30.48 1xc4 n VAL 76 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1xc4 s THR 77 N -0.10 2.71 0.06 2.52 -4.23 -1.26 -4.91 115.64 110.44 1xc4 s THR 77 Ca -0.02 0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.47 1xc4 s THR 77 Cb 0.00 -3.09 -0.17 0.00 1.34 0.00 0.00 72.50 70.59 1xc4 s THR 77 CO 0.05 -0.30 1.58 -0.65 -0.54 0.00 0.00 174.62 174.76 1xc4 h PRO 78 N -1.07 -0.26 -1.27 3.99 0.11 -1.99 -2.51 132.00 128.99 1xc4 h PRO 78 Ca -0.47 0.02 0.37 0.00 0.11 0.00 0.00 66.00 66.03 1xc4 h PRO 78 Cb 1.29 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.41 1xc4 h PRO 78 CO 0.62 -0.09 0.99 0.00 -0.21 0.00 0.00 178.00 179.31 1xc4 h ALA 79 N 0.40 3.18 0.08 -0.75 0.00 -1.98 0.52 119.26 120.71 1xc4 h ALA 79 Ca -0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1xc4 h ALA 79 Cb 0.29 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xc4 h ALA 79 CO 0.05 -1.65 -0.60 1.96 0.00 0.00 0.00 179.25 179.01 1xc4 h GLN 80 N 0.00 0.16 -0.97 0.00 4.20 -1.86 -1.69 115.11 114.95 1xc4 h GLN 80 Ca 0.60 -0.27 0.05 0.00 0.06 0.00 0.00 58.65 59.09 1xc4 h GLN 80 Cb 2.58 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 30.40 1xc4 h GLN 80 CO -0.01 1.13 0.63 0.00 -0.67 0.00 0.00 178.83 179.91 1xc4 h PHE 82 N 1.17 0.00 -0.18 0.00 0.04 -0.58 -1.33 116.94 116.07 1xc4 h PHE 82 Ca 0.41 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 61.03 1xc4 h PHE 82 Cb 0.10 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1xc4 h PHE 82 CO -0.01 0.57 -0.51 1.49 -0.60 0.00 0.00 178.31 179.25 1xc4 h GLU 83 N 0.00 0.49 -0.17 1.51 4.81 0.17 -1.51 114.58 119.88 1xc4 h GLU 83 Ca -0.01 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 58.80 1xc4 h GLU 83 Cb 1.05 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1xc4 h GLU 83 CO 0.07 0.88 -0.44 0.52 -0.73 0.00 0.00 179.01 179.32 1xc4 h MET 84 N 0.38 0.60 -0.89 1.92 2.86 0.23 -2.07 114.93 117.96 1xc4 h MET 84 Ca 0.02 -0.42 0.05 0.00 -2.06 0.00 0.00 59.70 57.29 1xc4 h MET 84 Cb 1.02 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 1xc4 h MET 84 CO 0.09 1.03 0.57 -0.07 1.06 0.00 0.00 176.91 179.59 1xc4 h LEU 85 N 0.26 0.91 -0.62 1.22 3.38 -1.14 0.51 115.31 119.83 1xc4 h LEU 85 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1xc4 h LEU 85 Cb 1.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1xc4 h LEU 85 CO 0.10 0.60 0.24 0.00 0.09 0.00 0.00 178.44 179.46 1xc4 h ALA 86 N 1.40 0.81 0.31 1.53 0.00 -1.18 -0.44 119.26 121.69 1xc4 h ALA 86 Ca 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xc4 h ALA 86 Cb 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xc4 h ALA 86 CO -0.15 0.43 -0.15 -0.07 0.00 0.00 0.00 179.25 179.31 1xc4 h LEU 87 N 0.87 -0.35 -0.09 0.00 3.38 -0.43 -1.55 115.31 117.15 1xc4 h LEU 87 Ca 0.21 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1xc4 h LEU 87 Cb 0.22 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1xc4 h LEU 87 CO -0.01 -0.14 -0.45 0.40 0.09 0.00 0.00 178.44 178.32 1xc4 h ILE 88 N -0.55 0.11 -0.47 1.22 2.04 0.11 0.16 117.51 120.12 1xc4 h ILE 88 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1xc4 h ILE 88 Cb 0.41 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 1xc4 h ILE 88 CO 0.07 0.00 -0.56 -0.09 0.00 0.00 0.00 178.15 177.57 1xc4 h ARG 89 N -0.55 -0.34 -1.00 2.37 9.65 -1.05 1.30 114.38 124.76 1xc4 h ARG 89 Ca 0.06 0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.15 1xc4 h ARG 89 Cb 0.66 0.08 -0.10 0.00 -1.39 0.00 0.00 29.97 29.21 1xc4 h ARG 89 CO -0.38 -0.23 0.61 1.49 2.80 0.00 0.00 179.97 184.26 1xc4 h GLU 90 N -0.36 0.75 -0.02 0.20 4.57 -0.65 0.82 114.58 119.89 1xc4 h GLU 90 Ca 0.08 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 1xc4 h GLU 90 Cb 0.58 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1xc4 h GLU 90 CO -0.63 0.49 -0.75 0.87 -1.18 0.00 0.00 179.01 177.82 1xc4 h LYS 91 N 0.77 0.14 -2.55 1.92 1.57 0.23 -3.39 116.57 115.26 1xc4 h LYS 91 Ca 0.57 -0.12 -0.59 0.00 -1.87 0.00 0.00 60.65 58.63 1xc4 h LYS 91 Cb 0.88 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 32.83 1xc4 h LYS 91 CO -0.37 0.82 -0.88 -1.01 -0.57 0.00 0.00 179.45 177.44 1xc4 s HIS 92 N -3.42 1.38 0.24 -1.35 3.76 0.42 -5.04 115.29 111.28 1xc4 s HIS 92 Ca -0.02 -2.31 -0.04 0.00 -0.15 0.00 0.00 55.06 52.54 1xc4 s HIS 92 Cb 0.11 -1.21 0.44 0.00 1.11 0.00 0.00 32.58 33.03 1xc4 s HIS 92 CO 0.80 -0.79 1.76 -1.00 -0.85 0.00 0.00 174.74 174.66 1xc4 h PRO 93 N 6.00 0.54 0.00 8.40 0.13 -1.43 -3.26 132.00 142.38 1xc4 h PRO 93 Ca 0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xc4 h PRO 93 Cb 0.91 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1xc4 h PRO 93 CO 0.40 0.36 -1.25 0.25 -0.23 0.00 0.00 178.00 177.53 1xc4 n THR 94 N -4.91 0.14 -1.68 1.56 -2.24 -1.26 -4.95 114.28 100.94 1xc4 n THR 94 Ca 0.14 -0.29 -0.46 0.00 -2.27 0.00 0.00 64.05 61.17 1xc4 n THR 94 Cb 0.37 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 1xc4 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xc4 n ILE 95 N -2.01 0.62 -1.68 2.28 0.13 -1.23 -4.86 119.36 112.61 1xc4 n ILE 95 Ca 0.01 -0.11 -0.43 0.00 -1.10 0.00 0.00 62.75 61.12 1xc4 n ILE 95 Cb 0.46 -2.01 -0.03 0.00 -0.84 0.00 0.00 39.64 37.22 1xc4 n ILE 95 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 1xc4 s PRO 96 N 4.09 3.18 -0.38 9.51 0.02 -1.26 -4.88 135.00 145.28 1xc4 s PRO 96 Ca 0.91 1.93 -0.14 0.00 0.02 0.00 0.00 61.00 63.72 1xc4 s PRO 96 Cb -0.61 -4.34 0.01 0.00 0.02 0.00 0.00 34.50 29.58 1xc4 s PRO 96 CO 0.48 -2.05 0.27 0.42 -0.33 0.00 0.00 177.00 175.80 1xc4 s ILE 97 N 8.01 5.22 0.00 2.83 1.01 -1.26 -1.63 121.20 135.38 1xc4 s ILE 97 Ca 0.97 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 61.18 1xc4 s ILE 97 Cb -0.31 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 1xc4 s ILE 97 CO 0.35 -0.20 -0.25 -0.83 0.00 0.00 0.00 174.94 174.00 1xc4 s GLY 98 N 1.69 1.28 0.29 6.18 0.00 -1.01 0.13 107.32 115.87 1xc4 s GLY 98 Ca 0.05 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 43.70 1xc4 s GLY 98 CO 0.10 -0.98 0.27 1.08 0.00 0.00 0.00 173.10 173.57 1xc4 s LEU 99 N -0.81 3.79 -0.14 0.66 1.43 -0.53 -0.99 118.68 122.09 1xc4 s LEU 99 Ca 0.10 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1xc4 s LEU 99 Cb -0.10 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 43.80 1xc4 s LEU 99 CO 0.00 -0.19 0.08 -0.22 0.23 0.00 0.00 176.35 176.25 1xc4 s LEU 100 N -3.94 0.31 0.35 1.79 1.98 -0.61 -2.16 118.68 116.40 1xc4 s LEU 100 Ca 0.37 -0.43 -0.14 0.00 -2.89 0.00 0.00 54.13 51.04 1xc4 s LEU 100 Cb -0.07 -0.22 0.03 0.00 0.66 0.00 0.00 46.19 46.59 1xc4 s LEU 100 CO 0.26 -0.32 0.69 0.00 -1.89 0.00 0.00 176.35 175.09 1xc4 s MET 101 N 2.14 2.03 0.51 1.98 0.23 -0.94 -2.53 119.30 122.72 1xc4 s MET 101 Ca 0.03 -1.40 0.00 0.00 -1.03 0.00 0.00 55.69 53.29 1xc4 s MET 101 Cb -0.15 0.58 0.02 0.00 -1.53 0.00 0.00 34.83 33.74 1xc4 s MET 101 CO -0.07 -0.92 0.73 0.71 -2.03 0.00 0.00 175.02 173.44 1xc4 s TYR 102 N -2.89 3.04 0.23 3.16 2.02 -1.26 -1.47 117.35 120.18 1xc4 s TYR 102 Ca 0.18 0.13 0.36 0.00 -0.37 0.00 0.00 57.07 57.37 1xc4 s TYR 102 Cb -0.04 -2.55 1.65 0.00 -0.40 0.00 0.00 41.96 40.62 1xc4 s TYR 102 CO 0.12 -0.64 2.08 0.00 -1.57 0.00 0.00 175.55 175.54 1xc4 h ALA 103 N 0.21 1.00 0.62 3.71 0.00 -1.93 -3.35 119.26 119.52 1xc4 h ALA 103 Ca -0.44 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1xc4 h ALA 103 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1xc4 h ALA 103 CO 0.55 0.00 -0.46 -0.91 0.00 0.00 0.00 179.25 178.43 1xc4 h ASN 104 N 0.00 -1.21 -0.69 0.00 4.21 -1.95 0.66 115.58 116.61 1xc4 h ASN 104 Ca 0.00 0.08 0.15 0.00 1.21 0.00 0.00 56.30 57.74 1xc4 h ASN 104 Cb 0.36 0.37 -0.11 0.00 -1.12 0.00 0.00 38.32 37.82 1xc4 h ASN 104 CO 0.00 -0.67 0.06 0.25 -1.29 0.00 0.00 177.43 175.78 1xc4 h LEU 105 N -1.04 -0.20 0.07 1.61 7.12 -1.88 0.92 115.31 121.91 1xc4 h LEU 105 Ca -0.08 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 1xc4 h LEU 105 Cb 0.87 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1xc4 h LEU 105 CO 0.03 -0.11 -0.03 0.58 -0.13 0.00 0.00 178.44 178.78 1xc4 h VAL 106 N 0.16 1.03 -0.04 1.05 2.07 -1.69 -1.53 116.25 117.29 1xc4 h VAL 106 Ca 0.37 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1xc4 h VAL 106 Cb 0.63 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1xc4 h VAL 106 CO -0.56 0.08 0.06 -0.26 0.02 0.00 0.00 177.57 176.91 1xc4 h PHE 107 N -0.24 0.00 0.16 1.57 0.05 0.21 -2.73 116.94 115.96 1xc4 h PHE 107 Ca -0.01 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 1xc4 h PHE 107 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.16 1xc4 h PHE 107 CO -0.03 0.00 -0.08 -0.97 -0.18 0.00 0.00 178.31 177.06 1xc4 h ASN 108 N 0.00 -0.18 -0.24 2.17 -1.24 0.18 -3.29 115.58 112.98 1xc4 h ASN 108 Ca 0.02 -0.35 -0.02 0.00 0.71 0.00 0.00 56.30 56.67 1xc4 h ASN 108 Cb 0.13 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1xc4 h ASN 108 CO -0.00 0.31 0.02 0.29 -1.29 0.00 0.00 177.43 176.76 1xc4 n LYS 109 N -4.96 2.47 -1.60 6.67 5.02 -0.83 -4.97 118.16 119.96 1xc4 n LYS 109 Ca -0.08 -1.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 1xc4 n LYS 109 Cb 0.26 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1xc4 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xc4 n GLY 110 N 0.22 -4.67 0.16 0.72 0.00 -1.06 -3.82 105.19 96.73 1xc4 n GLY 110 Ca 0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 1xc4 n GLY 110 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xc4 n ILE 111 N 1.13 -0.25 0.03 -0.61 -0.00 -1.21 -1.61 119.36 116.83 1xc4 n ILE 111 Ca 0.00 1.29 -0.12 0.00 -0.00 0.00 0.00 62.75 63.92 1xc4 n ILE 111 Cb 0.00 -1.63 -0.06 0.00 -0.00 0.00 0.00 39.64 37.95 1xc4 n ILE 111 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1xc4 h ASP 112 N 0.00 -1.16 -0.28 4.38 1.82 -1.90 -1.61 116.42 117.66 1xc4 h ASP 112 Ca 0.06 0.15 0.08 0.00 -0.39 0.00 0.00 57.03 56.93 1xc4 h ASP 112 Cb 0.15 0.47 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1xc4 h ASP 112 CO -0.35 -0.42 0.25 -0.08 -1.61 0.00 0.00 179.24 177.03 1xc4 h GLU 113 N -0.50 0.00 0.33 0.28 4.81 -1.45 0.76 114.58 118.81 1xc4 h GLU 113 Ca 0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1xc4 h GLU 113 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1xc4 h GLU 113 CO -0.34 0.00 -0.16 0.35 -0.73 0.00 0.00 179.01 178.13 1xc4 h PHE 114 N 0.00 -0.41 -0.93 0.92 3.57 -0.60 -0.66 116.94 118.83 1xc4 h PHE 114 Ca 0.13 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.78 1xc4 h PHE 114 Cb 0.63 0.14 -0.10 0.00 2.79 0.00 0.00 35.95 39.41 1xc4 h PHE 114 CO 0.00 -0.26 0.54 1.88 -2.23 0.00 0.00 178.31 178.24 1xc4 h TYR 115 N -0.54 0.95 -0.44 0.41 0.05 -1.22 0.31 116.97 116.49 1xc4 h TYR 115 Ca -0.05 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1xc4 h TYR 115 Cb 0.34 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1xc4 h TYR 115 CO 0.10 0.26 0.22 0.00 -1.05 0.00 0.00 178.16 177.70 1xc4 h ALA 116 N 1.58 1.57 0.00 3.88 0.00 -0.85 0.33 119.26 125.77 1xc4 h ALA 116 Ca 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1xc4 h ALA 116 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xc4 h ALA 116 CO -0.34 0.35 0.00 -0.09 0.00 0.00 0.00 179.25 179.17 1xc4 h ARG 117 N 0.61 0.00 0.14 0.00 1.12 0.11 -2.57 114.38 113.79 1xc4 h ARG 117 Ca 0.16 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.70 1xc4 h ARG 117 Cb 0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1xc4 h ARG 117 CO -0.02 0.00 -1.64 0.00 -3.11 0.00 0.00 179.97 175.20 1xc4 h GLU 119 N 0.08 0.00 0.00 0.00 4.81 -0.38 -2.69 114.58 116.40 1xc4 h GLU 119 Ca -0.29 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1xc4 h GLU 119 Cb 2.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.42 1xc4 h GLU 119 CO 0.16 0.12 -0.88 0.87 -0.73 0.00 0.00 179.01 178.56 1xc4 h LYS 120 N 0.00 0.00 0.00 1.92 1.57 -1.50 -3.35 116.57 115.20 1xc4 h LYS 120 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xc4 h LYS 120 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xc4 h LYS 120 CO 0.02 0.08 -1.11 1.33 -0.57 0.00 0.00 179.45 179.21 1xc4 n VAL 121 N -2.82 0.01 0.00 0.50 0.24 -1.12 -5.01 118.33 110.14 1xc4 n VAL 121 Ca -0.01 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1xc4 n VAL 121 Cb 0.61 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 1xc4 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xc4 n GLY 122 N 1.46 0.58 3.35 7.63 0.00 -1.03 -3.67 105.19 113.51 1xc4 n GLY 122 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1xc4 n GLY 122 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xc4 n VAL 123 N 0.00 1.14 -0.03 1.61 0.31 -1.12 -4.77 118.33 115.47 1xc4 n VAL 123 Ca 0.00 -0.50 0.01 0.00 -0.01 0.00 0.00 64.34 63.84 1xc4 n VAL 123 Cb 0.00 -0.13 -0.10 0.00 -0.91 0.00 0.00 33.84 32.70 1xc4 n VAL 123 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xc4 n ASP 124 N 2.04 1.88 -3.74 4.52 8.00 0.34 -4.64 116.55 124.95 1xc4 n ASP 124 Ca 0.12 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 1xc4 n ASP 124 Cb 0.37 1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 42.68 1xc4 n ASP 124 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xc4 s SER 125 N -4.01 -0.10 -0.18 -2.24 1.04 -1.14 0.11 113.70 107.18 1xc4 s SER 125 Ca -0.06 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.84 1xc4 s SER 125 Cb 0.07 0.44 0.09 0.00 0.10 0.00 0.00 66.02 66.72 1xc4 s SER 125 CO 0.55 -0.84 0.30 -0.69 0.98 0.00 0.00 173.24 173.54 1xc4 s VAL 126 N -3.84 -0.47 -0.38 5.02 1.01 -0.98 -1.45 120.40 119.31 1xc4 s VAL 126 Ca 0.06 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 1xc4 s VAL 126 Cb 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1xc4 s VAL 126 CO -0.10 -0.03 0.29 -0.22 0.00 0.00 0.00 175.10 175.05 1xc4 s LEU 127 N 2.45 4.78 -1.04 3.92 0.20 -0.92 -3.67 118.68 124.40 1xc4 s LEU 127 Ca 0.05 -0.62 -0.11 0.00 0.69 0.00 0.00 54.13 54.14 1xc4 s LEU 127 Cb -0.14 -2.19 0.25 0.00 -0.43 0.00 0.00 46.19 43.68 1xc4 s LEU 127 CO -0.12 -0.36 1.06 -0.69 -0.29 0.00 0.00 176.35 175.95 1xc4 s VAL 128 N 1.77 5.75 0.00 1.68 1.01 -1.26 -2.21 120.40 127.14 1xc4 s VAL 128 Ca 0.07 -3.02 0.00 0.00 0.00 0.00 0.00 61.98 59.03 1xc4 s VAL 128 Cb -0.18 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.59 1xc4 s VAL 128 CO 0.11 -1.21 0.00 0.00 0.00 0.00 0.00 175.10 174.00 1xc4 n ALA 129 N 3.51 0.00 -0.26 5.51 0.00 -0.54 -1.59 120.51 127.14 1xc4 n ALA 129 Ca 0.23 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.88 1xc4 n ALA 129 Cb 0.42 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.21 1xc4 n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xc4 n ASP 130 N 0.00 0.00 -4.63 0.00 5.68 -1.26 -4.33 116.55 112.01 1xc4 n ASP 130 Ca 0.00 0.46 -0.43 0.00 -0.50 0.00 0.00 54.79 54.32 1xc4 n ASP 130 Cb 0.00 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 39.75 1xc4 n ASP 130 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1xc4 s VAL 131 N -3.66 3.66 0.77 2.12 1.01 -0.62 -4.98 120.40 118.70 1xc4 s VAL 131 Ca -0.02 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 1xc4 s VAL 131 Cb 0.11 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.87 1xc4 s VAL 131 CO 0.36 -0.27 1.08 -2.16 0.00 0.00 0.00 175.10 174.11 1xc4 s PRO 132 N 4.69 2.33 0.22 2.72 0.04 -1.26 -4.88 135.00 138.86 1xc4 s PRO 132 Ca 0.72 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.59 1xc4 s PRO 132 Cb -0.26 -1.93 0.30 0.00 0.04 0.00 0.00 34.50 32.65 1xc4 s PRO 132 CO 0.29 -1.51 1.79 0.28 0.04 0.00 0.00 177.00 177.90 1xc4 h VAL 133 N -1.02 0.91 0.00 -0.36 2.07 -1.93 -2.37 116.25 113.54 1xc4 h VAL 133 Ca -0.45 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1xc4 h VAL 133 Cb 1.24 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1xc4 h VAL 133 CO 0.56 0.12 0.00 -0.33 0.02 0.00 0.00 177.57 177.94 1xc4 h GLU 134 N 0.65 0.00 -0.35 1.57 3.07 -2.03 -2.97 114.58 114.52 1xc4 h GLU 134 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1xc4 h GLU 134 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1xc4 h GLU 134 CO -0.23 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.77 1xc4 n GLU 135 N -2.37 3.06 0.16 2.33 -0.58 -0.91 -4.53 120.64 117.81 1xc4 n GLU 135 Ca 0.03 -2.54 0.04 0.00 -0.42 0.00 0.00 57.16 54.27 1xc4 n GLU 135 Cb 0.29 -1.63 0.17 0.00 -0.57 0.00 0.00 31.44 29.69 1xc4 n GLU 135 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xc4 h SER 136 N 2.25 0.00 -0.01 1.62 4.64 -1.35 -3.41 113.55 117.30 1xc4 h SER 136 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xc4 h SER 136 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1xc4 h SER 136 CO 0.14 0.43 -0.00 0.00 -0.87 0.00 0.00 176.83 176.53 1xc4 n ALA 137 N -2.24 -0.00 0.27 5.18 0.00 -1.26 0.11 120.51 122.56 1xc4 n ALA 137 Ca 0.01 0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.61 1xc4 n ALA 137 Cb 0.63 0.00 0.86 0.00 0.00 0.00 0.00 19.45 20.95 1xc4 n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xc4 h PRO 138 N 0.00 0.00 0.08 0.00 0.13 -1.98 -1.60 132.00 128.63 1xc4 h PRO 138 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1xc4 h PRO 138 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1xc4 h PRO 138 CO -0.01 0.00 -0.79 0.74 -0.23 0.00 0.00 178.00 177.72 1xc4 h PHE 139 N 0.00 0.30 -0.64 1.56 -1.00 0.53 -2.07 116.94 115.62 1xc4 h PHE 139 Ca 0.03 -0.22 0.12 0.00 2.81 0.00 0.00 57.97 60.71 1xc4 h PHE 139 Cb 0.14 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 1xc4 h PHE 139 CO 0.00 1.31 0.43 -0.09 -1.61 0.00 0.00 178.31 178.35 1xc4 h ARG 140 N -0.61 0.34 0.02 1.51 2.43 -0.96 0.95 114.38 118.06 1xc4 h ARG 140 Ca -0.17 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1xc4 h ARG 140 Cb 1.45 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1xc4 h ARG 140 CO 0.04 0.22 -0.01 1.96 -1.51 0.00 0.00 179.97 180.68 1xc4 h GLN 141 N 0.35 -0.03 -0.76 0.20 4.20 -1.38 -3.00 115.11 114.69 1xc4 h GLN 141 Ca 0.31 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.16 1xc4 h GLN 141 Cb 0.72 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.41 1xc4 h GLN 141 CO -0.08 0.63 0.29 0.00 -0.67 0.00 0.00 178.83 179.00 1xc4 h ALA 142 N -0.25 1.07 -0.43 3.87 0.00 -0.76 0.56 119.26 123.32 1xc4 h ALA 142 Ca -0.00 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1xc4 h ALA 142 Cb 0.67 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1xc4 h ALA 142 CO 0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 179.25 178.84 1xc4 h ALA 143 N 1.56 0.86 -0.18 0.00 0.00 -0.96 -1.62 119.26 118.91 1xc4 h ALA 143 Ca 0.42 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1xc4 h ALA 143 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xc4 h ALA 143 CO -0.42 0.64 -0.46 -0.07 0.00 0.00 0.00 179.25 178.93 1xc4 h LEU 144 N 0.74 0.50 -0.81 0.00 3.38 -0.86 0.68 115.31 118.94 1xc4 h LEU 144 Ca 0.11 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1xc4 h LEU 144 Cb 0.71 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1xc4 h LEU 144 CO 0.05 0.89 -0.10 0.03 0.09 0.00 0.00 178.44 179.41 1xc4 h ARG 145 N 0.38 0.79 -0.84 1.13 3.08 0.31 -3.18 114.38 116.05 1xc4 h ARG 145 Ca 0.02 -0.26 -0.58 0.00 0.07 0.00 0.00 59.98 59.23 1xc4 h ARG 145 Cb 0.96 -0.07 -0.33 0.00 0.08 0.00 0.00 29.97 30.61 1xc4 h ARG 145 CO 0.08 0.86 0.08 0.72 -1.07 0.00 0.00 179.97 180.65 1xc4 n HIS 146 N -4.17 2.86 -4.04 3.04 8.25 -0.64 -4.97 115.22 115.55 1xc4 n HIS 146 Ca 0.01 -2.55 -0.42 0.00 -0.26 0.00 0.00 57.72 54.51 1xc4 n HIS 146 Cb 0.36 -0.90 0.02 0.00 1.12 0.00 0.00 29.99 30.59 1xc4 n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xc4 n ASN 147 N -0.86 -3.75 -4.13 0.41 3.02 -0.80 -4.42 115.26 104.73 1xc4 n ASN 147 Ca 0.53 -1.17 -0.18 0.00 -0.03 0.00 0.00 54.58 53.72 1xc4 n ASN 147 Cb 0.85 -1.43 -0.13 0.00 -0.61 0.00 0.00 39.78 38.46 1xc4 n ASN 147 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xc4 s VAL 148 N -3.61 1.00 -0.18 2.41 1.01 0.23 -4.88 120.40 116.38 1xc4 s VAL 148 Ca 0.42 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1xc4 s VAL 148 Cb -0.24 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1xc4 s VAL 148 CO 0.88 -0.11 0.69 0.00 0.00 0.00 0.00 175.10 176.57 1xc4 s ALA 149 N -1.01 3.53 -0.32 5.51 0.00 0.12 -3.80 121.76 125.78 1xc4 s ALA 149 Ca -0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1xc4 s ALA 149 Cb -0.08 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1xc4 s ALA 149 CO 0.01 -0.56 1.30 -2.14 0.00 0.00 0.00 175.76 174.37 1xc4 s PRO 150 N 1.92 3.88 -0.07 0.00 0.02 -1.26 -2.33 135.00 137.16 1xc4 s PRO 150 Ca 0.32 1.19 -0.03 0.00 0.02 0.00 0.00 61.00 62.50 1xc4 s PRO 150 Cb -0.16 -3.89 -0.04 0.00 0.02 0.00 0.00 34.50 30.43 1xc4 s PRO 150 CO 0.11 -1.16 0.08 0.42 -0.33 0.00 0.00 177.00 176.13 1xc4 s ILE 151 N 4.45 4.93 0.23 2.83 -1.09 -1.24 -2.61 121.20 128.69 1xc4 s ILE 151 Ca 0.56 -0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.93 1xc4 s ILE 151 Cb -0.16 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.51 1xc4 s ILE 151 CO 0.24 0.53 -0.08 -0.36 -1.23 0.00 0.00 174.94 174.04 1xc4 s PHE 152 N -1.04 1.70 -0.17 3.97 0.08 -1.26 -4.48 117.98 116.77 1xc4 s PHE 152 Ca 0.17 -0.72 -0.05 0.00 0.12 0.00 0.00 56.93 56.45 1xc4 s PHE 152 Cb -0.12 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1xc4 s PHE 152 CO 0.07 0.20 -0.00 0.42 -0.10 0.00 0.00 175.22 175.81 1xc4 s ILE 153 N -3.14 4.21 -0.42 0.64 1.01 -1.26 -2.57 121.20 119.66 1xc4 s ILE 153 Ca 0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1xc4 s ILE 153 Cb 0.03 -2.87 0.09 0.00 0.01 0.00 0.00 42.46 39.72 1xc4 s ILE 153 CO 0.08 0.48 0.25 0.00 0.00 0.00 0.00 174.94 175.75 1xc4 s PRO 155 N 1.33 2.35 0.64 0.00 0.04 -1.26 -0.57 135.00 137.53 1xc4 s PRO 155 Ca 0.04 1.72 0.35 0.00 0.04 0.00 0.00 61.00 63.15 1xc4 s PRO 155 Cb -0.23 -1.86 1.93 0.00 0.04 0.00 0.00 34.50 34.37 1xc4 s PRO 155 CO -0.00 -1.66 2.15 -1.00 0.04 0.00 0.00 177.00 176.52 1xc4 h PRO 156 N -0.07 0.00 -0.70 0.56 0.13 -1.77 -2.22 132.00 127.93 1xc4 h PRO 156 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 1xc4 h PRO 156 Cb 1.29 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 1xc4 h PRO 156 CO 0.51 0.00 -0.01 0.27 -0.23 0.00 0.00 178.00 178.54 1xc4 n ASN 157 N -3.28 4.76 -4.70 1.44 6.94 -1.26 -1.91 115.26 117.24 1xc4 n ASN 157 Ca -0.01 -3.77 -0.42 0.00 -0.02 0.00 0.00 54.58 50.36 1xc4 n ASN 157 Cb 0.25 -0.65 -0.03 0.00 -2.36 0.00 0.00 39.78 36.99 1xc4 n ASN 157 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xc4 s ALA 158 N -3.53 3.40 0.66 -2.53 0.00 -0.84 -4.77 121.76 114.16 1xc4 s ALA 158 Ca 0.53 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 1xc4 s ALA 158 Cb 0.44 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 1xc4 s ALA 158 CO 0.02 -0.51 1.05 0.16 0.00 0.00 0.00 175.76 176.47 1xc4 s ASP 159 N 1.19 5.61 0.40 0.00 3.84 -1.26 -4.77 116.67 121.68 1xc4 s ASP 159 Ca 0.57 1.63 0.21 0.00 -0.00 0.00 0.00 52.55 54.97 1xc4 s ASP 159 Cb -0.27 -2.50 1.19 0.00 -1.38 0.00 0.00 42.92 39.96 1xc4 s ASP 159 CO 0.27 -1.28 1.71 -0.78 -0.00 0.00 0.00 175.17 175.08 1xc4 h ASP 160 N -0.36 0.40 0.52 2.11 3.58 -2.00 -0.87 116.42 119.81 1xc4 h ASP 160 Ca -0.45 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 1xc4 h ASP 160 Cb 1.21 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1xc4 h ASP 160 CO 0.58 -0.03 -0.29 0.44 -2.88 0.00 0.00 179.24 177.05 1xc4 h ASP 161 N 0.29 -0.72 -0.75 2.28 3.32 -2.00 -2.31 116.42 116.52 1xc4 h ASP 161 Ca 0.69 0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.94 1xc4 h ASP 161 Cb 1.85 0.20 -0.12 0.00 0.22 0.00 0.00 39.33 41.49 1xc4 h ASP 161 CO -0.39 -0.46 0.15 0.25 -1.72 0.00 0.00 179.24 177.06 1xc4 h LEU 162 N -0.75 -0.07 -0.41 1.55 5.85 -1.55 0.24 115.31 120.17 1xc4 h LEU 162 Ca -0.07 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1xc4 h LEU 162 Cb 0.59 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 1xc4 h LEU 162 CO 0.09 -0.08 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.89 1xc4 h LEU 163 N 0.22 -0.51 -0.87 2.25 3.38 -1.19 -0.54 115.31 118.06 1xc4 h LEU 163 Ca 0.43 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.57 1xc4 h LEU 163 Cb 0.75 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1xc4 h LEU 163 CO -0.56 -0.18 0.56 0.03 0.09 0.00 0.00 178.44 178.39 1xc4 h ARG 164 N -0.05 1.06 0.02 1.13 3.08 -0.41 -0.37 114.38 118.84 1xc4 h ARG 164 Ca 0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1xc4 h ARG 164 Cb 0.36 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1xc4 h ARG 164 CO -0.45 0.70 -0.01 1.96 -1.07 0.00 0.00 179.97 181.10 1xc4 h GLN 165 N 1.09 -0.03 -0.79 0.04 4.20 -0.23 -2.88 115.11 116.50 1xc4 h GLN 165 Ca 0.35 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.18 1xc4 h GLN 165 Cb 0.00 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 27.66 1xc4 h GLN 165 CO -0.12 -0.02 -0.42 0.82 -0.67 0.00 0.00 178.83 178.43 1xc4 h ILE 166 N -0.03 0.06 -0.69 2.54 2.04 -1.06 -1.70 117.51 118.67 1xc4 h ILE 166 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1xc4 h ILE 166 Cb 0.03 0.06 -0.13 0.00 -0.74 0.00 0.00 36.82 36.04 1xc4 h ILE 166 CO 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.93 1xc4 h ALA 167 N 0.98 0.34 -0.07 1.87 0.00 -1.07 -1.13 119.26 120.18 1xc4 h ALA 167 Ca 0.25 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 55.32 1xc4 h ALA 167 Cb 0.56 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xc4 h ALA 167 CO -0.83 -0.48 -0.33 0.66 0.00 0.00 0.00 179.25 178.26 1xc4 h SER 168 N -0.04 0.41 0.11 0.00 4.64 -1.11 -3.33 113.55 114.22 1xc4 h SER 168 Ca 0.32 -0.65 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1xc4 h SER 168 Cb 0.53 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1xc4 h SER 168 CO -0.73 0.99 -0.17 1.88 -0.87 0.00 0.00 176.83 177.93 1xc4 h TYR 169 N -0.14 0.15 -3.03 4.77 0.05 -0.97 -3.45 116.97 114.35 1xc4 h TYR 169 Ca -0.02 -0.02 -0.60 0.00 0.05 0.00 0.00 58.73 58.14 1xc4 h TYR 169 Cb 0.98 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.63 1xc4 h TYR 169 CO 0.13 0.32 -0.27 0.20 -1.05 0.00 0.00 178.16 177.48 1xc4 s GLY 170 N -4.12 2.34 0.41 3.88 0.00 -0.46 -4.79 107.32 104.59 1xc4 s GLY 170 Ca -0.05 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 44.35 1xc4 s GLY 170 CO 0.72 -0.15 0.04 0.50 0.00 0.00 0.00 173.10 174.22 1xc4 s ARG 171 N -1.68 2.02 3.08 2.90 1.81 -1.07 -4.44 118.95 121.56 1xc4 s ARG 171 Ca 0.29 -2.06 0.00 0.00 -1.72 0.00 0.00 55.73 52.24 1xc4 s ARG 171 Cb -0.14 -1.71 0.00 0.00 -0.45 0.00 0.00 34.95 32.65 1xc4 s ARG 171 CO 0.16 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.12 1xc4 n GLY 172 N -1.03 1.74 3.47 -3.53 0.00 -1.26 -4.48 105.19 100.09 1xc4 n GLY 172 Ca -0.05 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1xc4 n GLY 172 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xc4 s TYR 173 N 0.00 1.79 -0.08 1.61 -0.85 -1.26 -4.03 117.35 114.54 1xc4 s TYR 173 Ca 0.00 -1.21 0.02 0.00 -0.52 0.00 0.00 57.07 55.36 1xc4 s TYR 173 Cb 0.00 -1.14 0.01 0.00 0.38 0.00 0.00 41.96 41.22 1xc4 s TYR 173 CO 0.00 -0.25 -0.12 0.99 -1.52 0.00 0.00 175.55 174.65 1xc4 s THR 174 N -3.31 1.17 -0.66 -3.49 2.01 0.15 -4.71 115.64 106.80 1xc4 s THR 174 Ca 0.29 -0.47 -0.23 0.00 0.31 0.00 0.00 61.69 61.59 1xc4 s THR 174 Cb 0.05 -1.08 0.07 0.00 0.01 0.00 0.00 72.50 71.54 1xc4 s THR 174 CO 0.15 0.37 0.97 -0.47 -0.69 0.00 0.00 174.62 174.95 1xc4 s TYR 175 N 0.85 2.67 -0.34 4.92 6.14 -1.06 0.11 117.35 130.64 1xc4 s TYR 175 Ca -0.11 -0.54 -0.24 0.00 0.64 0.00 0.00 57.07 56.82 1xc4 s TYR 175 Cb -0.15 -4.30 0.01 0.00 0.42 0.00 0.00 41.96 37.94 1xc4 s TYR 175 CO 0.01 -1.65 0.82 -1.17 0.64 0.00 0.00 175.55 174.20 1xc4 s LEU 176 N 4.08 4.08 -0.01 6.97 2.96 -0.93 -0.86 118.68 134.97 1xc4 s LEU 176 Ca 0.22 0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 54.38 1xc4 s LEU 176 Cb -0.17 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 1xc4 s LEU 176 CO 0.10 -0.71 1.02 -0.22 -1.32 0.00 0.00 176.35 175.22 1xc4 s LEU 177 N 3.12 4.35 0.68 -0.68 2.96 0.27 -2.15 118.68 127.23 1xc4 s LEU 177 Ca 0.33 1.69 -0.12 0.00 -0.22 0.00 0.00 54.13 55.81 1xc4 s LEU 177 Cb -0.13 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1xc4 s LEU 177 CO 0.15 -0.32 1.07 -0.94 -1.32 0.00 0.00 176.35 174.99 1xc4 s SER 178 N 1.04 5.33 0.00 3.68 1.04 -1.16 -2.80 113.70 120.83 1xc4 s SER 178 Ca 0.52 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.68 1xc4 s SER 178 Cb -0.22 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1xc4 s SER 178 CO 0.27 -1.47 0.26 -2.11 0.98 0.00 0.00 173.24 171.17 1xc4 n ARG 179 N -2.86 0.41 0.00 4.02 -4.01 -1.26 -1.11 116.66 111.85 1xc4 n ARG 179 Ca 0.08 0.00 0.05 0.00 -1.04 0.00 0.00 57.85 56.94 1xc4 n ARG 179 Cb 0.53 -1.14 -0.04 0.00 -3.04 0.00 0.00 32.46 28.77 1xc4 n ARG 179 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1xc4 n ALA 180 N 0.06 3.10 -0.45 2.89 0.00 -1.26 -5.01 120.51 119.84 1xc4 n ALA 180 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.13 1xc4 n ALA 180 Cb 0.07 -0.34 0.02 0.00 0.00 0.00 0.00 19.45 19.19 1xc4 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc4 n GLY 181 N 1.12 1.63 3.77 0.00 0.00 -0.27 -5.02 105.19 106.42 1xc4 n GLY 181 Ca 0.03 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1xc4 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xc4 s ALA 189 N -0.91 3.36 -0.30 4.61 0.00 -1.26 -4.90 121.76 122.35 1xc4 s ALA 189 Ca 0.03 1.30 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 1xc4 s ALA 189 Cb 0.03 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1xc4 s ALA 189 CO 0.00 -0.83 1.11 0.00 0.00 0.00 0.00 175.76 176.04 1xc4 s ALA 190 N -1.21 3.51 0.41 0.00 0.00 -1.26 -4.11 121.76 119.10 1xc4 s ALA 190 Ca 0.55 0.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.29 1xc4 s ALA 190 Cb -0.40 -3.67 -0.11 0.00 0.00 0.00 0.00 23.12 18.94 1xc4 s ALA 190 CO 0.52 -1.47 0.95 -0.51 0.00 0.00 0.00 175.76 175.26 1xc4 s LEU 191 N 3.69 4.03 0.23 0.00 1.43 -0.80 -4.95 118.68 122.31 1xc4 s LEU 191 Ca 0.47 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 55.00 1xc4 s LEU 191 Cb -0.13 -4.41 -0.14 0.00 0.03 0.00 0.00 46.19 41.54 1xc4 s LEU 191 CO 0.15 -0.31 1.39 -0.81 0.23 0.00 0.00 176.35 177.00 1xc4 n PRO 192 N -0.37 1.96 0.00 1.29 -0.04 -1.26 -4.75 135.00 131.82 1xc4 n PRO 192 Ca 0.06 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1xc4 n PRO 192 Cb 0.53 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1xc4 n PRO 192 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xc4 n LEU 193 N 2.18 0.00 -0.09 1.53 4.77 -1.26 -1.50 117.00 122.62 1xc4 n LEU 193 Ca 0.12 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.89 1xc4 n LEU 193 Cb 0.31 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1xc4 n LEU 193 CO 0.62 0.00 -1.11 0.59 -1.33 0.00 0.00 177.39 176.16 1xc4 n ASN 194 N -0.48 2.01 -0.21 -1.43 5.03 -1.26 -3.86 115.26 115.06 1xc4 n ASN 194 Ca 0.00 0.11 0.01 0.00 0.87 0.00 0.00 54.58 55.57 1xc4 n ASN 194 Cb 0.00 -0.68 0.12 0.00 -1.02 0.00 0.00 39.78 38.20 1xc4 n ASN 194 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 1xc4 h HIS 195 N -0.26 0.38 0.68 3.10 2.76 -1.62 -2.31 115.15 117.88 1xc4 h HIS 195 Ca -0.53 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.64 1xc4 h HIS 195 Cb 1.82 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.71 1xc4 h HIS 195 CO 0.03 0.07 -0.41 -0.07 -1.30 0.00 0.00 177.93 176.25 1xc4 h LEU 196 N 0.39 -1.04 -0.95 0.26 -0.00 -1.75 0.27 115.31 112.49 1xc4 h LEU 196 Ca 0.33 0.06 0.21 0.00 -0.00 0.00 0.00 57.88 58.47 1xc4 h LEU 196 Cb 0.43 0.30 -0.11 0.00 -0.00 0.00 0.00 40.66 41.28 1xc4 h LEU 196 CO -0.34 -0.64 0.52 0.58 -0.00 0.00 0.00 178.44 178.56 1xc4 h VAL 197 N -1.03 0.60 0.29 1.22 2.07 -1.62 0.07 116.25 117.85 1xc4 h VAL 197 Ca -0.09 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1xc4 h VAL 197 Cb 0.83 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1xc4 h VAL 197 CO 0.09 0.11 -0.14 0.00 0.02 0.00 0.00 177.57 177.65 1xc4 h ALA 198 N 1.67 -0.39 0.00 1.67 0.00 -1.05 -0.48 119.26 120.69 1xc4 h ALA 198 Ca 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1xc4 h ALA 198 Cb 0.99 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xc4 h ALA 198 CO -0.44 -0.56 0.16 1.63 0.00 0.00 0.00 179.25 180.04 1xc4 n LYS 199 N -5.13 0.11 -0.11 0.00 4.76 0.91 -0.42 118.16 118.29 1xc4 n LYS 199 Ca -0.09 0.59 -0.23 0.00 -2.87 0.00 0.00 58.31 55.70 1xc4 n LYS 199 Cb 0.25 -2.00 -0.11 0.00 -1.84 0.00 0.00 35.03 31.33 1xc4 n LYS 199 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xc4 n LEU 200 N -2.09 1.88 -0.34 -0.35 4.77 -0.14 -3.13 117.00 117.59 1xc4 n LEU 200 Ca -0.01 0.41 0.27 0.00 -0.03 0.00 0.00 56.01 56.64 1xc4 n LEU 200 Cb 0.18 -0.94 0.57 0.00 -2.33 0.00 0.00 43.42 40.90 1xc4 n LEU 200 CO 0.07 0.33 1.24 0.11 -1.33 0.00 0.00 177.39 177.81 1xc4 h LYS 201 N -0.99 0.27 0.41 3.23 1.57 0.93 -0.57 116.57 121.42 1xc4 h LYS 201 Ca -0.41 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1xc4 h LYS 201 Cb 1.37 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1xc4 h LYS 201 CO -0.25 0.18 -0.20 1.49 -0.57 0.00 0.00 179.45 180.11 1xc4 h GLU 202 N 0.28 -0.53 -1.35 3.15 4.81 -0.86 -3.27 114.58 116.81 1xc4 h GLU 202 Ca 0.62 0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.65 1xc4 h GLU 202 Cb 1.78 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 31.16 1xc4 h GLU 202 CO -0.26 -0.22 0.31 0.66 -0.73 0.00 0.00 179.01 178.76 1xc4 n TYR 203 N -5.18 1.24 -4.03 0.92 4.01 -0.31 -4.88 117.16 108.92 1xc4 n TYR 203 Ca -0.09 -1.47 -0.32 0.00 -0.16 0.00 0.00 57.90 55.86 1xc4 n TYR 203 Cb 0.29 -0.73 -0.07 0.00 -0.31 0.00 0.00 39.34 38.52 1xc4 n TYR 203 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xc4 n ASN 204 N 0.26 -0.55 -4.85 7.72 4.13 -0.66 -4.62 115.26 116.69 1xc4 n ASN 204 Ca 0.24 -1.05 -0.32 0.00 1.68 0.00 0.00 54.58 55.13 1xc4 n ASN 204 Cb 0.73 -1.33 -0.03 0.00 -1.54 0.00 0.00 39.78 37.61 1xc4 n ASN 204 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xc4 s ALA 205 N -3.42 3.09 0.72 5.41 0.00 -1.01 -4.88 121.76 121.68 1xc4 s ALA 205 Ca 0.41 0.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.33 1xc4 s ALA 205 Cb -0.24 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1xc4 s ALA 205 CO 0.85 -0.25 0.80 0.00 0.00 0.00 0.00 175.76 177.17 1xc4 n ALA 206 N -1.64 -0.72 -1.66 0.00 0.00 -1.26 -4.80 120.51 110.43 1xc4 n ALA 206 Ca 0.06 -0.21 -0.48 0.00 0.00 0.00 0.00 53.44 52.82 1xc4 n ALA 206 Cb 0.54 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.93 1xc4 n ALA 206 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xc4 n PRO 207 N -1.45 1.96 -2.83 0.00 -0.02 -1.26 -4.10 135.00 127.31 1xc4 n PRO 207 Ca 0.12 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1xc4 n PRO 207 Cb 0.50 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1xc4 n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xc4 s PRO 208 N 1.47 4.46 -0.33 0.52 0.04 -1.26 0.29 135.00 140.18 1xc4 s PRO 208 Ca 0.83 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 1xc4 s PRO 208 Cb -0.74 -3.49 0.04 0.00 0.04 0.00 0.00 34.50 30.35 1xc4 s PRO 208 CO 0.43 -0.12 0.09 -0.51 0.04 0.00 0.00 177.00 176.92 1xc4 s LEU 209 N 1.33 4.25 0.12 -3.56 1.43 0.31 -0.17 118.68 122.39 1xc4 s LEU 209 Ca 0.45 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.06 1xc4 s LEU 209 Cb -0.19 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 1xc4 s LEU 209 CO 0.21 -0.32 1.09 -1.58 0.23 0.00 0.00 176.35 175.98 1xc4 s GLN 210 N 1.37 4.56 0.21 1.70 0.74 0.21 -2.20 119.66 126.24 1xc4 s GLN 210 Ca -0.02 1.66 0.01 0.00 0.05 0.00 0.00 55.36 57.07 1xc4 s GLN 210 Cb -0.20 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 1xc4 s GLN 210 CO 0.02 -0.01 0.04 0.20 -0.55 0.00 0.00 175.29 174.99 1xc4 s GLY 211 N 0.35 1.43 0.00 2.59 0.00 -0.92 -1.64 107.32 109.13 1xc4 s GLY 211 Ca 0.52 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1xc4 s GLY 211 CO 0.32 -1.55 0.00 0.33 0.00 0.00 0.00 173.10 172.20 1xc4 n PHE 212 N -0.33 0.00 -1.70 1.90 7.35 -1.26 -3.00 117.46 120.41 1xc4 n PHE 212 Ca -0.04 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.55 1xc4 n PHE 212 Cb 0.64 -0.70 -0.03 0.00 0.35 0.00 0.00 39.48 39.75 1xc4 n PHE 212 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xc4 n GLY 213 N 1.94 0.60 3.06 7.13 0.00 -1.26 -4.72 105.19 111.95 1xc4 n GLY 213 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1xc4 n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xc4 s ILE 214 N -2.43 3.36 -0.23 -0.61 1.01 -1.26 -4.87 121.20 116.17 1xc4 s ILE 214 Ca 0.00 -2.92 0.15 0.00 0.00 0.00 0.00 60.65 57.88 1xc4 s ILE 214 Cb 0.00 -3.24 0.46 0.00 0.01 0.00 0.00 42.46 39.69 1xc4 s ILE 214 CO 0.00 -0.83 1.17 -1.54 0.00 0.00 0.00 174.94 173.74 1xc4 n SER 215 N 3.55 2.83 -3.72 3.58 3.41 -1.26 -4.17 113.62 117.84 1xc4 n SER 215 Ca 0.06 -3.09 -0.14 0.00 -0.26 0.00 0.00 58.87 55.45 1xc4 n SER 215 Cb 0.37 -0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.82 1xc4 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xc4 s ALA 216 N -3.08 -1.04 0.47 7.33 0.00 -1.26 -4.97 121.76 119.21 1xc4 s ALA 216 Ca 0.40 0.96 0.20 0.00 0.00 0.00 0.00 51.96 53.52 1xc4 s ALA 216 Cb 0.38 -0.42 1.19 0.00 0.00 0.00 0.00 23.12 24.26 1xc4 s ALA 216 CO -0.03 -0.23 1.93 -1.35 0.00 0.00 0.00 175.76 176.08 1xc4 h PRO 217 N 4.81 0.25 0.06 0.00 0.11 -1.89 -1.52 132.00 133.83 1xc4 h PRO 217 Ca -0.28 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.83 1xc4 h PRO 217 Cb 1.18 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1xc4 h PRO 217 CO 0.30 0.17 -0.31 -0.44 -0.21 0.00 0.00 178.00 177.50 1xc4 h ASP 218 N 0.26 -0.95 -0.45 -2.05 5.19 -1.96 0.65 116.42 117.11 1xc4 h ASP 218 Ca 0.35 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.83 1xc4 h ASP 218 Cb 1.00 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 40.83 1xc4 h ASP 218 CO -0.08 -0.33 0.20 1.56 -3.12 0.00 0.00 179.24 177.47 1xc4 h GLN 219 N -0.44 0.71 -0.26 3.56 4.20 -1.82 -0.70 115.11 120.36 1xc4 h GLN 219 Ca -0.00 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1xc4 h GLN 219 Cb 0.45 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1xc4 h GLN 219 CO -0.17 0.59 -0.13 0.28 -0.67 0.00 0.00 178.83 178.72 1xc4 h VAL 220 N 0.70 1.30 -0.86 -0.54 2.07 -1.02 0.28 116.25 118.19 1xc4 h VAL 220 Ca 0.17 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1xc4 h VAL 220 Cb 0.14 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1xc4 h VAL 220 CO -0.02 0.38 0.53 0.50 0.02 0.00 0.00 177.57 178.98 1xc4 h LYS 221 N 0.27 0.93 -0.04 1.57 3.11 0.79 -2.15 116.57 121.06 1xc4 h LYS 221 Ca 0.06 -0.06 -0.17 0.00 -2.81 0.00 0.00 60.65 57.67 1xc4 h LYS 221 Cb 0.64 -0.21 0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1xc4 h LYS 221 CO 0.04 0.62 -0.62 0.00 -2.81 0.00 0.00 179.45 176.67 1xc4 h ALA 222 N 1.41 0.13 -0.57 5.00 0.00 -0.99 -2.79 119.26 121.46 1xc4 h ALA 222 Ca 0.38 -0.56 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1xc4 h ALA 222 Cb 0.18 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1xc4 h ALA 222 CO -0.18 0.41 -0.26 0.00 0.00 0.00 0.00 179.25 179.23 1xc4 h ALA 223 N 0.39 0.13 -0.61 0.00 0.00 -0.02 -0.18 119.26 118.95 1xc4 h ALA 223 Ca -0.07 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1xc4 h ALA 223 Cb 1.30 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 1xc4 h ALA 223 CO 0.12 -0.58 0.03 0.82 0.00 0.00 0.00 179.25 179.65 1xc4 h ILE 224 N -0.11 1.26 -0.87 0.00 5.03 -1.45 -2.67 117.51 118.70 1xc4 h ILE 224 Ca 0.25 -1.11 0.01 0.00 -0.12 0.00 0.00 64.86 63.89 1xc4 h ILE 224 Cb 0.51 0.76 -0.04 0.00 -3.03 0.00 0.00 36.82 35.02 1xc4 h ILE 224 CO -0.64 0.41 0.58 0.44 -0.68 0.00 0.00 178.15 178.26 1xc4 h ASP 225 N 0.97 1.00 0.10 1.72 3.32 -0.87 0.16 116.42 122.81 1xc4 h ASP 225 Ca 0.18 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xc4 h ASP 225 Cb 0.52 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1xc4 h ASP 225 CO 0.02 0.72 0.00 0.00 -1.72 0.00 0.00 179.24 178.26 1xc4 n ALA 226 N -2.40 1.36 0.00 3.45 0.00 -0.22 -4.80 120.51 117.90 1xc4 n ALA 226 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xc4 n ALA 226 Cb 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1xc4 n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc4 n GLY 227 N -0.93 0.61 3.78 0.00 0.00 0.56 -4.55 105.19 104.65 1xc4 n GLY 227 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1xc4 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xc4 s ALA 228 N -2.00 2.54 -2.18 4.61 0.00 -1.11 -4.94 121.76 118.68 1xc4 s ALA 228 Ca 0.00 0.53 0.28 0.00 0.00 0.00 0.00 51.96 52.77 1xc4 s ALA 228 Cb 0.00 -3.30 1.10 0.00 0.00 0.00 0.00 23.12 20.92 1xc4 s ALA 228 CO 0.00 -1.15 1.77 0.00 0.00 0.00 0.00 175.76 176.38 1xc4 n ALA 229 N -2.27 2.72 0.00 0.00 0.00 0.76 -4.48 120.51 117.23 1xc4 n ALA 229 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1xc4 n ALA 229 Cb 0.52 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1xc4 n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc4 n GLY 230 N 1.20 2.41 3.58 0.00 0.00 -1.22 -1.09 105.19 110.08 1xc4 n GLY 230 Ca 0.18 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 1xc4 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xc4 s ALA 231 N -2.00 3.01 -0.03 4.61 0.00 0.30 -0.62 121.76 127.03 1xc4 s ALA 231 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.25 1xc4 s ALA 231 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1xc4 s ALA 231 CO 0.00 0.27 -0.10 0.42 0.00 0.00 0.00 175.76 176.35 1xc4 s ILE 232 N -2.39 0.87 0.03 0.00 1.01 -0.65 0.89 121.20 120.95 1xc4 s ILE 232 Ca 0.31 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1xc4 s ILE 232 Cb -0.06 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 1xc4 s ILE 232 CO 0.18 0.27 -0.06 -0.55 0.00 0.00 0.00 174.94 174.77 1xc4 s SER 233 N 0.18 0.68 0.00 3.58 0.15 -1.19 -4.15 113.70 112.95 1xc4 s SER 233 Ca -0.03 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1xc4 s SER 233 Cb -0.09 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1xc4 s SER 233 CO 0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1xc4 n GLY 234 N 1.77 0.05 0.48 9.45 0.00 -1.26 0.87 105.19 116.55 1xc4 n GLY 234 Ca -0.21 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 1xc4 n GLY 234 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xc4 h SER 235 N 0.00 -1.30 -0.72 1.61 0.87 -1.94 -1.25 113.55 110.82 1xc4 h SER 235 Ca 0.00 0.11 0.16 0.00 -1.23 0.00 0.00 61.79 60.82 1xc4 h SER 235 Cb 0.00 0.43 -0.11 0.00 -0.44 0.00 0.00 62.40 62.28 1xc4 h SER 235 CO 0.00 -0.63 0.17 0.00 -0.53 0.00 0.00 176.83 175.83 1xc4 h ALA 236 N -0.73 0.92 -0.61 6.23 0.00 -1.93 0.45 119.26 123.59 1xc4 h ALA 236 Ca -0.05 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1xc4 h ALA 236 Cb 0.83 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1xc4 h ALA 236 CO -0.07 -0.34 0.40 0.82 0.00 0.00 0.00 179.25 180.07 1xc4 h ILE 237 N 0.26 0.99 0.16 0.00 1.08 -1.80 -1.31 117.51 116.89 1xc4 h ILE 237 Ca 0.41 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.67 1xc4 h ILE 237 Cb 0.69 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1xc4 h ILE 237 CO -0.51 0.11 -0.08 0.58 -0.69 0.00 0.00 178.15 177.56 1xc4 h VAL 238 N 0.58 0.80 -0.69 1.67 2.07 0.99 -2.90 116.25 118.78 1xc4 h VAL 238 Ca 0.26 -1.15 0.15 0.00 0.82 0.00 0.00 66.70 66.78 1xc4 h VAL 238 Cb 0.29 1.36 -0.12 0.00 -1.52 0.00 0.00 31.29 31.29 1xc4 h VAL 238 CO -0.08 0.21 -0.05 0.11 0.02 0.00 0.00 177.57 177.79 1xc4 h LYS 239 N -0.89 0.07 -0.46 1.57 1.79 -0.50 0.15 116.57 118.31 1xc4 h LYS 239 Ca -0.02 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1xc4 h LYS 239 Cb 0.51 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1xc4 h LYS 239 CO 0.04 0.05 0.29 0.82 -1.08 0.00 0.00 179.45 179.56 1xc4 h ILE 240 N 0.07 1.13 -0.16 1.86 2.04 -1.34 0.21 117.51 121.32 1xc4 h ILE 240 Ca 0.36 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1xc4 h ILE 240 Cb 0.59 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1xc4 h ILE 240 CO -0.63 0.13 0.11 0.40 0.00 0.00 0.00 178.15 178.16 1xc4 h ILE 241 N 0.61 1.04 0.36 -0.67 2.04 -0.89 -2.25 117.51 117.76 1xc4 h ILE 241 Ca 0.17 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1xc4 h ILE 241 Cb -0.04 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1xc4 h ILE 241 CO -0.03 0.04 -0.17 -0.08 0.00 0.00 0.00 178.15 177.90 1xc4 h GLU 242 N 0.22 -0.47 0.00 2.37 4.81 0.84 -0.68 114.58 121.68 1xc4 h GLU 242 Ca 0.06 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xc4 h GLU 242 Cb -0.02 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1xc4 h GLU 242 CO -0.01 -0.15 0.00 1.96 -0.73 0.00 0.00 179.01 180.08 1xc4 h GLN 243 N -0.94 0.00 0.00 1.92 4.20 -0.84 -2.56 115.11 116.89 1xc4 h GLN 243 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1xc4 h GLN 243 Cb 0.53 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 1xc4 h GLN 243 CO 0.08 0.00 -0.40 0.72 -0.67 0.00 0.00 178.83 178.57 1xc4 n HIS 244 N -2.87 0.00 0.98 2.96 8.25 -0.86 -4.76 115.22 118.92 1xc4 n HIS 244 Ca -0.02 -1.16 0.00 0.00 -0.26 0.00 0.00 57.72 56.28 1xc4 n HIS 244 Cb 0.10 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1xc4 n HIS 244 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1xc4 n ILE 245 N -1.00 0.00 0.00 1.59 3.06 -0.27 -1.33 119.36 121.41 1xc4 n ILE 245 Ca 0.16 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.41 1xc4 n ILE 245 Cb 0.72 -0.24 0.00 0.00 0.54 0.00 0.00 39.64 40.66 1xc4 n ILE 245 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1xc4 n ASN 246 N -0.22 3.02 -3.86 9.51 3.02 -1.26 -4.88 115.26 120.60 1xc4 n ASN 246 Ca 0.00 -0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.19 1xc4 n ASN 246 Cb 0.06 0.70 -0.08 0.00 -0.61 0.00 0.00 39.78 39.85 1xc4 n ASN 246 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xc4 n GLU 247 N -1.00 2.55 -0.33 3.52 4.71 -0.45 -4.94 120.64 124.72 1xc4 n GLU 247 Ca 0.00 -4.55 0.19 0.00 -0.01 0.00 0.00 57.16 52.80 1xc4 n GLU 247 Cb 0.00 -2.35 0.40 0.00 -1.01 0.00 0.00 31.44 28.49 1xc4 n GLU 247 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1xc4 h PRO 248 N 5.27 0.34 0.12 3.49 0.11 -1.90 1.30 132.00 140.73 1xc4 h PRO 248 Ca 0.17 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.99 1xc4 h PRO 248 Cb 0.73 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.77 1xc4 h PRO 248 CO 0.86 0.23 -1.21 1.49 -0.21 0.00 0.00 178.00 179.15 1xc4 h GLU 249 N 0.35 0.31 -0.18 1.05 4.81 -1.91 -3.25 114.58 115.75 1xc4 h GLU 249 Ca 0.66 -0.49 -0.22 0.00 -0.13 0.00 0.00 59.36 59.18 1xc4 h GLU 249 Cb 1.41 0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.98 1xc4 h GLU 249 CO -0.59 1.22 -0.73 0.87 -0.73 0.00 0.00 179.01 179.05 1xc4 h LYS 250 N 0.10 0.82 -0.97 1.92 1.57 -1.21 -3.22 116.57 115.58 1xc4 h LYS 250 Ca -0.13 -0.63 0.18 0.00 -1.87 0.00 0.00 60.65 58.19 1xc4 h LYS 250 Cb 1.93 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 34.25 1xc4 h LYS 250 CO 0.20 1.25 0.57 1.98 -0.57 0.00 0.00 179.45 182.88 1xc4 h MET 251 N 0.57 0.73 -0.40 3.15 4.05 0.15 -1.63 114.93 121.54 1xc4 h MET 251 Ca -0.04 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.20 1xc4 h MET 251 Cb 1.36 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 1xc4 h MET 251 CO 0.15 0.48 -0.28 -0.07 0.23 0.00 0.00 176.91 177.42 1xc4 h LEU 252 N 0.75 0.88 -0.36 3.39 3.38 -1.58 -2.48 115.31 119.29 1xc4 h LEU 252 Ca 0.55 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1xc4 h LEU 252 Cb 0.82 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1xc4 h LEU 252 CO -0.37 1.10 0.19 0.00 0.09 0.00 0.00 178.44 179.45 1xc4 h ALA 253 N 0.95 0.46 -0.73 1.53 0.00 -1.34 1.05 119.26 121.18 1xc4 h ALA 253 Ca 0.08 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xc4 h ALA 253 Cb 0.83 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1xc4 h ALA 253 CO 0.07 -0.01 0.45 0.00 0.00 0.00 0.00 179.25 179.77 1xc4 h ALA 254 N 1.05 0.97 -0.39 0.00 0.00 -1.38 0.81 119.26 120.32 1xc4 h ALA 254 Ca 0.13 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1xc4 h ALA 254 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xc4 h ALA 254 CO -0.02 0.21 -0.34 -0.07 0.00 0.00 0.00 179.25 179.03 1xc4 h LEU 255 N 0.86 0.95 -1.32 0.00 3.38 -0.92 0.24 115.31 118.49 1xc4 h LEU 255 Ca 0.30 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1xc4 h LEU 255 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1xc4 h LEU 255 CO -0.13 1.19 -0.04 0.11 0.09 0.00 0.00 178.44 179.66 1xc4 h LYS 256 N 0.75 0.41 0.00 1.13 1.57 0.25 -1.31 116.57 119.36 1xc4 h LYS 256 Ca 0.07 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1xc4 h LYS 256 Cb 0.92 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1xc4 h LYS 256 CO 0.08 0.47 -0.76 0.28 -0.57 0.00 0.00 179.45 178.95 1xc4 h VAL 257 N 0.40 1.39 -0.11 0.50 2.07 0.97 -3.34 116.25 118.12 1xc4 h VAL 257 Ca 0.09 -2.75 -0.04 0.00 0.82 0.00 0.00 66.70 64.81 1xc4 h VAL 257 Cb 0.32 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1xc4 h VAL 257 CO 0.01 0.74 -0.10 0.15 0.02 0.00 0.00 177.57 178.39 1xc4 h PHE 258 N 0.00 0.32 0.00 1.57 3.57 0.59 -3.40 116.94 119.59 1xc4 h PHE 258 Ca -0.01 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1xc4 h PHE 258 Cb 1.49 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1xc4 h PHE 258 CO 0.00 0.68 0.00 0.28 -2.23 0.00 0.00 178.31 177.04 1xc4 n VAL 259 N -4.63 0.00 0.00 1.41 0.31 -0.86 -3.54 118.33 111.01 1xc4 n VAL 259 Ca -0.07 0.86 0.00 0.00 -0.01 0.00 0.00 64.34 65.13 1xc4 n VAL 259 Cb 0.33 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1xc4 n VAL 259 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xc4 n GLN 260 N -0.37 0.00 0.25 5.55 6.02 -1.15 0.14 117.38 127.81 1xc4 n GLN 260 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1xc4 n GLN 260 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 1xc4 n GLN 260 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1xc4 h PRO 261 N 0.00 -0.77 -0.71 -1.09 0.13 -1.77 0.82 132.00 128.62 1xc4 h PRO 261 Ca 0.00 0.05 0.12 0.00 -0.87 0.00 0.00 66.00 65.30 1xc4 h PRO 261 Cb 0.00 0.17 -0.13 0.00 0.13 0.00 0.00 31.00 31.18 1xc4 h PRO 261 CO 0.00 -0.51 -0.35 0.52 -0.23 0.00 0.00 178.00 177.42 1xc4 h MET 262 N -0.80 -0.11 -0.76 0.86 2.86 0.12 0.39 114.93 117.48 1xc4 h MET 262 Ca -0.06 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1xc4 h MET 262 Cb 0.68 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 1xc4 h MET 262 CO -0.02 -0.07 0.50 -0.22 1.06 0.00 0.00 176.91 178.16 1xc4 h LYS 263 N -0.12 0.95 0.00 1.72 1.63 -0.85 -1.06 116.57 118.85 1xc4 h LYS 263 Ca 0.26 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.96 1xc4 h LYS 263 Cb 0.56 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1xc4 h LYS 263 CO -0.77 0.63 -0.24 0.00 -3.45 0.00 0.00 179.45 175.62 1xc4 h ALA 264 N 1.54 1.26 0.00 5.00 0.00 0.47 -2.43 119.26 125.10 1xc4 h ALA 264 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xc4 h ALA 264 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xc4 h ALA 264 CO -0.07 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1xc4 n ALA 265 N -2.34 1.76 -0.87 0.00 0.00 0.28 -2.37 120.51 116.96 1xc4 n ALA 265 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1xc4 n ALA 265 Cb 0.35 -1.17 0.30 0.00 0.00 0.00 0.00 19.45 18.93 1xc4 n ALA 265 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xc4 n THR 266 N -1.15 2.26 -4.47 0.00 -2.24 -0.91 -3.56 114.28 104.21 1xc4 n THR 266 Ca 0.06 -1.63 -0.27 0.00 -2.27 0.00 0.00 64.05 59.93 1xc4 n THR 266 Cb 0.06 -0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.03 1xc4 n THR 266 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xc4 s ARG 267 N -2.57 2.06 0.00 -0.78 0.52 -1.00 -1.05 118.95 116.13 1xc4 s ARG 267 Ca 0.44 -2.05 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 1xc4 s ARG 267 Cb 0.34 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 34.06 1xc4 s ARG 267 CO 0.12 -0.10 0.00 -1.13 0.02 0.00 0.00 175.30 174.21