#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n LYS 2 N 0.00 3.01 -1.44 0.00 3.00 -1.26 -5.02 118.16 116.44 3i1n n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1n n LYS 2 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 33.99 3i1n n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i1n n THR 3 N -2.15 -2.85 -3.64 3.15 -2.24 -1.24 -4.80 114.28 100.50 3i1n n THR 3 Ca -0.02 1.35 -0.04 0.00 -2.27 0.00 0.00 64.05 63.06 3i1n n THR 3 Cb 0.54 -1.99 -0.07 0.00 -2.10 0.00 0.00 70.33 66.72 3i1n n THR 3 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3i1n s ILE 4 N -4.14 0.00 0.31 2.28 2.07 -0.46 -4.80 121.20 116.46 3i1n s ILE 4 Ca 0.00 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.05 3i1n s ILE 4 Cb 0.00 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.50 3i1n s ILE 4 CO 0.00 0.00 0.79 -0.54 -1.91 0.00 0.00 174.94 173.28 3i1n s LYS 5 N 1.18 4.18 -0.01 3.50 3.01 0.27 -2.19 119.74 129.68 3i1n s LYS 5 Ca -0.07 0.88 0.02 0.00 -1.01 0.00 0.00 55.97 55.79 3i1n s LYS 5 Cb -0.04 -2.58 -0.00 0.00 -1.01 0.00 0.00 37.83 34.20 3i1n s LYS 5 CO -0.14 0.22 -0.08 0.42 0.51 0.00 0.00 175.35 176.28 3i1n s ILE 6 N -1.82 0.62 0.03 2.17 1.01 0.86 -1.27 121.20 122.78 3i1n s ILE 6 Ca 0.51 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.85 3i1n s ILE 6 Cb -0.13 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 3i1n s ILE 6 CO 0.19 0.18 -0.05 -0.89 0.00 0.00 0.00 174.94 174.36 3i1n s THR 7 N -0.12 0.32 0.11 2.92 2.01 -0.54 0.03 115.64 120.38 3i1n s THR 7 Ca 0.02 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 3i1n s THR 7 Cb -0.04 -0.43 -0.22 0.00 0.01 0.00 0.00 72.50 71.83 3i1n s THR 7 CO -0.00 -0.43 1.25 -0.61 -0.69 0.00 0.00 174.62 174.14 3i1n h GLN 8 N 4.61 0.26 0.00 4.92 4.15 -1.82 -2.07 115.11 125.16 3i1n h GLN 8 Ca -0.34 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 58.73 3i1n h GLN 8 Cb 1.21 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.01 3i1n h GLN 8 CO 0.41 1.10 0.00 -2.37 -1.93 0.00 0.00 178.83 176.05 3i1n n THR 9 N -3.60 0.00 -3.60 2.39 5.66 -1.26 -4.08 114.28 109.79 3i1n n THR 9 Ca -0.06 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.81 3i1n n THR 9 Cb 0.92 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.63 3i1n n THR 9 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3i1n s ARG 10 N 0.00 0.76 0.84 1.09 3.52 -1.26 -4.93 118.95 118.97 3i1n s ARG 10 Ca 0.00 0.57 -0.13 0.00 -0.13 0.00 0.00 55.73 56.04 3i1n s ARG 10 Cb 0.00 0.37 0.10 0.00 -1.56 0.00 0.00 34.95 33.85 3i1n s ARG 10 CO 0.00 -0.16 1.16 0.45 -0.81 0.00 0.00 175.30 175.93 3i1n n SER 11 N 1.80 0.73 -1.37 -2.12 2.88 -1.26 -4.78 113.62 109.49 3i1n n SER 11 Ca -0.14 0.54 -0.06 0.00 -1.33 0.00 0.00 58.87 57.88 3i1n n SER 11 Cb 0.56 -1.49 0.21 0.00 -0.75 0.00 0.00 64.21 62.75 3i1n n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1n n ALA 12 N -3.54 4.34 -0.35 -1.46 0.00 -1.26 -4.85 120.51 113.39 3i1n n ALA 12 Ca 0.13 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.67 3i1n n ALA 12 Cb 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3i1n n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1n n ILE 13 N -0.95 0.00 0.86 0.00 5.41 -1.26 -3.89 119.36 119.53 3i1n n ILE 13 Ca 0.37 0.61 0.00 0.00 1.00 0.00 0.00 62.75 64.73 3i1n n ILE 13 Cb 1.15 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 3i1n n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1n n GLY 14 N 1.31 0.82 3.83 7.39 0.00 -1.26 -4.91 105.19 112.36 3i1n n GLY 14 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3i1n n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1n s ARG 15 N -1.16 3.07 0.51 1.61 3.00 -1.25 -5.01 118.95 119.72 3i1n s ARG 15 Ca 0.00 0.93 -0.21 0.00 0.00 0.00 0.00 55.73 56.45 3i1n s ARG 15 Cb 0.00 -2.01 -0.06 0.00 0.00 0.00 0.00 34.95 32.88 3i1n s ARG 15 CO 0.00 -0.99 1.19 -0.51 0.00 0.00 0.00 175.30 174.99 3i1n s LEU 16 N -5.43 3.88 0.23 2.53 1.43 -1.26 -4.81 118.68 115.25 3i1n s LEU 16 Ca 0.58 2.35 -0.07 0.00 -1.03 0.00 0.00 54.13 55.96 3i1n s LEU 16 Cb -0.14 -4.38 0.40 0.00 0.03 0.00 0.00 46.19 42.10 3i1n s LEU 16 CO 0.54 -1.17 1.69 -0.65 0.23 0.00 0.00 176.35 176.99 3i1n h PRO 17 N 1.60 0.25 -0.22 1.29 0.11 -1.99 -0.27 132.00 132.78 3i1n h PRO 17 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i1n h PRO 17 Cb 1.27 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3i1n h PRO 17 CO 0.58 0.17 0.13 0.87 -0.21 0.00 0.00 178.00 179.54 3i1n h LYS 18 N 0.26 0.29 -0.58 1.05 1.57 -1.99 -0.25 116.57 116.93 3i1n h LYS 18 Ca 0.38 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.25 3i1n h LYS 18 Cb 0.62 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 3i1n h LYS 18 CO -0.48 0.25 -0.15 0.45 -0.57 0.00 0.00 179.45 178.95 3i1n h HIS 19 N 0.26 -0.31 0.00 -1.35 3.86 -1.48 0.26 115.15 116.39 3i1n h HIS 19 Ca 0.08 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3i1n h HIS 19 Cb 0.03 0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3i1n h HIS 19 CO -0.05 -0.25 0.00 1.63 0.86 0.00 0.00 177.93 180.12 3i1n n LYS 20 N -5.40 0.00 -0.22 2.45 5.02 -0.33 -0.92 118.16 118.76 3i1n n LYS 20 Ca 0.06 0.56 0.05 0.00 -2.02 0.00 0.00 58.31 56.97 3i1n n LYS 20 Cb 0.30 -1.38 0.11 0.00 -0.02 0.00 0.00 35.03 34.04 3i1n n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1n n ALA 21 N -1.96 0.18 -0.02 7.82 0.00 -0.17 0.16 120.51 126.53 3i1n n ALA 21 Ca 0.00 0.66 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 3i1n n ALA 21 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 3i1n n ALA 21 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i1n h THR 22 N 0.00 0.86 -1.04 0.00 2.02 -0.04 0.91 112.91 115.63 3i1n h THR 22 Ca 0.31 -0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.75 3i1n h THR 22 Cb 0.51 0.86 -0.11 0.00 -1.74 0.00 0.00 68.15 67.67 3i1n h THR 22 CO -0.61 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 175.86 3i1n h LEU 23 N 0.01 0.53 -0.31 2.58 -0.00 0.35 0.55 115.31 119.02 3i1n h LEU 23 Ca 0.07 0.11 -0.11 0.00 -0.00 0.00 0.00 57.88 57.95 3i1n h LEU 23 Cb 0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 3i1n h LEU 23 CO -0.14 0.08 -0.22 0.25 -0.00 0.00 0.00 178.44 178.40 3i1n h LEU 24 N 0.46 0.73 -1.00 1.67 6.46 0.36 -0.98 115.31 123.01 3i1n h LEU 24 Ca 0.63 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3i1n h LEU 24 Cb 1.44 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 3i1n h LEU 24 CO -0.38 1.01 0.00 1.23 -0.62 0.00 0.00 178.44 179.68 3i1n h GLY 25 N 0.45 0.00 1.19 3.75 0.00 0.25 0.27 103.07 108.97 3i1n h GLY 25 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3i1n h GLY 25 CO 0.06 0.00 -0.44 1.04 0.00 0.00 0.00 176.54 177.20 3i1n n LEU 26 N -2.71 0.46 -3.08 3.11 4.77 0.03 -4.97 117.00 114.61 3i1n n LEU 26 Ca 0.02 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.92 3i1n n LEU 26 Cb 0.30 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3i1n n LEU 26 CO 0.25 0.07 0.20 0.61 -1.33 0.00 0.00 177.39 177.19 3i1n n GLY 27 N 1.47 -0.29 3.45 -0.72 0.00 0.08 -4.99 105.19 104.20 3i1n n GLY 27 Ca 0.05 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3i1n n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1n s LEU 28 N -6.22 4.25 -0.06 0.99 1.43 -1.01 -4.99 118.68 113.08 3i1n s LEU 28 Ca 0.46 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 3i1n s LEU 28 Cb -0.20 -2.03 -0.30 0.00 0.03 0.00 0.00 46.19 43.68 3i1n s LEU 28 CO 0.61 -0.22 0.72 0.03 0.23 0.00 0.00 176.35 177.72 3i1n h ARG 29 N 8.39 0.34 -3.52 1.70 2.47 -1.94 -3.45 114.38 118.37 3i1n h ARG 29 Ca -0.31 -0.58 -0.04 0.00 -1.26 0.00 0.00 59.98 57.78 3i1n h ARG 29 Cb 1.15 0.22 -0.09 0.00 -1.65 0.00 0.00 29.97 29.59 3i1n h ARG 29 CO 0.62 1.28 -0.07 1.03 0.56 0.00 0.00 179.97 183.40 3i1n s ARG 30 N -2.51 1.48 -0.11 0.04 3.00 -1.26 -5.06 118.95 114.53 3i1n s ARG 30 Ca -0.16 -1.11 -0.36 0.00 0.00 0.00 0.00 55.73 54.10 3i1n s ARG 30 Cb 0.04 0.49 -0.13 0.00 0.00 0.00 0.00 34.95 35.34 3i1n s ARG 30 CO 0.83 -0.62 1.77 0.44 0.00 0.00 0.00 175.30 177.72 3i1n n ILE 31 N -0.36 0.40 -1.42 1.52 -5.35 -1.26 -1.50 119.36 111.38 3i1n n ILE 31 Ca -0.05 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3i1n n ILE 31 Cb 0.62 -1.57 0.00 0.00 -1.74 0.00 0.00 39.64 36.94 3i1n n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1n n GLY 32 N 4.11 0.51 0.23 3.28 0.00 -1.26 -4.81 105.19 107.24 3i1n n GLY 32 Ca 0.23 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 3i1n n GLY 32 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i1n h HIS 33 N 0.00 -0.47 -2.23 1.61 2.76 -1.62 -3.44 115.15 111.76 3i1n h HIS 33 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3i1n h HIS 33 Cb 0.53 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.64 3i1n h HIS 33 CO 0.00 -0.22 -0.53 2.41 -1.30 0.00 0.00 177.93 178.30 3i1n n THR 34 N -5.25 -3.59 -3.52 6.26 -1.04 -1.23 -4.95 114.28 100.97 3i1n n THR 34 Ca -0.11 1.44 -0.11 0.00 -2.04 0.00 0.00 64.05 63.23 3i1n n THR 34 Cb 0.25 -2.22 -0.04 0.00 -1.82 0.00 0.00 70.33 66.51 3i1n n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i1n s VAL 35 N -1.94 0.00 -0.17 12.58 0.11 0.10 -4.93 120.40 126.16 3i1n s VAL 35 Ca 0.00 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i1n s VAL 35 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i1n s VAL 35 CO 0.00 0.00 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.02 3i1n s GLU 36 N -2.26 3.23 0.15 1.54 2.02 -1.26 -0.10 118.70 122.02 3i1n s GLU 36 Ca -0.00 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.31 3i1n s GLU 36 Cb -0.01 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 3i1n s GLU 36 CO -0.03 -0.03 -0.14 1.03 0.02 0.00 0.00 175.26 176.12 3i1n s ARG 37 N 0.93 1.12 0.57 1.61 3.00 -0.93 -4.91 118.95 120.35 3i1n s ARG 37 Ca -0.03 -1.38 -0.19 0.00 0.00 0.00 0.00 55.73 54.13 3i1n s ARG 37 Cb -0.15 -0.94 -0.05 0.00 0.00 0.00 0.00 34.95 33.82 3i1n s ARG 37 CO -0.02 0.16 1.17 -1.21 0.00 0.00 0.00 175.30 175.41 3i1n s GLU 38 N -3.12 3.14 -0.11 3.54 8.01 -1.26 -1.35 118.70 127.55 3i1n s GLU 38 Ca 0.14 1.73 -0.04 0.00 0.01 0.00 0.00 54.97 56.81 3i1n s GLU 38 Cb -0.03 -1.96 -0.12 0.00 -4.31 0.00 0.00 34.13 27.71 3i1n s GLU 38 CO 0.04 -1.05 3.04 -3.47 0.01 0.00 0.00 175.26 173.83 3i1n n ASP 39 N -1.47 5.57 -4.78 -0.19 -0.08 -1.26 -4.72 116.55 109.61 3i1n n ASP 39 Ca 0.13 -2.64 -0.37 0.00 -1.51 0.00 0.00 54.79 50.40 3i1n n ASP 39 Cb 0.50 -1.30 -0.06 0.00 2.34 0.00 0.00 41.12 42.60 3i1n n ASP 39 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3i1n s THR 40 N -0.02 4.24 0.54 5.18 -1.32 -1.26 -4.91 115.64 118.08 3i1n s THR 40 Ca 0.50 1.78 0.26 0.00 -1.21 0.00 0.00 61.69 63.02 3i1n s THR 40 Cb 0.26 -4.01 0.32 0.00 -1.51 0.00 0.00 72.50 67.56 3i1n s THR 40 CO -0.04 0.16 2.19 -0.65 -2.21 0.00 0.00 174.62 174.07 3i1n h PRO 41 N 3.24 0.00 -0.03 7.08 0.11 -1.97 0.54 132.00 140.97 3i1n h PRO 41 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i1n h PRO 41 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i1n h PRO 41 CO 0.65 0.04 0.01 0.00 -0.21 0.00 0.00 178.00 178.49 3i1n h ALA 42 N 1.96 0.03 0.00 -0.75 0.00 -1.96 0.01 119.26 118.55 3i1n h ALA 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1n h ALA 42 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i1n h ALA 42 CO 0.00 -0.48 0.00 -0.84 0.00 0.00 0.00 179.25 177.93 3i1n h ILE 43 N 0.02 0.00 0.00 0.00 -0.00 -1.39 -1.99 117.51 114.15 3i1n h ILE 43 Ca 0.01 -0.82 0.00 0.00 -0.00 0.00 0.00 64.86 64.05 3i1n h ILE 43 Cb 0.01 1.81 0.00 0.00 -0.00 0.00 0.00 36.82 38.64 3i1n h ILE 43 CO -0.01 0.00 0.00 -0.09 -0.00 0.00 0.00 178.15 178.05 3i1n h ARG 44 N 0.00 0.00 -0.11 0.16 9.65 -0.63 -2.25 114.38 121.20 3i1n h ARG 44 Ca 0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 3i1n h ARG 44 Cb 0.87 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.46 3i1n h ARG 44 CO 0.00 0.00 -0.84 0.78 2.80 0.00 0.00 179.97 182.71 3i1n h GLY 45 N 2.94 0.80 0.62 2.80 0.00 -0.23 -2.35 103.07 107.65 3i1n h GLY 45 Ca 0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 47.33 46.14 3i1n h GLY 45 CO 0.00 1.06 -0.04 -0.33 0.00 0.00 0.00 176.54 177.23 3i1n h MET 46 N 0.47 -0.10 -0.50 4.80 2.86 -1.30 -1.42 114.93 119.73 3i1n h MET 46 Ca -0.07 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 3i1n h MET 46 Cb 1.47 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 33.05 3i1n h MET 46 CO 0.17 0.27 -0.41 0.82 1.06 0.00 0.00 176.91 178.82 3i1n h ILE 47 N -0.48 0.12 -0.75 -1.22 2.04 -1.44 -0.74 117.51 115.04 3i1n h ILE 47 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3i1n h ILE 47 Cb 0.41 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 3i1n h ILE 47 CO 0.02 0.00 0.43 -1.13 0.00 0.00 0.00 178.15 177.46 3i1n h ASN 48 N -0.26 0.63 -0.98 1.72 -1.24 -1.33 0.48 115.58 114.60 3i1n h ASN 48 Ca 0.17 0.03 0.20 0.00 0.71 0.00 0.00 56.30 57.41 3i1n h ASN 48 Cb 0.57 -0.09 -0.09 0.00 0.73 0.00 0.00 38.32 39.43 3i1n h ASN 48 CO -0.63 0.39 0.62 0.00 -1.29 0.00 0.00 177.43 176.51 3i1n h ALA 49 N 1.39 1.87 -0.06 1.57 0.00 -0.01 -0.17 119.26 123.86 3i1n h ALA 49 Ca 0.34 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3i1n h ALA 49 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i1n h ALA 49 CO -0.20 -0.22 -0.32 1.33 0.00 0.00 0.00 179.25 179.84 3i1n n VAL 50 N -4.68 2.20 -0.33 0.00 0.24 -0.64 -4.83 118.33 110.29 3i1n n VAL 50 Ca 0.22 -2.93 0.24 0.00 -2.04 0.00 0.00 64.34 59.83 3i1n n VAL 50 Cb 0.63 -0.25 0.47 0.00 -1.47 0.00 0.00 33.84 33.22 3i1n n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i1n h SER 51 N 0.82 0.42 0.32 -1.34 4.64 0.19 -0.72 113.55 117.88 3i1n h SER 51 Ca 0.03 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3i1n h SER 51 Cb 1.11 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3i1n h SER 51 CO 0.06 -0.18 0.00 2.22 -0.87 0.00 0.00 176.83 178.06 3i1n n PHE 52 N -5.11 0.00 -2.41 4.77 -1.74 -1.26 -2.94 117.46 108.77 3i1n n PHE 52 Ca 0.31 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 57.22 3i1n n PHE 52 Cb 0.99 -0.46 0.06 0.00 1.52 0.00 0.00 39.48 41.58 3i1n n PHE 52 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3i1n n MET 53 N -1.46 0.85 -3.69 3.97 0.00 -0.28 -4.96 117.12 111.56 3i1n n MET 53 Ca 0.03 -2.67 -0.10 0.00 0.00 0.00 0.00 57.70 54.95 3i1n n MET 53 Cb 0.11 -0.75 -0.11 0.00 0.00 0.00 0.00 33.22 32.48 3i1n n MET 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 3i1n s VAL 54 N -1.63 -0.18 -0.01 3.17 -7.23 -1.15 -4.11 120.40 109.26 3i1n s VAL 54 Ca 0.34 0.13 -0.13 0.00 -1.81 0.00 0.00 61.98 60.51 3i1n s VAL 54 Cb 0.37 -0.59 -0.05 0.00 0.56 0.00 0.00 36.38 36.67 3i1n s VAL 54 CO -0.11 0.05 0.36 -0.75 -0.31 0.00 0.00 175.10 174.34 3i1n s LYS 55 N 1.70 3.82 -0.09 4.82 2.20 -0.78 -4.89 119.74 126.52 3i1n s LYS 55 Ca -0.07 0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 3i1n s LYS 55 Cb -0.10 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 3i1n s LYS 55 CO -0.12 0.69 -0.15 0.54 -0.36 0.00 0.00 175.35 175.95 3i1n s VAL 56 N -1.11 1.43 -0.17 4.02 0.11 -1.26 -1.47 120.40 121.95 3i1n s VAL 56 Ca 0.23 -0.63 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 3i1n s VAL 56 Cb -0.16 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 3i1n s VAL 56 CO 0.13 0.42 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.67 3i1n s GLU 57 N 0.79 3.57 0.00 1.54 2.02 -0.40 -4.99 118.70 121.23 3i1n s GLU 57 Ca -0.11 -0.56 0.14 0.00 0.02 0.00 0.00 54.97 54.46 3i1n s GLU 57 Cb -0.16 -2.93 0.11 0.00 0.10 0.00 0.00 34.13 31.26 3i1n s GLU 57 CO 0.02 0.12 0.96 -0.85 0.02 0.00 0.00 175.26 175.52