#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n LYS 2 N 0.00 -1.44 0.00 0.00 5.02 -1.26 -4.69 118.16 115.79 3i1p n LYS 2 Ca 0.00 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 3i1p n LYS 2 Cb 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 3i1p n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i1p n THR 3 N -2.84 0.00 -1.25 -0.18 -1.04 -1.26 -4.42 114.28 103.29 3i1p n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1p n THR 3 Cb 0.32 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 3i1p n THR 3 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i1p n ILE 4 N -2.26 -4.36 -4.48 12.58 2.08 -1.26 -3.41 119.36 118.25 3i1p n ILE 4 Ca 0.00 1.87 -0.34 0.00 0.56 0.00 0.00 62.75 64.84 3i1p n ILE 4 Cb 0.00 -2.60 -0.11 0.00 -0.75 0.00 0.00 39.64 36.18 3i1p n ILE 4 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3i1p s LYS 5 N -3.97 3.09 0.50 0.38 1.02 -1.18 -3.37 119.74 116.21 3i1p s LYS 5 Ca 0.00 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.52 3i1p s LYS 5 Cb 0.00 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 3i1p s LYS 5 CO 0.00 0.56 0.71 0.42 -0.92 0.00 0.00 175.35 176.12 3i1p s ILE 6 N -0.50 3.11 -0.09 2.17 -1.09 0.74 -2.84 121.20 122.70 3i1p s ILE 6 Ca 0.08 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 57.52 3i1p s ILE 6 Cb -0.12 -3.14 0.09 0.00 -1.58 0.00 0.00 42.46 37.72 3i1p s ILE 6 CO 0.02 -0.09 0.82 -0.89 -1.23 0.00 0.00 174.94 173.57 3i1p s THR 7 N -2.64 0.00 -0.15 2.92 2.01 -1.20 -2.62 115.64 113.96 3i1p s THR 7 Ca 0.54 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 3i1p s THR 7 Cb -0.10 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.29 3i1p s THR 7 CO 0.37 0.00 0.20 -0.61 -0.69 0.00 0.00 174.62 173.89 3i1p h GLN 8 N 2.77 0.00 0.00 4.92 4.15 -1.78 -2.92 115.11 122.24 3i1p h GLN 8 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 3i1p h GLN 8 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3i1p h GLN 8 CO 0.35 0.50 0.00 0.25 -1.93 0.00 0.00 178.83 178.00 3i1p n THR 9 N -4.61 0.00 -3.66 2.39 -2.24 -1.26 -3.56 114.28 101.33 3i1p n THR 9 Ca -0.12 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3i1p n THR 9 Cb 0.35 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.47 3i1p n THR 9 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1p s ARG 10 N 0.00 0.22 0.18 -0.78 0.52 -1.26 -5.04 118.95 112.78 3i1p s ARG 10 Ca 0.00 0.85 -0.33 0.00 -0.52 0.00 0.00 55.73 55.73 3i1p s ARG 10 Cb 0.00 0.10 -0.14 0.00 0.52 0.00 0.00 34.95 35.44 3i1p s ARG 10 CO 0.00 -0.27 1.57 -1.13 0.02 0.00 0.00 175.30 175.49 3i1p n SER 11 N 5.32 3.15 -1.39 0.23 3.41 -1.26 -4.84 113.62 118.24 3i1p n SER 11 Ca -0.08 1.09 -0.06 0.00 -0.26 0.00 0.00 58.87 59.56 3i1p n SER 11 Cb 0.50 -1.45 0.03 0.00 -0.26 0.00 0.00 64.21 63.03 3i1p n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1p n ALA 12 N 3.18 3.56 -1.00 7.33 0.00 -1.26 -4.67 120.51 127.65 3i1p n ALA 12 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3i1p n ALA 12 Cb 0.30 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3i1p n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1p n ILE 13 N 0.35 0.00 0.86 0.00 5.41 -1.26 -3.82 119.36 120.91 3i1p n ILE 13 Ca 0.14 0.38 0.04 0.00 1.00 0.00 0.00 62.75 64.31 3i1p n ILE 13 Cb 0.70 -1.35 0.26 0.00 -0.71 0.00 0.00 39.64 38.55 3i1p n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1p n GLY 14 N 0.00 -0.43 3.73 7.39 0.00 -1.26 -4.82 105.19 109.80 3i1p n GLY 14 Ca 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3i1p n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1p s ARG 15 N -2.00 2.10 0.70 1.61 3.00 -1.25 -4.95 118.95 118.16 3i1p s ARG 15 Ca 0.13 1.50 -0.16 0.00 0.00 0.00 0.00 55.73 57.20 3i1p s ARG 15 Cb 0.06 -1.86 0.01 0.00 0.00 0.00 0.00 34.95 33.16 3i1p s ARG 15 CO 0.10 -1.81 1.09 1.28 0.00 0.00 0.00 175.30 175.96 3i1p n LEU 16 N -3.12 4.35 0.29 2.53 7.99 -1.26 -4.66 117.00 123.11 3i1p n LEU 16 Ca 0.11 0.71 0.14 0.00 -0.01 0.00 0.00 56.01 56.96 3i1p n LEU 16 Cb 0.52 -1.46 0.85 0.00 -0.11 0.00 0.00 43.42 43.22 3i1p n LEU 16 CO 0.49 -1.69 1.11 -0.65 -1.51 0.00 0.00 177.39 175.14 3i1p h PRO 17 N -0.07 0.00 -0.13 3.23 0.11 -1.96 -0.55 132.00 132.63 3i1p h PRO 17 Ca -0.48 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 3i1p h PRO 17 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3i1p h PRO 17 CO 0.49 0.00 -0.53 -0.22 -0.21 0.00 0.00 178.00 177.52 3i1p h LYS 18 N 0.00 0.39 0.00 1.05 3.64 -1.99 -1.56 116.57 118.09 3i1p h LYS 18 Ca 0.00 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 3i1p h LYS 18 Cb 0.01 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3i1p h LYS 18 CO -0.00 0.83 -0.03 0.45 -2.27 0.00 0.00 179.45 178.42 3i1p h HIS 19 N 0.30 0.03 -0.83 1.91 3.86 -1.53 -2.41 115.15 116.48 3i1p h HIS 19 Ca 0.01 -0.02 0.21 0.00 -1.16 0.00 0.00 60.37 59.41 3i1p h HIS 19 Cb 1.04 -0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.36 3i1p h HIS 19 CO 0.03 0.82 0.09 0.87 0.86 0.00 0.00 177.93 180.60 3i1p h LYS 20 N -0.77 0.13 -0.15 2.45 1.57 -1.19 -1.32 116.57 117.29 3i1p h LYS 20 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i1p h LYS 20 Cb 0.83 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3i1p h LYS 20 CO 0.01 0.09 0.08 0.00 -0.57 0.00 0.00 179.45 179.05 3i1p h ALA 21 N 1.77 0.20 0.00 3.86 0.00 -1.27 -1.98 119.26 121.83 3i1p h ALA 21 Ca 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 3i1p h ALA 21 Cb 0.93 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3i1p h ALA 21 CO -0.69 -0.26 -0.02 1.79 0.00 0.00 0.00 179.25 180.06 3i1p h THR 22 N 0.14 0.37 0.16 0.00 1.35 -0.73 0.12 112.91 114.31 3i1p h THR 22 Ca 0.05 -0.12 -0.30 0.00 -0.55 0.00 0.00 66.41 65.50 3i1p h THR 22 Cb 0.08 1.09 0.02 0.00 -1.73 0.00 0.00 68.15 67.61 3i1p h THR 22 CO -0.01 0.02 -1.30 -0.07 -0.25 0.00 0.00 175.52 173.92 3i1p h LEU 23 N 0.00 0.65 -1.14 3.87 -0.00 -1.10 -2.27 115.31 115.32 3i1p h LEU 23 Ca -0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 3i1p h LEU 23 Cb 0.08 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 3i1p h LEU 23 CO 0.00 1.50 0.02 0.18 -0.00 0.00 0.00 178.44 180.15 3i1p n LEU 24 N -3.66 0.45 -0.07 1.67 4.32 0.34 0.85 117.00 120.90 3i1p n LEU 24 Ca -0.12 0.70 -0.04 0.00 -0.02 0.00 0.00 56.01 56.53 3i1p n LEU 24 Cb 1.03 -0.75 -0.15 0.00 -1.62 0.00 0.00 43.42 41.93 3i1p n LEU 24 CO 0.57 -0.85 -1.01 0.61 -1.22 0.00 0.00 177.39 175.49 3i1p n GLY 25 N -1.33 -0.93 0.01 -0.72 0.00 -0.72 -4.08 105.19 97.42 3i1p n GLY 25 Ca -0.01 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3i1p n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1p n LEU 26 N -2.56 0.45 -2.75 0.99 4.77 -0.47 -5.02 117.00 112.42 3i1p n LEU 26 Ca -0.23 0.06 -0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3i1p n LEU 26 Cb 0.95 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3i1p n LEU 26 CO 0.41 0.11 -0.51 0.61 -1.33 0.00 0.00 177.39 176.68 3i1p n GLY 27 N 1.49 -4.10 3.15 -0.72 0.00 0.25 -4.99 105.19 100.26 3i1p n GLY 27 Ca 0.06 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.62 3i1p n GLY 27 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1p s LEU 28 N -1.56 -0.88 0.00 0.99 2.34 -1.22 -4.90 118.68 113.45 3i1p s LEU 28 Ca -0.01 0.11 0.00 0.00 0.06 0.00 0.00 54.13 54.29 3i1p s LEU 28 Cb 0.00 1.56 0.00 0.00 -0.56 0.00 0.00 46.19 47.19 3i1p s LEU 28 CO 0.74 -0.16 0.11 0.54 -1.06 0.00 0.00 176.35 176.52 3i1p n ARG 29 N 5.23 0.00 0.00 1.48 3.00 -1.26 -4.80 116.66 120.31 3i1p n ARG 29 Ca 0.08 0.20 0.00 0.00 -0.01 0.00 0.00 57.85 58.12 3i1p n ARG 29 Cb 0.56 -0.78 0.00 0.00 0.00 0.00 0.00 32.46 32.24 3i1p n ARG 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i1p n ARG 30 N -1.11 -1.74 -2.17 5.56 1.74 -1.26 -4.74 116.66 112.94 3i1p n ARG 30 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 3i1p n ARG 30 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3i1p n ARG 30 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3i1p n ILE 31 N -2.86 2.44 -2.15 0.55 -5.35 -1.26 -4.53 119.36 106.21 3i1p n ILE 31 Ca 0.00 -2.53 -0.03 0.00 -0.27 0.00 0.00 62.75 59.91 3i1p n ILE 31 Cb 0.00 -2.22 -0.03 0.00 -1.74 0.00 0.00 39.64 35.65 3i1p n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1p n GLY 32 N 5.64 -4.41 0.00 3.28 0.00 -1.26 -4.47 105.19 103.98 3i1p n GLY 32 Ca 0.46 0.93 0.03 0.00 0.00 0.00 0.00 46.02 47.45 3i1p n GLY 32 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i1p n HIS 33 N 1.04 0.00 -3.39 1.61 -0.00 -1.26 -4.72 115.22 108.50 3i1p n HIS 33 Ca -0.25 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 57.75 3i1p n HIS 33 Cb 0.39 -0.26 0.08 0.00 -0.12 0.00 0.00 29.99 30.09 3i1p n HIS 33 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 3i1p n THR 34 N -1.26 -4.57 -2.49 3.57 -1.04 -1.25 -4.92 114.28 102.32 3i1p n THR 34 Ca 0.03 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.05 61.33 3i1p n THR 34 Cb 0.05 -4.46 -0.04 0.00 -1.82 0.00 0.00 70.33 64.07 3i1p n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i1p s VAL 35 N -3.32 3.90 -0.40 12.58 0.11 -1.08 -4.52 120.40 127.67 3i1p s VAL 35 Ca 0.19 1.58 -0.19 0.00 -2.93 0.00 0.00 61.98 60.63 3i1p s VAL 35 Cb -0.08 -4.01 0.01 0.00 -1.53 0.00 0.00 36.38 30.77 3i1p s VAL 35 CO 0.67 0.24 0.53 -0.70 -3.33 0.00 0.00 175.10 172.52 3i1p s GLU 36 N -0.10 3.36 0.00 1.54 2.12 -1.26 -0.19 118.70 124.17 3i1p s GLU 36 Ca 0.51 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.44 3i1p s GLU 36 Cb -0.29 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.20 3i1p s GLU 36 CO 0.34 -0.82 0.00 -2.13 -0.54 0.00 0.00 175.26 172.11 3i1p n ARG 37 N 5.86 0.00 -1.11 4.30 3.00 -1.22 -5.01 116.66 122.48 3i1p n ARG 37 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 3i1p n ARG 37 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.91 3i1p n ARG 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3i1p n GLU 38 N -0.29 0.00 -3.21 -0.14 0.00 -1.22 -5.01 120.64 110.78 3i1p n GLU 38 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.93 3i1p n GLU 38 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 3i1p n GLU 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i1p n ASP 39 N -0.37 1.65 -4.81 4.31 4.64 -1.26 -4.58 116.55 116.14 3i1p n ASP 39 Ca 0.00 -3.06 -0.36 0.00 -1.38 0.00 0.00 54.79 49.99 3i1p n ASP 39 Cb 0.00 -0.63 -0.07 0.00 -1.04 0.00 0.00 41.12 39.38 3i1p n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3i1p s THR 40 N -2.20 5.33 -0.40 5.18 2.01 -1.26 -4.88 115.64 119.41 3i1p s THR 40 Ca 0.39 0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.61 3i1p s THR 40 Cb 0.23 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.47 3i1p s THR 40 CO -0.09 0.57 1.11 -2.65 -0.69 0.00 0.00 174.62 172.87 3i1p n PRO 41 N 2.41 0.05 0.00 4.92 -0.02 -1.26 0.25 135.00 141.35 3i1p n PRO 41 Ca -0.19 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3i1p n PRO 41 Cb 0.54 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3i1p n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1p n ALA 42 N -1.48 -0.24 0.30 3.55 0.00 -1.26 -0.12 120.51 121.26 3i1p n ALA 42 Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 3i1p n ALA 42 Cb 0.19 0.00 0.91 0.00 0.00 0.00 0.00 19.45 20.54 3i1p n ALA 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3i1p h ILE 43 N 0.00 0.17 0.00 0.00 -0.00 -1.72 0.12 117.51 116.08 3i1p h ILE 43 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 64.86 64.54 3i1p h ILE 43 Cb 0.00 1.26 0.00 0.00 -0.00 0.00 0.00 36.82 38.08 3i1p h ILE 43 CO 0.00 0.03 -0.70 -0.09 -0.00 0.00 0.00 178.15 177.39 3i1p h ARG 44 N 0.00 0.00 0.00 0.16 2.43 -0.32 -3.16 114.38 113.49 3i1p h ARG 44 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1p h ARG 44 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3i1p h ARG 44 CO 0.00 0.00 0.00 0.78 -1.51 0.00 0.00 179.97 179.24 3i1p h GLY 45 N 4.00 0.00 1.32 2.80 0.00 0.22 -3.04 103.07 108.36 3i1p h GLY 45 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 3i1p h GLY 45 CO 0.00 0.00 -1.47 -0.33 0.00 0.00 0.00 176.54 174.74 3i1p h MET 46 N 0.00 0.26 -0.13 4.80 2.86 -1.32 -3.38 114.93 118.01 3i1p h MET 46 Ca 0.00 -0.44 0.03 0.00 -2.06 0.00 0.00 59.70 57.24 3i1p h MET 46 Cb 0.64 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.40 3i1p h MET 46 CO 0.00 1.13 -0.53 0.82 1.06 0.00 0.00 176.91 179.40 3i1p h ILE 47 N 0.07 0.02 -1.21 -1.22 1.08 -1.51 -1.56 117.51 113.18 3i1p h ILE 47 Ca -0.22 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 64.60 3i1p h ILE 47 Cb 2.01 0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.73 3i1p h ILE 47 CO 0.17 0.00 0.87 -0.55 -0.69 0.00 0.00 178.15 177.95 3i1p h ASN 48 N -0.57 0.03 0.56 1.72 -1.07 -1.73 -0.91 115.58 113.60 3i1p h ASN 48 Ca 0.04 0.01 -0.03 0.00 0.07 0.00 0.00 56.30 56.39 3i1p h ASN 48 Cb 0.68 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.94 3i1p h ASN 48 CO -0.43 0.00 -0.27 0.00 0.07 0.00 0.00 177.43 176.80 3i1p h ALA 49 N 1.41 -0.79 -0.69 4.14 0.00 -1.49 -3.29 119.26 118.54 3i1p h ALA 49 Ca 0.59 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 54.81 3i1p h ALA 49 Cb 2.29 0.29 -0.20 0.00 0.00 0.00 0.00 17.79 20.16 3i1p h ALA 49 CO -0.03 -0.74 0.62 1.33 0.00 0.00 0.00 179.25 180.42 3i1p n VAL 50 N -5.08 3.24 0.03 0.00 0.24 -0.42 -4.69 118.33 111.65 3i1p n VAL 50 Ca -0.09 -2.66 -0.09 0.00 -2.04 0.00 0.00 64.34 59.46 3i1p n VAL 50 Cb 0.30 -1.34 0.07 0.00 -1.47 0.00 0.00 33.84 31.39 3i1p n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i1p h SER 51 N 2.18 0.54 0.00 -1.34 4.64 -1.43 -3.05 113.55 115.09 3i1p h SER 51 Ca 0.43 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3i1p h SER 51 Cb 0.72 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3i1p h SER 51 CO 1.10 1.00 0.00 2.22 -0.87 0.00 0.00 176.83 180.27 3i1p n PHE 52 N -3.93 0.00 -2.77 4.77 -1.74 -1.26 -1.97 117.46 110.55 3i1p n PHE 52 Ca -0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.85 3i1p n PHE 52 Cb 0.62 -0.01 0.08 0.00 1.52 0.00 0.00 39.48 41.69 3i1p n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 3i1p n MET 53 N -0.31 1.57 -3.63 3.97 2.81 -1.15 -4.81 117.12 115.58 3i1p n MET 53 Ca 0.00 -2.57 -0.09 0.00 -1.81 0.00 0.00 57.70 53.23 3i1p n MET 53 Cb 0.03 -0.77 -0.10 0.00 -0.71 0.00 0.00 33.22 31.67 3i1p n MET 53 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3i1p s VAL 54 N -2.19 -0.63 -0.04 2.03 -7.23 -0.83 -4.06 120.40 107.45 3i1p s VAL 54 Ca 0.20 0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.40 3i1p s VAL 54 Cb 0.37 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 3i1p s VAL 54 CO -0.08 0.05 0.32 -0.75 -0.31 0.00 0.00 175.10 174.34 3i1p s LYS 55 N 2.59 3.78 -0.16 4.82 2.36 -1.10 -4.93 119.74 127.10 3i1p s LYS 55 Ca 0.00 0.24 -0.00 0.00 -2.55 0.00 0.00 55.97 53.66 3i1p s LYS 55 Cb -0.12 -3.22 -0.00 0.00 -1.05 0.00 0.00 37.83 33.44 3i1p s LYS 55 CO -0.13 0.71 -0.14 0.08 1.55 0.00 0.00 175.35 177.42 3i1p s VAL 56 N -1.02 2.78 -0.21 4.02 1.01 -1.26 -3.26 120.40 122.45 3i1p s VAL 56 Ca 0.21 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 3i1p s VAL 56 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3i1p s VAL 56 CO 0.10 0.50 0.04 -0.70 0.00 0.00 0.00 175.10 175.05 3i1p s GLU 57 N 0.90 3.72 0.00 2.72 2.12 -1.13 -5.00 118.70 122.03 3i1p s GLU 57 Ca -0.03 -0.46 0.25 0.00 0.36 0.00 0.00 54.97 55.09 3i1p s GLU 57 Cb -0.15 -3.21 0.51 0.00 0.26 0.00 0.00 34.13 31.55 3i1p s GLU 57 CO -0.01 -0.00 1.44 -1.91 -0.54 0.00 0.00 175.26 174.24