#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i50 n VAL 6 N 0.00 0.00 -2.71 0.52 3.14 -1.26 -5.11 118.33 112.92 2i50 n VAL 6 Ca 0.00 -0.05 -0.42 0.00 -2.96 0.00 0.00 64.34 60.90 2i50 n VAL 6 Cb 0.00 0.26 -0.03 0.00 -1.06 0.00 0.00 33.84 33.01 2i50 n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i50 n ARG 8 N 4.54 2.39 -1.05 0.00 3.00 -1.26 -4.34 116.66 119.94 2i50 n ARG 8 Ca 0.07 -2.15 -0.08 0.00 -0.00 0.00 0.00 57.85 55.69 2i50 n ARG 8 Cb 0.50 -1.42 0.29 0.00 0.00 0.00 0.00 32.46 31.83 2i50 n ARG 8 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2i50 n HIS 9 N 1.14 2.54 0.07 -0.14 8.25 -1.26 -4.51 115.22 121.30 2i50 n HIS 9 Ca 0.16 -1.27 -0.11 0.00 -0.26 0.00 0.00 57.72 56.24 2i50 n HIS 9 Cb 0.52 -0.72 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 2i50 n HIS 9 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2i50 h ILE 10 N 2.44 0.71 0.14 1.59 1.08 -1.95 0.14 117.51 121.65 2i50 h ILE 10 Ca 0.32 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.50 2i50 h ILE 10 Cb 2.40 0.71 0.02 0.00 -3.07 0.00 0.00 36.82 36.88 2i50 h ILE 10 CO 0.79 0.00 -1.26 0.03 -0.69 0.00 0.00 178.15 177.01 2i50 h ARG 11 N -0.22 0.39 0.00 2.37 3.08 -1.79 -1.78 114.38 116.43 2i50 h ARG 11 Ca 0.03 -0.62 -0.07 0.00 0.07 0.00 0.00 59.98 59.40 2i50 h ARG 11 Cb 0.26 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2i50 h ARG 11 CO -0.10 1.28 -0.31 0.87 -1.07 0.00 0.00 179.97 180.64 2i50 h LYS 12 N 0.13 0.00 -0.01 0.04 1.57 -1.80 -3.07 116.57 113.43 2i50 h LYS 12 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2i50 h LYS 12 Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.28 2i50 h LYS 12 CO 0.22 0.31 -0.06 0.41 -0.57 0.00 0.00 179.45 179.76 2i50 n GLY 13 N -0.57 -0.33 2.79 3.86 0.00 0.45 -4.19 105.19 107.20 2i50 n GLY 13 Ca -0.02 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 2i50 n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i50 s LEU 14 N -1.09 0.88 -0.54 0.99 0.20 -0.67 -0.90 118.68 117.55 2i50 s LEU 14 Ca 0.11 -0.32 0.04 0.00 0.69 0.00 0.00 54.13 54.65 2i50 s LEU 14 Cb 0.09 -0.57 0.13 0.00 -0.43 0.00 0.00 46.19 45.41 2i50 s LEU 14 CO 0.17 -0.21 0.28 -0.70 -0.29 0.00 0.00 176.35 175.60 2i50 s GLU 15 N 1.88 2.04 0.27 1.98 2.56 -0.94 -4.40 118.70 122.10 2i50 s GLU 15 Ca 0.03 -2.66 -0.00 0.00 0.00 0.00 0.00 54.97 52.34 2i50 s GLU 15 Cb -0.14 -3.35 0.55 0.00 2.00 0.00 0.00 34.13 33.19 2i50 s GLU 15 CO -0.06 -1.12 1.78 1.96 -0.56 0.00 0.00 175.26 177.25 2i50 h GLN 16 N 6.46 0.69 0.35 4.30 4.20 -1.89 -1.36 115.11 127.86 2i50 h GLN 16 Ca -0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2i50 h GLN 16 Cb 0.89 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2i50 h GLN 16 CO 0.69 0.46 -0.25 0.78 -0.67 0.00 0.00 178.83 179.83 2i50 h GLY 17 N 0.71 -0.63 2.00 3.46 0.00 -1.97 -2.82 103.07 103.83 2i50 h GLY 17 Ca 0.48 0.29 -0.04 0.00 0.00 0.00 0.00 47.33 48.06 2i50 h GLY 17 CO -0.34 -0.24 -0.17 3.45 0.00 0.00 0.00 176.54 179.23 2i50 h ASN 18 N -0.60 0.00 -0.17 0.19 -1.07 -1.83 -3.25 115.58 108.85 2i50 h ASN 18 Ca -0.03 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.38 2i50 h ASN 18 Cb 0.52 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.72 2i50 h ASN 18 CO 0.00 0.17 -0.11 -0.07 0.07 0.00 0.00 177.43 177.49 2i50 h LEU 19 N 0.00 -0.36 -0.81 6.14 -0.00 -1.02 -0.91 115.31 118.35 2i50 h LEU 19 Ca -0.00 0.08 0.09 0.00 -0.00 0.00 0.00 57.88 58.04 2i50 h LEU 19 Cb 0.97 0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 41.75 2i50 h LEU 19 CO 0.02 -0.15 0.47 0.11 -0.00 0.00 0.00 178.44 178.89 2i50 h LYS 20 N -0.11 0.78 0.00 1.13 1.79 -1.54 -1.02 116.57 117.61 2i50 h LYS 20 Ca 0.10 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.39 2i50 h LYS 20 Cb 0.26 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2i50 h LYS 20 CO -0.24 0.52 -0.64 0.87 -1.08 0.00 0.00 179.45 178.88 2i50 h LYS 21 N 0.81 0.00 0.14 3.15 1.57 -1.58 -2.94 116.57 117.73 2i50 h LYS 21 Ca 0.38 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.86 2i50 h LYS 21 Cb 0.32 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.66 2i50 h LYS 21 CO -0.23 0.64 -1.26 0.00 -0.57 0.00 0.00 179.45 178.03 2i50 h ALA 22 N 1.36 -0.04 0.00 3.86 0.00 -0.53 -3.19 119.26 120.73 2i50 h ALA 22 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2i50 h ALA 22 Cb 1.45 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2i50 h ALA 22 CO 0.08 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.28 2i50 n LEU 23 N -3.80 0.68 -0.31 0.00 4.77 -0.45 -1.04 117.00 116.85 2i50 n LEU 23 Ca -0.14 0.63 -0.02 0.00 -0.03 0.00 0.00 56.01 56.45 2i50 n LEU 23 Cb 0.99 -0.49 0.10 0.00 -2.33 0.00 0.00 43.42 41.70 2i50 n LEU 23 CO 0.58 -0.42 1.22 0.58 -1.33 0.00 0.00 177.39 178.02 2i50 h VAL 24 N 0.00 1.16 -0.49 4.08 2.07 -1.50 -3.16 116.25 118.42 2i50 h VAL 24 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2i50 h VAL 24 Cb 0.48 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2i50 h VAL 24 CO 0.00 0.20 0.00 0.59 0.02 0.00 0.00 177.57 178.38 2i50 n ASN 25 N -4.53 4.82 -4.85 0.57 3.02 -0.20 -4.97 115.26 109.12 2i50 n ASN 25 Ca 0.10 -2.80 -0.35 0.00 -0.03 0.00 0.00 54.58 51.51 2i50 n ASN 25 Cb 0.07 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 2i50 n ASN 25 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2i50 s VAL 26 N -2.48 4.93 -0.65 2.41 -7.23 -1.10 -5.02 120.40 111.26 2i50 s VAL 26 Ca 0.48 0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 61.21 2i50 s VAL 26 Cb 0.36 -3.71 0.16 0.00 0.56 0.00 0.00 36.38 33.76 2i50 s VAL 26 CO 0.16 0.25 0.61 -1.83 -0.31 0.00 0.00 175.10 173.98 2i50 s GLU 27 N -1.96 3.23 0.05 4.82 1.03 -1.26 -5.04 118.70 119.57 2i50 s GLU 27 Ca 0.36 -1.99 -0.34 0.00 0.03 0.00 0.00 54.97 53.03 2i50 s GLU 27 Cb -0.15 -4.35 -0.13 0.00 -0.80 0.00 0.00 34.13 28.70 2i50 s GLU 27 CO 0.19 -1.32 1.69 0.91 -1.33 0.00 0.00 175.26 175.40 2i50 n TRP 28 N 4.80 2.26 -1.28 4.83 7.02 -1.26 -1.43 117.44 132.37 2i50 n TRP 28 Ca -0.03 0.18 -0.08 0.00 -1.02 0.00 0.00 57.50 56.55 2i50 n TRP 28 Cb 0.43 -2.58 -0.03 0.00 -2.42 0.00 0.00 31.31 26.70 2i50 n TRP 28 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2i50 n ASN 29 N 4.72 -3.87 -4.02 -0.99 2.85 -1.26 -4.99 115.26 107.70 2i50 n ASN 29 Ca 0.19 0.18 -0.31 0.00 -0.11 0.00 0.00 54.58 54.53 2i50 n ASN 29 Cb 0.28 -2.13 -0.15 0.00 1.24 0.00 0.00 39.78 39.02 2i50 n ASN 29 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2i50 s ILE 30 N -2.30 2.00 -0.52 -1.44 1.01 -0.51 -4.92 121.20 114.51 2i50 s ILE 30 Ca 0.00 -1.65 -0.31 0.00 0.00 0.00 0.00 60.65 58.69 2i50 s ILE 30 Cb 0.00 -2.21 -0.12 0.00 0.01 0.00 0.00 42.46 40.14 2i50 s ILE 30 CO 0.00 -0.16 2.38 0.00 0.00 0.00 0.00 174.94 177.16 2i50 h GLN 32 N 15.02 0.58 0.00 0.00 4.20 -1.32 0.23 115.11 133.81 2i50 h GLN 32 Ca -0.23 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2i50 h GLN 32 Cb 1.30 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2i50 h GLN 32 CO 1.14 0.38 0.00 -3.47 -0.67 0.00 0.00 178.83 176.21 2i50 n ASP 33 N -4.47 0.72 0.05 1.46 2.03 -1.16 -0.78 116.55 114.40 2i50 n ASP 33 Ca 0.06 0.68 -0.09 0.00 0.52 0.00 0.00 54.79 55.96 2i50 n ASP 33 Cb 0.14 -0.83 -0.13 0.00 -0.72 0.00 0.00 41.12 39.59 2i50 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i50 h LYS 35 N 0.01 0.44 0.00 0.00 2.10 -0.84 -3.09 116.57 115.19 2i50 h LYS 35 Ca -0.07 -0.67 0.00 0.00 -2.00 0.00 0.00 60.65 57.91 2i50 h LYS 35 Cb 1.84 0.24 0.00 0.00 -0.90 0.00 0.00 32.23 33.40 2i50 h LYS 35 CO 0.13 1.30 0.00 0.25 -2.00 0.00 0.00 179.45 179.13 2i50 n THR 36 N -3.98 0.00 0.05 0.07 -2.24 0.04 -2.20 114.28 106.02 2i50 n THR 36 Ca -0.14 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 2i50 n THR 36 Cb 0.90 -0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 68.43 2i50 n THR 36 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2i50 h ASP 37 N 0.00 0.58 0.00 3.42 1.82 -1.43 -3.47 116.42 117.34 2i50 h ASP 37 Ca 0.00 -0.86 0.00 0.00 -0.39 0.00 0.00 57.03 55.78 2i50 h ASP 37 Cb 0.00 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.83 2i50 h ASP 37 CO 0.00 1.39 0.00 -3.20 -1.61 0.00 0.00 179.24 175.82 2i50 n ASN 38 N -4.08 0.00 -0.04 2.28 5.15 -0.93 -4.45 115.26 113.18 2i50 n ASN 38 Ca -0.13 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.82 2i50 n ASN 38 Cb 0.81 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 40.05 2i50 n ASN 38 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2i50 n LYS 39 N 0.00 0.22 0.00 1.20 5.02 -1.26 -4.81 118.16 118.52 2i50 n LYS 39 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2i50 n LYS 39 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2i50 n LYS 39 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2i50 n VAL 40 N -3.30 0.00 0.00 -0.18 0.31 -1.26 -3.36 118.33 110.54 2i50 n VAL 40 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2i50 n VAL 40 Cb 0.21 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 2i50 n VAL 40 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2i50 n LYS 41 N 0.00 0.00 0.00 5.55 5.02 -1.26 -5.03 118.16 122.44 2i50 n LYS 41 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2i50 n LYS 41 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 2i50 n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2i50 n ASP 42 N -1.11 0.00 0.00 4.39 9.92 -1.21 -4.98 116.55 123.56 2i50 n ASP 42 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2i50 n ASP 42 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2i50 n ASP 42 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2i50 n LYS 43 N -0.92 -0.75 -0.05 -1.24 4.76 -1.25 -4.79 118.16 113.91 2i50 n LYS 43 Ca 0.00 0.19 -0.12 0.00 -2.87 0.00 0.00 58.31 55.51 2i50 n LYS 43 Cb 0.00 -4.60 -0.06 0.00 -1.84 0.00 0.00 35.03 28.53 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i50 h ALA 44 N 0.00 0.20 -5.25 7.82 0.00 -1.92 -3.49 119.26 116.62 2i50 h ALA 44 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2i50 h ALA 44 Cb 0.38 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 2i50 h ALA 44 CO 0.00 -0.06 -1.29 0.39 0.00 0.00 0.00 179.25 178.29 2i50 n GLU 45 N -4.71 -3.95 0.16 0.00 -0.58 -1.26 -4.92 120.64 105.38 2i50 n GLU 45 Ca -0.05 3.03 0.04 0.00 -0.42 0.00 0.00 57.16 59.75 2i50 n GLU 45 Cb 0.25 -4.25 0.21 0.00 -0.57 0.00 0.00 31.44 27.08 2i50 n GLU 45 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2i50 h GLU 46 N 4.29 0.00 0.00 3.49 4.11 -2.03 -3.45 114.58 120.99 2i50 h GLU 46 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2i50 h GLU 46 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2i50 h GLU 46 CO 0.01 0.47 0.00 -1.91 0.07 0.00 0.00 179.01 177.65 2i50 n GLU 47 N -3.44 0.00 -3.11 1.06 2.13 -1.26 -5.11 120.64 110.91 2i50 n GLU 47 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2i50 n GLU 47 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 2i50 n GLU 47 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2i50 s THR 48 N 0.00 -0.31 0.14 6.31 2.01 -1.26 -5.13 115.64 117.40 2i50 s THR 48 Ca 0.00 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 2i50 s THR 48 Cb 0.00 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 72.15 2i50 s THR 48 CO 0.00 0.00 1.46 -1.61 -0.69 0.00 0.00 174.62 173.78 2i50 s GLU 49 N 2.83 4.28 0.22 4.92 0.41 -1.26 -4.62 118.70 125.49 2i50 s GLU 49 Ca 0.25 2.19 0.00 0.00 -0.41 0.00 0.00 54.97 57.00 2i50 s GLU 49 Cb -0.02 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 2i50 s GLU 49 CO -0.22 -0.50 0.00 0.39 -0.49 0.00 0.00 175.26 174.44 2i50 n GLU 50 N 3.94 -2.38 -3.84 1.61 1.02 -1.26 -4.93 120.64 114.81 2i50 n GLU 50 Ca 0.12 1.74 -0.32 0.00 -0.02 0.00 0.00 57.16 58.69 2i50 n GLU 50 Cb 0.41 -1.94 -0.11 0.00 -0.02 0.00 0.00 31.44 29.77 2i50 n GLU 50 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2i50 s LYS 51 N -4.04 2.43 0.86 3.49 0.00 -1.26 -5.09 119.74 116.12 2i50 s LYS 51 Ca 0.00 -2.89 -0.13 0.00 0.00 0.00 0.00 55.97 52.95 2i50 s LYS 51 Cb 0.00 -3.53 0.12 0.00 0.00 0.00 0.00 37.83 34.42 2i50 s LYS 51 CO 0.00 -1.19 1.22 -1.25 0.00 0.00 0.00 175.35 174.13 2i50 s PRO 52 N -0.69 1.51 0.51 1.78 0.04 -1.26 -5.06 135.00 131.83 2i50 s PRO 52 Ca 0.20 -0.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.02 2i50 s PRO 52 Cb -0.17 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2i50 s PRO 52 CO -0.07 -1.87 0.94 -1.54 0.04 0.00 0.00 177.00 174.50 2i50 s SER 53 N -4.69 6.51 -0.13 6.66 1.04 -1.26 -4.89 113.70 116.95 2i50 s SER 53 Ca 0.66 1.42 0.01 0.00 0.48 0.00 0.00 55.95 58.52 2i50 s SER 53 Cb -0.08 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.60 2i50 s SER 53 CO 0.50 -0.60 -0.15 -0.69 0.98 0.00 0.00 173.24 173.28 2i50 s VAL 54 N -2.68 1.55 -0.12 5.02 1.01 -1.26 0.42 120.40 124.34 2i50 s VAL 54 Ca 0.56 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2i50 s VAL 54 Cb -0.10 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2i50 s VAL 54 CO 0.36 0.45 -0.09 0.26 0.00 0.00 0.00 175.10 176.09 2i50 s TRP 55 N 1.19 2.89 -0.23 5.22 0.52 0.99 -0.10 118.94 129.44 2i50 s TRP 55 Ca -0.02 -0.37 -0.06 0.00 0.02 0.00 0.00 56.10 55.67 2i50 s TRP 55 Cb -0.14 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 2i50 s TRP 55 CO -0.05 -0.03 0.04 -1.17 0.02 0.00 0.00 176.95 175.76 2i50 s LEU 56 N 0.07 3.35 -0.18 2.99 2.96 0.34 -0.38 118.68 127.81 2i50 s LEU 56 Ca -0.03 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.39 2i50 s LEU 56 Cb -0.14 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 2i50 s LEU 56 CO 0.04 0.01 2.02 0.00 -1.32 0.00 0.00 176.35 177.10 2i50 n LEU 58 N 10.20 0.00 -0.01 0.00 4.77 0.19 0.35 117.00 132.49 2i50 n LEU 58 Ca 0.25 0.24 -0.21 0.00 -0.03 0.00 0.00 56.01 56.26 2i50 n LEU 58 Cb 0.44 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.16 2i50 n LEU 58 CO 0.67 -0.05 -0.44 0.50 -1.33 0.00 0.00 177.39 176.74 2i50 h LYS 59 N 0.00 0.20 0.00 3.23 1.63 -1.13 -2.49 116.57 118.01 2i50 h LYS 59 Ca 0.00 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2i50 h LYS 59 Cb 0.19 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2i50 h LYS 59 CO 0.00 1.16 -0.09 0.00 -3.45 0.00 0.00 179.45 177.08 2i50 n GLY 61 N 0.74 0.75 3.75 0.00 0.00 0.16 -4.72 105.19 105.87 2i50 n GLY 61 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2i50 n GLY 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2i50 s HIS 62 N -2.00 2.96 -0.21 1.61 5.04 -1.24 -4.77 115.29 116.68 2i50 s HIS 62 Ca 0.00 1.08 -0.02 0.00 -1.54 0.00 0.00 55.06 54.57 2i50 s HIS 62 Cb 0.00 -3.84 0.00 0.00 0.04 0.00 0.00 32.58 28.78 2i50 s HIS 62 CO 0.00 -2.66 -0.09 -1.14 -2.34 0.00 0.00 174.74 168.51 2i50 s GLN 63 N -0.77 3.26 0.20 2.88 0.74 -1.26 0.26 119.66 124.96 2i50 s GLN 63 Ca 0.57 -0.69 0.06 0.00 0.05 0.00 0.00 55.36 55.36 2i50 s GLN 63 Cb -0.43 -2.87 -0.05 0.00 1.10 0.00 0.00 33.01 30.76 2i50 s GLN 63 CO 0.47 -0.20 -0.10 0.20 -0.55 0.00 0.00 175.29 175.10 2i50 s GLY 64 N 1.42 1.37 0.03 2.59 0.00 0.49 -0.87 107.32 112.34 2i50 s GLY 64 Ca 0.06 -1.64 -0.21 0.00 0.00 0.00 0.00 44.72 42.92 2i50 s GLY 64 CO -0.06 -1.70 0.62 0.00 0.00 0.00 0.00 173.10 171.96 2i50 n GLY 66 N 2.26 -2.34 0.37 0.00 0.00 0.17 -2.91 105.19 102.74 2i50 n GLY 66 Ca -0.07 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.51 2i50 n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i50 h ARG 67 N 0.00 1.12 -0.54 1.61 3.08 -1.95 -1.15 114.38 116.55 2i50 h ARG 67 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2i50 h ARG 67 Cb 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.80 2i50 h ARG 67 CO 0.00 0.74 0.00 0.27 -1.07 0.00 0.00 179.97 179.91 2i50 n ASN 68 N -4.43 1.04 -4.99 7.04 6.94 -1.26 -4.76 115.26 114.84 2i50 n ASN 68 Ca 0.12 -2.06 -0.19 0.00 -0.02 0.00 0.00 54.58 52.43 2i50 n ASN 68 Cb 0.09 -0.30 0.02 0.00 -2.36 0.00 0.00 39.78 37.23 2i50 n ASN 68 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2i50 s SER 69 N -0.52 5.53 0.10 0.53 1.04 -0.44 -4.84 113.70 115.10 2i50 s SER 69 Ca 0.06 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 2i50 s SER 69 Cb 0.04 -0.82 -0.14 0.00 0.10 0.00 0.00 66.02 65.20 2i50 s SER 69 CO 0.03 -0.89 1.32 -0.61 0.98 0.00 0.00 173.24 174.06 2i50 h GLN 70 N 0.41 0.76 0.04 4.02 5.75 -1.86 -3.35 115.11 120.89 2i50 h GLN 70 Ca -0.41 -0.58 -0.33 0.00 -0.15 0.00 0.00 58.65 57.17 2i50 h GLN 70 Cb 1.28 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.90 2i50 h GLN 70 CO 0.49 1.20 -1.95 0.39 -2.65 0.00 0.00 178.83 176.31 2i50 n GLU 71 N -4.02 0.68 -3.55 1.69 -0.58 -1.26 -5.01 120.64 108.59 2i50 n GLU 71 Ca -0.07 0.24 -0.21 0.00 -0.42 0.00 0.00 57.16 56.70 2i50 n GLU 71 Cb 0.69 -1.71 0.02 0.00 -0.57 0.00 0.00 31.44 29.86 2i50 n GLU 71 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2i50 n GLN 72 N -3.18 -1.33 0.30 3.49 7.27 -1.26 -4.66 117.38 118.02 2i50 n GLN 72 Ca -0.26 0.82 0.15 0.00 0.07 0.00 0.00 57.00 57.78 2i50 n GLN 72 Cb 1.06 -4.00 0.92 0.00 2.41 0.00 0.00 30.24 30.63 2i50 n GLN 72 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2i50 h HIS 73 N -0.81 0.00 -0.57 3.69 3.86 -1.82 -0.10 115.15 119.40 2i50 h HIS 73 Ca -0.48 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.64 2i50 h HIS 73 Cb 1.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.73 2i50 h HIS 73 CO 0.27 0.00 0.01 0.00 0.86 0.00 0.00 177.93 179.08 2i50 h ALA 74 N 2.00 0.95 0.03 2.45 0.00 -1.81 0.23 119.26 123.11 2i50 h ALA 74 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2i50 h ALA 74 Cb 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2i50 h ALA 74 CO 0.00 0.64 -0.56 1.25 0.00 0.00 0.00 179.25 180.58 2i50 h LEU 75 N 0.90 0.43 -1.89 0.00 5.85 -1.40 -1.24 115.31 117.97 2i50 h LEU 75 Ca 0.17 -0.82 0.07 0.00 0.84 0.00 0.00 57.88 58.13 2i50 h LEU 75 Cb 0.51 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2i50 h LEU 75 CO 0.02 1.20 0.22 0.11 -0.34 0.00 0.00 178.44 179.66 2i50 h LYS 76 N -0.29 0.13 -0.13 1.25 1.57 -1.03 0.12 116.57 118.20 2i50 h LYS 76 Ca -0.08 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 2i50 h LYS 76 Cb 1.32 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 2i50 h LYS 76 CO 0.11 0.09 -0.43 1.25 -0.57 0.00 0.00 179.45 179.90 2i50 h HIS 77 N 0.14 0.36 -0.14 -1.35 2.76 -0.20 0.32 115.15 117.04 2i50 h HIS 77 Ca 0.15 -0.10 -0.17 0.00 -2.20 0.00 0.00 60.37 58.05 2i50 h HIS 77 Cb 0.41 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2i50 h HIS 77 CO -0.00 0.69 -0.62 -0.92 -1.30 0.00 0.00 177.93 175.78 2i50 h TYR 78 N 0.25 0.63 -0.00 5.26 3.20 0.21 -2.98 116.97 123.53 2i50 h TYR 78 Ca 0.02 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.65 2i50 h TYR 78 Cb 0.87 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2i50 h TYR 78 CO 0.02 0.97 -0.06 1.28 -1.64 0.00 0.00 178.16 178.73 2i50 n LEU 79 N -3.91 0.51 -4.77 2.82 4.77 0.21 -4.80 117.00 111.82 2i50 n LEU 79 Ca -0.04 -0.06 -0.38 0.00 -0.03 0.00 0.00 56.01 55.50 2i50 n LEU 79 Cb 0.64 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2i50 n LEU 79 CO 0.47 0.09 0.82 -0.89 -1.33 0.00 0.00 177.39 176.56 2i50 s THR 80 N -2.29 3.22 0.19 -5.08 2.01 0.11 -4.98 115.64 108.81 2i50 s THR 80 Ca 0.35 0.99 -0.31 0.00 0.31 0.00 0.00 61.69 63.03 2i50 s THR 80 Cb 0.21 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 69.09 2i50 s THR 80 CO 0.43 0.05 1.41 -2.16 -0.69 0.00 0.00 174.62 173.66 2i50 s PRO 81 N -2.42 4.31 0.07 4.92 0.04 -1.26 -5.00 135.00 135.66 2i50 s PRO 81 Ca 0.59 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.82 2i50 s PRO 81 Cb -0.29 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 2i50 s PRO 81 CO 0.36 -0.40 -0.07 1.03 0.04 0.00 0.00 177.00 177.96 2i50 s ARG 82 N 0.31 0.68 0.12 4.56 0.52 -1.26 -5.03 118.95 118.86 2i50 s ARG 82 Ca 0.62 -1.08 0.22 0.00 -0.52 0.00 0.00 55.73 54.97 2i50 s ARG 82 Cb -0.39 -0.19 -0.11 0.00 0.52 0.00 0.00 34.95 34.77 2i50 s ARG 82 CO 0.37 -0.00 0.85 -1.13 0.02 0.00 0.00 175.30 175.41 2i50 n SER 83 N 0.60 0.59 -4.41 0.23 3.41 -1.26 -4.92 113.62 107.86 2i50 n SER 83 Ca -0.17 0.23 -0.21 0.00 -0.26 0.00 0.00 58.87 58.46 2i50 n SER 83 Cb 0.58 0.90 -0.10 0.00 -0.26 0.00 0.00 64.21 65.33 2i50 n SER 83 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2i50 s GLU 84 N -3.37 1.51 -0.85 4.33 8.01 -1.26 -5.07 118.70 122.00 2i50 s GLU 84 Ca -0.03 -1.70 -0.24 0.00 0.01 0.00 0.00 54.97 53.01 2i50 s GLU 84 Cb 0.11 -1.39 0.06 0.00 -4.31 0.00 0.00 34.13 28.59 2i50 s GLU 84 CO 0.83 0.22 1.27 -1.25 0.01 0.00 0.00 175.26 176.33 2i50 s PRO 85 N -3.60 3.37 -1.60 0.39 0.04 -1.26 -4.86 135.00 127.47 2i50 s PRO 85 Ca 0.27 -0.83 -0.10 0.00 0.04 0.00 0.00 61.00 60.38 2i50 s PRO 85 Cb -0.01 -4.69 -0.06 0.00 0.04 0.00 0.00 34.50 29.77 2i50 s PRO 85 CO 0.11 -2.07 2.87 0.72 0.04 0.00 0.00 177.00 178.66 2i50 n HIS 86 N 8.60 2.53 -0.34 0.56 8.25 -1.26 -3.98 115.22 129.57 2i50 n HIS 86 Ca 0.15 -3.07 0.12 0.00 -0.26 0.00 0.00 57.72 54.65 2i50 n HIS 86 Cb 0.49 -2.46 0.31 0.00 1.12 0.00 0.00 29.99 29.45 2i50 n HIS 86 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i50 s LEU 88 N -1.02 2.20 0.01 0.00 1.43 -1.26 -0.79 118.68 119.26 2i50 s LEU 88 Ca 0.48 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2i50 s LEU 88 Cb 0.25 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 2i50 s LEU 88 CO 0.33 0.11 -0.02 0.68 0.23 0.00 0.00 176.35 177.68 2i50 s VAL 89 N 0.63 0.06 0.25 -1.59 -7.23 -0.68 0.53 120.40 112.37 2i50 s VAL 89 Ca -0.11 -0.50 0.08 0.00 -1.81 0.00 0.00 61.98 59.65 2i50 s VAL 89 Cb -0.16 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 2i50 s VAL 89 CO 0.03 -0.27 0.08 -1.48 -0.31 0.00 0.00 175.10 173.14 2i50 s LEU 90 N -0.80 3.46 -0.10 1.32 0.05 0.34 -0.06 118.68 122.89 2i50 s LEU 90 Ca -0.09 -0.47 -0.11 0.00 0.05 0.00 0.00 54.13 53.51 2i50 s LEU 90 Cb -0.05 -1.99 -0.05 0.00 -2.05 0.00 0.00 46.19 42.05 2i50 s LEU 90 CO -0.01 -0.01 0.25 -0.94 -0.55 0.00 0.00 176.35 175.10 2i50 s SER 91 N -3.70 6.51 -0.06 1.48 1.04 0.88 -0.51 113.70 119.35 2i50 s SER 91 Ca 0.32 0.60 0.11 0.00 0.48 0.00 0.00 55.95 57.46 2i50 s SER 91 Cb -0.07 -2.15 0.43 0.00 0.10 0.00 0.00 66.02 64.32 2i50 s SER 91 CO 0.22 0.29 1.29 0.18 0.98 0.00 0.00 173.24 176.19 2i50 n LEU 92 N 2.47 2.95 -0.01 2.42 4.77 0.86 -2.03 117.00 128.44 2i50 n LEU 92 Ca -0.16 -1.49 -0.04 0.00 -0.03 0.00 0.00 56.01 54.30 2i50 n LEU 92 Cb 0.53 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2i50 n LEU 92 CO 0.36 0.54 -0.49 0.47 -1.33 0.00 0.00 177.39 176.94 2i50 n ASP 93 N 0.61 0.64 -0.28 -1.43 9.92 -1.26 -4.75 116.55 119.99 2i50 n ASP 93 Ca 0.15 0.10 0.09 0.00 -0.53 0.00 0.00 54.79 54.60 2i50 n ASP 93 Cb 0.55 -0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 40.77 2i50 n ASP 93 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2i50 n ASN 94 N -3.36 1.47 -3.92 -2.24 4.13 -1.26 -4.98 115.26 105.11 2i50 n ASN 94 Ca -0.07 -1.24 -0.29 0.00 1.68 0.00 0.00 54.58 54.66 2i50 n ASN 94 Cb 0.41 0.64 0.02 0.00 -1.54 0.00 0.00 39.78 39.31 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2i50 n TRP 95 N -0.50 -2.18 -4.03 3.10 7.02 -0.86 -4.98 117.44 115.00 2i50 n TRP 95 Ca 0.06 0.88 -0.26 0.00 -1.02 0.00 0.00 57.50 57.16 2i50 n TRP 95 Cb 0.35 -3.94 -0.03 0.00 -2.42 0.00 0.00 31.31 25.27 2i50 n TRP 95 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2i50 s SER 96 N -3.49 4.55 0.04 -0.99 0.01 -1.25 -4.83 113.70 107.74 2i50 s SER 96 Ca 0.56 -1.23 0.06 0.00 1.31 0.00 0.00 55.95 56.65 2i50 s SER 96 Cb -0.28 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 2i50 s SER 96 CO 0.84 -0.92 -0.15 -0.69 0.41 0.00 0.00 173.24 172.73 2i50 s VAL 97 N -2.73 3.03 -0.05 3.43 1.01 -1.25 -0.08 120.40 123.76 2i50 s VAL 97 Ca 0.33 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2i50 s VAL 97 Cb -0.01 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2i50 s VAL 97 CO 0.19 0.33 -0.19 0.86 0.00 0.00 0.00 175.10 176.29 2i50 s TRP 98 N -0.97 1.89 -0.21 5.22 -0.11 0.92 0.07 118.94 125.75 2i50 s TRP 98 Ca 0.16 -0.57 0.01 0.00 1.22 0.00 0.00 56.10 56.92 2i50 s TRP 98 Cb -0.11 -1.27 0.03 0.00 -1.50 0.00 0.00 33.47 30.63 2i50 s TRP 98 CO 0.07 -0.19 -0.16 0.00 -4.62 0.00 0.00 176.95 172.05 2i50 h TYR 100 N 7.91 0.55 0.00 0.00 0.05 -1.25 0.44 116.97 124.66 2i50 h TYR 100 Ca -0.37 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.24 2i50 h TYR 100 Cb 1.11 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 2i50 h TYR 100 CO 0.53 0.65 -0.63 -0.24 -1.05 0.00 0.00 178.16 177.42 2i50 h VAL 101 N 0.46 0.45 0.00 -2.88 3.04 -1.95 -2.88 116.25 112.49 2i50 h VAL 101 Ca 0.08 -1.69 -0.20 0.00 -1.01 0.00 0.00 66.70 63.87 2i50 h VAL 101 Cb 0.57 2.10 -0.03 0.00 -2.01 0.00 0.00 31.29 31.92 2i50 h VAL 101 CO 0.04 0.26 -1.11 0.00 -1.01 0.00 0.00 177.57 175.74 2i50 n ASP 103 N -3.21 -2.18 -2.98 0.00 2.03 0.15 -5.00 116.55 105.37 2i50 n ASP 103 Ca -0.05 -0.61 -0.09 0.00 0.52 0.00 0.00 54.79 54.57 2i50 n ASP 103 Cb 0.92 -5.00 0.02 0.00 -0.72 0.00 0.00 41.12 36.33 2i50 n ASP 103 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2i50 s ASN 104 N -4.29 0.06 -0.21 1.67 4.22 -1.17 -5.03 114.94 110.18 2i50 s ASN 104 Ca 0.01 -1.15 -0.18 0.00 -2.14 0.00 0.00 52.86 49.40 2i50 s ASN 104 Cb -0.00 0.84 -0.03 0.00 1.28 0.00 0.00 41.25 43.33 2i50 s ASN 104 CO 0.71 -1.65 0.51 -0.70 -2.04 0.00 0.00 177.10 173.92 2i50 s GLU 105 N -2.42 4.16 0.12 3.55 2.12 -1.26 -1.76 118.70 123.22 2i50 s GLU 105 Ca 0.16 0.38 -0.23 0.00 0.36 0.00 0.00 54.97 55.64 2i50 s GLU 105 Cb -0.05 -3.58 -0.07 0.00 0.26 0.00 0.00 34.13 30.69 2i50 s GLU 105 CO 0.12 -0.18 0.70 0.08 -0.54 0.00 0.00 175.26 175.44 2i50 s VAL 106 N 1.74 4.53 -0.39 3.70 1.01 0.11 -4.95 120.40 126.16 2i50 s VAL 106 Ca 0.23 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.65 2i50 s VAL 106 Cb -0.15 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.25 2i50 s VAL 106 CO 0.09 0.52 0.19 0.00 0.00 0.00 0.00 175.10 175.91 2i50 s GLN 107 N -1.05 2.54 0.14 2.72 0.00 -1.26 -3.90 119.66 118.85 2i50 s GLN 107 Ca 0.33 -1.39 0.07 0.00 -0.00 0.00 0.00 55.36 54.37 2i50 s GLN 107 Cb -0.22 -3.63 -0.04 0.00 0.00 0.00 0.00 33.01 29.12 2i50 s GLN 107 CO 0.23 -0.85 -0.02 1.52 0.00 0.00 0.00 175.29 176.17 2i50 s TYR 108 N 1.38 2.87 0.25 9.60 1.13 -1.26 -4.89 117.35 126.43 2i50 s TYR 108 Ca 0.02 -0.11 0.09 0.00 -1.41 0.00 0.00 57.07 55.66 2i50 s TYR 108 Cb -0.22 -1.43 -0.04 0.00 -1.10 0.00 0.00 41.96 39.17 2i50 s TYR 108 CO 0.02 0.49 -0.02 0.00 -2.51 0.00 0.00 175.55 173.52 2i50 h SER 110 N 2.11 0.00 1.18 0.00 0.87 -1.97 -0.91 113.55 114.83 2i50 h SER 110 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2i50 h SER 110 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2i50 h SER 110 CO 0.59 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.69 2i50 n SER 111 N -3.03 0.71 -4.92 6.23 7.64 -1.26 -3.98 113.62 115.00 2i50 n SER 111 Ca 0.01 0.60 -0.31 0.00 1.01 0.00 0.00 58.87 60.17 2i50 n SER 111 Cb 0.29 -0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 62.67 2i50 n SER 111 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2i50 s ASN 112 N -4.32 6.38 0.34 6.43 3.84 -0.36 -4.97 114.94 122.28 2i50 s ASN 112 Ca 0.09 0.31 0.10 0.00 0.21 0.00 0.00 52.86 53.57 2i50 s ASN 112 Cb 0.12 -1.98 0.87 0.00 -0.55 0.00 0.00 41.25 39.71 2i50 s ASN 112 CO 0.52 0.17 1.79 -0.61 -2.79 0.00 0.00 177.10 176.18 2i50 h GLN 113 N 3.11 0.61 -0.46 0.43 4.15 -1.86 0.34 115.11 121.43 2i50 h GLN 113 Ca -0.45 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 58.85 2i50 h GLN 113 Cb 1.16 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 2i50 h GLN 113 CO 0.75 0.40 -0.04 1.25 -1.93 0.00 0.00 178.83 179.27 2i50 h LEU 114 N 0.63 0.83 -0.42 -2.39 5.85 -1.91 0.26 115.31 118.16 2i50 h LEU 114 Ca 0.56 -0.33 -0.15 0.00 0.84 0.00 0.00 57.88 58.79 2i50 h LEU 114 Cb 1.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2i50 h LEU 114 CO -0.32 0.96 -0.33 1.23 -0.34 0.00 0.00 178.44 179.64 2i50 h GLY 115 N 0.68 1.05 0.50 3.75 0.00 -1.10 -0.23 103.07 107.72 2i50 h GLY 115 Ca 0.13 -1.03 0.07 0.00 0.00 0.00 0.00 47.33 46.50 2i50 h GLY 115 CO 0.03 0.93 0.20 1.46 0.00 0.00 0.00 176.54 179.16 2i50 h GLN 116 N 0.80 0.37 0.03 4.80 1.08 -0.66 0.00 115.11 121.53 2i50 h GLN 116 Ca 0.08 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.10 2i50 h GLN 116 Cb 0.93 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.28 2i50 h GLN 116 CO 0.09 0.25 -0.61 0.28 -0.95 0.00 0.00 178.83 177.88 2i50 h VAL 117 N 0.38 1.46 -0.98 -0.54 2.07 -0.81 -0.86 116.25 116.98 2i50 h VAL 117 Ca 0.26 -2.16 0.14 0.00 0.82 0.00 0.00 66.70 65.76 2i50 h VAL 117 Cb 0.28 2.74 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 2i50 h VAL 117 CO -0.26 0.62 0.61 0.58 0.02 0.00 0.00 177.57 179.15 2i50 h VAL 118 N -0.20 0.85 -0.34 2.57 2.07 -0.93 0.52 116.25 120.79 2i50 h VAL 118 Ca -0.08 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 2i50 h VAL 118 Cb 1.35 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2i50 h VAL 118 CO 0.12 0.16 -0.02 -0.78 0.02 0.00 0.00 177.57 177.07 2i50 h ASP 119 N 0.86 0.60 -0.11 0.57 1.82 -0.88 0.22 116.42 119.51 2i50 h ASP 119 Ca 0.50 -0.32 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2i50 h ASP 119 Cb 0.65 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2i50 h ASP 119 CO -0.27 0.78 0.06 0.22 -1.61 0.00 0.00 179.24 178.41 2i50 h TYR 120 N 0.41 0.16 0.00 0.28 3.20 0.26 -0.91 116.97 120.37 2i50 h TYR 120 Ca 0.09 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 2i50 h TYR 120 Cb 0.48 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2i50 h TYR 120 CO 0.04 0.21 -0.53 0.28 -1.64 0.00 0.00 178.16 176.52 2i50 h VAL 121 N 0.06 1.34 -0.24 1.81 2.07 0.11 0.71 116.25 122.11 2i50 h VAL 121 Ca 0.04 -1.84 -0.10 0.00 0.82 0.00 0.00 66.70 65.62 2i50 h VAL 121 Cb 0.11 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2i50 h VAL 121 CO -0.01 0.52 -0.29 -0.09 0.02 0.00 0.00 177.57 177.72 2i50 h ARG 122 N 0.00 0.47 0.00 1.57 2.43 -0.15 -0.43 114.38 118.27 2i50 h ARG 122 Ca -0.01 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 2i50 h ARG 122 Cb 0.96 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2i50 h ARG 122 CO 0.07 0.72 -0.03 0.87 -1.51 0.00 0.00 179.97 180.10 2i50 h LYS 123 N 0.41 0.00 -0.04 0.20 1.57 0.30 0.31 116.57 119.33 2i50 h LYS 123 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2i50 h LYS 123 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 2i50 h LYS 123 CO 0.06 0.03 -0.06 1.96 -0.57 0.00 0.00 179.45 180.86 2i50 h GLN 124 N 0.00 0.11 0.05 3.15 1.08 0.20 -3.30 115.11 116.40 2i50 h GLN 124 Ca -0.00 -0.07 -0.24 0.00 -1.45 0.00 0.00 58.65 56.90 2i50 h GLN 124 Cb 0.78 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2i50 h GLN 124 CO 0.00 0.63 -1.05 0.00 -0.95 0.00 0.00 178.83 177.46 2i50 h ALA 125 N 0.48 0.30 -0.03 3.87 0.00 -1.05 -3.51 119.26 119.31 2i50 h ALA 125 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2i50 h ALA 125 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2i50 h ALA 125 CO 0.01 0.96 0.00 0.43 0.00 0.00 0.00 179.25 180.65