#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 -0.32 -3.04 0.52 3.14 -1.26 -4.83 118.33 112.53 2i50 n VAL 6 Ca 0.00 0.59 -0.40 0.00 -2.96 0.00 0.00 64.34 61.58 2i50 n VAL 6 Cb 0.00 -1.02 -0.05 0.00 -1.06 0.00 0.00 33.84 31.71 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 3.43 3.23 -0.61 0.00 5.12 -1.26 -4.27 116.66 122.30 2i50 n ARG 8 Ca -0.02 -3.03 0.06 0.00 -1.93 0.00 0.00 57.85 52.93 2i50 n ARG 8 Cb 0.51 -2.03 0.15 0.00 -1.16 0.00 0.00 32.46 29.93 2i50 n ARG 8 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2i50 n HIS 9 N -0.39 0.00 0.02 -1.55 8.25 -1.26 -4.81 115.22 115.48 2i50 n HIS 9 Ca 0.32 -1.12 -0.13 0.00 -0.26 0.00 0.00 57.72 56.53 2i50 n HIS 9 Cb 1.15 -0.20 -0.09 0.00 1.12 0.00 0.00 29.99 31.97 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 2.11 1.21 0.00 1.59 1.08 -1.96 0.18 117.51 121.73 2i50 h ILE 10 Ca -0.04 -1.10 -0.04 0.00 -0.39 0.00 0.00 64.86 63.30 2i50 h ILE 10 Cb 1.17 1.91 -0.01 0.00 -3.07 0.00 0.00 36.82 36.82 2i50 h ILE 10 CO 0.02 0.27 -0.18 0.03 -0.69 0.00 0.00 178.15 177.59 2i50 h ARG 11 N -0.60 0.00 0.11 2.37 3.08 -1.87 0.40 114.38 117.87 2i50 h ARG 11 Ca -0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.77 2i50 h ARG 11 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2i50 h ARG 11 CO 0.02 0.18 -1.25 0.87 -1.07 0.00 0.00 179.97 178.72 2i50 h LYS 12 N 0.00 0.23 -0.01 0.04 1.57 -1.84 -3.35 116.57 113.21 2i50 h LYS 12 Ca -0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2i50 h LYS 12 Cb 0.53 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2i50 h LYS 12 CO 0.02 1.17 -0.39 0.41 -0.57 0.00 0.00 179.45 180.10 2i50 n GLY 13 N 1.53 -0.05 2.84 3.86 0.00 0.62 -4.55 105.19 109.44 2i50 n GLY 13 Ca -0.08 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.18 0.89 -0.52 0.99 0.20 0.14 -1.59 118.68 116.62 2i50 s LEU 14 Ca 0.14 -0.17 0.04 0.00 0.69 0.00 0.00 54.13 54.83 2i50 s LEU 14 Cb 0.14 -0.59 0.13 0.00 -0.43 0.00 0.00 46.19 45.45 2i50 s LEU 14 CO 0.46 -0.15 0.27 -0.70 -0.29 0.00 0.00 176.35 175.94 2i50 s GLU 15 N 1.74 1.90 0.38 1.98 -6.30 -1.10 -4.46 118.70 112.84 2i50 s GLU 15 Ca 0.03 -2.57 0.12 0.00 -2.50 0.00 0.00 54.97 50.05 2i50 s GLU 15 Cb -0.13 -3.17 0.92 0.00 0.00 0.00 0.00 34.13 31.75 2i50 s GLU 15 CO -0.05 -1.13 1.87 1.96 0.02 0.00 0.00 175.26 177.93 2i50 h GLN 16 N 6.47 0.57 0.37 4.30 4.20 -1.87 -2.25 115.11 126.90 2i50 h GLN 16 Ca -0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2i50 h GLN 16 Cb 0.89 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2i50 h GLN 16 CO 0.66 0.37 -0.19 0.78 -0.67 0.00 0.00 178.83 179.78 2i50 h GLY 17 N 0.58 -0.55 2.00 3.46 0.00 -1.95 -2.54 103.07 104.08 2i50 h GLY 17 Ca 0.45 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2i50 h GLY 17 CO -0.20 -0.20 0.00 3.45 0.00 0.00 0.00 176.54 179.59 2i50 h ASN 18 N -0.53 0.00 0.12 0.19 -0.00 -1.81 -3.15 115.58 110.41 2i50 h ASN 18 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.25 2i50 h ASN 18 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 2i50 h ASN 18 CO 0.07 0.00 -0.11 -0.07 -0.00 0.00 0.00 177.43 177.32 2i50 h LEU 19 N 0.00 -0.28 -0.73 6.14 -0.00 -1.05 -0.44 115.31 118.96 2i50 h LEU 19 Ca 0.00 0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.97 2i50 h LEU 19 Cb 0.77 0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 41.46 2i50 h LEU 19 CO 0.00 -0.17 0.41 0.11 -0.00 0.00 0.00 178.44 178.80 2i50 h LYS 20 N -0.25 0.72 -0.05 1.13 1.79 -1.42 -0.77 116.57 117.72 2i50 h LYS 20 Ca -0.00 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.28 2i50 h LYS 20 Cb 0.23 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2i50 h LYS 20 CO -0.02 0.48 -0.63 0.87 -1.08 0.00 0.00 179.45 179.07 2i50 h LYS 21 N 0.74 0.21 0.05 3.15 1.57 -1.53 -2.81 116.57 117.95 2i50 h LYS 21 Ca 0.33 -0.15 -0.28 0.00 -1.87 0.00 0.00 60.65 58.68 2i50 h LYS 21 Cb 0.23 0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.59 2i50 h LYS 21 CO -0.20 0.77 -1.13 0.00 -0.57 0.00 0.00 179.45 178.32 2i50 h ALA 22 N 1.19 0.09 0.00 3.86 0.00 -0.42 -3.19 119.26 120.79 2i50 h ALA 22 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2i50 h ALA 22 Cb 1.15 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2i50 h ALA 22 CO 0.10 0.70 0.00 1.28 0.00 0.00 0.00 179.25 181.33 2i50 n LEU 23 N -3.81 0.05 0.21 0.00 4.77 -0.36 -1.64 117.00 116.21 2i50 n LEU 23 Ca -0.12 0.51 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 2i50 n LEU 23 Cb 0.93 -0.50 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 2i50 n LEU 23 CO 0.57 -0.17 0.60 0.58 -1.33 0.00 0.00 177.39 177.64 2i50 h VAL 24 N 0.00 0.61 -0.62 4.08 2.07 -1.49 -3.30 116.25 117.60 2i50 h VAL 24 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2i50 h VAL 24 Cb 0.36 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2i50 h VAL 24 CO 0.00 0.07 0.00 0.59 0.02 0.00 0.00 177.57 178.25 2i50 n ASN 25 N -5.23 4.01 -4.81 0.57 3.02 -1.03 -4.98 115.26 106.81 2i50 n ASN 25 Ca -0.10 -2.17 -0.31 0.00 -0.03 0.00 0.00 54.58 51.96 2i50 n ASN 25 Cb 0.27 -0.47 0.04 0.00 -0.61 0.00 0.00 39.78 39.01 2i50 n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i50 s VAL 26 N -1.32 3.87 -0.28 2.41 0.11 -0.65 -5.03 120.40 119.51 2i50 s VAL 26 Ca 0.45 0.68 -0.04 0.00 -2.93 0.00 0.00 61.98 60.14 2i50 s VAL 26 Cb 0.26 -3.33 0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2i50 s VAL 26 CO 0.27 -0.72 0.02 -1.83 -3.33 0.00 0.00 175.10 169.51 2i50 s GLU 27 N -4.74 2.95 -0.05 1.54 1.03 -1.26 -5.02 118.70 113.14 2i50 s GLU 27 Ca 0.60 -0.93 -0.29 0.00 0.03 0.00 0.00 54.97 54.38 2i50 s GLU 27 Cb -0.15 -3.21 -0.02 0.00 -0.80 0.00 0.00 34.13 29.95 2i50 s GLU 27 CO 0.50 -0.44 0.97 -1.58 -1.33 0.00 0.00 175.26 173.38 2i50 s TRP 28 N 1.41 3.59 -1.03 4.83 0.52 -1.26 -3.11 118.94 123.90 2i50 s TRP 28 Ca 0.01 1.62 0.00 0.00 0.02 0.00 0.00 56.10 57.75 2i50 s TRP 28 Cb -0.17 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.02 2i50 s TRP 28 CO -0.01 -0.09 0.00 -1.71 0.02 0.00 0.00 176.95 175.16 2i50 n ASN 29 N 4.35 -4.06 -4.01 2.95 2.85 -1.26 -4.97 115.26 111.11 2i50 n ASN 29 Ca 0.07 0.20 -0.31 0.00 -0.11 0.00 0.00 54.58 54.43 2i50 n ASN 29 Cb 0.50 -2.60 -0.15 0.00 1.24 0.00 0.00 39.78 38.77 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 -2.39 1.97 -0.42 -1.44 1.01 -1.18 -4.94 121.20 113.81 2i50 s ILE 30 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 60.65 58.66 2i50 s ILE 30 Cb 0.00 -2.24 -0.08 0.00 0.01 0.00 0.00 42.46 40.16 2i50 s ILE 30 CO 0.00 -0.23 2.35 0.00 0.00 0.00 0.00 174.94 177.06 2i50 h GLN 32 N 17.13 0.00 0.00 0.00 3.07 -1.55 0.16 115.11 133.91 2i50 h GLN 32 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 2i50 h GLN 32 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 2i50 h GLN 32 CO 1.09 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 176.54 2i50 n ASP 33 N -3.88 0.67 0.05 0.06 2.03 -1.21 -2.42 116.55 111.86 2i50 n ASP 33 Ca -0.02 0.61 -0.12 0.00 0.52 0.00 0.00 54.79 55.78 2i50 n ASP 33 Cb 0.13 -0.77 -0.13 0.00 -0.72 0.00 0.00 41.12 39.62 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 0.04 0.09 -0.66 0.00 2.10 -1.24 -1.52 116.57 115.37 2i50 h LYS 35 Ca -0.17 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2i50 h LYS 35 Cb 1.94 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.28 2i50 h LYS 35 CO 0.14 0.70 0.00 0.25 -2.00 0.00 0.00 179.45 178.55 2i50 n THR 36 N -3.80 1.88 -2.53 0.07 -2.24 -1.17 -4.78 114.28 101.71 2i50 n THR 36 Ca -0.02 -1.19 -0.41 0.00 -2.27 0.00 0.00 64.05 60.16 2i50 n THR 36 Cb 0.64 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 2i50 n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i50 s ASP 37 N -0.89 6.63 -0.07 3.42 -1.08 -0.58 -4.49 116.67 119.63 2i50 s ASP 37 Ca 0.52 -2.28 0.16 0.00 -0.52 0.00 0.00 52.55 50.43 2i50 s ASP 37 Cb 0.34 -2.58 0.54 0.00 -1.46 0.00 0.00 42.92 39.76 2i50 s ASP 37 CO 0.25 -1.39 1.46 -3.20 0.52 0.00 0.00 175.17 172.81 2i50 n ASN 38 N 9.03 3.88 -0.10 -0.34 2.85 -1.26 -4.33 115.26 124.99 2i50 n ASN 38 Ca 0.47 -2.31 -0.13 0.00 -0.11 0.00 0.00 54.58 52.50 2i50 n ASN 38 Cb 0.46 -0.44 -0.04 0.00 1.24 0.00 0.00 39.78 41.01 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2i50 h LYS 39 N 3.06 0.77 -7.15 1.20 1.57 -1.93 -3.44 116.57 110.66 2i50 h LYS 39 Ca 0.00 -0.40 -0.53 0.00 -1.87 0.00 0.00 60.65 57.84 2i50 h LYS 39 Cb 1.13 0.01 0.14 0.00 0.08 0.00 0.00 32.23 33.59 2i50 h LYS 39 CO 0.11 1.03 0.43 0.08 -0.57 0.00 0.00 179.45 180.54 2i50 s VAL 40 N -4.39 2.50 0.25 0.50 1.01 -1.26 -4.92 120.40 114.10 2i50 s VAL 40 Ca -0.12 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 2i50 s VAL 40 Cb 0.09 -2.94 0.25 0.00 0.00 0.00 0.00 36.38 33.78 2i50 s VAL 40 CO 0.84 -0.11 1.69 0.11 0.00 0.00 0.00 175.10 177.64 2i50 h LYS 41 N 0.23 0.30 0.00 2.72 1.57 -1.96 -3.42 116.57 116.01 2i50 h LYS 41 Ca -0.49 -0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 57.81 2i50 h LYS 41 Cb 1.29 -0.07 -0.12 0.00 0.08 0.00 0.00 32.23 33.42 2i50 h LYS 41 CO 0.52 0.20 -0.44 -3.47 -0.57 0.00 0.00 179.45 175.69 2i50 n ASP 42 N -5.12 -0.38 0.00 0.86 -0.08 -1.26 -5.04 116.55 105.52 2i50 n ASP 42 Ca 0.16 -3.07 0.00 0.00 -1.51 0.00 0.00 54.79 50.37 2i50 n ASP 42 Cb 0.50 1.49 0.00 0.00 2.34 0.00 0.00 41.12 45.44 2i50 n ASP 42 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2i50 n LYS 43 N -0.64 1.01 0.26 -0.67 4.76 -1.26 -4.76 118.16 116.87 2i50 n LYS 43 Ca 0.05 -0.81 -0.10 0.00 -2.87 0.00 0.00 58.31 54.58 2i50 n LYS 43 Cb 0.57 -0.71 -0.05 0.00 -1.84 0.00 0.00 35.03 33.00 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 -1.17 -6.80 7.82 0.00 -1.99 -3.47 119.26 113.65 2i50 h ALA 44 Ca 0.00 -0.15 -0.52 0.00 0.00 0.00 0.00 54.91 54.25 2i50 h ALA 44 Cb 0.71 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2i50 h ALA 44 CO 0.00 -1.13 -1.08 0.39 0.00 0.00 0.00 179.25 177.43 2i50 n GLU 45 N -3.83 -1.25 -1.94 0.00 -0.58 -1.26 -4.81 120.64 106.97 2i50 n GLU 45 Ca -0.08 0.60 -0.42 0.00 -0.42 0.00 0.00 57.16 56.83 2i50 n GLU 45 Cb 0.27 -2.33 -0.00 0.00 -0.57 0.00 0.00 31.44 28.81 2i50 n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2i50 n GLU 46 N -3.19 2.93 0.07 3.49 4.71 -1.26 -4.07 120.64 123.33 2i50 n GLU 46 Ca -0.27 -2.77 0.00 0.00 -0.01 0.00 0.00 57.16 54.11 2i50 n GLU 46 Cb 0.67 -3.34 0.00 0.00 -1.01 0.00 0.00 31.44 27.75 2i50 n GLU 46 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2i50 n GLU 47 N 6.70 0.00 -3.86 3.49 0.28 -1.26 -5.06 120.64 120.93 2i50 n GLU 47 Ca 0.51 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 57.26 2i50 n GLU 47 Cb 0.41 -0.16 0.01 0.00 1.43 0.00 0.00 31.44 33.13 2i50 n GLU 47 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2i50 n THR 48 N -3.19 -3.37 0.25 3.84 -1.04 -1.26 -4.85 114.28 104.67 2i50 n THR 48 Ca 0.00 -0.39 0.07 0.00 -2.04 0.00 0.00 64.05 61.69 2i50 n THR 48 Cb 0.00 -3.11 0.23 0.00 -1.82 0.00 0.00 70.33 65.63 2i50 n THR 48 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2i50 n GLU 49 N -4.39 2.56 -4.32 -2.82 0.28 -1.26 -4.70 120.64 105.98 2i50 n GLU 49 Ca -0.22 -1.82 -0.26 0.00 -0.16 0.00 0.00 57.16 54.69 2i50 n GLU 49 Cb 0.64 -1.57 -0.17 0.00 1.43 0.00 0.00 31.44 31.78 2i50 n GLU 49 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2i50 s GLU 50 N -1.61 1.75 -0.86 3.44 -1.05 -1.26 -5.06 118.70 114.05 2i50 s GLU 50 Ca 0.33 -0.39 -0.08 0.00 -0.15 0.00 0.00 54.97 54.68 2i50 s GLU 50 Cb 0.20 -1.56 0.22 0.00 -0.44 0.00 0.00 34.13 32.54 2i50 s GLU 50 CO 0.18 -0.09 0.78 0.15 0.95 0.00 0.00 175.26 177.23 2i50 s LYS 51 N 1.08 3.45 0.67 -4.83 -0.14 -1.26 -5.03 119.74 113.68 2i50 s LYS 51 Ca -0.06 -2.82 -0.11 0.00 -1.36 0.00 0.00 55.97 51.62 2i50 s LYS 51 Cb -0.14 -4.21 -0.01 0.00 -1.68 0.00 0.00 37.83 31.79 2i50 s LYS 51 CO -0.02 -1.25 1.06 -1.25 -0.76 0.00 0.00 175.35 173.14 2i50 s PRO 52 N -0.52 3.15 0.35 -1.68 0.04 -1.18 -4.78 135.00 130.37 2i50 s PRO 52 Ca 0.23 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 2i50 s PRO 52 Cb -0.12 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2i50 s PRO 52 CO -0.08 -0.84 0.58 -1.54 0.04 0.00 0.00 177.00 175.16 2i50 s SER 53 N -4.29 6.32 -0.23 6.66 1.04 -1.26 -4.92 113.70 117.02 2i50 s SER 53 Ca 0.57 0.57 0.01 0.00 0.48 0.00 0.00 55.95 57.58 2i50 s SER 53 Cb -0.11 -2.08 0.06 0.00 0.10 0.00 0.00 66.02 63.98 2i50 s SER 53 CO 0.52 -0.30 -0.06 -0.69 0.98 0.00 0.00 173.24 173.69 2i50 s VAL 54 N -2.31 1.61 -0.18 5.02 1.01 -1.26 -0.15 120.40 124.13 2i50 s VAL 54 Ca 0.42 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 2i50 s VAL 54 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2i50 s VAL 54 CO 0.36 -0.07 0.07 0.26 0.00 0.00 0.00 175.10 175.72 2i50 s TRP 55 N 1.36 3.28 -0.23 5.22 0.52 0.13 -0.09 118.94 129.14 2i50 s TRP 55 Ca -0.06 0.12 -0.09 0.00 0.02 0.00 0.00 56.10 56.09 2i50 s TRP 55 Cb -0.19 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 2i50 s TRP 55 CO -0.06 0.19 0.12 -1.17 0.02 0.00 0.00 176.95 176.05 2i50 s LEU 56 N 0.31 3.92 -0.18 2.99 2.96 0.99 -0.20 118.68 129.46 2i50 s LEU 56 Ca 0.04 0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 2i50 s LEU 56 Cb -0.12 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2i50 s LEU 56 CO -0.00 0.08 1.97 0.00 -1.32 0.00 0.00 176.35 177.07 2i50 n LEU 58 N 9.87 0.00 -0.01 0.00 4.77 0.16 0.07 117.00 131.87 2i50 n LEU 58 Ca 0.24 0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 56.31 2i50 n LEU 58 Cb 0.44 -0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 2i50 n LEU 58 CO 0.66 -0.12 -0.60 0.50 -1.33 0.00 0.00 177.39 176.50 2i50 h LYS 59 N 0.00 0.22 0.00 3.23 1.63 -1.41 -2.91 116.57 117.33 2i50 h LYS 59 Ca 0.00 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 2i50 h LYS 59 Cb 0.18 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2i50 h LYS 59 CO 0.00 1.18 -0.02 0.00 -3.45 0.00 0.00 179.45 177.16 2i50 n GLY 61 N 0.40 0.62 3.65 0.00 0.00 0.11 -4.62 105.19 105.35 2i50 n GLY 61 Ca 0.00 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 3.36 -0.07 1.61 5.04 -1.25 -4.82 115.29 117.15 2i50 s HIS 62 Ca 0.00 1.07 -0.19 0.00 -1.54 0.00 0.00 55.06 54.40 2i50 s HIS 62 Cb 0.00 -2.94 -0.05 0.00 0.04 0.00 0.00 32.58 29.63 2i50 s HIS 62 CO 0.00 -0.28 0.51 -0.65 -2.34 0.00 0.00 174.74 171.98 2i50 s GLN 63 N 2.33 4.29 0.03 2.88 1.11 -1.26 -0.27 119.66 128.76 2i50 s GLN 63 Ca 0.33 0.54 0.02 0.00 0.01 0.00 0.00 55.36 56.27 2i50 s GLN 63 Cb -0.16 -3.39 -0.02 0.00 -1.01 0.00 0.00 33.01 28.44 2i50 s GLN 63 CO 0.10 0.27 -0.08 0.20 0.01 0.00 0.00 175.29 175.79 2i50 s GLY 64 N 0.21 0.46 0.15 3.09 0.00 0.72 -1.38 107.32 110.58 2i50 s GLY 64 Ca 0.28 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 2i50 s GLY 64 CO 0.13 -0.65 0.88 0.00 0.00 0.00 0.00 173.10 173.46 2i50 n GLY 66 N 1.89 0.82 0.00 0.00 0.00 0.79 -2.04 105.19 106.65 2i50 n GLY 66 Ca -0.02 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.55 2i50 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i50 n ARG 67 N 0.00 0.25 -0.35 1.61 1.74 -1.26 -2.11 116.66 116.53 2i50 n ARG 67 Ca 0.00 0.10 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 2i50 n ARG 67 Cb 0.00 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.18 2i50 n ARG 67 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2i50 n ASN 68 N -1.32 3.17 -4.69 0.55 3.02 -1.26 -4.86 115.26 109.86 2i50 n ASN 68 Ca 0.09 -2.16 -0.26 0.00 -0.03 0.00 0.00 54.58 52.23 2i50 n ASN 68 Cb 0.18 -0.42 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 2i50 n ASN 68 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2i50 s SER 69 N -0.89 4.24 0.07 6.41 1.04 -0.90 -3.10 113.70 120.56 2i50 s SER 69 Ca 0.36 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.62 2i50 s SER 69 Cb 0.21 -0.46 -0.27 0.00 0.10 0.00 0.00 66.02 65.60 2i50 s SER 69 CO 0.21 -0.48 1.11 0.06 0.98 0.00 0.00 173.24 175.11 2i50 h GLN 70 N 1.57 0.21 0.08 4.02 3.07 -1.89 -3.36 115.11 118.81 2i50 h GLN 70 Ca -0.43 -0.35 -0.29 0.00 0.09 0.00 0.00 58.65 57.67 2i50 h GLN 70 Cb 1.25 0.13 -0.02 0.00 0.08 0.00 0.00 27.48 28.92 2i50 h GLN 70 CO 0.73 1.14 -1.47 0.93 0.09 0.00 0.00 178.83 180.25 2i50 h GLU 71 N 0.06 0.18 -6.36 0.06 4.39 -1.94 -3.48 114.58 107.47 2i50 h GLU 71 Ca -0.13 -0.31 -0.47 0.00 0.34 0.00 0.00 59.36 58.79 2i50 h GLU 71 Cb 1.94 0.11 0.02 0.00 -0.10 0.00 0.00 28.75 30.73 2i50 h GLU 71 CO 0.18 1.02 -0.92 0.94 -1.16 0.00 0.00 179.01 179.07 2i50 n GLN 72 N -3.39 -2.25 0.28 2.33 7.27 -1.26 -4.80 117.38 115.57 2i50 n GLN 72 Ca -0.14 0.42 0.18 0.00 0.07 0.00 0.00 57.00 57.54 2i50 n GLN 72 Cb 1.03 -4.27 0.97 0.00 2.41 0.00 0.00 30.24 30.38 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 -1.91 0.00 -0.68 3.69 3.86 -1.72 -0.44 115.15 117.95 2i50 h HIS 73 Ca -0.65 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.49 2i50 h HIS 73 Cb 1.37 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.81 2i50 h HIS 73 CO 0.41 0.00 0.15 0.00 0.86 0.00 0.00 177.93 179.35 2i50 h ALA 74 N 1.85 0.89 -0.16 2.45 0.00 -1.64 0.51 119.26 123.17 2i50 h ALA 74 Ca 0.03 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2i50 h ALA 74 Cb 0.24 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2i50 h ALA 74 CO -0.00 0.63 -0.52 -0.07 0.00 0.00 0.00 179.25 179.29 2i50 h LEU 75 N 1.02 0.73 -0.86 0.00 3.38 -1.33 -1.10 115.31 117.15 2i50 h LEU 75 Ca 0.21 -0.60 0.18 0.00 0.09 0.00 0.00 57.88 57.76 2i50 h LEU 75 Cb 0.39 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.82 2i50 h LEU 75 CO 0.01 1.21 0.39 0.50 0.09 0.00 0.00 178.44 180.63 2i50 h LYS 76 N 0.30 0.47 -0.03 1.13 3.64 -1.39 0.28 116.57 120.97 2i50 h LYS 76 Ca -0.02 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2i50 h LYS 76 Cb 1.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2i50 h LYS 76 CO 0.11 0.31 -0.49 1.25 -2.27 0.00 0.00 179.45 178.36 2i50 h HIS 77 N 0.48 0.08 -0.18 1.91 2.76 -0.15 0.18 115.15 120.23 2i50 h HIS 77 Ca 0.50 -0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.45 2i50 h HIS 77 Cb 0.85 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.79 2i50 h HIS 77 CO -0.13 0.55 -0.68 -0.92 -1.30 0.00 0.00 177.93 175.45 2i50 h TYR 78 N 0.06 0.94 -0.00 5.26 3.20 0.04 -3.11 116.97 123.35 2i50 h TYR 78 Ca -0.00 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2i50 h TYR 78 Cb 0.89 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2i50 h TYR 78 CO 0.00 1.18 -0.01 1.28 -1.64 0.00 0.00 178.16 178.97 2i50 n LEU 79 N -3.94 0.07 -4.72 2.82 4.77 0.85 -4.78 117.00 112.07 2i50 n LEU 79 Ca -0.05 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 2i50 n LEU 79 Cb 0.69 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 2i50 n LEU 79 CO 0.51 0.01 1.18 -0.89 -1.33 0.00 0.00 177.39 176.87 2i50 s THR 80 N -2.43 2.85 -0.10 -5.08 2.01 0.55 -4.94 115.64 108.50 2i50 s THR 80 Ca 0.33 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 2i50 s THR 80 Cb 0.21 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2i50 s THR 80 CO 0.44 0.05 1.31 -2.16 -0.69 0.00 0.00 174.62 173.57 2i50 s PRO 81 N 1.16 4.27 0.24 4.92 0.04 -1.26 -4.97 135.00 139.40 2i50 s PRO 81 Ca 0.68 1.77 -0.17 0.00 0.04 0.00 0.00 61.00 63.32 2i50 s PRO 81 Cb -0.41 -3.70 0.01 0.00 0.04 0.00 0.00 34.50 30.44 2i50 s PRO 81 CO 0.31 -0.63 0.57 -0.98 0.04 0.00 0.00 177.00 176.31 2i50 s ARG 82 N 3.01 1.57 0.00 4.56 1.70 -1.26 -5.06 118.95 123.47 2i50 s ARG 82 Ca 0.58 -1.04 -0.02 0.00 -0.47 0.00 0.00 55.73 54.79 2i50 s ARG 82 Cb -0.25 0.53 -0.27 0.00 -0.57 0.00 0.00 34.95 34.39 2i50 s ARG 82 CO 0.20 -0.68 0.86 0.77 -1.08 0.00 0.00 175.30 175.37 2i50 h SER 83 N 2.15 0.36 -3.61 -2.89 0.02 -2.04 -3.45 113.55 104.09 2i50 h SER 83 Ca -0.25 -0.50 -0.50 0.00 -0.84 0.00 0.00 61.79 59.70 2i50 h SER 83 Cb 1.25 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.68 2i50 h SER 83 CO 0.32 1.42 0.08 -1.61 -1.14 0.00 0.00 176.83 175.90 2i50 s GLU 84 N -2.62 3.72 -0.06 3.45 0.41 -1.26 -5.03 118.70 117.31 2i50 s GLU 84 Ca -0.09 0.37 -0.27 0.00 -0.41 0.00 0.00 54.97 54.57 2i50 s GLU 84 Cb 0.07 -2.42 -0.22 0.00 -1.78 0.00 0.00 34.13 29.77 2i50 s GLU 84 CO 0.85 -0.03 1.10 -1.00 -0.49 0.00 0.00 175.26 175.69 2i50 h PRO 85 N 1.16 0.03 -5.98 0.39 0.13 -1.87 -3.48 132.00 122.38 2i50 h PRO 85 Ca -0.47 -0.02 -0.42 0.00 -0.87 0.00 0.00 66.00 64.21 2i50 h PRO 85 Cb 1.19 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.41 2i50 h PRO 85 CO 0.64 0.69 -0.71 0.72 -0.23 0.00 0.00 178.00 179.11 2i50 n HIS 86 N -4.74 -2.70 -0.56 1.56 8.25 -1.26 -4.86 115.22 110.91 2i50 n HIS 86 Ca -0.09 0.98 0.10 0.00 -0.26 0.00 0.00 57.72 58.45 2i50 n HIS 86 Cb 0.35 -4.73 0.36 0.00 1.12 0.00 0.00 29.99 27.08 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 -1.65 2.41 0.02 0.00 1.43 -1.26 -1.05 118.68 118.58 2i50 s LEU 88 Ca 0.51 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2i50 s LEU 88 Cb 0.32 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 2i50 s LEU 88 CO 0.27 0.01 -0.08 0.68 0.23 0.00 0.00 176.35 177.46 2i50 s VAL 89 N 1.25 0.59 0.17 -1.59 -7.23 -0.68 0.38 120.40 113.30 2i50 s VAL 89 Ca 0.03 -0.64 0.08 0.00 -1.81 0.00 0.00 61.98 59.64 2i50 s VAL 89 Cb -0.14 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2i50 s VAL 89 CO -0.08 -0.05 -0.04 -1.48 -0.31 0.00 0.00 175.10 173.14 2i50 s LEU 90 N -0.76 3.18 -0.08 1.32 0.05 0.73 0.02 118.68 123.15 2i50 s LEU 90 Ca -0.02 -0.46 -0.17 0.00 0.05 0.00 0.00 54.13 53.53 2i50 s LEU 90 Cb -0.06 -1.85 -0.05 0.00 -2.05 0.00 0.00 46.19 42.18 2i50 s LEU 90 CO 0.00 0.10 0.47 -0.94 -0.55 0.00 0.00 176.35 175.43 2i50 s SER 91 N -2.85 6.73 -0.08 1.48 1.04 0.51 -0.01 113.70 120.53 2i50 s SER 91 Ca 0.26 0.87 0.08 0.00 0.48 0.00 0.00 55.95 57.64 2i50 s SER 91 Cb -0.09 -2.28 0.36 0.00 0.10 0.00 0.00 66.02 64.10 2i50 s SER 91 CO 0.17 0.09 1.14 0.18 0.98 0.00 0.00 173.24 175.80 2i50 n LEU 92 N 3.13 2.77 -0.07 2.42 4.77 0.87 -1.68 117.00 129.23 2i50 n LEU 92 Ca -0.09 -1.40 -0.09 0.00 -0.03 0.00 0.00 56.01 54.40 2i50 n LEU 92 Cb 0.52 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2i50 n LEU 92 CO 0.42 0.44 -0.64 0.47 -1.33 0.00 0.00 177.39 176.75 2i50 n ASP 93 N 0.36 1.73 0.00 -1.43 9.92 -1.26 -4.80 116.55 121.07 2i50 n ASP 93 Ca 0.12 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 2i50 n ASP 93 Cb 0.56 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 2i50 n ASP 93 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2i50 n ASN 94 N -4.22 0.65 -2.72 -2.24 6.94 -1.26 -5.04 115.26 107.38 2i50 n ASN 94 Ca -0.16 -0.95 -0.06 0.00 -0.02 0.00 0.00 54.58 53.40 2i50 n ASN 94 Cb 0.47 0.05 0.03 0.00 -2.36 0.00 0.00 39.78 37.97 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 2i50 n TRP 95 N -0.05 -2.00 -4.07 -2.53 7.02 -0.67 -5.03 117.44 110.11 2i50 n TRP 95 Ca 0.00 0.73 -0.24 0.00 -1.02 0.00 0.00 57.50 56.97 2i50 n TRP 95 Cb 0.07 -3.56 -0.07 0.00 -2.42 0.00 0.00 31.31 25.33 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 -3.02 4.49 -0.03 -0.99 0.01 -1.25 -4.85 113.70 108.05 2i50 s SER 96 Ca 0.17 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.44 2i50 s SER 96 Cb -0.02 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 2i50 s SER 96 CO 0.55 -0.55 -0.17 -0.69 0.41 0.00 0.00 173.24 172.78 2i50 s VAL 97 N -2.58 2.82 -0.05 3.43 1.01 -1.25 -0.36 120.40 123.41 2i50 s VAL 97 Ca 0.42 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2i50 s VAL 97 Cb 0.03 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 2i50 s VAL 97 CO 0.23 0.56 -0.20 0.86 0.00 0.00 0.00 175.10 176.55 2i50 s TRP 98 N -0.73 2.04 -0.24 5.22 -0.11 0.10 -0.21 118.94 125.02 2i50 s TRP 98 Ca 0.12 -0.63 0.01 0.00 1.22 0.00 0.00 56.10 56.82 2i50 s TRP 98 Cb -0.10 -1.36 0.04 0.00 -1.50 0.00 0.00 33.47 30.55 2i50 s TRP 98 CO 0.01 -0.21 -0.12 0.00 -4.62 0.00 0.00 176.95 172.01 2i50 h TYR 100 N 7.89 0.00 0.00 0.00 0.05 -1.37 0.45 116.97 123.99 2i50 h TYR 100 Ca -0.30 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.47 2i50 h TYR 100 Cb 1.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 2i50 h TYR 100 CO 0.57 0.37 -0.63 -0.24 -1.05 0.00 0.00 178.16 177.19 2i50 h VAL 101 N 0.00 0.05 0.00 -2.88 3.04 -1.95 -3.04 116.25 111.48 2i50 h VAL 101 Ca -0.00 -1.08 -0.22 0.00 -1.01 0.00 0.00 66.70 64.38 2i50 h VAL 101 Cb 0.69 1.74 -0.04 0.00 -2.01 0.00 0.00 31.29 31.68 2i50 h VAL 101 CO 0.05 0.03 -1.30 0.00 -1.01 0.00 0.00 177.57 175.34 2i50 n ASP 103 N -3.13 -4.30 -2.48 0.00 2.03 0.16 -4.99 116.55 103.83 2i50 n ASP 103 Ca -0.08 -0.51 -0.08 0.00 0.52 0.00 0.00 54.79 54.64 2i50 n ASP 103 Cb 0.94 -4.54 0.01 0.00 -0.72 0.00 0.00 41.12 36.81 2i50 n ASP 103 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2i50 n ASN 104 N -2.65 -1.72 -4.72 1.67 6.94 -1.17 -5.03 115.26 108.58 2i50 n ASN 104 Ca -0.10 -2.34 -0.38 0.00 -0.02 0.00 0.00 54.58 51.74 2i50 n ASN 104 Cb 0.59 2.91 -0.06 0.00 -2.36 0.00 0.00 39.78 40.86 2i50 n ASN 104 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2i50 s GLU 105 N -2.18 4.35 -0.05 -3.83 2.12 -1.26 -1.68 118.70 116.17 2i50 s GLU 105 Ca 0.15 0.50 -0.14 0.00 0.36 0.00 0.00 54.97 55.84 2i50 s GLU 105 Cb -0.03 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 2i50 s GLU 105 CO 0.11 0.15 0.37 0.08 -0.54 0.00 0.00 175.26 175.43 2i50 s VAL 106 N 0.64 5.14 -0.23 3.70 1.01 0.71 -4.96 120.40 126.41 2i50 s VAL 106 Ca 0.27 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 2i50 s VAL 106 Cb -0.15 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2i50 s VAL 106 CO 0.11 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.71 2i50 s GLN 107 N -0.71 3.30 0.00 2.72 0.00 -1.26 -3.83 119.66 119.88 2i50 s GLN 107 Ca 0.22 -0.68 0.00 0.00 -0.00 0.00 0.00 55.36 54.90 2i50 s GLN 107 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 33.01 29.83 2i50 s GLN 107 CO 0.11 -0.23 0.00 2.48 0.00 0.00 0.00 175.29 177.64 2i50 n TYR 108 N 4.79 0.00 -2.22 9.60 4.11 -1.26 -4.86 117.16 127.31 2i50 n TYR 108 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.72 2i50 n TYR 108 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.84 2i50 n TYR 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2i50 n SER 110 N -1.35 -6.52 0.00 0.00 7.64 -1.26 -4.75 113.62 107.38 2i50 n SER 110 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2i50 n SER 110 Cb 0.50 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 2i50 n SER 110 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2i50 n SER 111 N -3.93 0.00 -4.77 6.43 7.64 -1.26 -4.80 113.62 112.93 2i50 n SER 111 Ca -0.07 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.40 2i50 n SER 111 Cb 0.56 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 2i50 n SER 111 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2i50 s ASN 112 N 0.00 6.50 0.42 6.43 -0.87 -1.26 -4.79 114.94 121.37 2i50 s ASN 112 Ca 0.00 2.88 0.22 0.00 -1.57 0.00 0.00 52.86 54.40 2i50 s ASN 112 Cb 0.00 -2.65 1.21 0.00 -0.02 0.00 0.00 41.25 39.79 2i50 s ASN 112 CO 0.00 -0.78 1.75 -0.61 -2.57 0.00 0.00 177.10 174.90 2i50 h GLN 113 N 3.83 0.29 -0.31 -0.60 4.15 -1.99 0.17 115.11 120.65 2i50 h GLN 113 Ca -0.49 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 58.88 2i50 h GLN 113 Cb 1.23 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2i50 h GLN 113 CO 0.70 0.19 0.06 1.25 -1.93 0.00 0.00 178.83 179.10 2i50 h LEU 114 N 0.30 0.49 -0.51 -2.39 5.85 -1.94 0.01 115.31 117.12 2i50 h LEU 114 Ca 0.62 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 2i50 h LEU 114 Cb 1.76 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 2i50 h LEU 114 CO -0.28 0.62 -0.12 1.23 -0.34 0.00 0.00 178.44 179.55 2i50 h GLY 115 N 0.35 1.07 0.43 3.75 0.00 -1.04 0.31 103.07 107.94 2i50 h GLY 115 Ca 0.10 -0.88 0.08 0.00 0.00 0.00 0.00 47.33 46.62 2i50 h GLY 115 CO 0.01 0.81 0.12 1.46 0.00 0.00 0.00 176.54 178.93 2i50 h GLN 116 N 0.85 0.26 -0.03 4.80 1.08 -0.95 0.11 115.11 121.23 2i50 h GLN 116 Ca 0.13 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.18 2i50 h GLN 116 Cb 0.69 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 28.07 2i50 h GLN 116 CO 0.05 0.17 -0.51 0.28 -0.95 0.00 0.00 178.83 177.87 2i50 h VAL 117 N 0.27 1.42 -0.89 -0.54 2.07 -0.75 -0.53 116.25 117.30 2i50 h VAL 117 Ca 0.24 -1.96 0.14 0.00 0.82 0.00 0.00 66.70 65.93 2i50 h VAL 117 Cb 0.30 2.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 2i50 h VAL 117 CO -0.29 0.57 0.57 0.58 0.02 0.00 0.00 177.57 179.03 2i50 h VAL 118 N -0.09 0.85 -0.15 2.57 2.07 -0.70 0.53 116.25 121.34 2i50 h VAL 118 Ca -0.05 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2i50 h VAL 118 Cb 1.21 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2i50 h VAL 118 CO 0.10 0.13 -0.01 -0.78 0.02 0.00 0.00 177.57 177.03 2i50 h ASP 119 N 0.72 0.27 -0.05 0.57 3.58 -0.60 0.19 116.42 121.10 2i50 h ASP 119 Ca 0.44 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 2i50 h ASP 119 Cb 0.67 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2i50 h ASP 119 CO -0.20 0.53 0.03 0.22 -2.88 0.00 0.00 179.24 176.94 2i50 h TYR 120 N -0.00 0.07 0.00 0.28 3.20 0.17 -1.05 116.97 119.64 2i50 h TYR 120 Ca 0.04 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 2i50 h TYR 120 Cb 0.40 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2i50 h TYR 120 CO 0.04 0.13 -0.44 0.28 -1.64 0.00 0.00 178.16 176.52 2i50 h VAL 121 N -0.01 1.25 -0.29 1.81 2.07 0.09 0.57 116.25 121.75 2i50 h VAL 121 Ca 0.02 -1.55 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 2i50 h VAL 121 Cb 0.08 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2i50 h VAL 121 CO -0.00 0.43 -0.30 -0.09 0.02 0.00 0.00 177.57 177.63 2i50 h ARG 122 N 0.00 0.59 0.00 1.57 2.43 -0.15 0.87 114.38 119.70 2i50 h ARG 122 Ca -0.00 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2i50 h ARG 122 Cb 0.81 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2i50 h ARG 122 CO 0.06 0.83 -0.04 0.87 -1.51 0.00 0.00 179.97 180.17 2i50 h LYS 123 N 0.51 0.00 0.09 0.20 1.57 0.29 0.22 116.57 119.45 2i50 h LYS 123 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2i50 h LYS 123 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2i50 h LYS 123 CO 0.06 0.04 -0.04 1.96 -0.57 0.00 0.00 179.45 180.90 2i50 h GLN 124 N 0.00 -0.12 -0.17 3.15 1.08 0.11 -3.33 115.11 115.84 2i50 h GLN 124 Ca -0.00 0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.07 2i50 h GLN 124 Cb 0.72 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 2i50 h GLN 124 CO 0.01 0.42 -0.48 0.00 -0.95 0.00 0.00 178.83 177.83 2i50 h ALA 125 N -0.13 0.87 0.00 3.87 0.00 -0.80 -3.51 119.26 119.55 2i50 h ALA 125 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2i50 h ALA 125 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2i50 h ALA 125 CO 0.02 0.66 0.00 0.45 0.00 0.00 0.00 179.25 180.38