#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i50 s VAL 6 N 0.00 0.47 -0.03 0.52 0.11 -1.26 -4.98 120.40 115.23 2i50 s VAL 6 Ca 0.00 -2.00 -0.10 0.00 -2.93 0.00 0.00 61.98 56.95 2i50 s VAL 6 Cb 0.00 -2.58 -0.05 0.00 -1.53 0.00 0.00 36.38 32.22 2i50 s VAL 6 CO 0.00 0.00 0.29 0.00 -3.33 0.00 0.00 175.10 172.06 2i50 n ARG 8 N 1.67 2.90 -0.73 0.00 3.00 -1.26 -4.40 116.66 117.83 2i50 n ARG 8 Ca -0.15 -2.21 0.08 0.00 -0.01 0.00 0.00 57.85 55.56 2i50 n ARG 8 Cb 0.53 -1.39 0.37 0.00 0.00 0.00 0.00 32.46 31.98 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 0.35 1.73 0.35 -1.55 8.25 -1.26 -4.51 115.22 118.58 2i50 n HIS 9 Ca 0.14 -0.64 -0.18 0.00 -0.26 0.00 0.00 57.72 56.78 2i50 n HIS 9 Cb 0.52 -0.36 -0.09 0.00 1.12 0.00 0.00 29.99 31.18 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 3.97 0.19 -0.39 1.59 1.08 -1.96 -1.30 117.51 120.68 2i50 h ILE 10 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2i50 h ILE 10 Cb 1.67 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 2i50 h ILE 10 CO 0.35 0.00 0.20 0.03 -0.69 0.00 0.00 178.15 178.04 2i50 h ARG 11 N -0.98 0.53 -0.37 2.37 3.08 -1.83 0.13 114.38 117.31 2i50 h ARG 11 Ca -0.08 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 2i50 h ARG 11 Cb 0.80 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2i50 h ARG 11 CO 0.07 0.41 -0.18 0.87 -1.07 0.00 0.00 179.97 180.07 2i50 h LYS 12 N 0.54 0.68 -0.52 0.04 1.57 -1.75 -3.15 116.57 113.98 2i50 h LYS 12 Ca 0.14 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2i50 h LYS 12 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2i50 h LYS 12 CO -0.02 0.82 0.00 0.41 -0.57 0.00 0.00 179.45 180.09 2i50 n GLY 13 N -0.38 2.76 2.79 3.86 0.00 -0.53 -4.55 105.19 109.13 2i50 n GLY 13 Ca 0.01 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.25 1.16 -0.55 0.99 0.20 -0.06 -1.50 118.68 117.68 2i50 s LEU 14 Ca 0.38 -0.60 0.04 0.00 0.69 0.00 0.00 54.13 54.63 2i50 s LEU 14 Cb 0.21 -0.65 0.14 0.00 -0.43 0.00 0.00 46.19 45.46 2i50 s LEU 14 CO 0.23 -0.25 0.30 -0.70 -0.29 0.00 0.00 176.35 175.64 2i50 s GLU 15 N 1.82 2.05 0.23 1.98 -6.30 -1.07 -4.68 118.70 112.72 2i50 s GLU 15 Ca 0.01 -2.74 -0.07 0.00 -2.50 0.00 0.00 54.97 49.67 2i50 s GLU 15 Cb -0.15 -3.32 0.36 0.00 0.00 0.00 0.00 34.13 31.01 2i50 s GLU 15 CO -0.07 -1.14 1.76 1.96 0.02 0.00 0.00 175.26 177.79 2i50 h GLN 16 N 6.32 0.50 -0.53 4.30 4.20 -1.91 -0.10 115.11 127.88 2i50 h GLN 16 Ca -0.04 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2i50 h GLN 16 Cb 0.87 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 2i50 h GLN 16 CO 0.69 0.33 0.12 0.78 -0.67 0.00 0.00 178.83 180.08 2i50 h GLY 17 N 0.51 0.92 1.64 3.46 0.00 -1.97 -2.40 103.07 105.23 2i50 h GLY 17 Ca 0.36 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 2i50 h GLY 17 CO -0.32 0.55 -0.53 -0.57 0.00 0.00 0.00 176.54 175.67 2i50 h ASN 18 N 0.75 0.42 0.11 0.19 -1.24 -1.77 -3.17 115.58 110.87 2i50 h ASN 18 Ca 0.16 -0.22 0.02 0.00 0.71 0.00 0.00 56.30 56.97 2i50 h ASN 18 Cb 0.36 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 2i50 h ASN 18 CO 0.00 0.87 -0.25 -0.07 -1.29 0.00 0.00 177.43 176.70 2i50 h LEU 19 N 0.30 -0.71 -1.16 0.34 -0.00 -0.55 -1.45 115.31 112.09 2i50 h LEU 19 Ca 0.01 0.08 0.13 0.00 -0.00 0.00 0.00 57.88 58.10 2i50 h LEU 19 Cb 1.03 0.27 -0.08 0.00 -0.00 0.00 0.00 40.66 41.88 2i50 h LEU 19 CO 0.09 -0.34 0.60 0.11 -0.00 0.00 0.00 178.44 178.90 2i50 h LYS 20 N -0.45 0.82 -0.01 1.13 6.56 -1.43 -0.56 116.57 122.63 2i50 h LYS 20 Ca 0.03 -0.05 -0.17 0.00 -1.06 0.00 0.00 60.65 59.40 2i50 h LYS 20 Cb 0.48 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.94 2i50 h LYS 20 CO -0.15 0.54 -0.77 0.87 -2.06 0.00 0.00 179.45 177.88 2i50 h LYS 21 N 0.84 0.12 0.10 3.15 1.79 -1.47 -2.57 116.57 118.53 2i50 h LYS 21 Ca 0.47 -0.12 -0.29 0.00 -2.18 0.00 0.00 60.65 58.53 2i50 h LYS 21 Cb 0.59 0.03 0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2i50 h LYS 21 CO -0.23 0.83 -1.20 0.00 -1.08 0.00 0.00 179.45 177.77 2i50 h ALA 22 N 1.13 0.06 0.00 3.86 0.00 -0.19 -3.23 119.26 120.89 2i50 h ALA 22 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2i50 h ALA 22 Cb 1.36 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2i50 h ALA 22 CO 0.11 0.74 0.00 1.28 0.00 0.00 0.00 179.25 181.38 2i50 n LEU 23 N -3.75 0.10 0.16 0.00 4.77 -0.33 -2.95 117.00 115.00 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 0.97 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2i50 n LEU 23 CO 0.57 -0.11 0.65 0.58 -1.33 0.00 0.00 177.39 177.74 2i50 h VAL 24 N 0.00 0.31 -0.19 4.08 2.07 -1.47 -3.20 116.25 117.85 2i50 h VAL 24 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2i50 h VAL 24 Cb 0.44 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2i50 h VAL 24 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 2i50 n ASN 25 N -5.43 3.36 -4.78 0.57 3.02 -1.23 -5.02 115.26 105.74 2i50 n ASN 25 Ca -0.08 -2.94 -0.33 0.00 -0.03 0.00 0.00 54.58 51.21 2i50 n ASN 25 Cb 0.34 -0.48 0.04 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.66 3.46 -0.26 2.41 0.11 -1.15 -5.02 120.40 117.29 2i50 s VAL 26 Ca 0.37 0.66 -0.08 0.00 -2.93 0.00 0.00 61.98 60.00 2i50 s VAL 26 Cb 0.30 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 2i50 s VAL 26 CO 0.07 -0.44 0.09 -1.83 -3.33 0.00 0.00 175.10 169.67 2i50 s GLU 27 N -4.18 3.68 -0.11 1.54 1.03 -1.26 -5.04 118.70 114.36 2i50 s GLU 27 Ca 0.65 -0.47 -0.23 0.00 0.03 0.00 0.00 54.97 54.96 2i50 s GLU 27 Cb -0.19 -3.39 -0.03 0.00 -0.80 0.00 0.00 34.13 29.72 2i50 s GLU 27 CO 0.42 -0.20 0.68 -1.58 -1.33 0.00 0.00 175.26 173.25 2i50 s TRP 28 N 1.64 3.51 -1.05 4.83 0.52 -1.26 -3.55 118.94 123.58 2i50 s TRP 28 Ca 0.06 1.15 0.00 0.00 0.02 0.00 0.00 56.10 57.34 2i50 s TRP 28 Cb -0.15 -2.81 0.00 0.00 -1.15 0.00 0.00 33.47 29.36 2i50 s TRP 28 CO 0.05 0.00 0.00 -1.71 0.02 0.00 0.00 176.95 175.31 2i50 n ASN 29 N 4.20 -4.42 -3.96 2.95 4.05 -1.26 -4.95 115.26 111.87 2i50 n ASN 29 Ca -0.01 0.24 -0.31 0.00 0.45 0.00 0.00 54.58 54.96 2i50 n ASN 29 Cb 0.51 -2.79 -0.15 0.00 1.23 0.00 0.00 39.78 38.58 2i50 n ASN 29 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2i50 s ILE 30 N -2.29 1.85 -0.57 -1.44 1.01 -1.23 -4.92 121.20 113.60 2i50 s ILE 30 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 60.65 58.54 2i50 s ILE 30 Cb 0.00 -2.25 -0.11 0.00 0.01 0.00 0.00 42.46 40.11 2i50 s ILE 30 CO 0.00 -0.41 2.44 0.00 0.00 0.00 0.00 174.94 176.96 2i50 h GLN 32 N 16.34 0.00 0.00 0.00 3.07 -1.36 -0.33 115.11 132.84 2i50 h GLN 32 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.53 2i50 h GLN 32 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 2i50 h GLN 32 CO 1.18 0.00 0.00 0.22 0.09 0.00 0.00 178.83 180.32 2i50 h ASP 33 N 0.00 0.00 0.94 0.06 3.58 -1.77 0.35 116.42 119.57 2i50 h ASP 33 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2i50 h ASP 33 Cb 0.33 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 2i50 h ASP 33 CO 0.00 0.00 -0.90 0.00 -2.88 0.00 0.00 179.24 175.46 2i50 h LYS 35 N 0.00 0.09 -0.58 0.00 3.64 -1.27 -3.20 116.57 115.26 2i50 h LYS 35 Ca -0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2i50 h LYS 35 Cb 1.61 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 2i50 h LYS 35 CO 0.12 0.87 0.00 0.25 -2.27 0.00 0.00 179.45 178.41 2i50 n THR 36 N -3.28 1.12 -1.97 1.00 -2.24 0.11 -4.77 114.28 104.24 2i50 n THR 36 Ca -0.13 -0.79 -0.30 0.00 -2.27 0.00 0.00 64.05 60.57 2i50 n THR 36 Cb 1.02 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.84 5.02 0.36 3.42 2.15 -1.19 -4.71 116.67 120.88 2i50 s ASP 37 Ca 0.36 -0.20 0.20 0.00 0.43 0.00 0.00 52.55 53.33 2i50 s ASP 37 Cb 0.22 -2.55 0.21 0.00 -0.30 0.00 0.00 42.92 40.50 2i50 s ASP 37 CO 0.19 -2.75 1.51 -1.13 -0.17 0.00 0.00 175.17 172.82 2i50 h ASN 38 N 13.02 0.00 0.66 -0.34 -0.73 -1.91 -3.39 115.58 122.89 2i50 h ASN 38 Ca -0.04 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.10 2i50 h ASN 38 Cb 1.07 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.66 2i50 h ASN 38 CO 1.19 0.22 -0.31 0.11 -0.37 0.00 0.00 177.43 178.26 2i50 h LYS 39 N 0.00 -0.85 -6.81 6.67 1.57 -1.99 -3.44 116.57 111.73 2i50 h LYS 39 Ca -0.00 0.06 -0.48 0.00 -1.87 0.00 0.00 60.65 58.35 2i50 h LYS 39 Cb 1.17 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 2i50 h LYS 39 CO 0.03 -0.57 0.32 0.08 -0.57 0.00 0.00 179.45 178.74 2i50 s VAL 40 N -4.45 4.22 -0.16 0.50 1.01 -1.26 -4.99 120.40 115.27 2i50 s VAL 40 Ca -0.13 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 2i50 s VAL 40 Cb 0.01 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 2i50 s VAL 40 CO 0.39 0.25 0.20 0.29 0.00 0.00 0.00 175.10 176.23 2i50 n LYS 41 N 0.85 0.73 0.01 2.72 4.76 -1.26 -4.71 118.16 121.26 2i50 n LYS 41 Ca 0.00 0.23 -0.00 0.00 -2.87 0.00 0.00 58.31 55.67 2i50 n LYS 41 Cb 0.49 -1.66 -0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2i50 n LYS 41 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2i50 h ASP 42 N 0.05 -0.02 -1.80 4.39 3.32 -1.99 -3.47 116.42 116.90 2i50 h ASP 42 Ca -0.47 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.23 2i50 h ASP 42 Cb 2.00 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 41.48 2i50 h ASP 42 CO 0.04 0.01 -0.40 0.29 -1.72 0.00 0.00 179.24 177.46 2i50 n LYS 43 N -2.20 -1.33 -0.32 3.56 5.02 -1.26 -4.85 118.16 116.78 2i50 n LYS 43 Ca -0.00 0.97 0.03 0.00 -2.02 0.00 0.00 58.31 57.28 2i50 n LYS 43 Cb 0.01 -5.34 0.16 0.00 -0.02 0.00 0.00 35.03 29.83 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i50 n ALA 44 N -0.51 2.93 -1.19 7.82 0.00 -1.26 -4.63 120.51 123.68 2i50 n ALA 44 Ca -0.19 -0.73 -0.43 0.00 0.00 0.00 0.00 53.44 52.09 2i50 n ALA 44 Cb 0.62 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 2i50 n ALA 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i50 n GLU 45 N 0.28 1.64 -0.52 0.00 -0.58 -1.26 -3.80 120.64 116.40 2i50 n GLU 45 Ca 0.11 -1.90 0.01 0.00 -0.42 0.00 0.00 57.16 54.96 2i50 n GLU 45 Cb 0.55 -2.94 0.01 0.00 -0.57 0.00 0.00 31.44 28.50 2i50 n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2i50 n GLU 46 N 6.84 0.06 0.36 3.49 0.28 -1.26 -4.92 120.64 125.49 2i50 n GLU 46 Ca 0.50 -1.12 -0.17 0.00 -0.16 0.00 0.00 57.16 56.21 2i50 n GLU 46 Cb 0.40 -0.53 -0.09 0.00 1.43 0.00 0.00 31.44 32.65 2i50 n GLU 46 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2i50 h GLU 47 N 0.04 -0.85 -0.00 3.44 4.81 -1.99 -2.51 114.58 117.53 2i50 h GLU 47 Ca -0.01 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2i50 h GLU 47 Cb 1.40 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.97 2i50 h GLU 47 CO 0.00 -0.55 -0.10 -2.37 -0.73 0.00 0.00 179.01 175.27 2i50 n THR 48 N -5.45 0.00 -3.30 0.32 5.66 -1.26 -4.93 114.28 105.33 2i50 n THR 48 Ca -0.13 -0.02 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 2i50 n THR 48 Cb 0.37 -0.26 0.01 0.00 -1.55 0.00 0.00 70.33 68.90 2i50 n THR 48 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2i50 n GLU 49 N -1.21 -1.47 -3.48 1.09 1.02 -0.94 -4.98 120.64 110.67 2i50 n GLU 49 Ca 0.12 1.15 -0.38 0.00 -0.02 0.00 0.00 57.16 58.04 2i50 n GLU 49 Cb 0.29 -4.93 -0.06 0.00 -0.02 0.00 0.00 31.44 26.71 2i50 n GLU 49 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2i50 s GLU 50 N -3.90 4.03 -0.67 3.49 1.03 -1.26 -5.02 118.70 116.39 2i50 s GLU 50 Ca 0.12 0.36 0.01 0.00 0.03 0.00 0.00 54.97 55.49 2i50 s GLU 50 Cb -0.03 -3.29 0.17 0.00 -0.80 0.00 0.00 34.13 30.18 2i50 s GLU 50 CO 0.79 0.53 0.47 0.15 -1.33 0.00 0.00 175.26 175.87 2i50 s LYS 51 N -0.55 2.54 1.03 -4.83 3.01 -1.26 -5.06 119.74 114.62 2i50 s LYS 51 Ca 0.23 -2.87 -0.14 0.00 -1.01 0.00 0.00 55.97 52.19 2i50 s LYS 51 Cb -0.16 -3.61 0.20 0.00 -1.01 0.00 0.00 37.83 33.25 2i50 s LYS 51 CO 0.11 -1.20 1.11 -1.25 0.51 0.00 0.00 175.35 174.63 2i50 s PRO 52 N -0.66 0.19 0.39 -1.68 0.04 -1.26 -4.98 135.00 127.05 2i50 s PRO 52 Ca 0.21 0.34 -0.26 0.00 0.04 0.00 0.00 61.00 61.33 2i50 s PRO 52 Cb -0.16 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 2i50 s PRO 52 CO -0.07 -2.85 1.18 -1.54 0.04 0.00 0.00 177.00 173.76 2i50 s SER 53 N -3.66 6.54 -0.20 6.66 1.04 -1.26 -4.85 113.70 117.97 2i50 s SER 53 Ca 0.66 2.38 0.01 0.00 0.48 0.00 0.00 55.95 59.48 2i50 s SER 53 Cb -0.16 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.36 2i50 s SER 53 CO 0.57 -0.66 -0.17 -0.69 0.98 0.00 0.00 173.24 173.27 2i50 s VAL 54 N -1.38 2.23 -0.17 5.02 1.01 -1.26 0.70 120.40 126.53 2i50 s VAL 54 Ca 0.56 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2i50 s VAL 54 Cb -0.32 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2i50 s VAL 54 CO 0.40 0.43 -0.01 0.26 0.00 0.00 0.00 175.10 176.18 2i50 s TRP 55 N 1.28 3.07 -0.21 5.22 0.52 0.94 -0.17 118.94 129.59 2i50 s TRP 55 Ca 0.03 -0.26 -0.08 0.00 0.02 0.00 0.00 56.10 55.81 2i50 s TRP 55 Cb -0.14 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2i50 s TRP 55 CO -0.11 -0.05 0.09 -1.17 0.02 0.00 0.00 176.95 175.74 2i50 s LEU 56 N 0.52 3.82 -0.26 2.99 2.96 0.74 -1.15 118.68 128.30 2i50 s LEU 56 Ca -0.01 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.64 2i50 s LEU 56 Cb -0.14 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2i50 s LEU 56 CO 0.02 0.10 1.79 0.00 -1.32 0.00 0.00 176.35 176.95 2i50 n LEU 58 N 9.66 0.00 -0.05 0.00 4.77 0.17 -0.17 117.00 131.38 2i50 n LEU 58 Ca 0.22 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 2i50 n LEU 58 Cb 0.46 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 2i50 n LEU 58 CO 0.67 -0.10 -0.84 1.17 -1.33 0.00 0.00 177.39 176.96 2i50 n LYS 59 N -1.23 0.68 0.00 3.23 3.00 -0.56 -2.60 118.16 120.69 2i50 n LYS 59 Ca 0.09 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 2i50 n LYS 59 Cb 0.13 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2i50 n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i50 n GLY 61 N 0.09 0.56 3.73 0.00 0.00 0.75 -4.72 105.19 105.61 2i50 n GLY 61 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 3.01 -0.26 1.61 5.04 -1.25 -4.79 115.29 116.65 2i50 s HIS 62 Ca 0.00 0.80 -0.07 0.00 -1.54 0.00 0.00 55.06 54.25 2i50 s HIS 62 Cb 0.00 -3.90 -0.01 0.00 0.04 0.00 0.00 32.58 28.70 2i50 s HIS 62 CO 0.00 -3.15 0.05 -1.14 -2.34 0.00 0.00 174.74 168.16 2i50 s GLN 63 N 0.36 3.46 0.12 2.88 2.00 -1.26 -0.41 119.66 126.80 2i50 s GLN 63 Ca 0.65 -0.60 0.05 0.00 -2.00 0.00 0.00 55.36 53.45 2i50 s GLN 63 Cb -0.44 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.05 2i50 s GLN 63 CO 0.38 -0.26 -0.12 0.20 -0.50 0.00 0.00 175.29 174.99 2i50 s GLY 64 N 1.56 1.00 -0.01 2.59 0.00 -0.30 -0.94 107.32 111.22 2i50 s GLY 64 Ca 0.05 -1.30 -0.15 0.00 0.00 0.00 0.00 44.72 43.32 2i50 s GLY 64 CO 0.02 -1.38 0.42 0.00 0.00 0.00 0.00 173.10 172.16 2i50 n GLY 66 N 1.92 0.35 0.22 0.00 0.00 0.22 -2.18 105.19 105.71 2i50 n GLY 66 Ca -0.13 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.59 2i50 n GLY 66 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2i50 h ARG 67 N 0.00 0.00 -0.58 1.61 0.11 -1.94 -2.96 114.38 110.62 2i50 h ARG 67 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2i50 h ARG 67 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2i50 h ARG 67 CO 0.00 0.06 0.00 0.27 0.10 0.00 0.00 179.97 180.40 2i50 n ASN 68 N -3.12 3.10 -4.93 0.08 6.94 -1.26 -4.81 115.26 111.25 2i50 n ASN 68 Ca 0.03 -2.24 -0.20 0.00 -0.02 0.00 0.00 54.58 52.15 2i50 n ASN 68 Cb 0.50 -0.44 -0.02 0.00 -2.36 0.00 0.00 39.78 37.46 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 -0.79 5.83 0.12 0.53 1.04 -1.12 -4.81 113.70 114.51 2i50 s SER 69 Ca 0.32 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 2i50 s SER 69 Cb 0.20 -1.34 -0.11 0.00 0.10 0.00 0.00 66.02 64.87 2i50 s SER 69 CO 0.17 -0.28 1.29 0.06 0.98 0.00 0.00 173.24 175.46 2i50 h GLN 70 N 1.12 0.38 0.09 4.02 3.07 -1.87 -3.33 115.11 118.58 2i50 h GLN 70 Ca -0.47 -0.43 -0.30 0.00 0.09 0.00 0.00 58.65 57.53 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 0.57 1.11 -1.59 0.93 0.09 0.00 0.00 178.83 179.94 2i50 h GLU 71 N 0.20 0.18 -5.84 0.06 4.39 -1.94 -3.48 114.58 108.15 2i50 h GLU 71 Ca -0.08 -0.31 -0.36 0.00 0.34 0.00 0.00 59.36 58.94 2i50 h GLU 71 Cb 1.62 0.12 0.12 0.00 -0.10 0.00 0.00 28.75 30.51 2i50 h GLU 71 CO 0.17 0.99 -0.83 1.04 -1.16 0.00 0.00 179.01 179.22 2i50 n GLN 72 N -3.37 -4.65 -0.10 2.33 6.02 -1.25 -4.76 117.38 111.61 2i50 n GLN 72 Ca -0.17 0.73 0.09 0.00 -0.01 0.00 0.00 57.00 57.63 2i50 n GLN 72 Cb 1.04 -5.43 0.44 0.00 1.02 0.00 0.00 30.24 27.31 2i50 n GLN 72 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2i50 h HIS 73 N -1.74 0.55 -0.54 1.08 3.86 -1.73 -0.22 115.15 116.42 2i50 h HIS 73 Ca -0.61 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 58.54 2i50 h HIS 73 Cb 1.34 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2i50 h HIS 73 CO 0.41 0.28 0.03 0.00 0.86 0.00 0.00 177.93 179.52 2i50 h ALA 74 N 1.68 1.05 -0.07 2.45 0.00 -1.71 0.17 119.26 122.82 2i50 h ALA 74 Ca 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2i50 h ALA 74 Cb 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2i50 h ALA 74 CO -0.08 0.60 -0.05 -0.07 0.00 0.00 0.00 179.25 179.65 2i50 h LEU 75 N 0.83 0.17 -1.47 0.00 -0.00 -1.34 -1.18 115.31 112.33 2i50 h LEU 75 Ca 0.16 -0.45 0.08 0.00 -0.00 0.00 0.00 57.88 57.67 2i50 h LEU 75 Cb 0.45 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.02 2i50 h LEU 75 CO 0.02 0.58 0.44 0.11 -0.00 0.00 0.00 178.44 179.59 2i50 h LYS 76 N -0.23 0.61 -0.24 1.13 1.57 -0.95 -0.23 116.57 118.22 2i50 h LYS 76 Ca 0.01 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2i50 h LYS 76 Cb 0.52 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2i50 h LYS 76 CO 0.01 0.40 -0.30 1.25 -0.57 0.00 0.00 179.45 180.24 2i50 h HIS 77 N 0.63 0.55 -0.41 -1.35 2.76 -0.10 0.31 115.15 117.54 2i50 h HIS 77 Ca 0.30 -0.13 -0.15 0.00 -2.20 0.00 0.00 60.37 58.19 2i50 h HIS 77 Cb 0.35 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2i50 h HIS 77 CO -0.00 0.73 -0.32 -0.92 -1.30 0.00 0.00 177.93 176.13 2i50 h TYR 78 N 0.42 1.09 0.00 5.26 3.20 -0.38 -2.92 116.97 123.63 2i50 h TYR 78 Ca 0.05 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.63 2i50 h TYR 78 Cb 0.74 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.77 2i50 h TYR 78 CO 0.02 1.11 0.00 1.28 -1.64 0.00 0.00 178.16 178.94 2i50 n LEU 79 N -4.08 0.00 -4.75 2.82 4.77 -0.18 -4.77 117.00 110.81 2i50 n LEU 79 Ca -0.01 0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.98 2i50 n LEU 79 Cb 0.51 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2i50 n LEU 79 CO 0.47 -0.05 1.07 -0.89 -1.33 0.00 0.00 177.39 176.66 2i50 s THR 80 N -2.85 2.75 -1.11 -5.08 2.01 1.00 -4.86 115.64 107.50 2i50 s THR 80 Ca 0.17 0.65 -0.21 0.00 0.31 0.00 0.00 61.69 62.60 2i50 s THR 80 Cb 0.17 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 2i50 s THR 80 CO 0.44 0.11 1.92 -0.81 -0.69 0.00 0.00 174.62 175.59 2i50 n PRO 81 N 2.18 1.88 -3.08 4.92 -0.04 -1.26 -4.92 135.00 134.68 2i50 n PRO 81 Ca 0.06 -2.44 -0.32 0.00 -0.04 0.00 0.00 63.50 60.76 2i50 n PRO 81 Cb 0.41 -3.47 -0.05 0.00 -0.04 0.00 0.00 33.50 30.35 2i50 n PRO 81 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2i50 s ARG 82 N 5.59 3.90 0.06 0.54 1.04 -1.26 -5.02 118.95 123.81 2i50 s ARG 82 Ca 0.62 0.55 -0.16 0.00 -1.04 0.00 0.00 55.73 55.70 2i50 s ARG 82 Cb 0.05 -2.44 -0.20 0.00 -2.04 0.00 0.00 34.95 30.31 2i50 s ARG 82 CO 0.11 0.11 1.21 0.77 -0.04 0.00 0.00 175.30 177.46 2i50 h SER 83 N 1.96 0.76 -2.61 -2.89 0.02 -2.03 -3.45 113.55 105.31 2i50 h SER 83 Ca -0.48 -0.69 -0.59 0.00 -0.84 0.00 0.00 61.79 59.19 2i50 h SER 83 Cb 1.18 -0.23 -0.11 0.00 0.14 0.00 0.00 62.40 63.38 2i50 h SER 83 CO 0.65 1.35 -0.67 -1.61 -1.14 0.00 0.00 176.83 175.41 2i50 s GLU 84 N -3.48 2.28 -0.64 3.45 2.02 -1.26 -5.05 118.70 116.02 2i50 s GLU 84 Ca -0.11 -1.28 -0.27 0.00 0.02 0.00 0.00 54.97 53.32 2i50 s GLU 84 Cb 0.06 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 32.08 2i50 s GLU 84 CO 0.87 0.41 1.48 -1.25 0.02 0.00 0.00 175.26 176.80 2i50 s PRO 85 N -3.24 3.09 -0.03 0.39 0.04 -1.26 -4.82 135.00 129.17 2i50 s PRO 85 Ca 0.29 0.25 -0.03 0.00 0.04 0.00 0.00 61.00 61.54 2i50 s PRO 85 Cb -0.08 -4.21 -0.14 0.00 0.04 0.00 0.00 34.50 30.11 2i50 s PRO 85 CO 0.18 -2.22 2.93 0.72 0.04 0.00 0.00 177.00 178.65 2i50 n HIS 86 N 10.33 0.11 0.28 0.56 8.25 -1.26 -4.04 115.22 129.45 2i50 n HIS 86 Ca 0.11 -1.34 0.09 0.00 -0.26 0.00 0.00 57.72 56.32 2i50 n HIS 86 Cb 0.50 -1.15 0.25 0.00 1.12 0.00 0.00 29.99 30.71 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 -1.07 3.57 0.00 0.00 1.43 -1.26 -0.78 118.68 120.58 2i50 s LEU 88 Ca 0.37 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2i50 s LEU 88 Cb 0.20 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 2i50 s LEU 88 CO 0.26 -0.15 -0.11 0.68 0.23 0.00 0.00 176.35 177.26 2i50 s VAL 89 N 1.45 0.87 0.10 -1.59 -7.23 -0.70 0.44 120.40 113.74 2i50 s VAL 89 Ca 0.02 -0.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.65 2i50 s VAL 89 Cb -0.17 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2i50 s VAL 89 CO 0.00 0.15 -0.00 -1.48 -0.31 0.00 0.00 175.10 173.46 2i50 s LEU 90 N -0.50 3.43 -0.06 1.32 0.05 0.66 0.13 118.68 123.71 2i50 s LEU 90 Ca 0.03 -0.21 -0.17 0.00 0.05 0.00 0.00 54.13 53.83 2i50 s LEU 90 Cb -0.05 -2.16 -0.05 0.00 -2.05 0.00 0.00 46.19 41.88 2i50 s LEU 90 CO -0.00 0.16 0.44 -0.94 -0.55 0.00 0.00 176.35 175.47 2i50 s SER 91 N -2.38 6.74 0.00 1.48 1.04 0.99 -0.18 113.70 121.39 2i50 s SER 91 Ca 0.26 0.89 0.06 0.00 0.48 0.00 0.00 55.95 57.63 2i50 s SER 91 Cb -0.11 -2.27 0.18 0.00 0.10 0.00 0.00 66.02 63.91 2i50 s SER 91 CO 0.18 0.16 1.14 0.18 0.98 0.00 0.00 173.24 175.88 2i50 n LEU 92 N 2.78 0.94 -0.02 2.42 4.77 0.76 -2.11 117.00 126.54 2i50 n LEU 92 Ca -0.10 -0.47 -0.05 0.00 -0.03 0.00 0.00 56.01 55.36 2i50 n LEU 92 Cb 0.52 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2i50 n LEU 92 CO 0.40 0.23 -0.35 0.47 -1.33 0.00 0.00 177.39 176.82 2i50 n ASP 93 N 0.01 1.45 -0.25 -1.43 9.92 -1.26 -4.72 116.55 120.27 2i50 n ASP 93 Ca 0.06 0.22 0.09 0.00 -0.53 0.00 0.00 54.79 54.63 2i50 n ASP 93 Cb 0.15 -0.51 -0.04 0.00 -0.64 0.00 0.00 41.12 40.08 2i50 n ASP 93 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2i50 n ASN 94 N -3.91 1.40 -3.39 -2.24 5.15 -1.26 -4.96 115.26 106.04 2i50 n ASN 94 Ca -0.08 -1.20 -0.21 0.00 -0.60 0.00 0.00 54.58 52.49 2i50 n ASN 94 Cb 0.27 0.68 0.08 0.00 -0.53 0.00 0.00 39.78 40.28 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2i50 n TRP 95 N -0.62 -2.58 -3.11 1.20 7.02 -0.90 -5.02 117.44 113.43 2i50 n TRP 95 Ca 0.06 0.94 -0.18 0.00 -1.02 0.00 0.00 57.50 57.30 2i50 n TRP 95 Cb 0.34 -4.84 0.01 0.00 -2.42 0.00 0.00 31.31 24.40 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 -3.53 5.72 -0.03 -0.99 0.01 -1.25 -4.81 113.70 108.82 2i50 s SER 96 Ca 0.43 -0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.42 2i50 s SER 96 Cb -0.19 -0.85 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 2i50 s SER 96 CO 0.69 -0.70 -0.16 -0.69 0.41 0.00 0.00 173.24 172.79 2i50 s VAL 97 N -2.33 2.91 -0.05 3.43 1.01 -1.25 -0.01 120.40 124.11 2i50 s VAL 97 Ca 0.52 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2i50 s VAL 97 Cb -0.10 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 2i50 s VAL 97 CO 0.33 0.55 -0.19 0.86 0.00 0.00 0.00 175.10 176.65 2i50 s TRP 98 N -0.75 1.88 -0.30 5.22 -0.11 0.12 -0.07 118.94 124.92 2i50 s TRP 98 Ca 0.12 -0.57 -0.03 0.00 1.22 0.00 0.00 56.10 56.85 2i50 s TRP 98 Cb -0.11 -1.26 0.04 0.00 -1.50 0.00 0.00 33.47 30.65 2i50 s TRP 98 CO 0.01 -0.19 0.01 0.00 -4.62 0.00 0.00 176.95 172.16 2i50 h TYR 100 N 8.05 0.00 0.00 0.00 0.05 -1.24 0.65 116.97 124.47 2i50 h TYR 100 Ca -0.23 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.48 2i50 h TYR 100 Cb 1.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2i50 h TYR 100 CO 0.61 0.36 -0.43 -0.24 -1.05 0.00 0.00 178.16 177.40 2i50 h VAL 101 N 0.00 0.45 0.05 -2.88 3.04 -1.94 -3.02 116.25 111.95 2i50 h VAL 101 Ca -0.00 -1.66 -0.32 0.00 -1.01 0.00 0.00 66.70 63.70 2i50 h VAL 101 Cb 0.64 2.17 -0.04 0.00 -2.01 0.00 0.00 31.29 32.05 2i50 h VAL 101 CO 0.05 0.26 -1.85 0.00 -1.01 0.00 0.00 177.57 175.02 2i50 n ASP 103 N -3.21 -6.96 -3.19 0.00 2.03 0.22 -5.05 116.55 100.39 2i50 n ASP 103 Ca -0.23 -0.51 -0.10 0.00 0.52 0.00 0.00 54.79 54.46 2i50 n ASP 103 Cb 1.05 -5.12 -0.01 0.00 -0.72 0.00 0.00 41.12 36.32 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 -3.26 0.25 -0.07 1.67 4.22 -1.16 -5.01 114.94 111.57 2i50 s ASN 104 Ca 0.30 -1.18 -0.13 0.00 -2.14 0.00 0.00 52.86 49.71 2i50 s ASN 104 Cb -0.04 0.77 -0.05 0.00 1.28 0.00 0.00 41.25 43.20 2i50 s ASN 104 CO 0.75 -1.50 0.33 -0.70 -2.04 0.00 0.00 177.10 173.94 2i50 s GLU 105 N -2.81 3.93 -0.19 3.55 2.12 -1.26 -1.57 118.70 122.48 2i50 s GLU 105 Ca 0.20 0.24 -0.08 0.00 0.36 0.00 0.00 54.97 55.68 2i50 s GLU 105 Cb -0.03 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2i50 s GLU 105 CO 0.13 0.56 0.08 0.08 -0.54 0.00 0.00 175.26 175.58 2i50 s VAL 106 N -0.59 4.94 -0.40 3.70 1.01 0.89 -4.95 120.40 125.01 2i50 s VAL 106 Ca 0.20 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 2i50 s VAL 106 Cb -0.15 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2i50 s VAL 106 CO 0.09 0.45 0.38 -1.10 0.00 0.00 0.00 175.10 174.92 2i50 s GLN 107 N 0.39 3.18 0.43 2.72 1.11 -1.26 -3.80 119.66 122.43 2i50 s GLN 107 Ca 0.04 -0.75 0.08 0.00 0.01 0.00 0.00 55.36 54.74 2i50 s GLN 107 Cb -0.12 -3.93 -0.00 0.00 -1.01 0.00 0.00 33.01 27.94 2i50 s GLN 107 CO -0.00 -0.74 0.45 1.52 0.01 0.00 0.00 175.29 176.52 2i50 s TYR 108 N 1.98 2.61 0.10 0.91 -0.85 -1.26 -5.00 117.35 115.84 2i50 s TYR 108 Ca 0.10 -0.50 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 2i50 s TYR 108 Cb -0.17 -2.21 -0.04 0.00 0.38 0.00 0.00 41.96 39.92 2i50 s TYR 108 CO 0.12 -0.27 -0.11 0.00 -1.52 0.00 0.00 175.55 173.78 2i50 n SER 110 N 0.61 0.22 -0.95 0.00 7.64 -1.26 -0.78 113.62 119.10 2i50 n SER 110 Ca -0.16 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.40 2i50 n SER 110 Cb 0.57 -0.61 0.22 0.00 -1.01 0.00 0.00 64.21 63.39 2i50 n SER 110 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2i50 n SER 111 N -1.75 2.89 -4.78 6.43 2.88 -1.26 -3.98 113.62 114.06 2i50 n SER 111 Ca 0.03 -1.92 -0.34 0.00 -1.33 0.00 0.00 58.87 55.31 2i50 n SER 111 Cb 0.16 -0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 2i50 n SER 111 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2i50 s ASN 112 N -1.74 5.67 0.42 -3.46 3.84 0.04 -4.97 114.94 114.74 2i50 s ASN 112 Ca 0.34 0.17 0.12 0.00 0.21 0.00 0.00 52.86 53.70 2i50 s ASN 112 Cb 0.21 -1.64 0.96 0.00 -0.55 0.00 0.00 41.25 40.22 2i50 s ASN 112 CO 0.31 0.30 1.99 -0.61 -2.79 0.00 0.00 177.10 176.29 2i50 h GLN 113 N 4.32 0.47 -0.49 0.43 4.15 -1.89 0.29 115.11 122.40 2i50 h GLN 113 Ca -0.50 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 58.81 2i50 h GLN 113 Cb 1.19 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 2i50 h GLN 113 CO 0.61 0.31 -0.03 1.25 -1.93 0.00 0.00 178.83 179.04 2i50 h LEU 114 N 0.49 0.88 -0.37 -2.39 5.85 -1.95 0.76 115.31 118.57 2i50 h LEU 114 Ca 0.27 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 2i50 h LEU 114 Cb 0.42 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2i50 h LEU 114 CO -0.08 0.99 -0.20 1.23 -0.34 0.00 0.00 178.44 180.04 2i50 h GLY 115 N 0.74 0.86 0.73 3.75 0.00 -0.96 0.59 103.07 108.79 2i50 h GLY 115 Ca 0.14 -0.79 0.06 0.00 0.00 0.00 0.00 47.33 46.74 2i50 h GLY 115 CO 0.03 0.72 0.53 1.46 0.00 0.00 0.00 176.54 179.27 2i50 h GLN 116 N 0.59 0.94 0.00 4.80 4.20 -0.19 0.18 115.11 125.62 2i50 h GLN 116 Ca 0.08 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2i50 h GLN 116 Cb 0.76 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2i50 h GLN 116 CO 0.06 0.62 -0.23 0.28 -0.67 0.00 0.00 178.83 178.89 2i50 h VAL 117 N 0.96 1.57 -0.77 -0.54 2.07 -0.64 -0.66 116.25 118.24 2i50 h VAL 117 Ca 0.37 -1.97 0.08 0.00 0.82 0.00 0.00 66.70 66.00 2i50 h VAL 117 Cb 0.16 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 2i50 h VAL 117 CO -0.17 0.54 0.50 0.58 0.02 0.00 0.00 177.57 179.04 2i50 h VAL 118 N -0.55 0.97 -0.38 2.57 2.07 -0.72 0.52 116.25 120.72 2i50 h VAL 118 Ca -0.03 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2i50 h VAL 118 Cb 1.00 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2i50 h VAL 118 CO 0.04 0.13 -0.13 -0.78 0.02 0.00 0.00 177.57 176.86 2i50 h ASP 119 N 0.73 0.77 -0.22 0.57 3.58 -0.59 0.42 116.42 121.68 2i50 h ASP 119 Ca 0.34 -0.38 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2i50 h ASP 119 Cb 0.38 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2i50 h ASP 119 CO -0.13 0.98 0.04 0.22 -2.88 0.00 0.00 179.24 177.47 2i50 h TYR 120 N 0.56 0.39 0.00 0.28 3.20 0.28 -0.88 116.97 120.81 2i50 h TYR 120 Ca 0.09 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2i50 h TYR 120 Cb 0.66 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2i50 h TYR 120 CO 0.05 0.49 -0.52 0.28 -1.64 0.00 0.00 178.16 176.82 2i50 h VAL 121 N 0.18 1.36 -0.29 1.81 2.07 0.19 0.74 116.25 122.31 2i50 h VAL 121 Ca 0.07 -1.80 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 2i50 h VAL 121 Cb 0.31 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2i50 h VAL 121 CO 0.00 0.51 -0.25 -0.09 0.02 0.00 0.00 177.57 177.77 2i50 h ARG 122 N 0.00 0.56 0.00 1.57 2.43 0.15 0.46 114.38 119.56 2i50 h ARG 122 Ca -0.01 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 2i50 h ARG 122 Cb 0.93 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2i50 h ARG 122 CO 0.07 0.77 -0.21 0.87 -1.51 0.00 0.00 179.97 179.95 2i50 h LYS 123 N 0.49 0.00 -0.00 0.20 1.79 0.46 0.31 116.57 119.82 2i50 h LYS 123 Ca 0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 2i50 h LYS 123 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2i50 h LYS 123 CO 0.05 0.21 -0.07 1.96 -1.08 0.00 0.00 179.45 180.52 2i50 h GLN 124 N 0.00 0.05 -0.04 3.15 1.08 0.46 -3.33 115.11 116.48 2i50 h GLN 124 Ca -0.00 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 56.97 2i50 h GLN 124 Cb 0.67 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2i50 h GLN 124 CO 0.03 0.80 -0.74 0.00 -0.95 0.00 0.00 178.83 177.96 2i50 h ALA 125 N 0.26 0.65 -0.00 3.87 0.00 -0.94 -3.51 119.26 119.58 2i50 h ALA 125 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2i50 h ALA 125 Cb 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2i50 h ALA 125 CO 0.01 0.81 0.00 0.43 0.00 0.00 0.00 179.25 180.50