#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 0.00 -0.10 0.52 0.11 -1.26 -4.88 120.40 114.79 2i50 s VAL 6 Ca 0.00 -1.46 -0.22 0.00 -2.93 0.00 0.00 61.98 57.37 2i50 s VAL 6 Cb 0.00 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 2i50 s VAL 6 CO 0.00 -0.02 0.63 0.00 -3.33 0.00 0.00 175.10 172.39 2i50 n ARG 8 N 3.94 2.34 -0.24 0.00 5.12 -1.26 -4.24 116.66 122.32 2i50 n ARG 8 Ca -0.03 -3.08 0.08 0.00 -1.93 0.00 0.00 57.85 52.89 2i50 n ARG 8 Cb 0.51 -1.96 0.13 0.00 -1.16 0.00 0.00 32.46 29.98 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 -0.92 0.00 0.18 -1.55 8.25 -1.26 -4.85 115.22 115.07 2i50 n HIS 9 Ca 0.39 -0.94 -0.11 0.00 -0.26 0.00 0.00 57.72 56.80 2i50 n HIS 9 Cb 1.22 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 32.12 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 1.18 0.00 0.00 1.59 1.08 -1.98 -1.98 117.51 117.41 2i50 h ILE 10 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2i50 h ILE 10 Cb 1.07 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 2i50 h ILE 10 CO 0.00 0.00 -0.09 0.03 -0.69 0.00 0.00 178.15 177.41 2i50 h ARG 11 N -0.59 0.00 0.00 2.37 3.08 -1.89 0.83 114.38 118.18 2i50 h ARG 11 Ca -0.04 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2i50 h ARG 11 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2i50 h ARG 11 CO -0.02 0.09 -0.48 0.87 -1.07 0.00 0.00 179.97 179.35 2i50 h LYS 12 N 0.00 0.00 0.00 0.04 1.57 -1.87 -3.36 116.57 112.95 2i50 h LYS 12 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2i50 h LYS 12 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2i50 h LYS 12 CO 0.01 0.35 -1.54 0.41 -0.57 0.00 0.00 179.45 178.11 2i50 n GLY 13 N 1.21 -0.44 3.63 3.86 0.00 -0.36 -4.38 105.19 108.71 2i50 n GLY 13 Ca 0.01 -0.18 -0.40 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 -4.25 4.08 -0.01 0.99 1.98 0.28 -2.02 118.68 119.73 2i50 s LEU 14 Ca -0.04 0.65 0.06 0.00 -2.89 0.00 0.00 54.13 51.91 2i50 s LEU 14 Cb 0.04 -2.77 -0.02 0.00 0.66 0.00 0.00 46.19 44.11 2i50 s LEU 14 CO 0.38 -0.29 -0.19 -0.70 -1.89 0.00 0.00 176.35 173.66 2i50 s GLU 15 N 2.21 1.47 -0.07 1.98 2.56 -0.88 -4.59 118.70 121.36 2i50 s GLU 15 Ca 0.24 -0.69 -0.03 0.00 0.00 0.00 0.00 54.97 54.49 2i50 s GLU 15 Cb -0.16 -1.44 -0.03 0.00 2.00 0.00 0.00 34.13 34.51 2i50 s GLU 15 CO 0.09 0.39 -0.09 1.04 -0.56 0.00 0.00 175.26 176.13 2i50 n GLN 16 N 2.53 0.16 0.08 4.30 6.02 -1.26 -4.46 117.38 124.74 2i50 n GLN 16 Ca -0.15 0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 56.87 2i50 n GLN 16 Cb 0.54 -0.80 0.19 0.00 1.02 0.00 0.00 30.24 31.19 2i50 n GLN 16 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2i50 h GLY 17 N -0.19 0.32 1.56 1.08 0.00 -1.98 -2.20 103.07 101.66 2i50 h GLY 17 Ca -0.19 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 2i50 h GLY 17 CO -0.11 0.28 -0.55 -0.57 0.00 0.00 0.00 176.54 175.60 2i50 h ASN 18 N 0.24 0.51 -0.57 0.19 -1.24 -1.91 -3.25 115.58 109.56 2i50 h ASN 18 Ca 0.02 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.76 2i50 h ASN 18 Cb 0.87 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.74 2i50 h ASN 18 CO 0.07 0.96 0.37 -0.07 -1.29 0.00 0.00 177.43 177.47 2i50 h LEU 19 N 0.35 0.66 -0.93 0.34 -0.00 -1.62 -1.72 115.31 112.40 2i50 h LEU 19 Ca 0.01 -0.02 0.12 0.00 -0.00 0.00 0.00 57.88 57.98 2i50 h LEU 19 Cb 1.08 -0.17 -0.09 0.00 -0.00 0.00 0.00 40.66 41.49 2i50 h LEU 19 CO 0.10 0.49 0.55 0.11 -0.00 0.00 0.00 178.44 179.69 2i50 h LYS 20 N 0.77 0.83 0.00 1.13 6.56 -1.55 -0.50 116.57 123.81 2i50 h LYS 20 Ca 0.21 -0.05 -0.08 0.00 -1.06 0.00 0.00 60.65 59.67 2i50 h LYS 20 Cb -0.08 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.38 2i50 h LYS 20 CO -0.04 0.55 -0.36 0.87 -2.06 0.00 0.00 179.45 178.41 2i50 h LYS 21 N 0.86 0.00 0.08 3.15 1.57 -1.44 -2.73 116.57 118.06 2i50 h LYS 21 Ca 0.47 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.95 2i50 h LYS 21 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2i50 h LYS 21 CO -0.29 0.36 -1.61 0.00 -0.57 0.00 0.00 179.45 177.35 2i50 h ALA 22 N 1.64 0.42 -0.00 3.86 0.00 -0.84 -3.32 119.26 121.02 2i50 h ALA 22 Ca -0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2i50 h ALA 22 Cb 1.11 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2i50 h ALA 22 CO 0.05 1.28 -0.06 1.28 0.00 0.00 0.00 179.25 181.80 2i50 n LEU 23 N -3.36 0.48 0.33 0.00 4.77 -0.28 -3.24 117.00 115.69 2i50 n LEU 23 Ca -0.18 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.61 2i50 n LEU 23 Cb 1.04 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.95 2i50 n LEU 23 CO 0.48 0.08 0.52 0.58 -1.33 0.00 0.00 177.39 177.73 2i50 h VAL 24 N 0.66 0.00 -0.57 4.08 2.07 -1.59 -3.29 116.25 117.60 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 0.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 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 -4.46 4.51 -4.76 0.57 3.02 -1.25 -4.99 115.26 107.90 2i50 n ASN 25 Ca -0.11 -2.47 -0.34 0.00 -0.03 0.00 0.00 54.58 51.63 2i50 n ASN 25 Cb 0.35 -0.54 0.04 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.89 3.02 -0.29 2.41 0.11 -1.20 -5.01 120.40 117.56 2i50 s VAL 26 Ca 0.47 0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 59.98 2i50 s VAL 26 Cb 0.31 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 32.06 2i50 s VAL 26 CO 0.22 -0.24 0.10 -1.83 -3.33 0.00 0.00 175.10 170.02 2i50 s GLU 27 N -3.80 3.31 -0.09 1.54 1.03 -1.26 -5.04 118.70 114.39 2i50 s GLU 27 Ca 0.70 -0.72 -0.27 0.00 0.03 0.00 0.00 54.97 54.71 2i50 s GLU 27 Cb -0.24 -3.41 -0.02 0.00 -0.80 0.00 0.00 34.13 29.66 2i50 s GLU 27 CO 0.38 -0.37 0.88 -1.58 -1.33 0.00 0.00 175.26 173.24 2i50 s TRP 28 N 1.56 3.53 -0.75 4.83 0.52 -1.26 -3.07 118.94 124.31 2i50 s TRP 28 Ca 0.04 1.45 0.00 0.00 0.02 0.00 0.00 56.10 57.61 2i50 s TRP 28 Cb -0.17 -3.04 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 2i50 s TRP 28 CO 0.04 -0.11 0.00 -1.71 0.02 0.00 0.00 176.95 175.18 2i50 n ASN 29 N 4.56 -4.32 -4.07 2.95 2.85 -1.26 -4.95 115.26 111.02 2i50 n ASN 29 Ca 0.05 0.18 -0.32 0.00 -0.11 0.00 0.00 54.58 54.37 2i50 n ASN 29 Cb 0.50 -2.44 -0.15 0.00 1.24 0.00 0.00 39.78 38.93 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 -2.11 2.42 -0.42 -1.44 1.01 -1.17 -4.93 121.20 114.56 2i50 s ILE 30 Ca 0.00 -1.90 -0.30 0.00 0.00 0.00 0.00 60.65 58.45 2i50 s ILE 30 Cb 0.00 -2.58 -0.10 0.00 0.01 0.00 0.00 42.46 39.80 2i50 s ILE 30 CO 0.00 -0.31 2.32 0.00 0.00 0.00 0.00 174.94 176.95 2i50 n GLN 32 N 8.61 0.14 0.07 0.00 10.64 -0.29 0.17 117.38 136.73 2i50 n GLN 32 Ca 0.40 0.52 0.12 0.00 -1.83 0.00 0.00 57.00 56.21 2i50 n GLN 32 Cb 0.36 -1.87 0.23 0.00 -0.86 0.00 0.00 30.24 28.09 2i50 n GLN 32 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2i50 h ASP 33 N 0.00 0.00 1.13 2.61 3.58 -1.82 -3.28 116.42 118.64 2i50 h ASP 33 Ca 0.00 -0.16 -0.12 0.00 0.42 0.00 0.00 57.03 57.17 2i50 h ASP 33 Cb 0.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2i50 h ASP 33 CO 0.00 0.08 -0.92 0.00 -2.88 0.00 0.00 179.24 175.52 2i50 h LYS 35 N 0.00 0.00 -0.29 0.00 2.10 -1.55 -1.11 116.57 115.72 2i50 h LYS 35 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2i50 h LYS 35 Cb 1.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 2i50 h LYS 35 CO 0.05 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.75 2i50 n THR 36 N -2.87 0.37 1.89 0.07 -2.24 -1.26 -4.06 114.28 106.18 2i50 n THR 36 Ca 0.02 -0.56 0.01 0.00 -2.27 0.00 0.00 64.05 61.26 2i50 n THR 36 Cb 0.34 0.68 0.07 0.00 -2.10 0.00 0.00 70.33 69.31 2i50 n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2i50 n ASP 37 N 0.94 0.19 -4.76 3.42 8.00 -0.42 -4.87 116.55 119.04 2i50 n ASP 37 Ca 0.18 -1.94 -0.35 0.00 0.71 0.00 0.00 54.79 53.38 2i50 n ASP 37 Cb 0.47 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.57 2i50 n ASP 37 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2i50 s ASN 38 N -1.06 5.41 0.00 -2.24 0.01 -1.26 -3.09 114.94 112.71 2i50 s ASN 38 Ca 0.05 2.24 0.00 0.00 -0.71 0.00 0.00 52.86 54.45 2i50 s ASN 38 Cb 0.02 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2i50 s ASN 38 CO 0.04 -1.43 0.00 0.29 -1.51 0.00 0.00 177.10 174.48 2i50 n LYS 39 N -1.56 0.00 -2.25 -0.60 5.02 -1.26 -4.72 118.16 112.78 2i50 n LYS 39 Ca 0.12 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.08 2i50 n LYS 39 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.47 2i50 n LYS 39 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2i50 s VAL 40 N 0.00 3.70 0.00 -0.18 -7.23 -1.23 -3.64 120.40 111.82 2i50 s VAL 40 Ca 0.00 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2i50 s VAL 40 Cb 0.00 -4.64 0.00 0.00 0.56 0.00 0.00 36.38 32.30 2i50 s VAL 40 CO 0.00 -1.35 0.00 0.29 -0.31 0.00 0.00 175.10 173.73 2i50 n LYS 41 N 8.55 0.00 -0.56 4.82 4.76 -1.26 -4.75 118.16 129.72 2i50 n LYS 41 Ca 0.43 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.94 2i50 n LYS 41 Cb 0.47 -3.11 -0.02 0.00 -1.84 0.00 0.00 35.03 30.54 2i50 n LYS 41 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2i50 n ASP 42 N 0.00 -6.14 0.00 4.39 8.00 -1.18 -3.75 116.55 117.87 2i50 n ASP 42 Ca 0.00 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.19 2i50 n ASP 42 Cb 0.00 -1.71 0.40 0.00 -0.02 0.00 0.00 41.12 39.80 2i50 n ASP 42 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2i50 n LYS 43 N -2.65 0.20 -2.72 -1.24 4.76 -1.25 -4.80 118.16 110.46 2i50 n LYS 43 Ca 0.00 0.14 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 2i50 n LYS 43 Cb 0.26 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i50 n ALA 44 N -1.32 -3.46 -0.11 7.82 0.00 -1.25 -4.07 120.51 118.13 2i50 n ALA 44 Ca 0.07 0.97 0.27 0.00 0.00 0.00 0.00 53.44 54.75 2i50 n ALA 44 Cb 0.14 -1.94 0.66 0.00 0.00 0.00 0.00 19.45 18.31 2i50 n ALA 44 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2i50 h GLU 45 N 3.39 0.00 -0.04 0.00 5.08 -1.91 0.86 114.58 121.96 2i50 h GLU 45 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2i50 h GLU 45 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2i50 h GLU 45 CO 0.07 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.23 2i50 n GLU 46 N -3.68 2.56 -0.12 2.33 0.28 -1.26 -4.71 120.64 116.04 2i50 n GLU 46 Ca 0.17 -1.87 -0.24 0.00 -0.16 0.00 0.00 57.16 55.06 2i50 n GLU 46 Cb 1.06 -1.18 -0.08 0.00 1.43 0.00 0.00 31.44 32.67 2i50 n GLU 46 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2i50 n GLU 47 N -0.64 0.53 -0.33 3.44 2.13 0.27 -4.57 120.64 121.46 2i50 n GLU 47 Ca 0.06 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2i50 n GLU 47 Cb 0.39 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.70 2i50 n GLU 47 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2i50 n THR 48 N -4.19 1.61 1.10 6.31 -2.24 -1.01 -3.73 114.28 112.13 2i50 n THR 48 Ca -0.44 -0.33 0.14 0.00 -2.27 0.00 0.00 64.05 61.15 2i50 n THR 48 Cb 0.79 -1.32 0.53 0.00 -2.10 0.00 0.00 70.33 68.23 2i50 n THR 48 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i50 n GLU 49 N 1.22 0.14 -2.47 -0.78 1.02 -1.26 -4.80 120.64 113.71 2i50 n GLU 49 Ca 0.00 -0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.87 2i50 n GLU 49 Cb 0.47 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.44 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 -2.89 2.45 -0.49 3.49 -1.05 -1.24 -5.07 118.70 113.90 2i50 s GLU 50 Ca 0.17 -0.52 0.03 0.00 -0.15 0.00 0.00 54.97 54.50 2i50 s GLU 50 Cb 0.19 -2.36 0.13 0.00 -0.44 0.00 0.00 34.13 31.66 2i50 s GLU 50 CO 0.56 -0.90 0.25 0.15 0.95 0.00 0.00 175.26 176.28 2i50 s LYS 51 N -4.95 1.71 0.63 -4.83 3.01 -1.26 -5.10 119.74 108.94 2i50 s LYS 51 Ca 0.58 -2.39 -0.13 0.00 -1.01 0.00 0.00 55.97 53.02 2i50 s LYS 51 Cb -0.10 -2.94 -0.03 0.00 -1.01 0.00 0.00 37.83 33.75 2i50 s LYS 51 CO 0.41 -1.13 1.04 -1.25 0.51 0.00 0.00 175.35 174.93 2i50 s PRO 52 N -0.05 3.33 0.25 -1.68 0.04 -1.26 -5.02 135.00 130.60 2i50 s PRO 52 Ca 0.17 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 2i50 s PRO 52 Cb -0.25 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 2i50 s PRO 52 CO 0.00 -0.79 1.01 -1.54 0.04 0.00 0.00 177.00 175.72 2i50 s SER 53 N -3.53 7.47 -0.26 6.66 1.04 -1.26 -4.94 113.70 118.87 2i50 s SER 53 Ca 0.59 2.08 -0.03 0.00 0.48 0.00 0.00 55.95 59.06 2i50 s SER 53 Cb -0.13 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.39 2i50 s SER 53 CO 0.47 0.01 -0.02 -0.69 0.98 0.00 0.00 173.24 173.99 2i50 s VAL 54 N -1.07 3.22 -0.17 5.02 1.01 -1.26 -0.48 120.40 126.67 2i50 s VAL 54 Ca 0.43 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2i50 s VAL 54 Cb -0.28 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2i50 s VAL 54 CO 0.36 0.16 0.01 0.26 0.00 0.00 0.00 175.10 175.90 2i50 s TRP 55 N 1.38 3.14 -0.24 5.22 0.52 0.13 -0.13 118.94 128.96 2i50 s TRP 55 Ca 0.01 -0.11 -0.09 0.00 0.02 0.00 0.00 56.10 55.93 2i50 s TRP 55 Cb -0.17 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 2i50 s TRP 55 CO -0.02 0.06 0.12 -1.17 0.02 0.00 0.00 176.95 175.95 2i50 s LEU 56 N 0.38 3.83 -0.21 2.99 2.96 0.95 -0.39 118.68 129.19 2i50 s LEU 56 Ca -0.00 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.61 2i50 s LEU 56 Cb -0.13 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2i50 s LEU 56 CO 0.02 0.04 1.89 0.00 -1.32 0.00 0.00 176.35 176.98 2i50 n LEU 58 N 9.77 0.00 -0.04 0.00 4.77 0.19 0.14 117.00 131.82 2i50 n LEU 58 Ca 0.23 0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 56.18 2i50 n LEU 58 Cb 0.45 -0.18 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 2i50 n LEU 58 CO 0.66 -0.07 -0.93 1.17 -1.33 0.00 0.00 177.39 176.89 2i50 n LYS 59 N -1.18 0.71 0.00 3.23 3.00 -0.86 -2.08 118.16 120.98 2i50 n LYS 59 Ca 0.11 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 2i50 n LYS 59 Cb 0.12 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.49 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 -0.05 0.74 3.73 0.00 0.00 0.12 -4.74 105.19 105.00 2i50 n GLY 61 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.27 3.78 -0.22 1.61 5.04 -1.25 -4.79 115.29 117.19 2i50 s HIS 62 Ca 0.00 1.71 -0.08 0.00 -1.54 0.00 0.00 55.06 55.15 2i50 s HIS 62 Cb 0.00 -3.00 -0.04 0.00 0.04 0.00 0.00 32.58 29.58 2i50 s HIS 62 CO 0.00 0.21 0.09 -0.65 -2.34 0.00 0.00 174.74 172.05 2i50 s GLN 63 N 0.07 3.93 0.01 2.88 1.11 -1.26 0.18 119.66 126.58 2i50 s GLN 63 Ca 0.45 -0.36 0.02 0.00 0.01 0.00 0.00 55.36 55.48 2i50 s GLN 63 Cb -0.22 -3.34 -0.01 0.00 -1.01 0.00 0.00 33.01 28.43 2i50 s GLN 63 CO 0.28 0.10 -0.06 0.20 0.01 0.00 0.00 175.29 175.82 2i50 s GLY 64 N 0.88 0.32 0.10 3.09 0.00 0.47 -1.13 107.32 111.06 2i50 s GLY 64 Ca 0.05 -0.42 -0.26 0.00 0.00 0.00 0.00 44.72 44.09 2i50 s GLY 64 CO 0.03 -0.42 0.82 0.00 0.00 0.00 0.00 173.10 173.52 2i50 n GLY 66 N 2.09 -0.48 0.00 0.00 0.00 0.37 -0.90 105.19 106.27 2i50 n GLY 66 Ca -0.02 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.47 2i50 n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2i50 n ARG 67 N 0.00 0.13 -0.15 1.61 1.85 -1.26 -2.01 116.66 116.84 2i50 n ARG 67 Ca 0.00 0.20 0.03 0.00 -1.00 0.00 0.00 57.85 57.08 2i50 n ARG 67 Cb 0.00 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.01 2i50 n ARG 67 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2i50 n ASN 68 N -1.30 1.44 -4.50 2.89 4.13 -1.26 -4.84 115.26 111.83 2i50 n ASN 68 Ca 0.05 -2.06 -0.23 0.00 1.68 0.00 0.00 54.58 54.01 2i50 n ASN 68 Cb 0.08 -0.23 -0.11 0.00 -1.54 0.00 0.00 39.78 37.98 2i50 n ASN 68 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2i50 s SER 69 N -0.84 2.81 0.30 6.41 1.04 -0.85 -4.44 113.70 118.12 2i50 s SER 69 Ca 0.15 -1.38 0.18 0.00 0.48 0.00 0.00 55.95 55.38 2i50 s SER 69 Cb 0.09 -0.16 0.11 0.00 0.10 0.00 0.00 66.02 66.16 2i50 s SER 69 CO 0.09 -0.57 1.41 0.06 0.98 0.00 0.00 173.24 175.22 2i50 h GLN 70 N 2.01 0.00 0.08 4.02 -0.00 -1.88 -3.31 115.11 116.02 2i50 h GLN 70 Ca -0.42 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 57.90 2i50 h GLN 70 Cb 1.24 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.70 2i50 h GLN 70 CO 0.73 0.33 -1.84 0.93 -0.00 0.00 0.00 178.83 178.98 2i50 h GLU 71 N 0.00 0.16 -6.26 0.06 4.39 -1.94 -3.48 114.58 107.51 2i50 h GLU 71 Ca -0.02 -0.28 -0.45 0.00 0.34 0.00 0.00 59.36 58.95 2i50 h GLU 71 Cb 1.28 0.10 0.02 0.00 -0.10 0.00 0.00 28.75 30.06 2i50 h GLU 71 CO 0.04 0.93 -0.88 1.04 -1.16 0.00 0.00 179.01 178.98 2i50 n GLN 72 N -3.31 -3.30 -0.11 2.33 6.02 -1.25 -4.71 117.38 113.05 2i50 n GLN 72 Ca -0.25 0.50 0.10 0.00 -0.01 0.00 0.00 57.00 57.34 2i50 n GLN 72 Cb 1.05 -4.68 0.45 0.00 1.02 0.00 0.00 30.24 28.08 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 -1.84 0.54 -0.36 1.08 3.86 -1.50 0.13 115.15 117.07 2i50 h HIS 73 Ca -0.63 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 58.54 2i50 h HIS 73 Cb 1.36 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 2i50 h HIS 73 CO 0.44 0.27 -0.01 0.00 0.86 0.00 0.00 177.93 179.48 2i50 h ALA 74 N 1.67 1.32 0.08 2.45 0.00 -1.22 0.15 119.26 123.71 2i50 h ALA 74 Ca 0.28 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2i50 h ALA 74 Cb 0.43 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.09 2i50 h ALA 74 CO -0.09 0.47 -0.91 -0.07 0.00 0.00 0.00 179.25 178.65 2i50 h LEU 75 N 0.53 0.67 -1.51 0.00 4.07 -1.04 -0.88 115.31 117.16 2i50 h LEU 75 Ca 0.11 -0.83 0.14 0.00 0.08 0.00 0.00 57.88 57.39 2i50 h LEU 75 Cb 0.36 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 2i50 h LEU 75 CO 0.01 1.42 0.52 0.11 -1.08 0.00 0.00 178.44 179.42 2i50 h LYS 76 N 0.00 0.48 -0.09 1.13 1.57 -0.72 0.33 116.57 119.27 2i50 h LYS 76 Ca -0.14 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 2i50 h LYS 76 Cb 1.63 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 2i50 h LYS 76 CO 0.18 0.32 -0.56 1.25 -0.57 0.00 0.00 179.45 180.06 2i50 h HIS 77 N 0.49 0.33 -0.07 -1.35 2.76 -0.43 0.27 115.15 117.15 2i50 h HIS 77 Ca 0.38 -0.12 -0.21 0.00 -2.20 0.00 0.00 60.37 58.22 2i50 h HIS 77 Cb 0.79 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.69 2i50 h HIS 77 CO -0.00 0.76 -0.82 -0.92 -1.30 0.00 0.00 177.93 175.65 2i50 h TYR 78 N 0.20 0.73 -0.00 5.26 3.20 0.41 -3.12 116.97 123.65 2i50 h TYR 78 Ca 0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2i50 h TYR 78 Cb 1.05 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2i50 h TYR 78 CO 0.02 1.15 -0.01 1.28 -1.64 0.00 0.00 178.16 178.96 2i50 n LEU 79 N -3.84 0.05 -4.69 2.82 4.77 0.97 -4.72 117.00 112.37 2i50 n LEU 79 Ca -0.06 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 2i50 n LEU 79 Cb 0.77 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 2i50 n LEU 79 CO 0.51 0.01 1.16 -0.89 -1.33 0.00 0.00 177.39 176.85 2i50 s THR 80 N -2.30 3.63 -0.07 -5.08 2.01 0.91 -4.96 115.64 109.78 2i50 s THR 80 Ca 0.37 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.08 2i50 s THR 80 Cb 0.21 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 2i50 s THR 80 CO 0.42 -0.01 1.24 -2.16 -0.69 0.00 0.00 174.62 173.42 2i50 s PRO 81 N 2.58 4.32 0.21 4.92 0.04 -1.26 -4.98 135.00 140.83 2i50 s PRO 81 Ca 0.65 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.24 2i50 s PRO 81 Cb -0.32 -3.61 0.02 0.00 0.04 0.00 0.00 34.50 30.63 2i50 s PRO 81 CO 0.27 -0.52 0.53 -0.98 0.04 0.00 0.00 177.00 176.34 2i50 s ARG 82 N 2.51 1.44 0.21 4.56 1.70 -1.26 -5.06 118.95 123.06 2i50 s ARG 82 Ca 0.57 -0.95 0.14 0.00 -0.47 0.00 0.00 55.73 55.02 2i50 s ARG 82 Cb -0.25 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2i50 s ARG 82 CO 0.21 -0.61 1.30 0.66 -1.08 0.00 0.00 175.30 175.77 2i50 h SER 83 N 2.20 0.00 -3.56 -2.89 4.64 -2.04 -3.45 113.55 108.45 2i50 h SER 83 Ca -0.27 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.38 2i50 h SER 83 Cb 1.26 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.19 2i50 h SER 83 CO 0.36 0.60 -0.72 -1.61 -0.87 0.00 0.00 176.83 174.59 2i50 s GLU 84 N -2.91 2.34 -0.57 4.77 2.02 -1.26 -5.06 118.70 118.03 2i50 s GLU 84 Ca 0.02 -0.89 -0.27 0.00 0.02 0.00 0.00 54.97 53.85 2i50 s GLU 84 Cb 0.08 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.93 2i50 s GLU 84 CO 0.77 0.55 1.14 -1.25 0.02 0.00 0.00 175.26 176.49 2i50 s PRO 85 N -1.93 3.48 -0.40 0.39 0.04 -1.26 -4.85 135.00 130.47 2i50 s PRO 85 Ca 0.20 0.15 -0.04 0.00 0.04 0.00 0.00 61.00 61.35 2i50 s PRO 85 Cb -0.11 -4.02 0.03 0.00 0.04 0.00 0.00 34.50 30.44 2i50 s PRO 85 CO 0.12 -1.64 2.83 0.72 0.04 0.00 0.00 177.00 179.07 2i50 n HIS 86 N 8.25 1.43 -0.04 0.56 8.25 -1.26 -4.26 115.22 128.15 2i50 n HIS 86 Ca 0.07 -1.89 0.12 0.00 -0.26 0.00 0.00 57.72 55.75 2i50 n HIS 86 Cb 0.49 -1.38 0.28 0.00 1.12 0.00 0.00 29.99 30.50 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 -1.18 3.00 0.02 0.00 1.43 -1.26 -1.21 118.68 119.47 2i50 s LEU 88 Ca 0.44 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2i50 s LEU 88 Cb 0.24 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 2i50 s LEU 88 CO 0.32 -0.06 -0.08 0.68 0.23 0.00 0.00 176.35 177.44 2i50 s VAL 89 N 1.43 0.64 0.14 -1.59 -7.23 -0.68 0.55 120.40 113.66 2i50 s VAL 89 Ca 0.04 -0.64 0.06 0.00 -1.81 0.00 0.00 61.98 59.62 2i50 s VAL 89 Cb -0.15 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 2i50 s VAL 89 CO -0.04 -0.03 0.04 -1.48 -0.31 0.00 0.00 175.10 173.28 2i50 s LEU 90 N -0.75 3.53 -0.06 1.32 0.05 0.11 0.20 118.68 123.08 2i50 s LEU 90 Ca -0.01 -0.23 -0.15 0.00 0.05 0.00 0.00 54.13 53.78 2i50 s LEU 90 Cb -0.06 -2.19 -0.05 0.00 -2.05 0.00 0.00 46.19 41.84 2i50 s LEU 90 CO 0.00 0.11 0.39 -0.94 -0.55 0.00 0.00 176.35 175.37 2i50 s SER 91 N -2.78 6.71 -0.09 1.48 1.04 0.98 -0.04 113.70 120.99 2i50 s SER 91 Ca 0.28 0.84 0.08 0.00 0.48 0.00 0.00 55.95 57.63 2i50 s SER 91 Cb -0.10 -2.24 0.41 0.00 0.10 0.00 0.00 66.02 64.18 2i50 s SER 91 CO 0.20 0.22 1.18 0.18 0.98 0.00 0.00 173.24 176.00 2i50 n LEU 92 N 2.51 3.11 -0.02 2.42 4.77 0.81 -1.93 117.00 128.68 2i50 n LEU 92 Ca -0.12 -1.57 -0.06 0.00 -0.03 0.00 0.00 56.01 54.23 2i50 n LEU 92 Cb 0.52 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2i50 n LEU 92 CO 0.39 0.46 -0.52 0.47 -1.33 0.00 0.00 177.39 176.86 2i50 n ASP 93 N 0.40 0.86 -0.00 -1.43 9.92 -1.26 -4.80 116.55 120.23 2i50 n ASP 93 Ca 0.14 0.13 0.04 0.00 -0.53 0.00 0.00 54.79 54.57 2i50 n ASP 93 Cb 0.64 -0.31 -0.05 0.00 -0.64 0.00 0.00 41.12 40.76 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 -3.50 0.57 -3.07 -2.24 5.15 -1.26 -5.01 115.26 105.91 2i50 n ASN 94 Ca -0.10 -0.64 -0.13 0.00 -0.60 0.00 0.00 54.58 53.11 2i50 n ASN 94 Cb 0.41 1.03 0.06 0.00 -0.53 0.00 0.00 39.78 40.75 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 -1.24 -2.24 -4.13 1.20 7.02 -0.81 -5.03 117.44 112.21 2i50 n TRP 95 Ca 0.01 0.79 -0.25 0.00 -1.02 0.00 0.00 57.50 57.03 2i50 n TRP 95 Cb 0.13 -3.96 -0.07 0.00 -2.42 0.00 0.00 31.31 24.99 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 -3.33 4.43 -0.05 -0.99 0.01 -1.25 -4.85 113.70 107.66 2i50 s SER 96 Ca 0.40 -1.10 0.03 0.00 1.31 0.00 0.00 55.95 56.59 2i50 s SER 96 Cb -0.05 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 2i50 s SER 96 CO 0.67 -0.58 -0.13 -0.69 0.41 0.00 0.00 173.24 172.91 2i50 s VAL 97 N -2.62 3.15 -0.08 3.43 1.01 -1.25 -0.02 120.40 124.03 2i50 s VAL 97 Ca 0.40 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.73 2i50 s VAL 97 Cb 0.03 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2i50 s VAL 97 CO 0.22 0.59 -0.22 0.86 0.00 0.00 0.00 175.10 176.55 2i50 s TRP 98 N -0.72 2.29 -0.25 5.22 -0.11 0.13 -0.07 118.94 125.44 2i50 s TRP 98 Ca 0.11 -0.82 0.01 0.00 1.22 0.00 0.00 56.10 56.62 2i50 s TRP 98 Cb -0.11 -1.53 0.04 0.00 -1.50 0.00 0.00 33.47 30.37 2i50 s TRP 98 CO 0.01 -0.31 -0.10 0.00 -4.62 0.00 0.00 176.95 171.93 2i50 h TYR 100 N 7.90 0.00 0.00 0.00 0.05 -1.44 0.54 116.97 124.02 2i50 h TYR 100 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2i50 h TYR 100 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2i50 h TYR 100 CO 0.58 0.40 -0.47 1.55 -1.05 0.00 0.00 178.16 179.18 2i50 n VAL 101 N -4.06 0.43 0.01 -2.88 3.14 -1.26 -2.62 118.33 111.08 2i50 n VAL 101 Ca -0.02 -0.28 -0.12 0.00 -2.96 0.00 0.00 64.34 60.96 2i50 n VAL 101 Cb 0.43 -0.25 -0.14 0.00 -1.06 0.00 0.00 33.84 32.82 2i50 n VAL 101 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i50 n ASP 103 N -3.23 -4.38 -2.82 0.00 2.03 0.19 -5.03 116.55 103.31 2i50 n ASP 103 Ca -0.18 -0.66 -0.05 0.00 0.52 0.00 0.00 54.79 54.41 2i50 n ASP 103 Cb 1.04 -5.16 0.02 0.00 -0.72 0.00 0.00 41.12 36.30 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 -3.17 -1.81 -4.72 1.67 6.94 -1.16 -5.03 115.26 107.97 2i50 n ASN 104 Ca -0.18 -2.13 -0.38 0.00 -0.02 0.00 0.00 54.58 51.87 2i50 n ASN 104 Cb 0.64 2.99 -0.06 0.00 -2.36 0.00 0.00 39.78 41.00 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 -2.06 4.37 0.05 -3.83 2.12 -1.26 -1.69 118.70 116.40 2i50 s GLU 105 Ca 0.17 0.56 -0.09 0.00 0.36 0.00 0.00 54.97 55.97 2i50 s GLU 105 Cb -0.04 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 2i50 s GLU 105 CO 0.08 0.13 0.36 0.08 -0.54 0.00 0.00 175.26 175.38 2i50 s VAL 106 N 0.67 5.15 -0.17 3.70 1.01 0.90 -4.96 120.40 126.70 2i50 s VAL 106 Ca 0.29 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 2i50 s VAL 106 Cb -0.16 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2i50 s VAL 106 CO 0.12 0.34 -0.06 -1.10 0.00 0.00 0.00 175.10 174.40 2i50 s GLN 107 N -1.79 3.54 0.31 2.72 1.11 -1.26 -3.80 119.66 120.48 2i50 s GLN 107 Ca 0.31 -0.58 0.03 0.00 0.01 0.00 0.00 55.36 55.12 2i50 s GLN 107 Cb -0.14 -2.88 -0.05 0.00 -1.01 0.00 0.00 33.01 28.93 2i50 s GLN 107 CO 0.17 0.12 0.10 1.52 0.01 0.00 0.00 175.29 177.21 2i50 s TYR 108 N 0.65 1.73 0.19 0.91 -0.85 -1.26 -4.86 117.35 113.86 2i50 s TYR 108 Ca -0.03 -1.15 -0.11 0.00 -0.52 0.00 0.00 57.07 55.26 2i50 s TYR 108 Cb -0.15 -1.07 -0.00 0.00 0.38 0.00 0.00 41.96 41.12 2i50 s TYR 108 CO 0.02 -0.24 0.36 0.00 -1.52 0.00 0.00 175.55 174.18 2i50 n SER 110 N -0.27 0.67 -0.06 0.00 7.64 -1.26 -0.99 113.62 119.34 2i50 n SER 110 Ca -0.06 0.67 0.14 0.00 1.01 0.00 0.00 58.87 60.63 2i50 n SER 110 Cb 0.63 -0.81 0.57 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.25 0.33 -4.50 6.43 7.64 -1.26 -4.53 113.62 115.49 2i50 n SER 111 Ca 0.02 -0.24 -0.33 0.00 1.01 0.00 0.00 58.87 59.33 2i50 n SER 111 Cb 0.22 -0.14 -0.13 0.00 -1.01 0.00 0.00 64.21 63.15 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 -2.69 4.18 0.46 6.43 3.84 -0.16 -5.02 114.94 121.97 2i50 s ASN 112 Ca 0.22 -0.16 0.14 0.00 0.21 0.00 0.00 52.86 53.27 2i50 s ASN 112 Cb 0.19 -0.97 1.07 0.00 -0.55 0.00 0.00 41.25 41.00 2i50 s ASN 112 CO 0.52 0.34 2.04 -0.61 -2.79 0.00 0.00 177.10 176.60 2i50 h GLN 113 N 5.40 0.31 -0.59 0.43 4.15 -1.86 -0.50 115.11 122.45 2i50 h GLN 113 Ca -0.46 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 58.86 2i50 h GLN 113 Cb 1.16 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 2i50 h GLN 113 CO 0.51 0.21 0.06 1.25 -1.93 0.00 0.00 178.83 178.92 2i50 h LEU 114 N 0.32 0.98 -0.53 -2.39 5.85 -1.95 -0.01 115.31 117.58 2i50 h LEU 114 Ca 0.18 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.46 2i50 h LEU 114 Cb 0.31 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2i50 h LEU 114 CO -0.04 1.01 -0.59 1.23 -0.34 0.00 0.00 178.44 179.71 2i50 h GLY 115 N 0.90 0.52 1.04 3.75 0.00 -1.14 -0.72 103.07 107.42 2i50 h GLY 115 Ca 0.17 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 2i50 h GLY 115 CO 0.02 0.56 0.34 1.46 0.00 0.00 0.00 176.54 178.92 2i50 h GLN 116 N 0.36 1.19 -0.06 4.80 4.20 -0.76 0.60 115.11 125.44 2i50 h GLN 116 Ca -0.00 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 2i50 h GLN 116 Cb 1.13 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2i50 h GLN 116 CO 0.11 0.95 -0.27 0.28 -0.67 0.00 0.00 178.83 179.22 2i50 h VAL 117 N 1.16 1.44 -0.90 -0.54 2.07 -0.83 -0.52 116.25 118.14 2i50 h VAL 117 Ca 0.27 -1.71 0.12 0.00 0.82 0.00 0.00 66.70 66.20 2i50 h VAL 117 Cb 0.19 2.38 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 2i50 h VAL 117 CO -0.02 0.48 0.58 0.58 0.02 0.00 0.00 177.57 179.21 2i50 h VAL 118 N -0.24 0.90 -0.39 2.57 2.07 -1.00 0.45 116.25 120.60 2i50 h VAL 118 Ca -0.02 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2i50 h VAL 118 Cb 0.93 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2i50 h VAL 118 CO 0.06 0.15 -0.01 -0.78 0.02 0.00 0.00 177.57 177.00 2i50 h ASP 119 N 0.80 0.69 -0.35 0.57 3.58 -0.70 0.26 116.42 121.27 2i50 h ASP 119 Ca 0.44 -0.32 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2i50 h ASP 119 Cb 0.57 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2i50 h ASP 119 CO -0.20 0.84 0.11 0.22 -2.88 0.00 0.00 179.24 177.34 2i50 h TYR 120 N 0.53 0.57 -0.03 0.28 3.20 0.56 -0.06 116.97 122.02 2i50 h TYR 120 Ca 0.11 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 2i50 h TYR 120 Cb 0.50 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 2i50 h TYR 120 CO 0.04 0.55 -0.58 0.28 -1.64 0.00 0.00 178.16 176.81 2i50 h VAL 121 N 0.42 1.40 0.00 1.81 2.07 0.00 0.11 116.25 122.07 2i50 h VAL 121 Ca 0.11 -1.97 -0.09 0.00 0.82 0.00 0.00 66.70 65.58 2i50 h VAL 121 Cb 0.25 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2i50 h VAL 121 CO -0.00 0.57 -0.43 -0.09 0.02 0.00 0.00 177.57 177.64 2i50 h ARG 122 N 0.06 0.00 0.00 1.57 2.43 -0.02 0.31 114.38 118.73 2i50 h ARG 122 Ca -0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2i50 h ARG 122 Cb 1.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2i50 h ARG 122 CO 0.08 0.43 -0.66 0.87 -1.51 0.00 0.00 179.97 179.18 2i50 h LYS 123 N 0.00 0.00 0.37 0.20 1.79 0.26 0.20 116.57 119.40 2i50 h LYS 123 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2i50 h LYS 123 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2i50 h LYS 123 CO 0.06 0.66 -0.18 1.96 -1.08 0.00 0.00 179.45 180.87 2i50 h GLN 124 N 0.00 -0.48 -0.08 3.15 1.08 0.88 -3.29 115.11 116.37 2i50 h GLN 124 Ca -0.01 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2i50 h GLN 124 Cb 1.21 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2i50 h GLN 124 CO 0.09 -0.17 -0.04 0.00 -0.95 0.00 0.00 178.83 177.76 2i50 h ALA 125 N -0.58 0.11 0.00 3.87 0.00 -1.13 -3.51 119.26 118.02 2i50 h ALA 125 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2i50 h ALA 125 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2i50 h ALA 125 CO 0.08 -0.12 0.00 0.45 0.00 0.00 0.00 179.25 179.66