#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 -4.04 0.52 3.14 -1.26 -5.02 118.33 111.67 2i50 n VAL 6 Ca 0.00 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.10 2i50 n VAL 6 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 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 -0.07 0.99 -0.94 0.00 0.00 -1.26 -4.62 116.66 110.78 2i50 n ARG 8 Ca -0.08 -1.64 -0.10 0.00 -0.00 0.00 0.00 57.85 56.03 2i50 n ARG 8 Cb 0.53 -0.97 0.23 0.00 -0.00 0.00 0.00 32.46 32.25 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 -0.65 2.29 0.29 2.89 8.25 -1.26 -4.65 115.22 122.38 2i50 n HIS 9 Ca 0.06 -1.24 -0.11 0.00 -0.26 0.00 0.00 57.72 56.17 2i50 n HIS 9 Cb 0.58 -0.69 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 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 1.85 0.00 -0.00 1.59 1.08 -1.96 -2.63 117.51 117.44 2i50 h ILE 10 Ca 0.33 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.72 2i50 h ILE 10 Cb 2.27 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2i50 h ILE 10 CO 0.74 0.00 0.00 0.03 -0.69 0.00 0.00 178.15 178.23 2i50 h ARG 11 N -0.83 0.00 0.00 2.37 3.08 -1.82 0.27 114.38 117.45 2i50 h ARG 11 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2i50 h ARG 11 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2i50 h ARG 11 CO 0.13 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.90 2i50 h LYS 12 N 0.00 0.00 0.00 0.04 1.57 -1.86 -3.20 116.57 113.12 2i50 h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i50 h LYS 12 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2i50 h LYS 12 CO -0.00 0.00 -0.05 0.41 -0.57 0.00 0.00 179.45 179.24 2i50 n GLY 13 N 1.05 1.92 2.78 3.86 0.00 0.55 -4.26 105.19 111.08 2i50 n GLY 13 Ca 0.04 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.11 1.31 -0.51 0.99 1.98 0.64 -1.63 118.68 120.36 2i50 s LEU 14 Ca 0.07 -0.76 0.03 0.00 -2.89 0.00 0.00 54.13 50.59 2i50 s LEU 14 Cb 0.06 -0.68 0.15 0.00 0.66 0.00 0.00 46.19 46.39 2i50 s LEU 14 CO 0.01 -0.27 0.32 -0.70 -1.89 0.00 0.00 176.35 173.82 2i50 s GLU 15 N 1.80 1.56 0.24 1.98 2.56 -0.98 -4.56 118.70 121.29 2i50 s GLU 15 Ca -0.01 -2.40 -0.05 0.00 0.00 0.00 0.00 54.97 52.51 2i50 s GLU 15 Cb -0.16 -2.51 0.34 0.00 2.00 0.00 0.00 34.13 33.79 2i50 s GLU 15 CO -0.07 -1.23 1.84 1.96 -0.56 0.00 0.00 175.26 177.20 2i50 h GLN 16 N 6.19 0.90 -0.18 4.30 4.20 -1.90 -0.56 115.11 128.06 2i50 h GLN 16 Ca 0.07 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 2i50 h GLN 16 Cb 0.88 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2i50 h GLN 16 CO 0.54 0.60 -0.33 0.78 -0.67 0.00 0.00 178.83 179.75 2i50 h GLY 17 N 0.93 0.41 1.79 3.46 0.00 -1.97 -1.91 103.07 105.79 2i50 h GLY 17 Ca 0.37 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 2i50 h GLY 17 CO -0.18 0.32 -1.01 -0.57 0.00 0.00 0.00 176.54 175.10 2i50 h ASN 18 N 0.32 0.24 0.16 0.19 -1.24 -1.71 -3.22 115.58 110.33 2i50 h ASN 18 Ca 0.04 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 56.82 2i50 h ASN 18 Cb 0.74 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.71 2i50 h ASN 18 CO 0.06 1.11 -0.09 -0.07 -1.29 0.00 0.00 177.43 177.14 2i50 h LEU 19 N 0.07 -0.22 -0.92 0.34 -0.00 -0.52 -1.49 115.31 112.57 2i50 h LEU 19 Ca -0.06 0.01 0.11 0.00 -0.00 0.00 0.00 57.88 57.94 2i50 h LEU 19 Cb 1.70 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 42.35 2i50 h LEU 19 CO 0.15 -0.15 0.55 0.11 -0.00 0.00 0.00 178.44 179.10 2i50 h LYS 20 N -0.24 0.86 0.00 1.13 1.79 -1.41 -0.14 116.57 118.56 2i50 h LYS 20 Ca -0.02 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 2i50 h LYS 20 Cb 0.19 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2i50 h LYS 20 CO 0.02 0.57 -0.33 1.57 -1.08 0.00 0.00 179.45 180.20 2i50 h LYS 21 N 0.89 0.00 0.19 3.15 5.09 -1.50 -3.06 116.57 121.32 2i50 h LYS 21 Ca 0.45 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.85 2i50 h LYS 21 Cb 0.44 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.78 2i50 h LYS 21 CO -0.26 0.22 -1.67 0.00 -2.09 0.00 0.00 179.45 175.65 2i50 h ALA 22 N 1.77 0.12 0.00 0.07 0.00 -0.38 -3.33 119.26 117.51 2i50 h ALA 22 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2i50 h ALA 22 Cb 1.18 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2i50 h ALA 22 CO 0.03 0.95 0.00 1.28 0.00 0.00 0.00 179.25 181.51 2i50 n LEU 23 N -3.66 0.31 -0.11 0.00 4.77 -0.15 -1.57 117.00 116.58 2i50 n LEU 23 Ca -0.24 0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 2i50 n LEU 23 Cb 1.05 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2i50 n LEU 23 CO 0.51 -0.34 0.84 0.58 -1.33 0.00 0.00 177.39 177.65 2i50 h VAL 24 N 0.00 0.70 -0.35 4.08 2.07 -1.64 -3.24 116.25 117.86 2i50 h VAL 24 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2i50 h VAL 24 Cb 0.35 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2i50 h VAL 24 CO 0.00 0.02 0.00 0.59 0.02 0.00 0.00 177.57 178.20 2i50 n ASN 25 N -5.21 4.01 -4.80 0.57 3.02 -0.61 -5.00 115.26 107.25 2i50 n ASN 25 Ca 0.02 -2.75 -0.35 0.00 -0.03 0.00 0.00 54.58 51.47 2i50 n ASN 25 Cb 0.20 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.81 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 -2.37 4.13 -0.79 2.41 -7.23 -1.15 -4.99 120.40 110.41 2i50 s VAL 26 Ca 0.41 1.53 -0.13 0.00 -1.81 0.00 0.00 61.98 61.98 2i50 s VAL 26 Cb 0.31 -3.74 0.21 0.00 0.56 0.00 0.00 36.38 33.71 2i50 s VAL 26 CO 0.13 -0.09 0.73 -1.83 -0.31 0.00 0.00 175.10 173.73 2i50 s GLU 27 N -2.66 3.49 0.13 4.82 1.03 -1.26 -5.04 118.70 119.21 2i50 s GLU 27 Ca 0.58 -2.42 -0.34 0.00 0.03 0.00 0.00 54.97 52.82 2i50 s GLU 27 Cb -0.16 -4.37 -0.13 0.00 -0.80 0.00 0.00 34.13 28.67 2i50 s GLU 27 CO 0.20 -1.28 1.63 0.91 -1.33 0.00 0.00 175.26 175.38 2i50 n TRP 28 N 4.03 2.32 -1.39 4.83 5.03 -1.26 -1.28 117.44 129.71 2i50 n TRP 28 Ca 0.11 0.21 -0.11 0.00 3.03 0.00 0.00 57.50 60.75 2i50 n TRP 28 Cb 0.46 -2.57 -0.05 0.00 -1.03 0.00 0.00 31.31 28.12 2i50 n TRP 28 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2i50 n ASN 29 N 3.87 -4.30 -3.86 -0.99 4.13 -1.26 -4.98 115.26 107.86 2i50 n ASN 29 Ca 0.18 0.26 -0.30 0.00 1.68 0.00 0.00 54.58 56.39 2i50 n ASN 29 Cb 0.29 -2.85 -0.15 0.00 -1.54 0.00 0.00 39.78 35.53 2i50 n ASN 29 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2i50 s ILE 30 N -2.43 1.29 -0.52 2.41 1.01 -0.40 -4.95 121.20 117.61 2i50 s ILE 30 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.00 2i50 s ILE 30 Cb 0.00 -1.78 -0.11 0.00 0.01 0.00 0.00 42.46 40.58 2i50 s ILE 30 CO 0.00 -0.37 2.39 0.00 0.00 0.00 0.00 174.94 176.96 2i50 h GLN 32 N 15.38 0.00 0.00 0.00 3.07 -1.41 -0.08 115.11 132.07 2i50 h GLN 32 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 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 1.14 0.08 0.00 0.22 0.09 0.00 0.00 178.83 180.37 2i50 h ASP 33 N 0.00 0.00 0.07 0.06 3.58 -1.75 -1.41 116.42 116.97 2i50 h ASP 33 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2i50 h ASP 33 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2i50 h ASP 33 CO 0.01 0.00 -0.04 0.00 -2.88 0.00 0.00 179.24 176.34 2i50 h LYS 35 N -0.95 0.30 -0.01 0.00 1.79 -1.19 0.66 116.57 117.17 2i50 h LYS 35 Ca -0.01 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2i50 h LYS 35 Cb 0.51 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2i50 h LYS 35 CO 0.02 0.43 -0.03 0.25 -1.08 0.00 0.00 179.45 179.04 2i50 n THR 36 N -4.26 0.00 -2.66 -0.16 -2.24 -0.56 -4.65 114.28 99.75 2i50 n THR 36 Ca -0.00 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 2i50 n THR 36 Cb 0.27 0.49 -0.02 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 -2.05 6.65 0.00 3.42 2.15 0.22 -4.94 116.67 122.12 2i50 s ASP 37 Ca 0.37 -1.92 0.00 0.00 0.43 0.00 0.00 52.55 51.42 2i50 s ASP 37 Cb 0.21 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2i50 s ASP 37 CO 0.35 -1.29 0.00 -3.20 -0.17 0.00 0.00 175.17 170.86 2i50 n ASN 38 N 8.13 0.00 0.00 -0.34 5.15 -1.26 -4.29 115.26 122.65 2i50 n ASN 38 Ca 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 2i50 n ASN 38 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 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 0.00 -2.15 1.20 5.02 -1.26 -4.86 118.16 116.11 2i50 n LYS 39 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 2i50 n LYS 39 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 2i50 n LYS 39 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2i50 s VAL 40 N 0.00 2.92 0.12 -0.18 1.01 -1.26 -4.99 120.40 118.02 2i50 s VAL 40 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2i50 s VAL 40 Cb 0.00 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 2i50 s VAL 40 CO 0.00 -0.28 1.50 0.11 0.00 0.00 0.00 175.10 176.43 2i50 h LYS 41 N -0.55 -0.35 0.00 2.72 1.57 -1.95 -3.44 116.57 114.57 2i50 h LYS 41 Ca -0.45 0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.12 2i50 h LYS 41 Cb 1.29 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.63 2i50 h LYS 41 CO 0.62 -0.24 -0.17 -3.47 -0.57 0.00 0.00 179.45 175.62 2i50 n ASP 42 N -5.15 2.13 -0.04 0.86 -0.08 -1.26 -5.05 116.55 107.96 2i50 n ASP 42 Ca -0.03 -1.81 -0.04 0.00 -1.51 0.00 0.00 54.79 51.40 2i50 n ASP 42 Cb 0.31 0.20 -0.14 0.00 2.34 0.00 0.00 41.12 43.83 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 -0.43 0.66 0.00 -0.67 4.01 -1.26 -4.77 118.16 115.70 2i50 n LYS 43 Ca -0.06 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2i50 n LYS 43 Cb 0.23 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2i50 n ALA 44 N -2.55 0.32 -1.98 7.82 0.00 -1.26 -4.89 120.51 117.97 2i50 n ALA 44 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 2i50 n ALA 44 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.48 -1.53 -2.21 0.00 1.02 -1.26 -4.86 120.64 111.32 2i50 n GLU 45 Ca 0.00 1.50 -0.32 0.00 -0.02 0.00 0.00 57.16 58.32 2i50 n GLU 45 Cb 0.00 -2.77 -0.04 0.00 -0.02 0.00 0.00 31.44 28.61 2i50 n GLU 45 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2i50 s GLU 46 N -0.71 2.90 -0.04 3.49 2.12 -1.26 -4.73 118.70 120.48 2i50 s GLU 46 Ca -0.03 -0.77 -0.24 0.00 0.36 0.00 0.00 54.97 54.29 2i50 s GLU 46 Cb 0.00 -5.20 -0.19 0.00 0.26 0.00 0.00 34.13 29.00 2i50 s GLU 46 CO 0.32 -3.12 1.07 1.49 -0.54 0.00 0.00 175.26 174.48 2i50 h GLU 47 N 10.37 -0.13 0.00 4.30 4.81 -1.96 -3.45 114.58 128.53 2i50 h GLU 47 Ca 0.17 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2i50 h GLU 47 Cb 0.98 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2i50 h GLU 47 CO 1.28 0.36 0.00 0.25 -0.73 0.00 0.00 179.01 180.17 2i50 n THR 48 N -4.89 0.00 -2.90 0.32 -2.24 -1.26 -4.99 114.28 98.31 2i50 n THR 48 Ca -0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 2i50 n THR 48 Cb 0.27 -0.37 0.04 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.36 1.04 -1.87 -0.78 1.02 -1.26 -5.09 120.64 113.34 2i50 n GLU 49 Ca 0.00 -2.68 -0.41 0.00 -0.02 0.00 0.00 57.16 54.05 2i50 n GLU 49 Cb 0.00 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 2i50 n GLU 49 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2i50 s GLU 50 N -1.28 2.93 -0.44 3.49 8.01 -1.26 -4.91 118.70 125.22 2i50 s GLU 50 Ca 0.30 1.34 0.03 0.00 0.01 0.00 0.00 54.97 56.64 2i50 s GLU 50 Cb 0.35 -4.34 0.12 0.00 -4.31 0.00 0.00 34.13 25.96 2i50 s GLU 50 CO -0.05 -2.34 0.21 -1.59 0.01 0.00 0.00 175.26 171.49 2i50 s LYS 51 N 6.54 1.53 0.87 1.61 0.00 -1.26 -4.98 119.74 124.04 2i50 s LYS 51 Ca 0.83 -2.14 -0.14 0.00 0.00 0.00 0.00 55.97 54.52 2i50 s LYS 51 Cb -0.21 -2.82 0.20 0.00 0.00 0.00 0.00 37.83 35.00 2i50 s LYS 51 CO 0.30 -1.09 1.18 -0.35 0.00 0.00 0.00 175.35 175.38 2i50 n PRO 52 N 3.60 -1.11 -3.14 1.78 -0.04 -1.26 -4.97 135.00 129.86 2i50 n PRO 52 Ca 0.05 -1.87 -0.39 0.00 -0.04 0.00 0.00 63.50 61.25 2i50 n PRO 52 Cb 0.35 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 2i50 n PRO 52 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2i50 s SER 53 N -5.32 7.13 -0.26 3.54 1.04 -1.26 -4.97 113.70 113.60 2i50 s SER 53 Ca 0.67 1.35 -0.03 0.00 0.48 0.00 0.00 55.95 58.42 2i50 s SER 53 Cb -0.02 -2.41 0.02 0.00 0.10 0.00 0.00 66.02 63.71 2i50 s SER 53 CO 0.47 0.16 -0.02 -0.69 0.98 0.00 0.00 173.24 174.14 2i50 s VAL 54 N -0.64 3.21 -0.18 5.02 1.01 -1.26 -0.07 120.40 127.49 2i50 s VAL 54 Ca 0.33 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2i50 s VAL 54 Cb -0.20 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2i50 s VAL 54 CO 0.21 0.15 -0.01 0.26 0.00 0.00 0.00 175.10 175.70 2i50 s TRP 55 N 1.37 3.05 -0.22 5.22 0.52 0.13 -0.06 118.94 128.96 2i50 s TRP 55 Ca 0.01 -0.35 -0.08 0.00 0.02 0.00 0.00 56.10 55.70 2i50 s TRP 55 Cb -0.17 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 2i50 s TRP 55 CO -0.02 -0.12 0.07 -1.17 0.02 0.00 0.00 176.95 175.73 2i50 s LEU 56 N 0.66 3.64 -0.24 2.99 2.96 0.72 -0.70 118.68 128.71 2i50 s LEU 56 Ca -0.01 -0.07 -0.28 0.00 -0.22 0.00 0.00 54.13 53.55 2i50 s LEU 56 Cb -0.14 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2i50 s LEU 56 CO 0.02 0.06 1.95 0.00 -1.32 0.00 0.00 176.35 177.06 2i50 n LEU 58 N 10.40 0.00 -0.06 0.00 4.77 0.16 0.04 117.00 132.31 2i50 n LEU 58 Ca 0.25 0.16 -0.19 0.00 -0.03 0.00 0.00 56.01 56.21 2i50 n LEU 58 Cb 0.45 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 2i50 n LEU 58 CO 0.67 -0.07 -1.03 1.17 -1.33 0.00 0.00 177.39 176.80 2i50 n LYS 59 N -1.16 0.70 0.00 3.23 3.00 -0.64 -2.33 118.16 120.96 2i50 n LYS 59 Ca 0.11 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 2i50 n LYS 59 Cb 0.11 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.51 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 0.17 0.60 3.73 0.00 0.00 0.11 -4.72 105.19 105.08 2i50 n GLY 61 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 3.08 -0.24 1.61 5.04 -1.25 -4.78 115.29 116.76 2i50 s HIS 62 Ca 0.00 0.93 -0.02 0.00 -1.54 0.00 0.00 55.06 54.43 2i50 s HIS 62 Cb 0.00 -3.81 0.01 0.00 0.04 0.00 0.00 32.58 28.83 2i50 s HIS 62 CO 0.00 -2.75 -0.06 -1.14 -2.34 0.00 0.00 174.74 168.45 2i50 s GLN 63 N 0.25 3.03 0.13 2.88 0.74 -1.26 0.11 119.66 125.53 2i50 s GLN 63 Ca 0.63 -0.85 0.04 0.00 0.05 0.00 0.00 55.36 55.23 2i50 s GLN 63 Cb -0.41 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 2i50 s GLN 63 CO 0.38 -0.32 -0.10 0.20 -0.55 0.00 0.00 175.29 174.90 2i50 s GLY 64 N 1.38 0.97 -0.07 2.59 0.00 0.12 -1.07 107.32 111.25 2i50 s GLY 64 Ca 0.03 -1.38 -0.15 0.00 0.00 0.00 0.00 44.72 43.21 2i50 s GLY 64 CO -0.05 -1.47 0.39 0.00 0.00 0.00 0.00 173.10 171.97 2i50 n GLY 66 N 2.53 1.45 0.35 0.00 0.00 0.90 -1.61 105.19 108.80 2i50 n GLY 66 Ca -0.12 -1.74 0.18 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.07 1.61 0.11 -1.94 -1.34 114.38 112.75 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 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 2i50 n ASN 68 N -3.60 0.10 -4.73 0.08 4.13 -1.26 -4.79 115.26 105.19 2i50 n ASN 68 Ca 0.02 -2.00 -0.27 0.00 1.68 0.00 0.00 54.58 54.02 2i50 n ASN 68 Cb 0.40 -0.03 -0.08 0.00 -1.54 0.00 0.00 39.78 38.53 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 -0.94 4.28 0.05 6.41 1.04 -0.51 -4.21 113.70 119.83 2i50 s SER 69 Ca 0.01 -1.24 -0.05 0.00 0.48 0.00 0.00 55.95 55.15 2i50 s SER 69 Cb 0.00 -0.24 -0.29 0.00 0.10 0.00 0.00 66.02 65.59 2i50 s SER 69 CO 0.00 -0.62 1.05 -0.61 0.98 0.00 0.00 173.24 174.04 2i50 h GLN 70 N 1.43 0.30 0.08 4.02 4.15 -1.86 -3.38 115.11 119.85 2i50 h GLN 70 Ca -0.43 -0.51 -0.32 0.00 0.77 0.00 0.00 58.65 58.16 2i50 h GLN 70 Cb 1.26 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 29.12 2i50 h GLN 70 CO 0.72 1.22 -1.74 0.93 -1.93 0.00 0.00 178.83 178.03 2i50 h GLU 71 N 0.08 0.17 -5.91 1.69 4.39 -1.93 -3.49 114.58 109.59 2i50 h GLU 71 Ca -0.18 -0.29 -0.36 0.00 0.34 0.00 0.00 59.36 58.86 2i50 h GLU 71 Cb 2.01 0.11 0.12 0.00 -0.10 0.00 0.00 28.75 30.89 2i50 h GLU 71 CO 0.20 0.95 -0.87 1.04 -1.16 0.00 0.00 179.01 179.17 2i50 n GLN 72 N -3.33 -2.98 0.11 2.33 6.02 -1.26 -4.77 117.38 113.52 2i50 n GLN 72 Ca -0.21 0.66 0.06 0.00 -0.01 0.00 0.00 57.00 57.50 2i50 n GLN 72 Cb 1.05 -5.08 0.53 0.00 1.02 0.00 0.00 30.24 27.76 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 -1.63 0.27 -0.36 1.08 3.86 -1.59 -0.02 115.15 116.75 2i50 h HIS 73 Ca -0.63 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 58.50 2i50 h HIS 73 Cb 1.34 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.71 2i50 h HIS 73 CO 0.37 0.17 -0.16 0.00 0.86 0.00 0.00 177.93 179.16 2i50 h ALA 74 N 1.86 1.04 -0.11 2.45 0.00 -1.58 0.20 119.26 123.12 2i50 h ALA 74 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2i50 h ALA 74 Cb 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2i50 h ALA 74 CO -0.02 0.58 -0.13 -0.07 0.00 0.00 0.00 179.25 179.61 2i50 h LEU 75 N 0.59 0.30 -1.56 0.00 -0.00 -1.41 -1.42 115.31 111.81 2i50 h LEU 75 Ca 0.10 -0.50 0.10 0.00 -0.00 0.00 0.00 57.88 57.58 2i50 h LEU 75 Cb 0.62 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.15 2i50 h LEU 75 CO 0.04 0.74 0.44 0.11 -0.00 0.00 0.00 178.44 179.77 2i50 h LYS 76 N -0.14 0.47 -0.11 1.13 1.57 -0.82 0.67 116.57 119.34 2i50 h LYS 76 Ca 0.01 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2i50 h LYS 76 Cb 0.66 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2i50 h LYS 76 CO 0.03 0.31 -0.50 1.25 -0.57 0.00 0.00 179.45 179.98 2i50 h HIS 77 N 0.48 0.36 -0.05 -1.35 2.76 -0.17 0.25 115.15 117.44 2i50 h HIS 77 Ca 0.31 -0.12 -0.20 0.00 -2.20 0.00 0.00 60.37 58.17 2i50 h HIS 77 Cb 0.56 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2i50 h HIS 77 CO -0.00 0.74 -0.80 -0.92 -1.30 0.00 0.00 177.93 175.65 2i50 h TYR 78 N 0.24 0.53 -0.00 5.26 3.20 -0.18 -3.04 116.97 122.99 2i50 h TYR 78 Ca 0.01 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.62 2i50 h TYR 78 Cb 0.96 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2i50 h TYR 78 CO 0.02 1.03 -0.00 1.28 -1.64 0.00 0.00 178.16 178.85 2i50 n LEU 79 N -3.80 0.02 -4.70 2.82 4.77 0.12 -4.74 117.00 111.51 2i50 n LEU 79 Ca -0.05 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 2i50 n LEU 79 Cb 0.75 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2i50 n LEU 79 CO 0.49 0.00 1.18 -0.89 -1.33 0.00 0.00 177.39 176.84 2i50 s THR 80 N -2.30 3.37 -0.05 -5.08 2.01 0.81 -4.95 115.64 109.45 2i50 s THR 80 Ca 0.37 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 2i50 s THR 80 Cb 0.21 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2i50 s THR 80 CO 0.42 0.01 1.32 -2.16 -0.69 0.00 0.00 174.62 173.53 2i50 s PRO 81 N 2.16 4.29 0.23 4.92 0.04 -1.26 -4.97 135.00 140.40 2i50 s PRO 81 Ca 0.67 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 2i50 s PRO 81 Cb -0.36 -3.62 0.01 0.00 0.04 0.00 0.00 34.50 30.58 2i50 s PRO 81 CO 0.29 -0.56 0.53 -0.98 0.04 0.00 0.00 177.00 176.32 2i50 s ARG 82 N 2.59 1.50 -0.10 4.56 1.70 -1.26 -5.06 118.95 122.88 2i50 s ARG 82 Ca 0.60 -1.03 -0.12 0.00 -0.47 0.00 0.00 55.73 54.71 2i50 s ARG 82 Cb -0.28 0.51 -0.28 0.00 -0.57 0.00 0.00 34.95 34.34 2i50 s ARG 82 CO 0.23 -0.64 0.52 1.03 -1.08 0.00 0.00 175.30 175.37 2i50 h SER 83 N 2.20 0.45 -4.13 -2.89 0.87 -2.04 -3.45 113.55 104.55 2i50 h SER 83 Ca -0.26 -0.89 -0.47 0.00 -1.23 0.00 0.00 61.79 58.94 2i50 h SER 83 Cb 1.25 -0.14 0.02 0.00 -0.44 0.00 0.00 62.40 63.09 2i50 h SER 83 CO 0.35 1.73 0.37 -1.61 -0.53 0.00 0.00 176.83 177.14 2i50 s GLU 84 N -2.52 3.80 -0.08 2.24 2.02 -1.26 -5.01 118.70 117.89 2i50 s GLU 84 Ca -0.20 1.18 -0.25 0.00 0.02 0.00 0.00 54.97 55.72 2i50 s GLU 84 Cb 0.05 -2.11 -0.21 0.00 0.10 0.00 0.00 34.13 31.97 2i50 s GLU 84 CO 0.78 -0.41 0.95 -1.00 0.02 0.00 0.00 175.26 175.60 2i50 h PRO 85 N 1.21 -0.04 -5.43 0.39 0.13 -1.88 -3.48 132.00 122.89 2i50 h PRO 85 Ca -0.48 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 2i50 h PRO 85 Cb 1.20 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.38 2i50 h PRO 85 CO 0.60 0.62 -0.65 0.72 -0.23 0.00 0.00 178.00 179.05 2i50 n HIS 86 N -4.77 -2.25 -0.37 1.56 8.25 -1.26 -4.87 115.22 111.50 2i50 n HIS 86 Ca -0.09 0.73 0.10 0.00 -0.26 0.00 0.00 57.72 58.20 2i50 n HIS 86 Cb 0.33 -4.24 0.33 0.00 1.12 0.00 0.00 29.99 27.53 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 -1.44 2.40 0.01 0.00 1.43 -1.26 -1.08 118.68 118.74 2i50 s LEU 88 Ca 0.48 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2i50 s LEU 88 Cb 0.28 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 2i50 s LEU 88 CO 0.27 0.01 -0.09 0.68 0.23 0.00 0.00 176.35 177.45 2i50 s VAL 89 N 1.26 0.67 0.14 -1.59 -7.23 -0.73 0.36 120.40 113.29 2i50 s VAL 89 Ca 0.03 -0.63 0.06 0.00 -1.81 0.00 0.00 61.98 59.63 2i50 s VAL 89 Cb -0.14 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 2i50 s VAL 89 CO -0.08 -0.00 0.06 -1.48 -0.31 0.00 0.00 175.10 173.28 2i50 s LEU 90 N -0.70 3.57 -0.11 1.32 0.05 0.69 0.04 118.68 123.54 2i50 s LEU 90 Ca -0.00 -0.21 -0.14 0.00 0.05 0.00 0.00 54.13 53.82 2i50 s LEU 90 Cb -0.05 -2.23 -0.05 0.00 -2.05 0.00 0.00 46.19 41.81 2i50 s LEU 90 CO 0.00 0.11 0.35 -0.94 -0.55 0.00 0.00 176.35 175.32 2i50 s SER 91 N -2.80 6.58 -0.07 1.48 1.04 0.12 -0.20 113.70 119.85 2i50 s SER 91 Ca 0.28 0.69 0.10 0.00 0.48 0.00 0.00 55.95 57.50 2i50 s SER 91 Cb -0.10 -2.21 0.42 0.00 0.10 0.00 0.00 66.02 64.22 2i50 s SER 91 CO 0.21 0.17 1.24 0.18 0.98 0.00 0.00 173.24 176.01 2i50 n LEU 92 N 2.99 3.01 -0.02 2.42 4.77 0.92 -1.26 117.00 129.84 2i50 n LEU 92 Ca -0.12 -1.52 -0.06 0.00 -0.03 0.00 0.00 56.01 54.28 2i50 n LEU 92 Cb 0.52 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2i50 n LEU 92 CO 0.39 0.50 -0.50 0.47 -1.33 0.00 0.00 177.39 176.92 2i50 n ASP 93 N 0.51 1.01 -0.02 -1.43 9.92 -1.26 -4.77 116.55 120.51 2i50 n ASP 93 Ca 0.15 0.16 0.07 0.00 -0.53 0.00 0.00 54.79 54.63 2i50 n ASP 93 Cb 0.59 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.63 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 -3.61 0.71 -3.44 -2.24 4.13 -1.26 -4.99 115.26 104.57 2i50 n ASN 94 Ca -0.11 -0.86 -0.18 0.00 1.68 0.00 0.00 54.58 55.12 2i50 n ASN 94 Cb 0.39 0.97 0.08 0.00 -1.54 0.00 0.00 39.78 39.67 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 -1.26 -2.21 -4.25 3.10 7.02 -0.39 -5.01 117.44 114.45 2i50 n TRP 95 Ca 0.03 0.89 -0.28 0.00 -1.02 0.00 0.00 57.50 57.12 2i50 n TRP 95 Cb 0.22 -4.70 -0.05 0.00 -2.42 0.00 0.00 31.31 24.36 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 -4.10 4.39 0.01 -0.99 0.01 -1.24 -4.84 113.70 106.94 2i50 s SER 96 Ca 0.13 -1.31 0.08 0.00 1.31 0.00 0.00 55.95 56.15 2i50 s SER 96 Cb -0.02 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 2i50 s SER 96 CO 0.75 -0.82 -0.24 -0.69 0.41 0.00 0.00 173.24 172.65 2i50 s VAL 97 N -2.74 2.30 -0.07 3.43 1.01 -1.25 0.16 120.40 123.24 2i50 s VAL 97 Ca 0.28 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 61.12 2i50 s VAL 97 Cb 0.01 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 2i50 s VAL 97 CO 0.16 0.46 -0.21 0.86 0.00 0.00 0.00 175.10 176.37 2i50 s TRP 98 N -0.75 2.23 -0.30 5.22 -0.11 0.11 -0.13 118.94 125.21 2i50 s TRP 98 Ca 0.12 -0.79 -0.02 0.00 1.22 0.00 0.00 56.10 56.62 2i50 s TRP 98 Cb -0.10 -1.50 0.04 0.00 -1.50 0.00 0.00 33.47 30.42 2i50 s TRP 98 CO 0.01 -0.30 0.00 0.00 -4.62 0.00 0.00 176.95 172.04 2i50 h TYR 100 N 8.03 0.00 0.00 0.00 0.05 -1.40 0.59 116.97 124.24 2i50 h TYR 100 Ca -0.24 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.47 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 0.19 -0.88 -0.24 -1.05 0.00 0.00 178.16 176.79 2i50 h VAL 101 N 0.00 0.31 0.06 -2.88 3.04 -1.94 -3.23 116.25 111.61 2i50 h VAL 101 Ca -0.00 -1.53 -0.29 0.00 -1.01 0.00 0.00 66.70 63.86 2i50 h VAL 101 Cb 0.37 1.91 -0.03 0.00 -2.01 0.00 0.00 31.29 31.54 2i50 h VAL 101 CO 0.03 0.18 -1.56 0.00 -1.01 0.00 0.00 177.57 175.21 2i50 n ASP 103 N -3.31 -4.76 -3.12 0.00 2.03 0.20 -5.03 116.55 102.56 2i50 n ASP 103 Ca -0.16 -0.64 -0.10 0.00 0.52 0.00 0.00 54.79 54.42 2i50 n ASP 103 Cb 1.03 -4.94 0.00 0.00 -0.72 0.00 0.00 41.12 36.50 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 -3.72 0.15 -0.15 1.67 4.22 -1.21 -5.02 114.94 110.87 2i50 s ASN 104 Ca 0.27 -1.15 -0.11 0.00 -2.14 0.00 0.00 52.86 49.73 2i50 s ASN 104 Cb -0.04 0.80 -0.05 0.00 1.28 0.00 0.00 41.25 43.24 2i50 s ASN 104 CO 0.70 -1.57 0.21 -0.70 -2.04 0.00 0.00 177.10 173.70 2i50 s GLU 105 N -2.67 4.04 0.02 3.55 2.12 -1.26 -1.70 118.70 122.80 2i50 s GLU 105 Ca 0.18 -0.04 -0.13 0.00 0.36 0.00 0.00 54.97 55.34 2i50 s GLU 105 Cb -0.04 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.93 2i50 s GLU 105 CO 0.13 0.41 0.39 0.08 -0.54 0.00 0.00 175.26 175.72 2i50 s VAL 106 N 0.01 5.07 -0.16 3.70 1.01 0.81 -4.95 120.40 125.89 2i50 s VAL 106 Ca 0.14 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 2i50 s VAL 106 Cb -0.12 -3.67 -0.24 0.00 0.00 0.00 0.00 36.38 32.34 2i50 s VAL 106 CO 0.02 0.49 0.62 1.56 0.00 0.00 0.00 175.10 177.79 2i50 h GLN 107 N 4.42 0.00 -3.62 2.72 7.50 -1.98 -3.32 115.11 120.84 2i50 h GLN 107 Ca -0.51 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.63 2i50 h GLN 107 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.74 2i50 h GLN 107 CO 0.63 1.00 -0.44 2.48 -1.50 0.00 0.00 178.83 181.00 2i50 n TYR 108 N -4.55 -2.26 0.00 2.96 0.18 -1.26 -5.00 117.16 107.23 2i50 n TYR 108 Ca -0.16 1.28 0.00 0.00 1.88 0.00 0.00 57.90 60.90 2i50 n TYR 108 Cb 0.54 -1.94 0.00 0.00 -0.38 0.00 0.00 39.34 37.56 2i50 n TYR 108 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i50 s SER 110 N 1.96 4.44 -1.50 0.00 0.01 -1.26 -2.57 113.70 114.78 2i50 s SER 110 Ca 0.00 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2i50 s SER 110 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2i50 s SER 110 CO 0.00 -2.93 0.00 -1.20 0.41 0.00 0.00 173.24 169.52 2i50 n SER 111 N 15.94 -4.31 -4.65 2.44 7.64 -1.26 -4.90 113.62 124.52 2i50 n SER 111 Ca 0.36 0.27 -0.40 0.00 1.01 0.00 0.00 58.87 60.12 2i50 n SER 111 Cb 0.54 -3.80 -0.07 0.00 -1.01 0.00 0.00 64.21 59.87 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 -2.19 6.57 0.55 6.43 3.84 -1.06 -4.92 114.94 124.16 2i50 s ASN 112 Ca 0.00 0.69 0.25 0.00 0.21 0.00 0.00 52.86 54.01 2i50 s ASN 112 Cb 0.00 -2.31 1.46 0.00 -0.55 0.00 0.00 41.25 39.85 2i50 s ASN 112 CO 0.00 -0.23 2.04 -0.61 -2.79 0.00 0.00 177.10 175.51 2i50 h GLN 113 N 7.58 0.00 -0.31 0.43 4.15 -1.90 -0.41 115.11 124.64 2i50 h GLN 113 Ca -0.32 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.05 2i50 h GLN 113 Cb 1.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2i50 h GLN 113 CO 0.75 0.00 0.01 1.25 -1.93 0.00 0.00 178.83 178.90 2i50 h LEU 114 N 0.00 0.54 -0.47 -2.39 5.85 -1.94 0.39 115.31 117.28 2i50 h LEU 114 Ca 0.16 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 2i50 h LEU 114 Cb 0.72 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2i50 h LEU 114 CO -0.00 0.71 -0.14 1.23 -0.34 0.00 0.00 178.44 179.90 2i50 h GLY 115 N 0.35 1.01 0.84 3.75 0.00 -1.39 0.13 103.07 107.76 2i50 h GLY 115 Ca 0.09 -0.85 0.04 0.00 0.00 0.00 0.00 47.33 46.61 2i50 h GLY 115 CO 0.01 0.77 0.53 1.46 0.00 0.00 0.00 176.54 179.32 2i50 h GLN 116 N 0.78 0.99 0.03 4.80 4.20 -1.25 0.11 115.11 124.77 2i50 h GLN 116 Ca 0.12 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 2i50 h GLN 116 Cb 0.70 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 28.27 2i50 h GLN 116 CO 0.05 0.66 -0.64 0.28 -0.67 0.00 0.00 178.83 178.50 2i50 h VAL 117 N 1.02 1.45 -0.95 -0.54 2.07 -0.57 -0.62 116.25 118.11 2i50 h VAL 117 Ca 0.34 -2.17 0.14 0.00 0.82 0.00 0.00 66.70 65.83 2i50 h VAL 117 Cb 0.05 2.73 -0.08 0.00 -1.52 0.00 0.00 31.29 32.46 2i50 h VAL 117 CO -0.13 0.63 0.60 0.58 0.02 0.00 0.00 177.57 179.27 2i50 h VAL 118 N -0.16 0.84 -0.34 2.57 2.07 -0.47 0.48 116.25 121.23 2i50 h VAL 118 Ca -0.09 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2i50 h VAL 118 Cb 1.38 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2i50 h VAL 118 CO 0.13 0.15 0.00 -0.78 0.02 0.00 0.00 177.57 177.09 2i50 h ASP 119 N 0.80 0.58 0.06 0.57 3.58 -0.64 0.18 116.42 121.55 2i50 h ASP 119 Ca 0.49 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2i50 h ASP 119 Cb 0.68 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2i50 h ASP 119 CO -0.25 0.75 -0.03 0.22 -2.88 0.00 0.00 179.24 177.04 2i50 h TYR 120 N 0.41 -0.07 -0.01 0.28 3.20 0.46 -0.71 116.97 120.53 2i50 h TYR 120 Ca 0.10 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 2i50 h TYR 120 Cb 0.44 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2i50 h TYR 120 CO 0.04 0.06 -0.44 0.28 -1.64 0.00 0.00 178.16 176.46 2i50 h VAL 121 N -0.19 1.32 -0.28 1.81 2.07 0.01 0.95 116.25 121.94 2i50 h VAL 121 Ca -0.01 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 65.85 2i50 h VAL 121 Cb 0.17 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2i50 h VAL 121 CO 0.01 0.44 -0.37 -0.09 0.02 0.00 0.00 177.57 177.58 2i50 h ARG 122 N 0.03 0.64 0.00 1.57 2.43 -0.40 0.99 114.38 119.63 2i50 h ARG 122 Ca -0.00 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2i50 h ARG 122 Cb 0.79 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2i50 h ARG 122 CO 0.06 0.91 0.00 -0.22 -1.51 0.00 0.00 179.97 179.21 2i50 h LYS 123 N 0.53 0.00 0.06 0.20 3.64 0.34 0.91 116.57 122.25 2i50 h LYS 123 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2i50 h LYS 123 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2i50 h LYS 123 CO 0.08 0.00 -0.03 1.96 -2.27 0.00 0.00 179.45 179.19 2i50 h GLN 124 N 0.00 -0.08 -0.25 1.90 1.08 0.36 -3.35 115.11 114.76 2i50 h GLN 124 Ca 0.00 0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 2i50 h GLN 124 Cb 0.70 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2i50 h GLN 124 CO 0.00 0.49 -0.28 0.00 -0.95 0.00 0.00 178.83 178.10 2i50 h ALA 125 N -0.19 1.06 0.00 3.87 0.00 -0.78 -3.51 119.26 119.71 2i50 h ALA 125 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2i50 h ALA 125 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2i50 h ALA 125 CO 0.01 0.58 0.00 0.45 0.00 0.00 0.00 179.25 180.29