#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 -0.19 0.52 0.11 -1.26 -5.09 120.40 114.49 2i50 s VAL 6 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 2i50 s VAL 6 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2i50 s VAL 6 CO 0.00 0.00 0.16 0.00 -3.33 0.00 0.00 175.10 171.93 2i50 n ARG 8 N 3.41 1.28 -1.03 0.00 0.00 -1.26 -4.66 116.66 114.39 2i50 n ARG 8 Ca -0.15 -1.62 -0.20 0.00 -0.00 0.00 0.00 57.85 55.88 2i50 n ARG 8 Cb 0.52 -0.99 0.15 0.00 -0.00 0.00 0.00 32.46 32.14 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 2.58 -0.03 2.89 8.25 -1.26 -4.59 115.22 122.41 2i50 n HIS 9 Ca 0.06 -1.62 -0.12 0.00 -0.26 0.00 0.00 57.72 55.78 2i50 n HIS 9 Cb 0.52 -0.83 -0.07 0.00 1.12 0.00 0.00 29.99 30.73 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 0.87 1.23 0.00 1.59 1.08 -1.94 0.11 117.51 120.45 2i50 h ILE 10 Ca 0.53 -0.72 -0.12 0.00 -0.39 0.00 0.00 64.86 64.16 2i50 h ILE 10 Cb 2.57 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 37.80 2i50 h ILE 10 CO 0.93 0.21 -0.58 0.03 -0.69 0.00 0.00 178.15 178.04 2i50 h ARG 11 N -0.06 0.00 0.00 2.37 3.08 -1.81 0.16 114.38 118.12 2i50 h ARG 11 Ca 0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2i50 h ARG 11 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2i50 h ARG 11 CO 0.00 0.58 -0.57 0.87 -1.07 0.00 0.00 179.97 179.78 2i50 h LYS 12 N 0.00 0.00 -0.00 0.04 1.57 -1.78 -3.27 116.57 113.12 2i50 h LYS 12 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2i50 h LYS 12 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2i50 h LYS 12 CO 0.08 0.57 -0.25 0.41 -0.57 0.00 0.00 179.45 179.69 2i50 n GLY 13 N 0.38 -0.01 2.85 3.86 0.00 -0.01 -4.20 105.19 108.06 2i50 n GLY 13 Ca -0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.83 1.03 -0.40 0.99 0.20 0.55 -1.02 118.68 118.20 2i50 s LEU 14 Ca 0.05 -0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.75 2i50 s LEU 14 Cb 0.06 -0.52 0.12 0.00 -0.43 0.00 0.00 46.19 45.43 2i50 s LEU 14 CO 0.25 -0.11 0.17 -0.70 -0.29 0.00 0.00 176.35 175.67 2i50 s GLU 15 N 1.43 1.24 0.30 1.98 -6.30 -0.92 -4.28 118.70 112.15 2i50 s GLU 15 Ca -0.03 -1.80 0.03 0.00 -2.50 0.00 0.00 54.97 50.67 2i50 s GLU 15 Cb -0.13 -2.49 0.60 0.00 0.00 0.00 0.00 34.13 32.12 2i50 s GLU 15 CO -0.03 -1.07 1.86 1.96 0.02 0.00 0.00 175.26 177.99 2i50 h GLN 16 N 7.21 0.91 -0.05 4.30 4.20 -1.88 -2.65 115.11 127.16 2i50 h GLN 16 Ca -0.06 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2i50 h GLN 16 Cb 0.96 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2i50 h GLN 16 CO 0.51 0.60 -0.03 0.78 -0.67 0.00 0.00 178.83 180.02 2i50 h GLY 17 N 0.94 0.01 2.00 3.46 0.00 -1.95 -2.45 103.07 105.08 2i50 h GLY 17 Ca 0.47 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.73 2i50 h GLY 17 CO -0.23 -0.04 -0.51 3.45 0.00 0.00 0.00 176.54 179.21 2i50 h ASN 18 N -0.04 0.00 -0.50 0.19 7.08 -1.87 -3.27 115.58 117.17 2i50 h ASN 18 Ca 0.03 0.00 0.09 0.00 -3.08 0.00 0.00 56.30 53.34 2i50 h ASN 18 Cb 0.09 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.26 2i50 h ASN 18 CO -0.07 0.51 0.09 -0.07 -2.08 0.00 0.00 177.43 175.81 2i50 h LEU 19 N 0.00 -0.01 -0.73 6.14 -0.00 -1.08 0.91 115.31 120.54 2i50 h LEU 19 Ca -0.01 0.09 0.09 0.00 -0.00 0.00 0.00 57.88 58.06 2i50 h LEU 19 Cb 1.33 0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 42.05 2i50 h LEU 19 CO 0.07 0.02 0.37 0.11 -0.00 0.00 0.00 178.44 179.01 2i50 h LYS 20 N 0.23 0.61 0.00 1.13 1.79 -1.53 0.20 116.57 119.00 2i50 h LYS 20 Ca 0.25 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.59 2i50 h LYS 20 Cb 0.34 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2i50 h LYS 20 CO -0.33 0.41 -0.44 0.87 -1.08 0.00 0.00 179.45 178.87 2i50 h LYS 21 N 0.63 0.00 0.00 3.15 1.57 -1.31 -2.62 116.57 117.98 2i50 h LYS 21 Ca 0.36 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.92 2i50 h LYS 21 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2i50 h LYS 21 CO -0.26 0.44 -1.16 0.00 -0.57 0.00 0.00 179.45 177.89 2i50 h ALA 22 N 1.56 0.51 -0.01 3.86 0.00 0.08 -3.27 119.26 121.99 2i50 h ALA 22 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2i50 h ALA 22 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2i50 h ALA 22 CO 0.06 1.27 -0.33 1.28 0.00 0.00 0.00 179.25 181.53 2i50 n LEU 23 N -3.24 1.51 0.02 0.00 4.77 -0.03 -4.15 117.00 115.87 2i50 n LEU 23 Ca -0.05 -0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 55.33 2i50 n LEU 23 Cb 0.95 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.90 2i50 n LEU 23 CO 0.46 0.28 0.51 0.58 -1.33 0.00 0.00 177.39 177.88 2i50 h VAL 24 N 1.85 0.00 -0.20 4.08 2.07 -1.52 -3.14 116.25 119.38 2i50 h VAL 24 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2i50 h VAL 24 Cb 0.62 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2i50 h VAL 24 CO 0.00 0.00 -0.09 0.59 0.02 0.00 0.00 177.57 178.09 2i50 n ASN 25 N -4.66 2.81 -4.80 0.57 3.02 -1.26 -5.02 115.26 105.93 2i50 n ASN 25 Ca -0.05 -3.39 -0.32 0.00 -0.03 0.00 0.00 54.58 50.79 2i50 n ASN 25 Cb 0.28 -0.55 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 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 -3.03 3.77 -0.03 2.41 0.11 -1.19 -5.03 120.40 117.41 2i50 s VAL 26 Ca 0.40 0.73 -0.14 0.00 -2.93 0.00 0.00 61.98 60.05 2i50 s VAL 26 Cb 0.35 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.84 2i50 s VAL 26 CO 0.03 -0.60 0.36 -1.83 -3.33 0.00 0.00 175.10 169.73 2i50 s GLU 27 N -4.44 3.86 -0.13 1.54 1.03 -1.26 -5.06 118.70 114.24 2i50 s GLU 27 Ca 0.62 0.31 -0.04 0.00 0.03 0.00 0.00 54.97 55.89 2i50 s GLU 27 Cb -0.16 -3.23 -0.03 0.00 -0.80 0.00 0.00 34.13 29.91 2i50 s GLU 27 CO 0.45 0.68 0.02 -1.58 -1.33 0.00 0.00 175.26 173.49 2i50 s TRP 28 N -0.97 3.17 -1.57 4.83 0.52 -1.26 -4.28 118.94 119.38 2i50 s TRP 28 Ca 0.22 0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.39 2i50 s TRP 28 Cb -0.16 -1.92 0.00 0.00 -1.15 0.00 0.00 33.47 30.24 2i50 s TRP 28 CO 0.11 0.26 0.00 0.09 0.02 0.00 0.00 176.95 177.44 2i50 n ASN 29 N 2.89 -5.01 -3.85 2.95 4.13 -1.26 -4.96 115.26 110.15 2i50 n ASN 29 Ca -0.18 0.14 -0.30 0.00 1.68 0.00 0.00 54.58 55.92 2i50 n ASN 29 Cb 0.53 -4.06 -0.15 0.00 -1.54 0.00 0.00 39.78 34.55 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 -2.77 1.32 -0.40 2.41 1.01 -1.26 -4.98 121.20 116.53 2i50 s ILE 30 Ca 0.00 -1.46 -0.30 0.00 0.00 0.00 0.00 60.65 58.89 2i50 s ILE 30 Cb 0.00 -1.85 -0.09 0.00 0.01 0.00 0.00 42.46 40.53 2i50 s ILE 30 CO 0.00 -0.45 2.31 0.00 0.00 0.00 0.00 174.94 176.80 2i50 h GLN 32 N 15.20 0.37 0.00 0.00 4.20 -1.48 0.17 115.11 133.56 2i50 h GLN 32 Ca -0.29 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2i50 h GLN 32 Cb 1.28 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2i50 h GLN 32 CO 1.07 0.24 0.00 -3.47 -0.67 0.00 0.00 178.83 176.00 2i50 n ASP 33 N -4.47 0.73 0.02 1.46 2.03 -1.19 -1.03 116.55 114.11 2i50 n ASP 33 Ca 0.09 0.65 -0.19 0.00 0.52 0.00 0.00 54.79 55.86 2i50 n ASP 33 Cb 0.36 -0.82 -0.14 0.00 -0.72 0.00 0.00 41.12 39.80 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 -0.45 0.00 -0.05 0.00 2.10 -1.21 -2.17 116.57 114.79 2i50 h LYS 35 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2i50 h LYS 35 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2i50 h LYS 35 CO 0.12 0.35 0.00 0.25 -2.00 0.00 0.00 179.45 178.17 2i50 n THR 36 N -3.22 0.05 -3.20 0.07 -2.24 -0.20 -4.46 114.28 101.08 2i50 n THR 36 Ca 0.02 -0.27 -0.45 0.00 -2.27 0.00 0.00 64.05 61.08 2i50 n THR 36 Cb 0.64 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2i50 n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2i50 n ASP 37 N 0.21 5.49 -1.69 3.42 -0.08 -0.82 -4.65 116.55 118.44 2i50 n ASP 37 Ca 0.18 -3.05 -0.01 0.00 -1.51 0.00 0.00 54.79 50.41 2i50 n ASP 37 Cb 0.35 -1.42 0.31 0.00 2.34 0.00 0.00 41.12 42.69 2i50 n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2i50 n ASN 38 N 3.37 4.61 -0.02 1.67 3.02 -1.26 -4.40 115.26 122.25 2i50 n ASN 38 Ca 0.28 -3.19 -0.17 0.00 -0.03 0.00 0.00 54.58 51.47 2i50 n ASN 38 Cb 0.40 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.80 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2i50 h LYS 39 N 2.58 0.64 -7.18 3.52 1.57 -1.96 -3.45 116.57 112.29 2i50 h LYS 39 Ca 0.16 -0.54 -0.47 0.00 -1.87 0.00 0.00 60.65 57.94 2i50 h LYS 39 Cb 2.05 0.12 0.09 0.00 0.08 0.00 0.00 32.23 34.56 2i50 h LYS 39 CO 0.57 1.15 0.14 0.14 -0.57 0.00 0.00 179.45 180.88 2i50 s VAL 40 N -3.67 2.04 -0.04 0.50 -7.23 -1.26 -5.04 120.40 105.69 2i50 s VAL 40 Ca -0.12 -0.57 -0.19 0.00 -1.81 0.00 0.00 61.98 59.30 2i50 s VAL 40 Cb 0.07 -2.47 -0.13 0.00 0.56 0.00 0.00 36.38 34.41 2i50 s VAL 40 CO 0.86 0.00 0.79 0.11 -0.31 0.00 0.00 175.10 176.55 2i50 h LYS 41 N -0.68 -0.32 -3.81 4.82 1.57 -1.93 -3.47 116.57 112.75 2i50 h LYS 41 Ca -0.35 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.36 2i50 h LYS 41 Cb 1.26 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.51 2i50 h LYS 41 CO 0.37 0.01 -0.32 -0.51 -0.57 0.00 0.00 179.45 178.43 2i50 s ASP 42 N -5.27 0.05 -0.00 0.86 1.11 -1.26 -5.02 116.67 107.14 2i50 s ASP 42 Ca -0.11 -0.73 0.13 0.00 0.18 0.00 0.00 52.55 52.02 2i50 s ASP 42 Cb 0.01 0.40 -0.20 0.00 1.07 0.00 0.00 42.92 44.19 2i50 s ASP 42 CO 0.39 -0.82 0.75 0.11 1.18 0.00 0.00 175.17 176.78 2i50 h LYS 43 N 2.61 0.00 0.00 8.23 1.57 -1.92 -3.47 116.57 123.60 2i50 h LYS 43 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2i50 h LYS 43 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2i50 h LYS 43 CO 0.51 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.87 2i50 n ALA 44 N -2.50 0.00 0.34 3.86 0.00 -1.26 -5.04 120.51 115.91 2i50 n ALA 44 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.40 2i50 n ALA 44 Cb 0.99 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.70 2i50 n ALA 44 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2i50 n GLU 45 N 0.00 2.30 0.00 0.00 0.28 -1.26 -4.56 120.64 117.40 2i50 n GLU 45 Ca 0.00 -2.01 0.00 0.00 -0.16 0.00 0.00 57.16 54.99 2i50 n GLU 45 Cb 0.00 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.41 2i50 n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2i50 n GLU 46 N 1.16 0.00 0.00 3.44 2.13 -1.26 -4.99 120.64 121.12 2i50 n GLU 46 Ca 0.19 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2i50 n GLU 46 Cb 0.50 -0.97 0.00 0.00 0.27 0.00 0.00 31.44 31.24 2i50 n GLU 46 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2i50 n GLU 47 N -0.72 0.00 -0.00 5.31 2.13 -1.26 -4.93 120.64 121.17 2i50 n GLU 47 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 2i50 n GLU 47 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 2i50 n GLU 47 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2i50 h THR 48 N 0.00 1.32 -3.47 6.31 2.02 -1.94 -3.47 112.91 113.67 2i50 h THR 48 Ca 0.00 -2.04 -0.21 0.00 0.77 0.00 0.00 66.41 64.94 2i50 h THR 48 Cb 0.00 2.23 0.07 0.00 -1.74 0.00 0.00 68.15 68.71 2i50 h THR 48 CO 0.00 0.63 -0.35 -0.62 0.37 0.00 0.00 175.52 175.55 2i50 n GLU 49 N -4.02 -4.08 0.00 6.66 1.02 -1.26 -4.64 120.64 114.32 2i50 n GLU 49 Ca -0.09 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 2i50 n GLU 49 Cb 0.75 -4.25 0.00 0.00 -0.02 0.00 0.00 31.44 27.91 2i50 n GLU 49 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2i50 n GLU 50 N -2.82 0.00 -3.86 3.49 1.02 -1.26 -4.37 120.64 112.85 2i50 n GLU 50 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 2i50 n GLU 50 Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.83 2i50 n GLU 50 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2i50 s LYS 51 N 0.00 2.19 0.44 3.49 0.00 -1.26 -5.08 119.74 119.52 2i50 s LYS 51 Ca 0.00 -3.06 -0.21 0.00 0.00 0.00 0.00 55.97 52.70 2i50 s LYS 51 Cb 0.00 -3.18 -0.11 0.00 0.00 0.00 0.00 37.83 34.54 2i50 s LYS 51 CO 0.00 -1.26 0.96 -1.25 0.00 0.00 0.00 175.35 173.80 2i50 s PRO 52 N -1.05 4.18 0.51 1.78 0.04 -1.26 -4.96 135.00 134.25 2i50 s PRO 52 Ca 0.24 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 2i50 s PRO 52 Cb -0.08 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 2i50 s PRO 52 CO -0.13 -0.07 0.98 -1.54 0.04 0.00 0.00 177.00 176.27 2i50 s SER 53 N -2.19 6.61 -0.24 6.66 1.04 -1.26 -4.87 113.70 119.45 2i50 s SER 53 Ca 0.62 1.55 0.02 0.00 0.48 0.00 0.00 55.95 58.62 2i50 s SER 53 Cb -0.10 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.58 2i50 s SER 53 CO 0.14 -0.58 -0.12 -0.69 0.98 0.00 0.00 173.24 172.97 2i50 s VAL 54 N -2.62 2.08 -0.19 5.02 1.01 -1.26 0.59 120.40 125.04 2i50 s VAL 54 Ca 0.58 -1.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 2i50 s VAL 54 Cb -0.10 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2i50 s VAL 54 CO 0.32 0.05 0.02 0.26 0.00 0.00 0.00 175.10 175.75 2i50 s TRP 55 N 1.16 3.12 -0.24 5.22 0.52 0.14 -0.09 118.94 128.77 2i50 s TRP 55 Ca -0.07 -0.20 -0.08 0.00 0.02 0.00 0.00 56.10 55.78 2i50 s TRP 55 Cb -0.19 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 2i50 s TRP 55 CO -0.06 -0.04 0.09 -1.17 0.02 0.00 0.00 176.95 175.79 2i50 s LEU 56 N 0.66 3.67 -0.17 2.99 2.96 0.92 -0.52 118.68 129.19 2i50 s LEU 56 Ca 0.01 -0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 53.55 2i50 s LEU 56 Cb -0.14 -1.98 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 2i50 s LEU 56 CO 0.02 0.02 2.16 0.00 -1.32 0.00 0.00 176.35 177.23 2i50 n LEU 58 N 10.89 0.00 0.01 0.00 4.77 0.20 0.57 117.00 133.44 2i50 n LEU 58 Ca 0.28 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.41 2i50 n LEU 58 Cb 0.44 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 2i50 n LEU 58 CO 0.66 -0.16 -0.51 0.50 -1.33 0.00 0.00 177.39 176.56 2i50 h LYS 59 N 0.00 0.26 0.00 3.23 1.63 -1.19 -2.45 116.57 118.06 2i50 h LYS 59 Ca 0.00 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2i50 h LYS 59 Cb 0.21 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2i50 h LYS 59 CO 0.00 1.22 0.00 0.00 -3.45 0.00 0.00 179.45 177.22 2i50 n GLY 61 N 0.10 0.50 3.69 0.00 0.00 0.19 -4.75 105.19 104.94 2i50 n GLY 61 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.07 3.41 -0.24 1.61 5.04 -1.24 -4.79 115.29 117.02 2i50 s HIS 62 Ca 0.00 1.46 -0.08 0.00 -1.54 0.00 0.00 55.06 54.90 2i50 s HIS 62 Cb 0.00 -3.27 -0.03 0.00 0.04 0.00 0.00 32.58 29.31 2i50 s HIS 62 CO 0.00 -0.64 0.09 -1.14 -2.34 0.00 0.00 174.74 170.71 2i50 s GLN 63 N 1.93 3.77 0.07 2.88 0.74 -1.26 0.03 119.66 127.82 2i50 s GLN 63 Ca 0.52 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.54 2i50 s GLN 63 Cb -0.21 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 2i50 s GLN 63 CO 0.21 -0.08 -0.09 0.20 -0.55 0.00 0.00 175.29 174.98 2i50 s GLY 64 N 1.34 0.70 0.14 2.59 0.00 0.33 -1.09 107.32 111.33 2i50 s GLY 64 Ca 0.05 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.58 2i50 s GLY 64 CO 0.04 -1.05 0.66 0.00 0.00 0.00 0.00 173.10 172.75 2i50 n GLY 66 N 1.31 -2.53 0.00 0.00 0.00 0.20 -1.06 105.19 103.11 2i50 n GLY 66 Ca -0.06 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.78 0.19 -0.28 1.61 1.85 -1.26 -2.67 116.66 115.32 2i50 n ARG 67 Ca 0.00 0.09 0.11 0.00 -1.00 0.00 0.00 57.85 57.05 2i50 n ARG 67 Cb 0.00 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.18 2i50 n ARG 67 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2i50 n ASN 68 N -1.38 3.67 -4.11 2.89 6.94 -1.26 -4.91 115.26 117.11 2i50 n ASN 68 Ca 0.09 -1.99 -0.22 0.00 -0.02 0.00 0.00 54.58 52.43 2i50 n ASN 68 Cb 0.22 -0.37 0.13 0.00 -2.36 0.00 0.00 39.78 37.39 2i50 n ASN 68 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2i50 n SER 69 N 1.49 0.88 0.07 0.53 3.41 -1.09 -4.73 113.62 114.18 2i50 n SER 69 Ca 0.21 -1.84 -0.21 0.00 -0.26 0.00 0.00 58.87 56.76 2i50 n SER 69 Cb 0.60 -0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 63.72 2i50 n SER 69 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2i50 h GLN 70 N 0.00 0.35 0.06 4.33 -0.00 -1.91 -3.38 115.11 114.57 2i50 h GLN 70 Ca -0.32 -0.60 -0.29 0.00 -0.00 0.00 0.00 58.65 57.43 2i50 h GLN 70 Cb 1.09 0.22 -0.03 0.00 0.00 0.00 0.00 27.48 28.77 2i50 h GLN 70 CO 0.30 1.29 -1.57 0.93 0.00 0.00 0.00 178.83 179.78 2i50 h GLU 71 N -0.23 0.14 -5.48 1.69 4.39 -1.95 -3.49 114.58 109.65 2i50 h GLU 71 Ca -0.20 -0.23 -0.26 0.00 0.34 0.00 0.00 59.36 59.01 2i50 h GLU 71 Cb 1.80 0.09 0.20 0.00 -0.10 0.00 0.00 28.75 30.73 2i50 h GLU 71 CO 0.17 0.91 -0.85 1.04 -1.16 0.00 0.00 179.01 179.11 2i50 n GLN 72 N -3.31 -2.61 0.17 2.33 6.02 -1.26 -4.70 117.38 114.02 2i50 n GLN 72 Ca -0.16 0.86 0.06 0.00 -0.01 0.00 0.00 57.00 57.75 2i50 n GLN 72 Cb 1.03 -5.81 0.55 0.00 1.02 0.00 0.00 30.24 27.03 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 -1.17 0.18 -0.43 1.08 3.86 -1.65 0.69 115.15 117.71 2i50 h HIS 73 Ca -0.61 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.51 2i50 h HIS 73 Cb 1.31 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.71 2i50 h HIS 73 CO 0.31 0.13 -0.12 0.00 0.86 0.00 0.00 177.93 179.12 2i50 h ALA 74 N 1.89 0.98 -0.10 2.45 0.00 -1.32 0.80 119.26 123.96 2i50 h ALA 74 Ca 0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2i50 h ALA 74 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2i50 h ALA 74 CO -0.01 0.60 -0.11 -0.07 0.00 0.00 0.00 179.25 179.67 2i50 h LEU 75 N 0.71 0.27 -1.26 0.00 -0.00 -1.31 -0.64 115.31 113.08 2i50 h LEU 75 Ca 0.12 -0.49 0.11 0.00 -0.00 0.00 0.00 57.88 57.62 2i50 h LEU 75 Cb 0.60 -0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 41.12 2i50 h LEU 75 CO 0.04 0.71 0.56 0.11 -0.00 0.00 0.00 178.44 179.86 2i50 h LYS 76 N -0.16 0.76 -0.17 1.13 1.57 -0.82 0.19 116.57 119.06 2i50 h LYS 76 Ca 0.01 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 2i50 h LYS 76 Cb 0.64 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2i50 h LYS 76 CO 0.03 0.50 -0.44 1.25 -0.57 0.00 0.00 179.45 180.22 2i50 h HIS 77 N 0.78 0.50 -0.27 -1.35 2.76 -0.36 0.19 115.15 117.41 2i50 h HIS 77 Ca 0.42 -0.15 -0.15 0.00 -2.20 0.00 0.00 60.37 58.29 2i50 h HIS 77 Cb 0.53 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2i50 h HIS 77 CO -0.00 0.79 -0.45 -0.92 -1.30 0.00 0.00 177.93 176.04 2i50 h TYR 78 N 0.34 0.86 0.00 5.26 3.20 0.05 -2.96 116.97 123.73 2i50 h TYR 78 Ca 0.03 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.62 2i50 h TYR 78 Cb 0.91 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2i50 h TYR 78 CO 0.03 1.03 0.00 1.28 -1.64 0.00 0.00 178.16 178.85 2i50 n LEU 79 N -4.02 0.00 -4.65 2.82 4.77 0.56 -4.72 117.00 111.76 2i50 n LEU 79 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 2i50 n LEU 79 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 2i50 n LEU 79 CO 0.47 0.00 1.37 -0.89 -1.33 0.00 0.00 177.39 177.01 2i50 s THR 80 N -2.00 3.66 -0.10 -5.08 2.01 0.59 -4.97 115.64 109.76 2i50 s THR 80 Ca 0.47 0.77 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 2i50 s THR 80 Cb 0.22 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 2i50 s THR 80 CO 0.36 -0.16 1.15 -2.16 -0.69 0.00 0.00 174.62 173.12 2i50 s PRO 81 N 4.33 4.35 0.25 4.92 0.04 -1.26 -4.97 135.00 142.65 2i50 s PRO 81 Ca 0.72 1.58 -0.06 0.00 0.04 0.00 0.00 61.00 63.27 2i50 s PRO 81 Cb -0.29 -3.59 0.03 0.00 0.04 0.00 0.00 34.50 30.69 2i50 s PRO 81 CO 0.29 -0.46 0.44 2.89 0.04 0.00 0.00 177.00 180.19 2i50 n ARG 82 N 5.43 0.63 0.01 4.56 1.85 -1.26 -5.07 116.66 122.81 2i50 n ARG 82 Ca 0.11 -1.59 -0.21 0.00 -1.00 0.00 0.00 57.85 55.16 2i50 n ARG 82 Cb 0.47 1.78 -0.14 0.00 -1.05 0.00 0.00 32.46 33.52 2i50 n ARG 82 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2i50 h SER 83 N 1.28 0.39 -3.92 2.89 0.02 -2.05 -3.46 113.55 108.70 2i50 h SER 83 Ca -0.20 -0.86 -0.49 0.00 -0.84 0.00 0.00 61.79 59.40 2i50 h SER 83 Cb 0.79 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.21 2i50 h SER 83 CO 0.26 1.60 0.23 -1.61 -1.14 0.00 0.00 176.83 176.18 2i50 s GLU 84 N -2.47 3.84 0.05 3.45 2.02 -1.26 -5.01 118.70 119.32 2i50 s GLU 84 Ca -0.19 0.68 -0.17 0.00 0.02 0.00 0.00 54.97 55.31 2i50 s GLU 84 Cb 0.04 -2.27 -0.18 0.00 0.10 0.00 0.00 34.13 31.81 2i50 s GLU 84 CO 0.77 -0.15 1.23 -1.00 0.02 0.00 0.00 175.26 176.13 2i50 h PRO 85 N 1.05 0.57 -6.54 0.39 0.13 -1.90 -3.48 132.00 122.22 2i50 h PRO 85 Ca -0.47 -0.47 -0.51 0.00 -0.87 0.00 0.00 66.00 63.68 2i50 h PRO 85 Cb 1.19 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 2i50 h PRO 85 CO 0.63 1.10 -0.89 0.72 -0.23 0.00 0.00 178.00 179.32 2i50 n HIS 86 N -4.17 -1.61 -0.61 1.56 8.25 -1.26 -4.88 115.22 112.50 2i50 n HIS 86 Ca -0.08 0.73 0.09 0.00 -0.26 0.00 0.00 57.72 58.20 2i50 n HIS 86 Cb 0.64 -3.67 0.31 0.00 1.12 0.00 0.00 29.99 28.38 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 -1.86 2.28 0.00 0.00 1.43 -1.26 -0.56 118.68 118.72 2i50 s LEU 88 Ca 0.45 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2i50 s LEU 88 Cb 0.30 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2i50 s LEU 88 CO 0.21 0.04 -0.06 0.68 0.23 0.00 0.00 176.35 177.45 2i50 s VAL 89 N 1.05 0.46 0.13 -1.59 -7.23 -0.64 0.58 120.40 113.15 2i50 s VAL 89 Ca -0.01 -0.38 0.06 0.00 -1.81 0.00 0.00 61.98 59.84 2i50 s VAL 89 Cb -0.14 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2i50 s VAL 89 CO -0.06 0.04 0.00 -1.48 -0.31 0.00 0.00 175.10 173.30 2i50 s LEU 90 N -0.37 3.41 -0.07 1.32 0.05 0.67 -0.05 118.68 123.63 2i50 s LEU 90 Ca 0.00 -0.27 -0.15 0.00 0.05 0.00 0.00 54.13 53.77 2i50 s LEU 90 Cb -0.03 -2.10 -0.05 0.00 -2.05 0.00 0.00 46.19 41.95 2i50 s LEU 90 CO -0.00 0.14 0.38 -0.94 -0.55 0.00 0.00 176.35 175.37 2i50 s SER 91 N -2.59 6.66 -0.09 1.48 1.04 0.12 -0.05 113.70 120.26 2i50 s SER 91 Ca 0.26 0.79 0.08 0.00 0.48 0.00 0.00 55.95 57.56 2i50 s SER 91 Cb -0.11 -2.23 0.40 0.00 0.10 0.00 0.00 66.02 64.19 2i50 s SER 91 CO 0.18 0.20 1.18 0.18 0.98 0.00 0.00 173.24 175.97 2i50 n LEU 92 N 2.67 3.11 -0.02 2.42 4.77 0.86 -1.69 117.00 129.12 2i50 n LEU 92 Ca -0.12 -1.57 -0.07 0.00 -0.03 0.00 0.00 56.01 54.21 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 1.14 -0.10 -1.43 9.92 -1.26 -4.80 116.55 120.41 2i50 n ASP 93 Ca 0.14 0.18 0.02 0.00 -0.53 0.00 0.00 54.79 54.60 2i50 n ASP 93 Cb 0.64 -0.42 -0.00 0.00 -0.64 0.00 0.00 41.12 40.70 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 -3.70 0.83 -3.25 -2.24 5.15 -1.26 -5.01 115.26 105.79 2i50 n ASN 94 Ca -0.12 -0.92 -0.15 0.00 -0.60 0.00 0.00 54.58 52.79 2i50 n ASN 94 Cb 0.39 0.47 0.07 0.00 -0.53 0.00 0.00 39.78 40.18 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 -0.38 -2.43 -4.18 1.20 7.02 -0.68 -5.02 117.44 112.97 2i50 n TRP 95 Ca 0.02 0.86 -0.24 0.00 -1.02 0.00 0.00 57.50 57.12 2i50 n TRP 95 Cb 0.09 -4.20 -0.07 0.00 -2.42 0.00 0.00 31.31 24.71 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 -3.47 4.47 -0.05 -0.99 0.01 -1.25 -4.84 113.70 107.59 2i50 s SER 96 Ca 0.42 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.81 2i50 s SER 96 Cb -0.05 -0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 2i50 s SER 96 CO 0.73 -0.32 -0.12 -0.69 0.41 0.00 0.00 173.24 173.25 2i50 s VAL 97 N -2.49 3.28 -0.06 3.43 1.01 -1.25 0.12 120.40 124.45 2i50 s VAL 97 Ca 0.37 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2i50 s VAL 97 Cb -0.01 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 2i50 s VAL 97 CO 0.22 0.58 -0.20 0.86 0.00 0.00 0.00 175.10 176.55 2i50 s TRP 98 N -0.77 2.04 -0.21 5.22 -0.11 0.93 -0.18 118.94 125.86 2i50 s TRP 98 Ca 0.12 -0.67 0.01 0.00 1.22 0.00 0.00 56.10 56.79 2i50 s TRP 98 Cb -0.11 -1.37 0.03 0.00 -1.50 0.00 0.00 33.47 30.52 2i50 s TRP 98 CO 0.01 -0.24 -0.17 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 -1.11 0.68 116.97 124.49 2i50 h TYR 100 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.40 2i50 h TYR 100 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 2i50 h TYR 100 CO 0.52 0.53 -0.35 1.55 -1.05 0.00 0.00 178.16 179.37 2i50 n VAL 101 N -3.80 0.24 -0.03 -2.88 3.14 -1.26 -2.38 118.33 111.36 2i50 n VAL 101 Ca -0.01 -0.15 -0.13 0.00 -2.96 0.00 0.00 64.34 61.08 2i50 n VAL 101 Cb 0.56 -0.19 -0.14 0.00 -1.06 0.00 0.00 33.84 33.00 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 -3.15 -2.87 -2.68 0.00 2.03 0.23 -5.01 116.55 105.10 2i50 n ASP 103 Ca -0.26 -0.68 -0.06 0.00 0.52 0.00 0.00 54.79 54.32 2i50 n ASP 103 Cb 1.06 -4.93 0.02 0.00 -0.72 0.00 0.00 41.12 36.55 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 -3.13 -1.76 -4.76 1.67 6.94 -1.14 -5.03 115.26 108.05 2i50 n ASN 104 Ca -0.24 -2.12 -0.39 0.00 -0.02 0.00 0.00 54.58 51.80 2i50 n ASN 104 Cb 0.66 2.91 -0.06 0.00 -2.36 0.00 0.00 39.78 40.94 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 4.36 -0.09 -3.83 2.12 -1.26 -1.71 118.70 116.22 2i50 s GLU 105 Ca 0.16 0.82 -0.05 0.00 0.36 0.00 0.00 54.97 56.26 2i50 s GLU 105 Cb -0.03 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 2i50 s GLU 105 CO 0.08 0.38 0.11 0.08 -0.54 0.00 0.00 175.26 175.37 2i50 s VAL 106 N -0.27 5.21 0.07 3.70 1.01 0.75 -4.94 120.40 125.93 2i50 s VAL 106 Ca 0.33 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2i50 s VAL 106 Cb -0.19 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2i50 s VAL 106 CO 0.19 0.56 0.11 -1.10 0.00 0.00 0.00 175.10 174.86 2i50 s GLN 107 N -1.18 3.04 0.12 2.72 1.11 -1.26 -3.81 119.66 120.40 2i50 s GLN 107 Ca 0.17 -0.61 -0.12 0.00 0.01 0.00 0.00 55.36 54.81 2i50 s GLN 107 Cb -0.12 -2.82 0.01 0.00 -1.01 0.00 0.00 33.01 29.07 2i50 s GLN 107 CO 0.06 0.58 0.29 1.52 0.01 0.00 0.00 175.29 177.76 2i50 s TYR 108 N -1.41 0.04 0.24 0.91 -0.85 -1.26 -4.84 117.35 110.18 2i50 s TYR 108 Ca 0.30 -0.42 0.06 0.00 -0.52 0.00 0.00 57.07 56.49 2i50 s TYR 108 Cb -0.12 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.24 2i50 s TYR 108 CO 0.23 -0.64 -0.06 0.00 -1.52 0.00 0.00 175.55 173.56 2i50 n SER 110 N -0.46 0.00 0.07 0.00 7.64 -1.26 -1.47 113.62 118.14 2i50 n SER 110 Ca -0.06 -0.34 0.04 0.00 1.01 0.00 0.00 58.87 59.51 2i50 n SER 110 Cb 0.63 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 2i50 n SER 110 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2i50 h SER 111 N 0.00 0.00 -3.24 6.43 0.02 -1.95 -3.38 113.55 111.43 2i50 h SER 111 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2i50 h SER 111 Cb 0.08 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2i50 h SER 111 CO 0.00 0.41 -0.18 0.21 -1.14 0.00 0.00 176.83 176.13 2i50 s ASN 112 N -5.82 6.68 0.46 3.07 3.84 -0.54 -4.95 114.94 117.67 2i50 s ASN 112 Ca -0.01 0.88 0.18 0.00 0.21 0.00 0.00 52.86 54.12 2i50 s ASN 112 Cb 0.09 -2.21 1.14 0.00 -0.55 0.00 0.00 41.25 39.72 2i50 s ASN 112 CO 0.79 0.09 1.95 -0.61 -2.79 0.00 0.00 177.10 176.53 2i50 h GLN 113 N 3.36 0.30 -0.23 0.43 4.15 -1.88 0.06 115.11 121.28 2i50 h GLN 113 Ca -0.48 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 58.88 2i50 h GLN 113 Cb 1.19 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 2i50 h GLN 113 CO 0.67 0.20 -0.02 1.25 -1.93 0.00 0.00 178.83 179.00 2i50 h LEU 114 N 0.30 0.42 -0.52 -2.39 5.85 -1.92 0.12 115.31 117.18 2i50 h LEU 114 Ca 0.33 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2i50 h LEU 114 Cb 0.86 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2i50 h LEU 114 CO -0.08 0.66 -0.05 1.23 -0.34 0.00 0.00 178.44 179.85 2i50 h GLY 115 N 0.18 1.04 0.43 3.75 0.00 -1.17 0.73 103.07 108.03 2i50 h GLY 115 Ca 0.06 -0.81 0.10 0.00 0.00 0.00 0.00 47.33 46.68 2i50 h GLY 115 CO 0.02 0.74 0.33 1.46 0.00 0.00 0.00 176.54 179.09 2i50 h GLN 116 N 0.83 0.54 0.14 4.80 4.20 -0.76 0.46 115.11 125.32 2i50 h GLN 116 Ca 0.14 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.62 2i50 h GLN 116 Cb 0.60 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.28 2i50 h GLN 116 CO 0.04 0.36 -0.85 0.28 -0.67 0.00 0.00 178.83 177.98 2i50 h VAL 117 N 0.56 1.49 -0.93 -0.54 2.07 -0.46 -0.22 116.25 118.21 2i50 h VAL 117 Ca 0.35 -2.52 0.14 0.00 0.82 0.00 0.00 66.70 65.49 2i50 h VAL 117 Cb 0.39 3.15 -0.08 0.00 -1.52 0.00 0.00 31.29 33.23 2i50 h VAL 117 CO -0.28 0.72 0.60 0.58 0.02 0.00 0.00 177.57 179.20 2i50 h VAL 118 N -0.31 0.85 -0.23 2.57 2.07 -0.71 0.52 116.25 121.01 2i50 h VAL 118 Ca -0.15 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2i50 h VAL 118 Cb 1.66 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2i50 h VAL 118 CO 0.16 0.14 -0.00 -0.78 0.02 0.00 0.00 177.57 177.11 2i50 h ASP 119 N 0.78 0.39 -0.29 0.57 3.58 -0.80 0.35 116.42 121.00 2i50 h ASP 119 Ca 0.47 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2i50 h ASP 119 Cb 0.68 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2i50 h ASP 119 CO -0.24 0.61 0.14 0.22 -2.88 0.00 0.00 179.24 177.09 2i50 h TYR 120 N 0.17 0.43 0.00 0.28 3.20 0.38 0.11 116.97 121.54 2i50 h TYR 120 Ca 0.06 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2i50 h TYR 120 Cb 0.41 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2i50 h TYR 120 CO 0.04 0.39 -0.52 0.28 -1.64 0.00 0.00 178.16 176.70 2i50 h VAL 121 N 0.34 1.32 0.00 1.81 2.07 0.07 0.13 116.25 121.98 2i50 h VAL 121 Ca 0.10 -1.84 -0.10 0.00 0.82 0.00 0.00 66.70 65.68 2i50 h VAL 121 Cb 0.13 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2i50 h VAL 121 CO -0.01 0.51 -0.48 -0.09 0.02 0.00 0.00 177.57 177.52 2i50 h ARG 122 N 0.00 0.00 0.00 1.57 2.43 -0.29 0.79 114.38 118.88 2i50 h ARG 122 Ca -0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2i50 h ARG 122 Cb 0.96 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2i50 h ARG 122 CO 0.07 0.48 -0.36 0.87 -1.51 0.00 0.00 179.97 179.52 2i50 h LYS 123 N 0.00 0.00 0.06 0.20 1.79 0.10 0.10 116.57 118.82 2i50 h LYS 123 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2i50 h LYS 123 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2i50 h LYS 123 CO 0.06 0.36 -0.03 1.96 -1.08 0.00 0.00 179.45 180.72 2i50 h GLN 124 N 0.00 -0.08 -0.30 3.15 1.08 0.42 -3.34 115.11 116.05 2i50 h GLN 124 Ca -0.00 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 2i50 h GLN 124 Cb 1.08 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 2i50 h GLN 124 CO 0.05 0.50 -0.16 0.00 -0.95 0.00 0.00 178.83 178.27 2i50 h ALA 125 N -0.21 0.42 0.00 3.87 0.00 -1.00 -3.51 119.26 118.83 2i50 h ALA 125 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2i50 h ALA 125 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2i50 h ALA 125 CO 0.01 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.46