#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 0.12 -0.28 0.52 0.11 -1.26 -5.12 120.40 114.49 2i50 s VAL 6 Ca 0.00 -0.95 -0.18 0.00 -2.93 0.00 0.00 61.98 57.92 2i50 s VAL 6 Cb 0.00 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 2i50 s VAL 6 CO 0.00 -0.53 0.53 0.00 -3.33 0.00 0.00 175.10 171.77 2i50 n ARG 8 N 5.62 2.26 -0.02 0.00 0.00 -1.26 -4.29 116.66 118.97 2i50 n ARG 8 Ca -0.04 -3.10 0.02 0.00 -0.00 0.00 0.00 57.85 54.74 2i50 n ARG 8 Cb 0.49 -1.96 0.03 0.00 0.00 0.00 0.00 32.46 31.03 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 -0.97 0.00 -0.03 -0.14 8.25 -1.26 -4.75 115.22 116.32 2i50 n HIS 9 Ca 0.40 -0.60 -0.12 0.00 -0.26 0.00 0.00 57.72 57.13 2i50 n HIS 9 Cb 1.23 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 32.19 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 0.07 1.30 0.00 1.59 2.04 -1.95 0.29 117.51 120.86 2i50 h ILE 10 Ca 0.00 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2i50 h ILE 10 Cb 0.62 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2i50 h ILE 10 CO 0.00 0.27 -0.04 0.03 0.00 0.00 0.00 178.15 178.41 2i50 h ARG 11 N -0.18 0.00 0.08 2.37 3.08 -1.85 0.33 114.38 118.21 2i50 h ARG 11 Ca 0.02 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.78 2i50 h ARG 11 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2i50 h ARG 11 CO 0.01 0.04 -1.49 0.87 -1.07 0.00 0.00 179.97 178.33 2i50 h LYS 12 N 0.00 0.18 -0.09 0.04 1.57 -1.72 -3.38 116.57 113.18 2i50 h LYS 12 Ca -0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2i50 h LYS 12 Cb 0.13 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2i50 h LYS 12 CO 0.01 1.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.31 2i50 n GLY 13 N 1.61 1.01 2.84 3.86 0.00 0.97 -4.34 105.19 111.14 2i50 n GLY 13 Ca -0.14 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.80 0.93 -0.51 0.99 0.20 0.11 -1.36 118.68 117.23 2i50 s LEU 14 Ca 0.28 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.95 2i50 s LEU 14 Cb 0.19 -0.62 0.14 0.00 -0.43 0.00 0.00 46.19 45.47 2i50 s LEU 14 CO 0.29 -0.15 0.28 -0.70 -0.29 0.00 0.00 176.35 175.78 2i50 s GLU 15 N 1.74 1.74 0.27 1.98 -6.30 -0.88 -4.62 118.70 112.64 2i50 s GLU 15 Ca 0.03 -2.46 -0.00 0.00 -2.50 0.00 0.00 54.97 50.04 2i50 s GLU 15 Cb -0.13 -2.91 0.56 0.00 0.00 0.00 0.00 34.13 31.65 2i50 s GLU 15 CO -0.06 -1.16 1.76 1.96 0.02 0.00 0.00 175.26 177.78 2i50 h GLN 16 N 6.44 0.59 -0.16 4.30 4.20 -1.90 -0.61 115.11 127.97 2i50 h GLN 16 Ca -0.02 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 2i50 h GLN 16 Cb 0.89 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 2i50 h GLN 16 CO 0.61 0.39 -0.62 0.78 -0.67 0.00 0.00 178.83 179.31 2i50 h GLY 17 N 0.61 0.60 1.47 3.46 0.00 -1.97 -2.53 103.07 104.72 2i50 h GLY 17 Ca 0.48 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 2i50 h GLY 17 CO -0.38 0.67 -0.44 -0.57 0.00 0.00 0.00 176.54 175.83 2i50 h ASN 18 N 0.40 0.61 0.03 0.19 -1.24 -1.65 -3.10 115.58 110.83 2i50 h ASN 18 Ca -0.01 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 56.72 2i50 h ASN 18 Cb 1.18 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 40.06 2i50 h ASN 18 CO 0.12 0.97 -0.03 -0.07 -1.29 0.00 0.00 177.43 177.13 2i50 h LEU 19 N 0.47 -0.07 -0.92 0.34 -0.00 -0.91 -2.55 115.31 111.66 2i50 h LEU 19 Ca 0.03 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 58.05 2i50 h LEU 19 Cb 0.95 0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 41.54 2i50 h LEU 19 CO 0.08 -0.04 0.54 0.11 -0.00 0.00 0.00 178.44 179.13 2i50 h LYS 20 N -0.06 0.79 -0.20 1.13 1.79 -1.38 0.08 116.57 118.71 2i50 h LYS 20 Ca 0.00 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 2i50 h LYS 20 Cb 0.06 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2i50 h LYS 20 CO -0.01 0.52 -0.60 0.87 -1.08 0.00 0.00 179.45 179.15 2i50 h LYS 21 N 0.81 0.67 -0.12 3.15 1.57 -1.55 -2.68 116.57 118.41 2i50 h LYS 21 Ca 0.48 -0.45 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 2i50 h LYS 21 Cb 0.57 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.96 2i50 h LYS 21 CO -0.31 1.07 -0.78 0.00 -0.57 0.00 0.00 179.45 178.86 2i50 h ALA 22 N 0.83 0.26 0.00 3.86 0.00 -0.78 -3.07 119.26 120.36 2i50 h ALA 22 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2i50 h ALA 22 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2i50 h ALA 22 CO 0.12 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.29 2i50 n LEU 23 N -3.97 0.00 0.43 0.00 4.77 -0.12 -2.65 117.00 115.46 2i50 n LEU 23 Ca -0.08 0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 56.19 2i50 n LEU 23 Cb 0.75 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 2i50 n LEU 23 CO 0.53 -0.08 0.53 0.58 -1.33 0.00 0.00 177.39 177.62 2i50 h VAL 24 N 0.00 0.00 -0.58 4.08 2.07 -1.37 -3.24 116.25 117.21 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 0.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 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 -5.15 4.86 -4.83 0.57 3.02 -1.21 -4.94 115.26 107.58 2i50 n ASN 25 Ca -0.14 -2.61 -0.32 0.00 -0.03 0.00 0.00 54.58 51.48 2i50 n ASN 25 Cb 0.45 -0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 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 -2.14 4.28 0.01 2.41 0.11 -1.08 -5.04 120.40 118.94 2i50 s VAL 26 Ca 0.50 1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 60.53 2i50 s VAL 26 Cb 0.34 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.55 2i50 s VAL 26 CO 0.20 -0.72 0.16 -1.83 -3.33 0.00 0.00 175.10 169.59 2i50 s GLU 27 N -4.34 3.31 -0.14 1.54 1.03 -1.26 -5.02 118.70 113.83 2i50 s GLU 27 Ca 0.60 -0.40 -0.04 0.00 0.03 0.00 0.00 54.97 55.15 2i50 s GLU 27 Cb -0.12 -3.01 -0.03 0.00 -0.80 0.00 0.00 34.13 30.17 2i50 s GLU 27 CO 0.39 0.65 0.01 -1.58 -1.33 0.00 0.00 175.26 173.40 2i50 s TRP 28 N -1.33 3.15 -0.83 4.83 0.52 -1.26 -4.43 118.94 119.59 2i50 s TRP 28 Ca 0.28 -0.02 0.00 0.00 0.02 0.00 0.00 56.10 56.38 2i50 s TRP 28 Cb -0.13 -1.94 0.00 0.00 -1.15 0.00 0.00 33.47 30.25 2i50 s TRP 28 CO 0.19 0.19 0.00 -1.71 0.02 0.00 0.00 176.95 175.65 2i50 n ASN 29 N 3.08 -4.21 -4.07 2.95 4.05 -1.26 -4.96 115.26 110.84 2i50 n ASN 29 Ca -0.18 0.19 -0.32 0.00 0.45 0.00 0.00 54.58 54.73 2i50 n ASN 29 Cb 0.53 -2.40 -0.15 0.00 1.23 0.00 0.00 39.78 38.98 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 -2.20 2.21 -0.41 -1.44 1.01 -1.26 -4.91 121.20 114.19 2i50 s ILE 30 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 60.65 58.66 2i50 s ILE 30 Cb 0.00 -2.34 -0.08 0.00 0.01 0.00 0.00 42.46 40.05 2i50 s ILE 30 CO 0.00 -0.09 2.34 0.00 0.00 0.00 0.00 174.94 177.18 2i50 h GLN 32 N 16.47 0.59 0.00 0.00 4.20 -1.60 0.15 115.11 134.92 2i50 h GLN 32 Ca -0.29 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2i50 h GLN 32 Cb 1.27 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2i50 h GLN 32 CO 1.08 0.39 0.00 0.22 -0.67 0.00 0.00 178.83 179.85 2i50 h ASP 33 N 0.61 0.00 0.22 1.46 3.58 -1.85 -1.17 116.42 119.26 2i50 h ASP 33 Ca 0.30 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.45 2i50 h ASP 33 Cb 0.37 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.45 2i50 h ASP 33 CO -0.09 0.00 -1.32 0.00 -2.88 0.00 0.00 179.24 174.94 2i50 h LYS 35 N -0.00 0.36 -0.18 0.00 2.10 -1.06 -1.45 116.57 116.34 2i50 h LYS 35 Ca -0.23 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2i50 h LYS 35 Cb 2.02 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.41 2i50 h LYS 35 CO 0.24 0.93 0.00 0.25 -2.00 0.00 0.00 179.45 178.86 2i50 n THR 36 N -3.83 0.23 -2.95 0.07 -2.24 -0.73 -4.60 114.28 100.22 2i50 n THR 36 Ca -0.04 -0.43 -0.44 0.00 -2.27 0.00 0.00 64.05 60.87 2i50 n THR 36 Cb 0.69 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.64 6.82 -0.02 3.42 -1.08 -0.55 -4.52 116.67 119.11 2i50 s ASP 37 Ca 0.34 -2.47 0.13 0.00 -0.52 0.00 0.00 52.55 50.03 2i50 s ASP 37 Cb 0.19 -2.39 0.39 0.00 -1.46 0.00 0.00 42.92 39.65 2i50 s ASP 37 CO 0.28 -0.91 1.32 -3.20 0.52 0.00 0.00 175.17 173.19 2i50 n ASN 38 N 6.05 3.23 0.00 -0.34 5.15 -1.26 -4.43 115.26 123.65 2i50 n ASN 38 Ca 0.29 -2.12 -0.17 0.00 -0.60 0.00 0.00 54.58 51.97 2i50 n ASN 38 Cb 0.46 -0.31 -0.13 0.00 -0.53 0.00 0.00 39.78 39.27 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2i50 h LYS 39 N 2.36 0.23 -6.33 1.20 6.56 -1.97 -3.45 116.57 115.18 2i50 h LYS 39 Ca 0.00 -0.33 -0.60 0.00 -1.06 0.00 0.00 60.65 58.67 2i50 h LYS 39 Cb 0.87 0.11 -0.11 0.00 -0.57 0.00 0.00 32.23 32.53 2i50 h LYS 39 CO 0.03 1.10 -0.66 0.14 -2.06 0.00 0.00 179.45 178.00 2i50 s VAL 40 N -2.66 3.58 -0.38 0.50 -7.23 -1.26 -5.09 120.40 107.86 2i50 s VAL 40 Ca -0.15 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2i50 s VAL 40 Cb 0.00 -2.82 0.12 0.00 0.56 0.00 0.00 36.38 34.24 2i50 s VAL 40 CO 0.78 -0.17 0.16 -0.54 -0.31 0.00 0.00 175.10 175.02 2i50 s LYS 41 N -3.09 1.15 0.00 4.82 1.02 -1.26 -4.78 119.74 117.60 2i50 s LYS 41 Ca 0.28 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2i50 s LYS 41 Cb -0.09 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2i50 s LYS 41 CO 0.18 -1.06 0.08 -0.25 -0.92 0.00 0.00 175.35 173.38 2i50 n ASP 42 N 4.12 0.08 0.22 2.83 9.92 -1.26 -4.77 116.55 127.69 2i50 n ASP 42 Ca 0.04 -1.01 0.10 0.00 -0.53 0.00 0.00 54.79 53.39 2i50 n ASP 42 Cb 0.38 0.00 0.45 0.00 -0.64 0.00 0.00 41.12 41.31 2i50 n ASP 42 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2i50 h LYS 43 N 0.00 0.00 -0.00 -1.24 1.57 -1.94 -2.54 116.57 112.42 2i50 h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i50 h LYS 43 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2i50 h LYS 43 CO 0.00 0.21 -0.27 0.00 -0.57 0.00 0.00 179.45 178.82 2i50 n ALA 44 N -2.21 2.92 1.14 3.86 0.00 -1.26 -4.23 120.51 120.74 2i50 n ALA 44 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 53.44 53.13 2i50 n ALA 44 Cb 0.44 -0.32 0.11 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.61 1.63 -2.09 0.00 4.71 -0.96 -4.79 120.64 118.53 2i50 n GLU 45 Ca 0.03 -0.93 -0.43 0.00 -0.01 0.00 0.00 57.16 55.83 2i50 n GLU 45 Cb 0.17 -1.23 -0.03 0.00 -1.01 0.00 0.00 31.44 29.35 2i50 n GLU 45 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2i50 s GLU 46 N -1.66 3.72 0.00 3.49 -6.30 -1.21 -4.92 118.70 111.83 2i50 s GLU 46 Ca 0.17 1.62 0.00 0.00 -2.50 0.00 0.00 54.97 54.27 2i50 s GLU 46 Cb 0.09 -4.06 0.00 0.00 0.00 0.00 0.00 34.13 30.16 2i50 s GLU 46 CO 0.11 -1.39 0.00 -1.91 0.02 0.00 0.00 175.26 172.09 2i50 n GLU 47 N 7.80 0.00 0.00 4.30 0.00 -1.26 -4.58 120.64 126.90 2i50 n GLU 47 Ca 0.19 0.17 0.11 0.00 0.00 0.00 0.00 57.16 57.64 2i50 n GLU 47 Cb 0.45 -0.58 0.68 0.00 0.00 0.00 0.00 31.44 31.99 2i50 n GLU 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2i50 n THR 48 N -1.67 0.00 -2.53 6.31 -1.04 -1.26 -4.84 114.28 109.26 2i50 n THR 48 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2i50 n THR 48 Cb 0.00 -0.61 0.03 0.00 -1.82 0.00 0.00 70.33 67.94 2i50 n THR 48 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2i50 n GLU 49 N -0.98 -1.22 -3.34 -2.82 1.02 -1.26 -5.02 120.64 107.02 2i50 n GLU 49 Ca 0.17 0.66 -0.35 0.00 -0.02 0.00 0.00 57.16 57.62 2i50 n GLU 49 Cb 0.08 -4.11 -0.06 0.00 -0.02 0.00 0.00 31.44 27.33 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 -3.64 3.99 -0.57 3.49 2.02 -1.26 -5.04 118.70 117.70 2i50 s GLU 50 Ca 0.21 0.51 -0.05 0.00 0.02 0.00 0.00 54.97 55.67 2i50 s GLU 50 Cb -0.03 -2.91 0.15 0.00 0.10 0.00 0.00 34.13 31.44 2i50 s GLU 50 CO 0.45 0.46 0.40 0.15 0.02 0.00 0.00 175.26 176.74 2i50 s LYS 51 N -2.00 2.50 0.26 1.61 3.01 -1.26 -5.06 119.74 118.80 2i50 s LYS 51 Ca 0.39 -2.25 -0.29 0.00 -1.01 0.00 0.00 55.97 52.80 2i50 s LYS 51 Cb -0.15 -3.78 -0.09 0.00 -1.01 0.00 0.00 37.83 32.80 2i50 s LYS 51 CO 0.19 -1.16 1.18 -1.25 0.51 0.00 0.00 175.35 174.82 2i50 s PRO 52 N 0.44 4.53 0.44 -1.68 0.04 -1.26 -4.98 135.00 132.52 2i50 s PRO 52 Ca 0.13 1.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 2i50 s PRO 52 Cb -0.21 -3.18 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 2i50 s PRO 52 CO -0.04 0.03 1.22 -1.54 0.04 0.00 0.00 177.00 176.71 2i50 s SER 53 N -0.47 6.20 -0.24 6.66 1.04 -1.26 -4.81 113.70 120.82 2i50 s SER 53 Ca 0.48 2.44 -0.04 0.00 0.48 0.00 0.00 55.95 59.32 2i50 s SER 53 Cb -0.34 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.16 2i50 s SER 53 CO 0.42 -0.91 -0.02 -0.69 0.98 0.00 0.00 173.24 173.02 2i50 s VAL 54 N -1.42 3.41 -0.18 5.02 1.01 -1.26 0.43 120.40 127.41 2i50 s VAL 54 Ca 0.61 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2i50 s VAL 54 Cb -0.33 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2i50 s VAL 54 CO 0.40 0.31 0.01 0.26 0.00 0.00 0.00 175.10 176.08 2i50 s TRP 55 N 1.46 3.10 -0.22 5.22 0.52 0.12 -0.28 118.94 128.86 2i50 s TRP 55 Ca 0.04 -0.25 -0.07 0.00 0.02 0.00 0.00 56.10 55.83 2i50 s TRP 55 Cb -0.15 -2.06 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 2i50 s TRP 55 CO -0.02 -0.07 0.07 -1.17 0.02 0.00 0.00 176.95 175.77 2i50 s LEU 56 N 0.67 3.65 -0.21 2.99 2.96 0.17 -0.82 118.68 128.08 2i50 s LEU 56 Ca 0.00 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.57 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 0.07 1.98 0.00 -1.32 0.00 0.00 176.35 177.10 2i50 n LEU 58 N 10.23 0.00 -0.01 0.00 4.77 0.18 0.18 117.00 132.35 2i50 n LEU 58 Ca 0.25 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 56.24 2i50 n LEU 58 Cb 0.45 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 2i50 n LEU 58 CO 0.67 -0.05 -0.55 0.50 -1.33 0.00 0.00 177.39 176.62 2i50 h LYS 59 N 0.00 0.21 0.00 3.23 1.63 -1.34 -2.33 116.57 117.97 2i50 h LYS 59 Ca 0.00 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 2i50 h LYS 59 Cb 0.18 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2i50 h LYS 59 CO 0.00 1.17 0.00 0.00 -3.45 0.00 0.00 179.45 177.17 2i50 n GLY 61 N 0.15 0.51 3.70 0.00 0.00 0.13 -4.69 105.19 104.99 2i50 n GLY 61 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 3.48 -0.19 1.61 5.04 -1.25 -4.80 115.29 117.19 2i50 s HIS 62 Ca 0.00 1.50 -0.03 0.00 -1.54 0.00 0.00 55.06 54.99 2i50 s HIS 62 Cb 0.00 -3.25 -0.02 0.00 0.04 0.00 0.00 32.58 29.35 2i50 s HIS 62 CO 0.00 -0.56 -0.05 -1.14 -2.34 0.00 0.00 174.74 170.64 2i50 s GLN 63 N 1.54 3.47 0.13 2.88 0.74 -1.26 0.01 119.66 127.16 2i50 s GLN 63 Ca 0.53 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 55.35 2i50 s GLN 63 Cb -0.22 -2.92 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 2i50 s GLN 63 CO 0.24 0.00 -0.03 0.20 -0.55 0.00 0.00 175.29 175.15 2i50 s GLY 64 N 0.96 0.95 0.03 2.59 0.00 -0.00 -1.36 107.32 110.48 2i50 s GLY 64 Ca -0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 44.72 43.14 2i50 s GLY 64 CO 0.01 -1.48 0.41 0.00 0.00 0.00 0.00 173.10 172.04 2i50 n GLY 66 N 1.52 0.22 0.00 0.00 0.00 0.17 -1.91 105.19 105.18 2i50 n GLY 66 Ca -0.12 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.59 2i50 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i50 n ARG 67 N 0.00 0.24 -0.08 1.61 1.74 -1.26 -2.73 116.66 116.18 2i50 n ARG 67 Ca 0.00 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 2i50 n ARG 67 Cb 0.00 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.28 2i50 n ARG 67 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2i50 n ASN 68 N -1.36 2.14 -4.95 0.55 4.13 -1.26 -4.90 115.26 109.60 2i50 n ASN 68 Ca 0.10 -1.76 -0.20 0.00 1.68 0.00 0.00 54.58 54.40 2i50 n ASN 68 Cb 0.25 -0.11 0.07 0.00 -1.54 0.00 0.00 39.78 38.45 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 -1.66 4.96 -0.01 6.41 1.04 -1.10 -4.70 113.70 118.63 2i50 s SER 69 Ca 0.34 -0.72 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 2i50 s SER 69 Cb 0.19 0.19 -0.33 0.00 0.10 0.00 0.00 66.02 66.17 2i50 s SER 69 CO 0.29 -1.43 0.84 -0.61 0.98 0.00 0.00 173.24 173.30 2i50 h GLN 70 N 0.04 0.45 0.06 4.02 5.75 -1.90 -3.38 115.11 120.16 2i50 h GLN 70 Ca -0.32 -0.78 -0.32 0.00 -0.15 0.00 0.00 58.65 57.08 2i50 h GLN 70 Cb 1.28 0.29 -0.03 0.00 1.07 0.00 0.00 27.48 30.09 2i50 h GLN 70 CO 0.41 1.37 -1.82 1.05 -2.65 0.00 0.00 178.83 177.19 2i50 h GLU 71 N 0.06 0.14 -5.99 1.69 9.09 -1.95 -3.49 114.58 114.13 2i50 h GLU 71 Ca -0.29 -0.23 -0.38 0.00 0.05 0.00 0.00 59.36 58.51 2i50 h GLU 71 Cb 2.08 0.09 0.10 0.00 -1.65 0.00 0.00 28.75 29.37 2i50 h GLU 71 CO 0.22 0.86 -0.88 1.04 0.05 0.00 0.00 179.01 180.30 2i50 n GLN 72 N -3.27 -2.89 -0.24 1.06 6.02 -1.26 -4.78 117.38 112.01 2i50 n GLN 72 Ca -0.23 0.62 0.12 0.00 -0.01 0.00 0.00 57.00 57.50 2i50 n GLN 72 Cb 1.05 -4.94 0.40 0.00 1.02 0.00 0.00 30.24 27.77 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 -1.69 0.75 -0.48 1.08 3.86 -1.79 -0.82 115.15 116.06 2i50 h HIS 73 Ca -0.63 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 58.53 2i50 h HIS 73 Cb 1.35 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 2i50 h HIS 73 CO 0.38 0.29 0.00 0.00 0.86 0.00 0.00 177.93 179.46 2i50 h ALA 74 N 1.61 1.10 -0.10 2.45 0.00 -1.65 0.74 119.26 123.41 2i50 h ALA 74 Ca 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2i50 h ALA 74 Cb 0.71 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2i50 h ALA 74 CO -0.18 0.57 -0.07 -0.07 0.00 0.00 0.00 179.25 179.50 2i50 h LEU 75 N 0.74 0.24 -1.36 0.00 -0.00 -1.41 -0.92 115.31 112.60 2i50 h LEU 75 Ca 0.15 -0.45 0.10 0.00 -0.00 0.00 0.00 57.88 57.68 2i50 h LEU 75 Cb 0.45 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 40.99 2i50 h LEU 75 CO 0.02 0.63 0.52 0.11 -0.00 0.00 0.00 178.44 179.72 2i50 h LYS 76 N -0.15 0.68 -0.14 1.13 1.57 -1.00 -0.02 116.57 118.64 2i50 h LYS 76 Ca 0.02 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2i50 h LYS 76 Cb 0.55 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2i50 h LYS 76 CO 0.02 0.45 -0.38 1.25 -0.57 0.00 0.00 179.45 180.22 2i50 h HIS 77 N 0.70 0.35 -0.23 -1.35 2.76 -0.17 0.20 115.15 117.41 2i50 h HIS 77 Ca 0.37 -0.09 -0.15 0.00 -2.20 0.00 0.00 60.37 58.30 2i50 h HIS 77 Cb 0.50 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2i50 h HIS 77 CO -0.00 0.64 -0.49 -0.92 -1.30 0.00 0.00 177.93 175.86 2i50 h TYR 78 N 0.25 0.75 0.00 5.26 3.20 -0.08 -2.93 116.97 123.42 2i50 h TYR 78 Ca 0.03 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.65 2i50 h TYR 78 Cb 0.79 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2i50 h TYR 78 CO 0.02 0.98 0.00 1.28 -1.64 0.00 0.00 178.16 178.80 2i50 n LEU 79 N -3.99 0.00 -4.72 2.82 4.77 -0.13 -4.74 117.00 111.01 2i50 n LEU 79 Ca -0.03 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 2i50 n LEU 79 Cb 0.57 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2i50 n LEU 79 CO 0.47 -0.00 1.01 -0.89 -1.33 0.00 0.00 177.39 176.65 2i50 s THR 80 N -2.22 3.47 -0.47 -5.08 2.01 0.58 -4.89 115.64 109.04 2i50 s THR 80 Ca 0.39 1.06 -0.26 0.00 0.31 0.00 0.00 61.69 63.19 2i50 s THR 80 Cb 0.20 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 2i50 s THR 80 CO 0.39 0.09 2.39 -2.16 -0.69 0.00 0.00 174.62 174.63 2i50 s PRO 81 N 1.01 2.20 -0.02 4.92 0.04 -1.26 -4.93 135.00 136.96 2i50 s PRO 81 Ca 0.63 1.46 0.03 0.00 0.04 0.00 0.00 61.00 63.16 2i50 s PRO 81 Cb -0.35 -4.56 -0.01 0.00 0.04 0.00 0.00 34.50 29.62 2i50 s PRO 81 CO 0.30 -3.17 -0.11 1.03 0.04 0.00 0.00 177.00 175.09 2i50 s ARG 82 N 8.08 1.00 -0.15 4.56 1.81 -1.26 -5.01 118.95 127.97 2i50 s ARG 82 Ca 0.98 -0.40 -0.11 0.00 -1.72 0.00 0.00 55.73 54.48 2i50 s ARG 82 Cb -0.19 -0.95 -0.24 0.00 -0.45 0.00 0.00 34.95 33.13 2i50 s ARG 82 CO 0.27 0.21 0.31 0.45 -0.68 0.00 0.00 175.30 175.86 2i50 n SER 83 N 2.95 2.05 -4.71 0.23 2.88 -1.26 -4.76 113.62 111.00 2i50 n SER 83 Ca -0.15 0.26 -0.42 0.00 -1.33 0.00 0.00 58.87 57.23 2i50 n SER 83 Cb 0.55 -0.89 -0.03 0.00 -0.75 0.00 0.00 64.21 63.09 2i50 n SER 83 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2i50 s GLU 84 N -2.50 4.57 -0.51 -1.46 8.01 -1.26 -4.95 118.70 120.60 2i50 s GLU 84 Ca -0.25 1.46 -0.27 0.00 0.01 0.00 0.00 54.97 55.93 2i50 s GLU 84 Cb 0.07 -3.43 0.03 0.00 -4.31 0.00 0.00 34.13 26.48 2i50 s GLU 84 CO 0.71 -0.03 1.03 -1.25 0.01 0.00 0.00 175.26 175.74 2i50 s PRO 85 N 0.83 3.53 -0.19 0.39 0.04 -1.26 -4.83 135.00 133.50 2i50 s PRO 85 Ca 0.52 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 2i50 s PRO 85 Cb -0.22 -3.97 0.13 0.00 0.04 0.00 0.00 34.50 30.48 2i50 s PRO 85 CO 0.29 -1.41 2.01 0.72 0.04 0.00 0.00 177.00 178.64 2i50 n HIS 86 N 7.66 0.93 -0.07 0.56 8.25 -1.26 -3.95 115.22 127.33 2i50 n HIS 86 Ca 0.07 -1.59 0.10 0.00 -0.26 0.00 0.00 57.72 56.05 2i50 n HIS 86 Cb 0.48 -0.78 0.29 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.04 3.02 0.02 0.00 1.43 -1.26 -1.16 118.68 119.69 2i50 s LEU 88 Ca 0.43 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2i50 s LEU 88 Cb 0.23 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 2i50 s LEU 88 CO 0.29 0.00 -0.05 0.68 0.23 0.00 0.00 176.35 177.50 2i50 s VAL 89 N 1.35 0.33 0.24 -1.59 -7.23 -0.69 0.49 120.40 113.29 2i50 s VAL 89 Ca 0.04 -0.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.62 2i50 s VAL 89 Cb -0.14 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 2i50 s VAL 89 CO -0.01 -0.23 0.09 -1.48 -0.31 0.00 0.00 175.10 173.16 2i50 s LEU 90 N -0.97 3.52 -0.18 1.32 0.05 0.04 0.14 118.68 122.60 2i50 s LEU 90 Ca -0.07 -0.40 -0.09 0.00 0.05 0.00 0.00 54.13 53.61 2i50 s LEU 90 Cb -0.07 -2.07 -0.05 0.00 -2.05 0.00 0.00 46.19 41.96 2i50 s LEU 90 CO -0.00 0.00 0.14 -0.94 -0.55 0.00 0.00 176.35 175.01 2i50 s SER 91 N -3.59 6.27 -0.08 1.48 1.04 0.80 -0.66 113.70 118.97 2i50 s SER 91 Ca 0.31 0.31 0.05 0.00 0.48 0.00 0.00 55.95 57.11 2i50 s SER 91 Cb -0.08 -2.09 0.29 0.00 0.10 0.00 0.00 66.02 64.25 2i50 s SER 91 CO 0.22 0.24 0.99 0.18 0.98 0.00 0.00 173.24 175.85 2i50 n LEU 92 N 3.11 2.57 -0.01 2.42 4.77 0.61 -1.69 117.00 128.78 2i50 n LEU 92 Ca -0.17 -1.30 -0.03 0.00 -0.03 0.00 0.00 56.01 54.48 2i50 n LEU 92 Cb 0.53 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2i50 n LEU 92 CO 0.36 0.38 -0.23 -0.67 -1.33 0.00 0.00 177.39 175.90 2i50 n ASP 93 N 0.24 1.03 -0.11 -1.43 -0.08 -1.26 -4.78 116.55 110.16 2i50 n ASP 93 Ca 0.10 0.16 0.04 0.00 -1.51 0.00 0.00 54.79 53.58 2i50 n ASP 93 Cb 0.55 -0.45 -0.02 0.00 2.34 0.00 0.00 41.12 43.54 2i50 n ASP 93 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2i50 n ASN 94 N -3.50 0.80 -3.08 1.67 2.85 -1.26 -5.00 115.26 107.74 2i50 n ASN 94 Ca -0.05 -0.90 -0.10 0.00 -0.11 0.00 0.00 54.58 53.42 2i50 n ASN 94 Cb 0.18 0.71 0.05 0.00 1.24 0.00 0.00 39.78 41.96 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2i50 n TRP 95 N -0.70 -2.42 -4.17 1.20 7.02 -0.68 -5.03 117.44 112.66 2i50 n TRP 95 Ca 0.03 0.87 -0.23 0.00 -1.02 0.00 0.00 57.50 57.14 2i50 n TRP 95 Cb 0.16 -4.00 -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 -3.25 4.62 -0.09 -0.99 0.01 -1.24 -4.84 113.70 107.92 2i50 s SER 96 Ca 0.32 -0.74 -0.01 0.00 1.31 0.00 0.00 55.95 56.83 2i50 s SER 96 Cb -0.04 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 2i50 s SER 96 CO 0.69 -0.21 -0.05 -0.69 0.41 0.00 0.00 173.24 173.40 2i50 s VAL 97 N -2.40 3.88 -0.05 3.43 1.01 -1.25 -0.14 120.40 124.87 2i50 s VAL 97 Ca 0.36 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2i50 s VAL 97 Cb -0.03 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 2i50 s VAL 97 CO 0.22 0.58 -0.19 0.86 0.00 0.00 0.00 175.10 176.56 2i50 s TRP 98 N -0.59 1.95 -0.25 5.22 -0.11 0.12 -0.05 118.94 125.23 2i50 s TRP 98 Ca 0.09 -0.60 0.00 0.00 1.22 0.00 0.00 56.10 56.81 2i50 s TRP 98 Cb -0.12 -1.31 0.04 0.00 -1.50 0.00 0.00 33.47 30.59 2i50 s TRP 98 CO 0.02 -0.21 -0.08 0.00 -4.62 0.00 0.00 176.95 172.05 2i50 h TYR 100 N 7.91 0.06 0.00 0.00 0.05 -1.43 0.48 116.97 124.04 2i50 h TYR 100 Ca -0.27 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2i50 h TYR 100 Cb 1.08 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2i50 h TYR 100 CO 0.59 0.39 -0.51 -0.24 -1.05 0.00 0.00 178.16 177.34 2i50 h VAL 101 N 0.05 0.00 0.00 -2.88 3.04 -1.94 -3.04 116.25 111.47 2i50 h VAL 101 Ca 0.00 -0.70 -0.29 0.00 -1.01 0.00 0.00 66.70 64.70 2i50 h VAL 101 Cb 0.64 1.40 -0.05 0.00 -2.01 0.00 0.00 31.29 31.26 2i50 h VAL 101 CO 0.05 0.00 -1.76 0.00 -1.01 0.00 0.00 177.57 174.85 2i50 n ASP 103 N -3.01 -4.18 -3.20 0.00 2.03 0.16 -5.01 116.55 103.34 2i50 n ASP 103 Ca -0.18 -0.37 -0.12 0.00 0.52 0.00 0.00 54.79 54.64 2i50 n ASP 103 Cb 1.05 -3.51 -0.02 0.00 -0.72 0.00 0.00 41.12 37.93 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 -3.38 0.44 -0.12 1.67 4.22 -1.17 -5.02 114.94 111.58 2i50 s ASN 104 Ca 0.29 -1.28 -0.17 0.00 -2.14 0.00 0.00 52.86 49.56 2i50 s ASN 104 Cb -0.13 0.73 -0.04 0.00 1.28 0.00 0.00 41.25 43.09 2i50 s ASN 104 CO 0.48 -1.44 0.42 -0.70 -2.04 0.00 0.00 177.10 173.82 2i50 s GLU 105 N -2.87 4.29 -0.09 3.55 2.12 -1.26 -1.67 118.70 122.76 2i50 s GLU 105 Ca 0.23 0.35 -0.10 0.00 0.36 0.00 0.00 54.97 55.82 2i50 s GLU 105 Cb -0.02 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 2i50 s GLU 105 CO 0.15 0.22 0.22 0.08 -0.54 0.00 0.00 175.26 175.40 2i50 s VAL 106 N 0.45 5.36 -0.08 3.70 1.01 0.93 -4.96 120.40 126.81 2i50 s VAL 106 Ca 0.23 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.64 2i50 s VAL 106 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2i50 s VAL 106 CO 0.09 0.59 -0.13 -1.10 0.00 0.00 0.00 175.10 174.55 2i50 s GLN 107 N -0.95 2.87 0.28 2.72 -1.52 -1.26 -3.76 119.66 118.04 2i50 s GLN 107 Ca 0.17 -0.68 0.05 0.00 -1.95 0.00 0.00 55.36 52.95 2i50 s GLN 107 Cb -0.13 -2.49 -0.02 0.00 -0.22 0.00 0.00 33.01 30.14 2i50 s GLN 107 CO 0.07 0.47 0.18 2.48 -0.25 0.00 0.00 175.29 178.23 2i50 n TYR 108 N 2.78 -0.36 -3.66 0.91 0.18 -1.26 -5.02 117.16 110.73 2i50 n TYR 108 Ca -0.18 -2.14 -0.07 0.00 1.88 0.00 0.00 57.90 57.39 2i50 n TYR 108 Cb 0.52 0.15 0.02 0.00 -0.38 0.00 0.00 39.34 39.65 2i50 n TYR 108 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i50 h SER 110 N 1.64 0.00 0.92 0.00 0.02 -1.98 -1.34 113.55 112.80 2i50 h SER 110 Ca -0.28 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.50 2i50 h SER 110 Cb 1.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2i50 h SER 110 CO 0.35 0.00 -0.81 -1.28 -1.14 0.00 0.00 176.83 173.95 2i50 h SER 111 N 0.00 0.00 -3.75 3.07 0.87 -1.95 -3.39 113.55 108.40 2i50 h SER 111 Ca 0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2i50 h SER 111 Cb 0.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2i50 h SER 111 CO 0.00 0.81 0.35 0.20 -0.53 0.00 0.00 176.83 177.66 2i50 s ASN 112 N -6.71 7.64 0.48 6.23 -0.87 -0.51 -4.92 114.94 116.28 2i50 s ASN 112 Ca 0.01 1.95 0.14 0.00 -1.57 0.00 0.00 52.86 53.38 2i50 s ASN 112 Cb 0.11 -2.61 1.12 0.00 -0.02 0.00 0.00 41.25 39.85 2i50 s ASN 112 CO 0.79 0.15 2.10 -0.61 -2.57 0.00 0.00 177.10 176.95 2i50 h GLN 113 N 4.19 0.11 -0.52 -0.60 4.15 -1.85 0.69 115.11 121.29 2i50 h GLN 113 Ca -0.45 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 58.92 2i50 h GLN 113 Cb 1.20 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 2i50 h GLN 113 CO 0.68 0.12 0.17 1.25 -1.93 0.00 0.00 178.83 179.12 2i50 h LEU 114 N 0.12 0.74 -0.45 -2.39 5.85 -1.91 0.11 115.31 117.38 2i50 h LEU 114 Ca 0.03 -0.20 -0.15 0.00 0.84 0.00 0.00 57.88 58.40 2i50 h LEU 114 Cb 0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2i50 h LEU 114 CO -0.00 0.74 -0.32 1.23 -0.34 0.00 0.00 178.44 179.75 2i50 h GLY 115 N 0.70 1.02 0.60 3.75 0.00 -1.17 0.90 103.07 108.87 2i50 h GLY 115 Ca 0.17 -0.99 0.06 0.00 0.00 0.00 0.00 47.33 46.57 2i50 h GLY 115 CO -0.01 0.90 0.23 1.46 0.00 0.00 0.00 176.54 179.12 2i50 h GLN 116 N 0.79 0.43 0.03 4.80 4.20 -0.53 0.31 115.11 125.14 2i50 h GLN 116 Ca 0.08 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 2i50 h GLN 116 Cb 0.91 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.60 2i50 h GLN 116 CO 0.08 0.29 -0.49 0.28 -0.67 0.00 0.00 178.83 178.32 2i50 h VAL 117 N 0.44 1.52 -0.78 -0.54 2.07 -0.57 -0.58 116.25 117.81 2i50 h VAL 117 Ca 0.25 -2.17 0.11 0.00 0.82 0.00 0.00 66.70 65.70 2i50 h VAL 117 Cb 0.22 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.80 2i50 h VAL 117 CO -0.21 0.61 0.51 0.58 0.02 0.00 0.00 177.57 179.08 2i50 h VAL 118 N -0.37 0.91 -0.30 2.57 2.07 -0.77 0.53 116.25 120.90 2i50 h VAL 118 Ca -0.07 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 2i50 h VAL 118 Cb 1.27 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2i50 h VAL 118 CO 0.10 0.12 -0.05 -0.78 0.02 0.00 0.00 177.57 176.98 2i50 h ASP 119 N 0.65 0.55 -0.31 0.57 3.58 -0.81 0.33 116.42 120.99 2i50 h ASP 119 Ca 0.37 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2i50 h ASP 119 Cb 0.54 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2i50 h ASP 119 CO -0.14 0.77 0.11 0.22 -2.88 0.00 0.00 179.24 177.32 2i50 h TYR 120 N 0.33 0.48 0.00 0.28 3.20 0.37 -0.66 116.97 120.97 2i50 h TYR 120 Ca 0.08 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 2i50 h TYR 120 Cb 0.51 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2i50 h TYR 120 CO 0.05 0.48 -0.46 0.28 -1.64 0.00 0.00 178.16 176.86 2i50 h VAL 121 N 0.34 1.07 0.00 1.81 2.07 0.12 0.84 116.25 122.51 2i50 h VAL 121 Ca 0.10 -1.76 -0.08 0.00 0.82 0.00 0.00 66.70 65.78 2i50 h VAL 121 Cb 0.22 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2i50 h VAL 121 CO -0.01 0.45 -0.40 -0.09 0.02 0.00 0.00 177.57 177.55 2i50 h ARG 122 N 0.00 0.00 0.00 1.57 2.43 0.15 0.14 114.38 118.67 2i50 h ARG 122 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2i50 h ARG 122 Cb 0.99 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2i50 h ARG 122 CO 0.06 0.40 -0.51 0.87 -1.51 0.00 0.00 179.97 179.28 2i50 h LYS 123 N 0.00 0.00 -0.02 0.20 1.79 0.53 0.22 116.57 119.29 2i50 h LYS 123 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2i50 h LYS 123 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2i50 h LYS 123 CO 0.05 0.51 -0.09 1.96 -1.08 0.00 0.00 179.45 180.81 2i50 h GLN 124 N 0.00 0.09 0.00 3.15 1.08 0.66 -3.29 115.11 116.79 2i50 h GLN 124 Ca -0.01 -0.07 -0.18 0.00 -1.45 0.00 0.00 58.65 56.95 2i50 h GLN 124 Cb 1.17 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2i50 h GLN 124 CO 0.07 0.74 -0.69 0.00 -0.95 0.00 0.00 178.83 178.00 2i50 h ALA 125 N 0.34 0.08 0.00 3.87 0.00 -0.91 -3.50 119.26 119.15 2i50 h ALA 125 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2i50 h ALA 125 Cb 0.76 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2i50 h ALA 125 CO 0.02 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.55