#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 5.26 -0.42 -1.45 0.11 -1.26 -5.02 120.40 117.62 2i50 s VAL 6 Ca 0.00 -0.47 -0.23 0.00 -2.93 0.00 0.00 61.98 58.35 2i50 s VAL 6 Cb 0.00 -3.72 0.02 0.00 -1.53 0.00 0.00 36.38 31.15 2i50 s VAL 6 CO 0.00 -0.11 0.80 0.00 -3.33 0.00 0.00 175.10 172.46 2i50 n ARG 8 N 6.66 2.20 -0.61 0.00 5.12 -1.26 -4.49 116.66 124.27 2i50 n ARG 8 Ca 0.03 -2.82 0.06 0.00 -1.93 0.00 0.00 57.85 53.19 2i50 n ARG 8 Cb 0.48 -1.72 0.29 0.00 -1.16 0.00 0.00 32.46 30.35 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 1.31 0.35 -1.55 8.25 -1.26 -4.69 115.22 116.71 2i50 n HIS 9 Ca 0.21 -0.94 -0.18 0.00 -0.26 0.00 0.00 57.72 56.55 2i50 n HIS 9 Cb 0.82 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 31.44 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 2.23 0.21 0.00 1.59 1.08 -1.96 -1.35 117.51 119.30 2i50 h ILE 10 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2i50 h ILE 10 Cb 1.65 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2i50 h ILE 10 CO 0.34 0.00 -0.12 0.03 -0.69 0.00 0.00 178.15 177.71 2i50 h ARG 11 N -0.95 0.00 0.00 2.37 -0.00 -1.84 0.19 114.38 114.14 2i50 h ARG 11 Ca -0.08 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.33 2i50 h ARG 11 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.74 2i50 h ARG 11 CO 0.07 0.12 -0.35 0.87 0.00 0.00 0.00 179.97 180.67 2i50 h LYS 12 N 0.00 0.00 0.00 0.04 1.57 -1.67 -3.20 116.57 113.31 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 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2i50 h LYS 12 CO 0.02 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.66 2i50 n GLY 13 N 0.22 2.17 2.80 3.86 0.00 -0.59 -4.31 105.19 109.35 2i50 n GLY 13 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.82 1.08 -0.53 0.99 0.20 0.58 -0.75 118.68 119.43 2i50 s LEU 14 Ca 0.00 -0.48 0.04 0.00 0.69 0.00 0.00 54.13 54.38 2i50 s LEU 14 Cb 0.00 -0.64 0.14 0.00 -0.43 0.00 0.00 46.19 45.26 2i50 s LEU 14 CO 0.00 -0.22 0.30 -0.70 -0.29 0.00 0.00 176.35 175.44 2i50 s GLU 15 N 1.83 1.90 0.23 1.98 2.56 -0.93 -4.40 118.70 121.87 2i50 s GLU 15 Ca 0.02 -2.62 -0.06 0.00 0.00 0.00 0.00 54.97 52.31 2i50 s GLU 15 Cb -0.15 -3.10 0.39 0.00 2.00 0.00 0.00 34.13 33.27 2i50 s GLU 15 CO -0.07 -1.16 1.73 1.96 -0.56 0.00 0.00 175.26 177.17 2i50 h GLN 16 N 6.33 0.40 -0.39 4.30 4.20 -1.91 -0.44 115.11 127.60 2i50 h GLN 16 Ca -0.02 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2i50 h GLN 16 Cb 0.87 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2i50 h GLN 16 CO 0.65 0.27 -0.20 0.78 -0.67 0.00 0.00 178.83 179.65 2i50 h GLY 17 N 0.42 0.82 1.23 3.46 0.00 -1.97 -2.65 103.07 104.37 2i50 h GLY 17 Ca 0.37 -0.68 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 2i50 h GLY 17 CO -0.38 0.62 -0.50 -0.57 0.00 0.00 0.00 176.54 175.72 2i50 h ASN 18 N 0.67 0.90 -0.72 0.19 -1.24 -1.65 -3.21 115.58 110.52 2i50 h ASN 18 Ca 0.10 -0.46 0.11 0.00 0.71 0.00 0.00 56.30 56.75 2i50 h ASN 18 Cb 0.70 -0.26 -0.08 0.00 0.73 0.00 0.00 38.32 39.42 2i50 h ASN 18 CO 0.05 1.24 0.34 -0.07 -1.29 0.00 0.00 177.43 177.71 2i50 h LEU 19 N 0.64 0.41 -0.98 0.34 -0.00 -0.77 0.11 115.31 115.07 2i50 h LEU 19 Ca 0.03 0.07 0.03 0.00 -0.00 0.00 0.00 57.88 58.01 2i50 h LEU 19 Cb 1.09 0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 41.71 2i50 h LEU 19 CO 0.11 0.22 0.64 0.11 -0.00 0.00 0.00 178.44 179.52 2i50 h LYS 20 N 0.56 1.21 0.00 1.13 1.79 -1.51 0.22 116.57 119.98 2i50 h LYS 20 Ca 0.37 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.63 2i50 h LYS 20 Cb 0.44 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2i50 h LYS 20 CO -0.31 0.80 -0.77 0.87 -1.08 0.00 0.00 179.45 178.96 2i50 h LYS 21 N 1.25 0.00 0.18 3.15 1.57 -1.29 -3.00 116.57 118.43 2i50 h LYS 21 Ca 0.38 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.86 2i50 h LYS 21 Cb -0.02 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.30 2i50 h LYS 21 CO -0.12 0.50 -1.39 0.00 -0.57 0.00 0.00 179.45 177.88 2i50 h ALA 22 N 1.43 0.00 0.00 3.86 0.00 -0.27 -3.20 119.26 121.08 2i50 h ALA 22 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2i50 h ALA 22 Cb 1.47 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2i50 h ALA 22 CO 0.07 0.87 0.00 1.28 0.00 0.00 0.00 179.25 181.47 2i50 n LEU 23 N -3.61 0.02 -0.25 0.00 4.77 0.01 -1.50 117.00 116.45 2i50 n LEU 23 Ca -0.13 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.29 2i50 n LEU 23 Cb 1.06 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2i50 n LEU 23 CO 0.56 -0.06 1.08 0.58 -1.33 0.00 0.00 177.39 178.22 2i50 h VAL 24 N 0.00 1.22 -0.61 4.08 2.07 -1.51 -3.25 116.25 118.25 2i50 h VAL 24 Ca 0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2i50 h VAL 24 Cb 0.45 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2i50 h VAL 24 CO 0.00 0.25 0.00 0.59 0.02 0.00 0.00 177.57 178.43 2i50 n ASN 25 N -4.48 4.74 -4.89 0.57 3.02 -0.56 -4.98 115.26 108.68 2i50 n ASN 25 Ca 0.06 -2.51 -0.29 0.00 -0.03 0.00 0.00 54.58 51.81 2i50 n ASN 25 Cb 0.10 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.69 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 -1.96 4.86 -0.41 2.41 -7.23 -1.10 -5.04 120.40 111.93 2i50 s VAL 26 Ca 0.50 0.37 0.01 0.00 -1.81 0.00 0.00 61.98 61.06 2i50 s VAL 26 Cb 0.33 -3.81 0.11 0.00 0.56 0.00 0.00 36.38 33.57 2i50 s VAL 26 CO 0.23 -0.72 0.16 -1.83 -0.31 0.00 0.00 175.10 172.63 2i50 s GLU 27 N -4.37 1.80 0.13 4.82 1.03 -1.26 -5.07 118.70 115.78 2i50 s GLU 27 Ca 0.49 -2.03 -0.32 0.00 0.03 0.00 0.00 54.97 53.13 2i50 s GLU 27 Cb -0.10 -3.38 -0.12 0.00 -0.80 0.00 0.00 34.13 29.73 2i50 s GLU 27 CO 0.40 -1.03 1.77 0.91 -1.33 0.00 0.00 175.26 175.98 2i50 n TRP 28 N 4.11 2.56 -1.55 4.83 5.03 -1.26 -1.88 117.44 129.28 2i50 n TRP 28 Ca 0.03 -0.02 -0.14 0.00 3.03 0.00 0.00 57.50 60.40 2i50 n TRP 28 Cb 0.40 -2.68 -0.05 0.00 -1.03 0.00 0.00 31.31 27.95 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 5.00 -4.55 -3.88 -0.99 4.13 -1.26 -4.96 115.26 108.75 2i50 n ASN 29 Ca 0.18 0.27 -0.30 0.00 1.68 0.00 0.00 54.58 56.41 2i50 n ASN 29 Cb 0.35 -3.33 -0.16 0.00 -1.54 0.00 0.00 39.78 35.10 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 -2.53 1.33 -0.45 2.41 1.01 -0.79 -4.99 121.20 117.19 2i50 s ILE 30 Ca 0.00 -1.26 -0.29 0.00 0.00 0.00 0.00 60.65 59.10 2i50 s ILE 30 Cb 0.00 -1.74 -0.09 0.00 0.01 0.00 0.00 42.46 40.64 2i50 s ILE 30 CO 0.00 -0.27 2.36 0.00 0.00 0.00 0.00 174.94 177.03 2i50 h GLN 32 N 16.16 0.94 0.00 0.00 4.20 -1.53 0.14 115.11 135.01 2i50 h GLN 32 Ca -0.27 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2i50 h GLN 32 Cb 1.28 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.85 2i50 h GLN 32 CO 1.11 0.62 0.00 -3.47 -0.67 0.00 0.00 178.83 176.42 2i50 n ASP 33 N -4.64 0.69 0.08 1.46 2.03 -1.20 -0.51 116.55 114.46 2i50 n ASP 33 Ca 0.19 0.69 -0.04 0.00 0.52 0.00 0.00 54.79 56.16 2i50 n ASP 33 Cb 0.38 -0.83 -0.07 0.00 -0.72 0.00 0.00 41.12 39.87 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 0.00 0.00 -0.00 0.00 1.79 -0.91 -3.30 116.57 114.16 2i50 h LYS 35 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2i50 h LYS 35 Cb 1.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 2i50 h LYS 35 CO 0.10 0.58 0.00 0.25 -1.08 0.00 0.00 179.45 179.30 2i50 n THR 36 N -4.65 0.00 -0.18 -0.16 -2.24 0.33 -3.98 114.28 103.40 2i50 n THR 36 Ca -0.09 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 2i50 n THR 36 Cb 0.32 -0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.25 2i50 n THR 36 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2i50 h ASP 37 N 0.07 0.21 0.00 3.42 3.58 -1.55 -3.48 116.42 118.68 2i50 h ASP 37 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2i50 h ASP 37 Cb 0.01 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2i50 h ASP 37 CO 0.00 0.14 0.00 0.59 -2.88 0.00 0.00 179.24 177.09 2i50 n ASN 38 N -4.99 0.00 0.00 2.28 3.02 -1.26 -4.83 115.26 109.49 2i50 n ASN 38 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2i50 n ASN 38 Cb 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2i50 n ASN 38 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2i50 n LYS 39 N 2.06 0.00 -2.71 3.52 5.02 -1.26 -4.78 118.16 120.02 2i50 n LYS 39 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2i50 n LYS 39 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 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 4.00 0.12 -0.18 1.01 -1.26 -4.97 120.40 119.11 2i50 s VAL 40 Ca 0.00 1.90 -0.16 0.00 0.00 0.00 0.00 61.98 63.72 2i50 s VAL 40 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2i50 s VAL 40 CO 0.00 0.37 1.62 0.11 0.00 0.00 0.00 175.10 177.20 2i50 h LYS 41 N 3.79 0.56 -6.20 2.72 1.57 -2.03 -3.45 116.57 113.52 2i50 h LYS 41 Ca -0.46 -0.13 -0.59 0.00 -1.87 0.00 0.00 60.65 57.60 2i50 h LYS 41 Cb 1.20 -0.08 -0.16 0.00 0.08 0.00 0.00 32.23 33.27 2i50 h LYS 41 CO 0.67 0.60 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.86 2i50 s ASP 42 N -5.92 3.27 -0.01 0.86 1.01 -1.26 -5.07 116.67 109.55 2i50 s ASP 42 Ca -0.13 -0.95 -0.05 0.00 0.71 0.00 0.00 52.55 52.12 2i50 s ASP 42 Cb 0.09 -0.24 -0.02 0.00 1.01 0.00 0.00 42.92 43.76 2i50 s ASP 42 CO 0.76 0.03 -0.10 0.29 0.21 0.00 0.00 175.17 176.35 2i50 n LYS 43 N -0.18 0.16 -0.00 8.23 4.01 -1.26 -4.97 118.16 124.13 2i50 n LYS 43 Ca -0.09 0.06 -0.00 0.00 -0.51 0.00 0.00 58.31 57.77 2i50 n LYS 43 Cb 0.58 -0.69 -0.01 0.00 -0.51 0.00 0.00 35.03 34.41 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 -3.50 1.99 -2.08 7.82 0.00 -1.26 -5.03 120.51 118.45 2i50 n ALA 44 Ca -0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 2i50 n ALA 44 Cb 0.15 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.90 -1.24 0.00 0.00 -0.58 -1.26 -3.93 120.64 111.72 2i50 n GLU 45 Ca -0.01 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 2i50 n GLU 45 Cb 0.39 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 26.07 2i50 n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2i50 n GLU 46 N -2.54 0.00 0.29 3.49 0.28 -1.26 -4.30 120.64 116.60 2i50 n GLU 46 Ca -0.18 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.68 2i50 n GLU 46 Cb 0.61 -0.26 -0.07 0.00 1.43 0.00 0.00 31.44 33.16 2i50 n GLU 46 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2i50 h GLU 47 N 0.00 -0.75 -1.73 3.44 4.81 -2.05 -3.25 114.58 115.06 2i50 h GLU 47 Ca 0.00 0.05 -0.71 0.00 -0.13 0.00 0.00 59.36 58.57 2i50 h GLU 47 Cb 0.00 0.17 -0.31 0.00 0.63 0.00 0.00 28.75 29.24 2i50 h GLU 47 CO 0.00 -0.45 0.59 2.41 -0.73 0.00 0.00 179.01 180.83 2i50 n THR 48 N -5.31 3.30 -2.55 0.32 -1.04 -1.26 -4.91 114.28 102.83 2i50 n THR 48 Ca -0.11 -4.27 -0.41 0.00 -2.04 0.00 0.00 64.05 57.23 2i50 n THR 48 Cb 0.33 -1.23 -0.03 0.00 -1.82 0.00 0.00 70.33 67.58 2i50 n THR 48 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2i50 s GLU 49 N -3.91 3.55 0.74 -2.82 -1.05 -1.23 -4.89 118.70 109.08 2i50 s GLU 49 Ca 0.53 -1.06 -0.11 0.00 -0.15 0.00 0.00 54.97 54.17 2i50 s GLU 49 Cb 0.44 -5.30 0.04 0.00 -0.44 0.00 0.00 34.13 28.87 2i50 s GLU 49 CO -0.30 -2.23 1.09 -1.21 0.95 0.00 0.00 175.26 173.56 2i50 s GLU 50 N 5.05 2.49 -0.48 -4.83 0.41 -1.26 -5.01 118.70 115.07 2i50 s GLU 50 Ca 0.46 1.16 0.04 0.00 -0.41 0.00 0.00 54.97 56.22 2i50 s GLU 50 Cb -0.01 -1.93 0.13 0.00 -1.78 0.00 0.00 34.13 30.54 2i50 s GLU 50 CO -0.09 -1.46 0.22 -1.59 -0.49 0.00 0.00 175.26 171.85 2i50 s LYS 51 N -4.79 1.77 0.89 1.61 0.00 -1.26 -5.09 119.74 112.87 2i50 s LYS 51 Ca 0.61 -2.38 -0.13 0.00 0.00 0.00 0.00 55.97 54.07 2i50 s LYS 51 Cb -0.17 -3.13 0.13 0.00 0.00 0.00 0.00 37.83 34.66 2i50 s LYS 51 CO 0.53 -1.09 1.16 -1.25 0.00 0.00 0.00 175.35 174.70 2i50 s PRO 52 N 0.03 1.27 0.17 1.78 0.04 -1.26 -4.97 135.00 132.06 2i50 s PRO 52 Ca 0.16 0.21 -0.32 0.00 0.04 0.00 0.00 61.00 61.09 2i50 s PRO 52 Cb -0.24 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 2i50 s PRO 52 CO -0.02 -2.09 1.56 -1.54 0.04 0.00 0.00 177.00 174.96 2i50 s SER 53 N -4.20 6.59 -0.39 6.66 1.04 -1.26 -4.87 113.70 117.27 2i50 s SER 53 Ca 0.64 2.62 -0.08 0.00 0.48 0.00 0.00 55.95 59.61 2i50 s SER 53 Cb -0.13 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.46 2i50 s SER 53 CO 0.52 -0.82 0.20 -0.69 0.98 0.00 0.00 173.24 173.44 2i50 s VAL 54 N 1.10 4.04 -0.22 5.02 1.01 -1.26 0.32 120.40 130.41 2i50 s VAL 54 Ca 0.70 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2i50 s VAL 54 Cb -0.44 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2i50 s VAL 54 CO 0.32 -0.40 0.27 0.26 0.00 0.00 0.00 175.10 175.54 2i50 s TRP 55 N 1.40 3.35 -0.24 5.22 0.52 0.13 -0.02 118.94 129.30 2i50 s TRP 55 Ca 0.02 0.42 -0.12 0.00 0.02 0.00 0.00 56.10 56.43 2i50 s TRP 55 Cb -0.22 -2.38 -0.05 0.00 -1.15 0.00 0.00 33.47 29.67 2i50 s TRP 55 CO 0.02 0.04 0.24 -1.17 0.02 0.00 0.00 176.95 176.10 2i50 s LEU 56 N 1.14 4.11 -0.22 2.99 2.96 0.83 -0.39 118.68 130.10 2i50 s LEU 56 Ca 0.13 0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 2i50 s LEU 56 Cb -0.14 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2i50 s LEU 56 CO 0.06 -0.00 1.89 0.00 -1.32 0.00 0.00 176.35 176.98 2i50 n LEU 58 N 9.83 0.00 -0.06 0.00 4.77 0.21 0.27 117.00 132.01 2i50 n LEU 58 Ca 0.23 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.39 2i50 n LEU 58 Cb 0.45 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.04 2i50 n LEU 58 CO 0.67 -0.17 -0.37 0.50 -1.33 0.00 0.00 177.39 176.69 2i50 h LYS 59 N 0.00 0.08 0.00 3.23 1.63 -1.04 -2.48 116.57 117.99 2i50 h LYS 59 Ca 0.00 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2i50 h LYS 59 Cb 0.21 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2i50 h LYS 59 CO 0.00 1.07 0.00 0.00 -3.45 0.00 0.00 179.45 177.07 2i50 n GLY 61 N -0.15 0.54 3.68 0.00 0.00 0.14 -4.75 105.19 104.66 2i50 n GLY 61 Ca 0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.46 3.44 -0.12 1.61 5.04 -1.25 -4.78 115.29 116.77 2i50 s HIS 62 Ca 0.00 0.93 -0.18 0.00 -1.54 0.00 0.00 55.06 54.27 2i50 s HIS 62 Cb 0.00 -2.71 -0.04 0.00 0.04 0.00 0.00 32.58 29.87 2i50 s HIS 62 CO 0.00 -0.03 0.46 -0.65 -2.34 0.00 0.00 174.74 172.18 2i50 s GLN 63 N 1.36 4.33 0.03 2.88 1.11 -1.26 -0.22 119.66 127.90 2i50 s GLN 63 Ca 0.28 0.42 0.02 0.00 0.01 0.00 0.00 55.36 56.09 2i50 s GLN 63 Cb -0.16 -3.44 -0.02 0.00 -1.01 0.00 0.00 33.01 28.39 2i50 s GLN 63 CO 0.11 0.16 -0.06 0.20 0.01 0.00 0.00 175.29 175.71 2i50 s GLY 64 N 0.62 0.38 0.06 3.09 0.00 0.47 -1.42 107.32 110.53 2i50 s GLY 64 Ca 0.25 -0.60 -0.26 0.00 0.00 0.00 0.00 44.72 44.12 2i50 s GLY 64 CO 0.10 -0.63 0.79 0.00 0.00 0.00 0.00 173.10 173.35 2i50 n GLY 66 N 2.32 1.24 0.23 0.00 0.00 0.15 -1.46 105.19 107.66 2i50 n GLY 66 Ca -0.02 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.74 2i50 n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i50 h ARG 67 N 0.00 0.00 -0.42 1.61 3.08 -1.95 -2.66 114.38 114.04 2i50 h ARG 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2i50 h ARG 67 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2i50 h ARG 67 CO 0.00 0.22 0.00 0.09 -1.07 0.00 0.00 179.97 179.21 2i50 n ASN 68 N -3.94 2.00 -4.77 7.04 4.13 -1.26 -4.87 115.26 113.58 2i50 n ASN 68 Ca -0.02 -2.08 -0.22 0.00 1.68 0.00 0.00 54.58 53.94 2i50 n ASN 68 Cb 0.30 -0.29 -0.05 0.00 -1.54 0.00 0.00 39.78 38.20 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 -0.87 4.95 0.41 6.41 1.04 -1.00 -4.61 113.70 120.02 2i50 s SER 69 Ca 0.22 -0.61 0.22 0.00 0.48 0.00 0.00 55.95 56.27 2i50 s SER 69 Cb 0.13 -0.90 0.61 0.00 0.10 0.00 0.00 66.02 65.96 2i50 s SER 69 CO 0.13 -0.25 1.69 1.56 0.98 0.00 0.00 173.24 177.36 2i50 h GLN 70 N 1.49 0.00 0.00 4.02 1.08 -1.89 -3.34 115.11 116.47 2i50 h GLN 70 Ca -0.45 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.46 2i50 h GLN 70 Cb 1.25 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.63 2i50 h GLN 70 CO 0.61 0.23 -2.12 0.39 -0.95 0.00 0.00 178.83 176.98 2i50 n GLU 71 N -3.25 0.99 -3.72 1.46 -0.58 -1.26 -5.02 120.64 109.26 2i50 n GLU 71 Ca 0.02 0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.58 2i50 n GLU 71 Cb 0.52 -1.41 0.03 0.00 -0.57 0.00 0.00 31.44 30.01 2i50 n GLU 71 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2i50 n GLN 72 N -2.82 -5.01 0.26 3.49 6.02 -1.26 -4.81 117.38 113.25 2i50 n GLN 72 Ca -0.31 0.62 0.09 0.00 -0.01 0.00 0.00 57.00 57.40 2i50 n GLN 72 Cb 0.96 -5.22 0.69 0.00 1.02 0.00 0.00 30.24 27.69 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 -1.90 0.00 -0.51 1.08 3.86 -1.68 -0.15 115.15 115.85 2i50 h HIS 73 Ca -0.61 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.53 2i50 h HIS 73 Cb 1.36 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.81 2i50 h HIS 73 CO 0.48 0.00 0.03 0.00 0.86 0.00 0.00 177.93 179.30 2i50 h ALA 74 N 1.99 1.10 -0.04 2.45 0.00 -1.49 0.12 119.26 123.40 2i50 h ALA 74 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2i50 h ALA 74 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2i50 h ALA 74 CO -0.00 0.58 -0.04 -0.07 0.00 0.00 0.00 179.25 179.72 2i50 h LEU 75 N 0.79 0.10 -1.38 0.00 -0.00 -1.28 -1.45 115.31 112.09 2i50 h LEU 75 Ca 0.16 -0.48 0.14 0.00 -0.00 0.00 0.00 57.88 57.70 2i50 h LEU 75 Cb 0.42 -0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 40.99 2i50 h LEU 75 CO 0.02 0.56 0.55 0.11 -0.00 0.00 0.00 178.44 179.67 2i50 h LYS 76 N -0.36 0.59 -0.13 1.13 1.57 -1.11 0.63 116.57 118.89 2i50 h LYS 76 Ca 0.01 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 2i50 h LYS 76 Cb 0.53 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2i50 h LYS 76 CO 0.01 0.39 -0.48 1.25 -0.57 0.00 0.00 179.45 180.05 2i50 h HIS 77 N 0.61 0.40 -0.00 -1.35 2.76 -0.32 0.19 115.15 117.44 2i50 h HIS 77 Ca 0.42 -0.13 -0.18 0.00 -2.20 0.00 0.00 60.37 58.28 2i50 h HIS 77 Cb 0.74 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 2i50 h HIS 77 CO -0.00 0.75 -0.83 -0.92 -1.30 0.00 0.00 177.93 175.63 2i50 h TYR 78 N 0.27 0.20 -0.00 5.26 3.20 -0.21 -3.05 116.97 122.64 2i50 h TYR 78 Ca 0.01 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2i50 h TYR 78 Cb 0.95 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2i50 h TYR 78 CO 0.02 0.90 -0.03 1.28 -1.64 0.00 0.00 178.16 178.70 2i50 n LEU 79 N -3.65 0.10 -4.69 2.82 4.77 0.11 -4.76 117.00 111.69 2i50 n LEU 79 Ca -0.03 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 2i50 n LEU 79 Cb 0.78 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2i50 n LEU 79 CO 0.46 0.02 1.33 -0.89 -1.33 0.00 0.00 177.39 176.99 2i50 s THR 80 N -2.56 3.01 -0.08 -5.08 2.01 0.59 -4.92 115.64 108.61 2i50 s THR 80 Ca 0.28 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 2i50 s THR 80 Cb 0.20 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2i50 s THR 80 CO 0.47 -0.00 1.51 -2.16 -0.69 0.00 0.00 174.62 173.74 2i50 s PRO 81 N 2.63 4.21 0.17 4.92 0.04 -1.26 -4.96 135.00 140.76 2i50 s PRO 81 Ca 0.74 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 63.61 2i50 s PRO 81 Cb -0.40 -3.86 0.04 0.00 0.04 0.00 0.00 34.50 30.32 2i50 s PRO 81 CO 0.32 -0.77 0.50 -0.98 0.04 0.00 0.00 177.00 176.12 2i50 s ARG 82 N 3.63 1.29 -0.00 4.56 1.70 -1.26 -5.05 118.95 123.81 2i50 s ARG 82 Ca 0.67 -0.77 -0.06 0.00 -0.47 0.00 0.00 55.73 55.10 2i50 s ARG 82 Cb -0.30 0.52 -0.29 0.00 -0.57 0.00 0.00 34.95 34.31 2i50 s ARG 82 CO 0.25 -0.54 0.84 0.77 -1.08 0.00 0.00 175.30 175.54 2i50 h SER 83 N 2.21 0.50 -4.10 -2.89 0.02 -2.04 -3.45 113.55 103.80 2i50 h SER 83 Ca -0.31 -0.67 -0.47 0.00 -0.84 0.00 0.00 61.79 59.50 2i50 h SER 83 Cb 1.27 -0.16 0.03 0.00 0.14 0.00 0.00 62.40 63.67 2i50 h SER 83 CO 0.40 1.56 0.38 -1.61 -1.14 0.00 0.00 176.83 176.41 2i50 s GLU 84 N -2.61 3.76 -0.04 3.45 0.41 -1.26 -5.00 118.70 117.41 2i50 s GLU 84 Ca -0.10 1.29 -0.24 0.00 -0.41 0.00 0.00 54.97 55.51 2i50 s GLU 84 Cb 0.06 -2.09 -0.19 0.00 -1.78 0.00 0.00 34.13 30.13 2i50 s GLU 84 CO 0.87 -0.45 1.05 -1.00 -0.49 0.00 0.00 175.26 175.23 2i50 h PRO 85 N 1.37 -0.11 -5.48 0.39 0.13 -1.88 -3.47 132.00 122.94 2i50 h PRO 85 Ca -0.49 0.01 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 2i50 h PRO 85 Cb 1.21 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2i50 h PRO 85 CO 0.59 0.39 -0.65 0.72 -0.23 0.00 0.00 178.00 178.82 2i50 n HIS 86 N -4.88 -2.13 0.20 1.56 8.25 -1.26 -4.86 115.22 112.10 2i50 n HIS 86 Ca -0.08 0.68 0.11 0.00 -0.26 0.00 0.00 57.72 58.17 2i50 n HIS 86 Cb 0.28 -3.96 0.27 0.00 1.12 0.00 0.00 29.99 27.70 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 -1.17 2.60 0.00 0.00 1.43 -1.26 -0.97 118.68 119.32 2i50 s LEU 88 Ca 0.40 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 2i50 s LEU 88 Cb 0.22 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 2i50 s LEU 88 CO 0.29 -0.01 -0.07 0.68 0.23 0.00 0.00 176.35 177.47 2i50 s VAL 89 N 1.40 0.52 0.07 -1.59 -7.23 -0.67 0.65 120.40 113.56 2i50 s VAL 89 Ca 0.05 -0.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.88 2i50 s VAL 89 Cb -0.14 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 2i50 s VAL 89 CO -0.07 0.08 -0.02 -1.48 -0.31 0.00 0.00 175.10 173.30 2i50 s LEU 90 N -0.34 3.40 -0.06 1.32 0.05 0.72 0.02 118.68 123.79 2i50 s LEU 90 Ca 0.01 -0.17 -0.22 0.00 0.05 0.00 0.00 54.13 53.80 2i50 s LEU 90 Cb -0.03 -2.09 -0.04 0.00 -2.05 0.00 0.00 46.19 41.97 2i50 s LEU 90 CO -0.00 0.20 0.63 -0.94 -0.55 0.00 0.00 176.35 175.70 2i50 s SER 91 N -2.09 6.93 -0.04 1.48 1.04 0.11 -0.12 113.70 121.01 2i50 s SER 91 Ca 0.23 1.12 0.04 0.00 0.48 0.00 0.00 55.95 57.82 2i50 s SER 91 Cb -0.12 -2.38 0.18 0.00 0.10 0.00 0.00 66.02 63.81 2i50 s SER 91 CO 0.16 -0.04 0.88 0.18 0.98 0.00 0.00 173.24 175.40 2i50 n LEU 92 N 3.48 1.82 0.02 2.42 4.77 0.97 -1.97 117.00 128.51 2i50 n LEU 92 Ca -0.04 -0.92 -0.01 0.00 -0.03 0.00 0.00 56.01 55.01 2i50 n LEU 92 Cb 0.51 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2i50 n LEU 92 CO 0.45 0.31 -0.10 0.47 -1.33 0.00 0.00 177.39 177.20 2i50 n ASP 93 N 0.11 0.96 -0.57 -1.43 9.92 -1.26 -4.81 116.55 119.48 2i50 n ASP 93 Ca 0.06 0.13 0.08 0.00 -0.53 0.00 0.00 54.79 54.54 2i50 n ASP 93 Cb 0.39 -0.34 0.05 0.00 -0.64 0.00 0.00 41.12 40.58 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 -3.39 2.13 -3.44 -2.24 2.85 -1.26 -4.97 115.26 104.95 2i50 n ASN 94 Ca -0.02 -1.57 -0.24 0.00 -0.11 0.00 0.00 54.58 52.64 2i50 n ASN 94 Cb 0.08 0.14 0.06 0.00 1.24 0.00 0.00 39.78 41.30 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 0.61 -2.60 -3.03 1.20 7.02 -0.83 -5.01 117.44 114.80 2i50 n TRP 95 Ca 0.09 0.87 -0.19 0.00 -1.02 0.00 0.00 57.50 57.25 2i50 n TRP 95 Cb 0.38 -4.84 0.04 0.00 -2.42 0.00 0.00 31.31 24.48 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 -3.14 5.31 0.05 -0.99 0.01 -1.25 -4.79 113.70 108.90 2i50 s SER 96 Ca 0.51 -0.69 0.08 0.00 1.31 0.00 0.00 55.95 57.17 2i50 s SER 96 Cb -0.23 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 2i50 s SER 96 CO 0.63 -1.12 -0.23 -0.69 0.41 0.00 0.00 173.24 172.24 2i50 s VAL 97 N -2.55 1.85 -0.04 3.43 1.01 -1.20 0.08 120.40 122.99 2i50 s VAL 97 Ca 0.59 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2i50 s VAL 97 Cb -0.07 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 2i50 s VAL 97 CO 0.37 0.23 -0.15 0.86 0.00 0.00 0.00 175.10 176.40 2i50 s TRP 98 N -0.84 1.50 -0.21 5.22 -0.11 0.10 -0.11 118.94 124.49 2i50 s TRP 98 Ca 0.09 -0.40 0.01 0.00 1.22 0.00 0.00 56.10 57.02 2i50 s TRP 98 Cb -0.09 -1.02 0.03 0.00 -1.50 0.00 0.00 33.47 30.89 2i50 s TRP 98 CO 0.02 -0.13 -0.16 0.00 -4.62 0.00 0.00 176.95 172.06 2i50 h TYR 100 N 7.89 0.00 0.00 0.00 0.05 -1.33 0.56 116.97 124.14 2i50 h TYR 100 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.41 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 0.53 0.50 -0.46 1.55 -1.05 0.00 0.00 178.16 179.23 2i50 n VAL 101 N -3.67 0.38 -0.05 -2.88 3.14 -1.26 -2.81 118.33 111.18 2i50 n VAL 101 Ca -0.01 -0.26 -0.10 0.00 -2.96 0.00 0.00 64.34 61.02 2i50 n VAL 101 Cb 0.57 -0.22 -0.15 0.00 -1.06 0.00 0.00 33.84 32.98 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 -2.96 -5.70 -2.70 0.00 2.03 0.19 -4.95 116.55 102.46 2i50 n ASP 103 Ca -0.24 -0.80 -0.07 0.00 0.52 0.00 0.00 54.79 54.20 2i50 n ASP 103 Cb 1.09 -4.63 0.02 0.00 -0.72 0.00 0.00 41.12 36.88 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 -3.06 -1.94 -4.71 1.67 6.94 -1.13 -5.03 115.26 108.00 2i50 n ASN 104 Ca -0.10 -2.28 -0.38 0.00 -0.02 0.00 0.00 54.58 51.79 2i50 n ASN 104 Cb 0.62 3.22 -0.06 0.00 -2.36 0.00 0.00 39.78 41.20 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 -2.07 4.32 0.15 -3.83 2.12 -1.26 -1.67 118.70 116.46 2i50 s GLU 105 Ca 0.16 0.47 0.03 0.00 0.36 0.00 0.00 54.97 55.98 2i50 s GLU 105 Cb -0.04 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2i50 s GLU 105 CO 0.09 0.11 0.27 0.08 -0.54 0.00 0.00 175.26 175.27 2i50 s VAL 106 N 0.79 5.24 0.08 3.70 1.01 0.84 -4.95 120.40 127.10 2i50 s VAL 106 Ca 0.26 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2i50 s VAL 106 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2i50 s VAL 106 CO 0.11 -0.10 -0.09 0.00 0.00 0.00 0.00 175.10 175.01 2i50 s GLN 107 N -3.25 0.77 0.02 2.72 0.00 -1.26 -3.23 119.66 115.43 2i50 s GLN 107 Ca 0.34 -1.08 0.03 0.00 -0.00 0.00 0.00 55.36 54.64 2i50 s GLN 107 Cb -0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 33.01 32.45 2i50 s GLN 107 CO 0.28 0.06 -0.08 1.52 0.00 0.00 0.00 175.29 177.07 2i50 s TYR 108 N -2.35 0.73 0.00 9.60 -0.85 -1.26 -4.99 117.35 118.24 2i50 s TYR 108 Ca 0.03 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.25 2i50 s TYR 108 Cb -0.03 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 41.86 2i50 s TYR 108 CO -0.01 -0.03 0.00 0.00 -1.52 0.00 0.00 175.55 173.99 2i50 n SER 110 N 0.00 -5.37 -2.16 0.00 7.64 -1.26 -3.40 113.62 109.07 2i50 n SER 110 Ca 0.00 0.09 -0.03 0.00 1.01 0.00 0.00 58.87 59.95 2i50 n SER 110 Cb 0.00 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 2i50 n SER 110 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2i50 n SER 111 N -1.44 -4.77 -4.33 6.43 2.88 -1.26 -5.08 113.62 106.05 2i50 n SER 111 Ca -0.21 0.17 -0.29 0.00 -1.33 0.00 0.00 58.87 57.21 2i50 n SER 111 Cb 0.66 -3.05 -0.14 0.00 -0.75 0.00 0.00 64.21 60.93 2i50 n SER 111 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2i50 s ASN 112 N -1.97 3.01 0.41 -3.46 3.84 -1.22 -5.03 114.94 110.53 2i50 s ASN 112 Ca 0.08 -0.61 0.15 0.00 0.21 0.00 0.00 52.86 52.69 2i50 s ASN 112 Cb -0.02 -0.25 1.03 0.00 -0.55 0.00 0.00 41.25 41.46 2i50 s ASN 112 CO 0.36 0.21 1.89 -0.61 -2.79 0.00 0.00 177.10 176.16 2i50 h GLN 113 N 4.58 0.44 -0.51 0.43 4.15 -1.98 0.19 115.11 122.41 2i50 h GLN 113 Ca -0.47 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 2i50 h GLN 113 Cb 1.15 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 2i50 h GLN 113 CO 0.42 0.29 0.15 1.25 -1.93 0.00 0.00 178.83 179.02 2i50 h LEU 114 N 0.45 0.74 -0.34 -2.39 5.85 -1.95 0.19 115.31 117.85 2i50 h LEU 114 Ca 0.42 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 2i50 h LEU 114 Cb 0.95 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2i50 h LEU 114 CO -0.15 0.75 -0.28 1.23 -0.34 0.00 0.00 178.44 179.66 2i50 h GLY 115 N 0.69 0.86 0.68 3.75 0.00 -1.37 -0.72 103.07 106.95 2i50 h GLY 115 Ca 0.16 -0.85 0.06 0.00 0.00 0.00 0.00 47.33 46.70 2i50 h GLY 115 CO -0.00 0.77 0.35 1.46 0.00 0.00 0.00 176.54 179.11 2i50 h GLN 116 N 0.57 0.63 -0.02 4.80 4.20 -0.77 0.14 115.11 124.67 2i50 h GLN 116 Ca 0.06 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2i50 h GLN 116 Cb 0.85 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2i50 h GLN 116 CO 0.07 0.42 -0.20 0.28 -0.67 0.00 0.00 178.83 178.73 2i50 h VAL 117 N 0.65 1.52 -0.78 -0.54 2.07 -0.83 -0.77 116.25 117.57 2i50 h VAL 117 Ca 0.29 -1.80 0.10 0.00 0.82 0.00 0.00 66.70 66.10 2i50 h VAL 117 Cb 0.18 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 2i50 h VAL 117 CO -0.18 0.49 0.51 0.58 0.02 0.00 0.00 177.57 178.99 2i50 h VAL 118 N -0.46 0.95 -0.36 2.57 2.07 -0.96 0.48 116.25 120.53 2i50 h VAL 118 Ca -0.02 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2i50 h VAL 118 Cb 0.91 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2i50 h VAL 118 CO 0.04 0.13 0.10 -0.78 0.02 0.00 0.00 177.57 177.08 2i50 h ASP 119 N 0.71 0.54 0.05 0.57 3.58 -0.59 0.26 116.42 121.54 2i50 h ASP 119 Ca 0.36 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 2i50 h ASP 119 Cb 0.45 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2i50 h ASP 119 CO -0.14 0.62 -0.03 0.22 -2.88 0.00 0.00 179.24 177.04 2i50 h TYR 120 N 0.44 -0.07 -0.05 0.28 3.20 0.44 -1.27 116.97 119.93 2i50 h TYR 120 Ca 0.12 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2i50 h TYR 120 Cb 0.28 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2i50 h TYR 120 CO 0.01 0.08 -0.26 0.28 -1.64 0.00 0.00 178.16 176.63 2i50 h VAL 121 N -0.20 1.21 -0.26 1.81 2.07 0.17 0.94 116.25 122.00 2i50 h VAL 121 Ca -0.01 -0.99 -0.17 0.00 0.82 0.00 0.00 66.70 66.36 2i50 h VAL 121 Cb 0.17 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2i50 h VAL 121 CO 0.01 0.29 -0.52 -0.09 0.02 0.00 0.00 177.57 177.28 2i50 h ARG 122 N 0.08 0.73 0.00 1.57 2.43 -0.20 0.13 114.38 119.12 2i50 h ARG 122 Ca 0.01 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2i50 h ARG 122 Cb 0.50 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2i50 h ARG 122 CO 0.04 1.07 0.00 0.87 -1.51 0.00 0.00 179.97 180.44 2i50 h LYS 123 N 0.57 0.00 0.00 0.20 1.57 0.30 0.18 116.57 119.39 2i50 h LYS 123 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2i50 h LYS 123 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2i50 h LYS 123 CO 0.11 0.00 -0.07 1.96 -0.57 0.00 0.00 179.45 180.88 2i50 h GLN 124 N 0.00 0.00 -0.40 3.15 7.50 -0.58 -3.37 115.11 121.41 2i50 h GLN 124 Ca 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.07 2i50 h GLN 124 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.09 2i50 h GLN 124 CO 0.00 0.99 -0.08 0.00 -1.50 0.00 0.00 178.83 178.24 2i50 h ALA 125 N -0.04 0.55 0.00 3.87 0.00 -0.50 -3.51 119.26 119.63 2i50 h ALA 125 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2i50 h ALA 125 Cb 1.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2i50 h ALA 125 CO -0.01 0.40 0.00 0.43 0.00 0.00 0.00 179.25 180.07