#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 -0.22 0.52 0.11 -1.26 -5.13 120.40 114.43 2i50 s VAL 6 Ca 0.00 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 2i50 s VAL 6 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2i50 s VAL 6 CO 0.00 0.00 0.41 0.00 -3.33 0.00 0.00 175.10 172.18 2i50 n ARG 8 N 4.68 2.90 -0.49 0.00 5.12 -1.26 -4.45 116.66 123.17 2i50 n ARG 8 Ca -0.08 -2.22 0.08 0.00 -1.93 0.00 0.00 57.85 53.70 2i50 n ARG 8 Cb 0.51 -1.38 0.29 0.00 -1.16 0.00 0.00 32.46 30.71 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 0.43 1.15 0.20 -1.55 8.25 -1.26 -4.66 115.22 117.78 2i50 n HIS 9 Ca 0.14 -0.69 -0.15 0.00 -0.26 0.00 0.00 57.72 56.77 2i50 n HIS 9 Cb 0.52 -0.25 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 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 2.89 0.68 0.00 1.59 2.04 -1.96 0.07 117.51 122.82 2i50 h ILE 10 Ca 0.00 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2i50 h ILE 10 Cb 1.35 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2i50 h ILE 10 CO 0.21 0.00 -0.13 0.03 0.00 0.00 0.00 178.15 178.26 2i50 h ARG 11 N -0.44 0.00 0.00 2.37 3.08 -1.83 0.58 114.38 118.14 2i50 h ARG 11 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2i50 h ARG 11 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2i50 h ARG 11 CO 0.07 0.13 -0.36 0.87 -1.07 0.00 0.00 179.97 179.62 2i50 h LYS 12 N 0.00 0.00 0.00 0.04 1.57 -1.71 -3.35 116.57 113.12 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 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2i50 h LYS 12 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 2i50 n GLY 13 N 1.16 -0.84 2.78 3.86 0.00 -0.05 -4.15 105.19 107.96 2i50 n GLY 13 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.14 0.94 -0.51 0.99 0.20 0.19 -0.69 118.68 119.67 2i50 s LEU 14 Ca 0.00 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.45 2i50 s LEU 14 Cb 0.00 -0.58 0.14 0.00 -0.43 0.00 0.00 46.19 45.32 2i50 s LEU 14 CO 0.00 -0.22 0.28 -0.70 -0.29 0.00 0.00 176.35 175.42 2i50 s GLU 15 N 1.87 1.77 0.20 1.98 2.56 -0.87 -4.42 118.70 121.80 2i50 s GLU 15 Ca 0.03 -2.48 -0.10 0.00 0.00 0.00 0.00 54.97 52.41 2i50 s GLU 15 Cb -0.14 -2.94 0.25 0.00 2.00 0.00 0.00 34.13 33.30 2i50 s GLU 15 CO -0.07 -1.16 1.76 1.96 -0.56 0.00 0.00 175.26 177.19 2i50 h GLN 16 N 6.42 0.43 -0.05 4.30 4.20 -1.89 -1.54 115.11 126.99 2i50 h GLN 16 Ca -0.02 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2i50 h GLN 16 Cb 0.89 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2i50 h GLN 16 CO 0.61 0.28 -0.43 0.78 -0.67 0.00 0.00 178.83 179.40 2i50 h GLY 17 N 0.44 0.12 1.17 3.46 0.00 -1.97 -2.34 103.07 103.95 2i50 h GLY 17 Ca 0.29 -0.11 -0.20 0.00 0.00 0.00 0.00 47.33 47.31 2i50 h GLY 17 CO -0.27 0.10 -0.64 -0.57 0.00 0.00 0.00 176.54 175.16 2i50 h ASN 18 N 0.09 0.97 -0.33 0.19 -1.24 -1.74 -3.31 115.58 110.21 2i50 h ASN 18 Ca 0.01 -0.57 0.07 0.00 0.71 0.00 0.00 56.30 56.52 2i50 h ASN 18 Cb 0.81 -0.28 -0.07 0.00 0.73 0.00 0.00 38.32 39.51 2i50 h ASN 18 CO 0.06 1.37 -0.12 -0.07 -1.29 0.00 0.00 177.43 177.37 2i50 h LEU 19 N 0.62 -0.43 -0.87 0.34 -0.00 -0.74 -1.98 115.31 112.26 2i50 h LEU 19 Ca -0.01 0.11 0.14 0.00 -0.00 0.00 0.00 57.88 58.13 2i50 h LEU 19 Cb 1.26 0.25 -0.09 0.00 -0.00 0.00 0.00 40.66 42.08 2i50 h LEU 19 CO 0.14 -0.16 0.46 0.11 -0.00 0.00 0.00 178.44 179.00 2i50 h LYS 20 N -0.06 0.65 0.00 1.13 6.56 -1.62 -0.79 116.57 122.44 2i50 h LYS 20 Ca 0.16 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.62 2i50 h LYS 20 Cb 0.31 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2i50 h LYS 20 CO -0.37 0.43 -0.45 0.87 -2.06 0.00 0.00 179.45 177.87 2i50 h LYS 21 N 0.67 0.00 0.10 3.15 1.57 -1.51 -2.78 116.57 117.77 2i50 h LYS 21 Ca 0.47 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.94 2i50 h LYS 21 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2i50 h LYS 21 CO -0.35 0.45 -1.62 0.00 -0.57 0.00 0.00 179.45 177.37 2i50 h ALA 22 N 1.55 0.37 0.00 3.86 0.00 -0.89 -3.29 119.26 120.86 2i50 h ALA 22 Ca -0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2i50 h ALA 22 Cb 1.15 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2i50 h ALA 22 CO 0.06 1.23 0.00 1.28 0.00 0.00 0.00 179.25 181.82 2i50 n LEU 23 N -3.40 0.00 0.42 0.00 4.77 -0.40 -2.92 117.00 115.46 2i50 n LEU 23 Ca -0.19 0.28 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 2i50 n LEU 23 Cb 1.04 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.77 2i50 n LEU 23 CO 0.48 -0.01 0.60 0.58 -1.33 0.00 0.00 177.39 177.71 2i50 h VAL 24 N 0.00 0.22 -0.58 4.08 2.07 -1.56 -3.29 116.25 117.19 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 0.26 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 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 -5.53 4.19 -4.78 0.57 3.02 -1.21 -4.95 115.26 106.57 2i50 n ASN 25 Ca -0.14 -2.33 -0.36 0.00 -0.03 0.00 0.00 54.58 51.72 2i50 n ASN 25 Cb 0.42 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2i50 n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i50 s VAL 26 N -1.61 3.47 -0.47 2.41 0.11 -1.15 -4.99 120.40 118.18 2i50 s VAL 26 Ca 0.45 1.05 -0.11 0.00 -2.93 0.00 0.00 61.98 60.43 2i50 s VAL 26 Cb 0.28 -3.50 0.10 0.00 -1.53 0.00 0.00 36.38 31.73 2i50 s VAL 26 CO 0.23 -0.07 0.36 -0.70 -3.33 0.00 0.00 175.10 171.59 2i50 s GLU 27 N -2.82 2.67 0.16 1.54 2.56 -1.26 -5.02 118.70 116.53 2i50 s GLU 27 Ca 0.64 -1.62 -0.32 0.00 0.00 0.00 0.00 54.97 53.67 2i50 s GLU 27 Cb -0.23 -3.99 -0.10 0.00 2.00 0.00 0.00 34.13 31.81 2i50 s GLU 27 CO 0.28 -1.14 1.63 -1.58 -0.56 0.00 0.00 175.26 173.89 2i50 s TRP 28 N 1.46 2.92 -0.82 5.30 0.52 -1.26 -1.85 118.94 125.20 2i50 s TRP 28 Ca 0.04 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.66 2i50 s TRP 28 Cb -0.26 -3.99 0.00 0.00 -1.15 0.00 0.00 33.47 28.07 2i50 s TRP 28 CO 0.02 -3.74 0.00 -1.71 0.02 0.00 0.00 176.95 171.53 2i50 n ASN 29 N 4.22 -4.00 -3.82 2.95 4.05 -1.26 -4.97 115.26 112.43 2i50 n ASN 29 Ca 0.15 0.19 -0.29 0.00 0.45 0.00 0.00 54.58 55.08 2i50 n ASN 29 Cb 0.38 -2.18 -0.16 0.00 1.23 0.00 0.00 39.78 39.05 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 -2.26 1.04 -0.55 -1.44 1.01 -0.77 -4.94 121.20 113.29 2i50 s ILE 30 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 60.65 59.28 2i50 s ILE 30 Cb 0.00 -1.51 -0.13 0.00 0.01 0.00 0.00 42.46 40.83 2i50 s ILE 30 CO 0.00 -0.27 2.37 0.00 0.00 0.00 0.00 174.94 177.03 2i50 h GLN 32 N 14.02 0.78 0.00 0.00 4.20 -1.23 0.80 115.11 133.68 2i50 h GLN 32 Ca -0.20 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2i50 h GLN 32 Cb 1.31 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2i50 h GLN 32 CO 1.15 0.52 0.00 -3.47 -0.67 0.00 0.00 178.83 176.35 2i50 n ASP 33 N -4.45 0.49 0.04 1.46 2.03 -1.07 0.04 116.55 115.10 2i50 n ASP 33 Ca 0.06 0.67 -0.22 0.00 0.52 0.00 0.00 54.79 55.82 2i50 n ASP 33 Cb 0.06 -0.76 -0.14 0.00 -0.72 0.00 0.00 41.12 39.56 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 -0.15 0.38 -0.54 0.00 2.10 -0.73 -3.31 116.57 114.31 2i50 h LYS 35 Ca -0.30 -0.65 0.00 0.00 -2.00 0.00 0.00 60.65 57.71 2i50 h LYS 35 Cb 1.88 0.24 0.00 0.00 -0.90 0.00 0.00 32.23 33.45 2i50 h LYS 35 CO 0.12 1.31 0.00 0.25 -2.00 0.00 0.00 179.45 179.13 2i50 n THR 36 N -3.68 0.72 -0.06 0.07 -2.24 0.11 -4.25 114.28 104.95 2i50 n THR 36 Ca -0.24 -0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 60.66 2i50 n THR 36 Cb 1.04 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 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 3.33 0.60 0.00 3.42 3.58 -1.70 -3.48 116.42 122.18 2i50 h ASP 37 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2i50 h ASP 37 Cb 0.76 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2i50 h ASP 37 CO 0.00 1.04 0.00 0.59 -2.88 0.00 0.00 179.24 177.99 2i50 n ASN 38 N -4.32 0.00 0.00 2.28 3.02 -1.26 -4.84 115.26 110.15 2i50 n ASN 38 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2i50 n ASN 38 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 14.00 0.00 -4.01 3.52 5.02 -1.26 -4.78 118.16 130.65 2i50 n LYS 39 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 2i50 n LYS 39 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2i50 n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2i50 s VAL 40 N 0.00 3.29 0.09 -0.18 0.11 -1.26 -5.05 120.40 117.41 2i50 s VAL 40 Ca 0.00 -1.58 -0.22 0.00 -2.93 0.00 0.00 61.98 57.26 2i50 s VAL 40 Cb 0.00 -3.06 -0.12 0.00 -1.53 0.00 0.00 36.38 31.67 2i50 s VAL 40 CO 0.00 -0.20 1.71 0.11 -3.33 0.00 0.00 175.10 173.39 2i50 h LYS 41 N 1.46 0.14 -4.18 1.54 1.57 -2.04 -3.43 116.57 111.63 2i50 h LYS 41 Ca -0.44 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 2i50 h LYS 41 Cb 1.25 -0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.34 2i50 h LYS 41 CO 0.61 0.15 -0.70 -0.51 -0.57 0.00 0.00 179.45 178.43 2i50 s ASP 42 N -5.35 0.45 -0.25 0.86 1.01 -1.26 -5.07 116.67 107.06 2i50 s ASP 42 Ca -0.13 -0.69 -0.08 0.00 0.71 0.00 0.00 52.55 52.36 2i50 s ASP 42 Cb 0.07 0.12 -0.16 0.00 1.01 0.00 0.00 42.92 43.96 2i50 s ASP 42 CO 0.68 -0.39 -0.18 0.29 0.21 0.00 0.00 175.17 175.78 2i50 n LYS 43 N 1.04 0.63 -0.08 8.23 4.01 -1.26 -4.63 118.16 126.09 2i50 n LYS 43 Ca -0.20 0.25 -0.20 0.00 -0.51 0.00 0.00 58.31 57.65 2i50 n LYS 43 Cb 0.57 -1.55 -0.13 0.00 -0.51 0.00 0.00 35.03 33.42 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 -3.65 1.21 -2.89 7.82 0.00 -1.26 -4.97 120.51 116.77 2i50 n ALA 44 Ca -0.47 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 51.97 2i50 n ALA 44 Cb 0.92 -0.30 0.01 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.43 -2.49 -1.59 0.00 1.02 -1.26 -4.80 120.64 108.09 2i50 n GLU 45 Ca -0.41 2.15 -0.49 0.00 -0.02 0.00 0.00 57.16 58.39 2i50 n GLU 45 Cb 0.99 -5.26 -0.05 0.00 -0.02 0.00 0.00 31.44 27.10 2i50 n GLU 45 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2i50 n GLU 46 N -0.11 1.70 -0.09 3.49 2.13 -1.26 -4.86 120.64 121.64 2i50 n GLU 46 Ca 0.08 0.55 -0.15 0.00 0.66 0.00 0.00 57.16 58.31 2i50 n GLU 46 Cb 0.41 -2.67 -0.07 0.00 0.27 0.00 0.00 31.44 29.38 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 7.55 0.52 0.00 5.31 4.07 -1.26 -5.05 120.64 131.77 2i50 n GLU 47 Ca 0.31 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 2i50 n GLU 47 Cb 0.29 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 2i50 n GLU 47 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2i50 n THR 48 N -4.49 0.00 -3.72 6.31 5.66 -1.26 -5.12 114.28 111.66 2i50 n THR 48 Ca -0.23 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.40 2i50 n THR 48 Cb 0.52 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.19 2i50 n THR 48 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2i50 s GLU 49 N 1.94 3.86 0.03 1.09 0.41 -1.26 -5.06 118.70 119.71 2i50 s GLU 49 Ca 0.00 -0.37 0.03 0.00 -0.41 0.00 0.00 54.97 54.21 2i50 s GLU 49 Cb 0.00 -3.46 -0.02 0.00 -1.78 0.00 0.00 34.13 28.87 2i50 s GLU 49 CO 0.00 -0.09 -0.08 -1.21 -0.49 0.00 0.00 175.26 173.38 2i50 s GLU 50 N 1.43 0.59 -0.65 1.61 2.02 -1.26 -5.08 118.70 117.36 2i50 s GLU 50 Ca 0.06 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.48 2i50 s GLU 50 Cb -0.15 -0.47 0.16 0.00 0.10 0.00 0.00 34.13 33.77 2i50 s GLU 50 CO 0.06 0.11 0.44 0.15 0.02 0.00 0.00 175.26 176.03 2i50 s LYS 51 N -1.07 2.42 0.55 1.61 3.01 -1.26 -5.08 119.74 119.93 2i50 s LYS 51 Ca -0.04 -2.89 -0.17 0.00 -1.01 0.00 0.00 55.97 51.85 2i50 s LYS 51 Cb -0.07 -3.53 -0.05 0.00 -1.01 0.00 0.00 37.83 33.16 2i50 s LYS 51 CO 0.00 -1.19 1.05 -1.25 0.51 0.00 0.00 175.35 174.47 2i50 s PRO 52 N -0.71 3.52 0.18 -1.68 0.04 -1.26 -4.98 135.00 130.11 2i50 s PRO 52 Ca 0.21 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 2i50 s PRO 52 Cb -0.16 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 2i50 s PRO 52 CO -0.07 -0.65 1.13 -1.54 0.04 0.00 0.00 177.00 175.91 2i50 s SER 53 N -2.54 7.21 -0.29 6.66 1.04 -1.26 -4.92 113.70 119.59 2i50 s SER 53 Ca 0.64 2.13 -0.03 0.00 0.48 0.00 0.00 55.95 59.18 2i50 s SER 53 Cb -0.16 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.40 2i50 s SER 53 CO 0.31 -0.27 0.01 -0.69 0.98 0.00 0.00 173.24 173.58 2i50 s VAL 54 N -0.20 3.17 -0.19 5.02 1.01 -1.26 -0.23 120.40 127.73 2i50 s VAL 54 Ca 0.50 -1.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2i50 s VAL 54 Cb -0.30 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2i50 s VAL 54 CO 0.36 -0.02 0.03 0.26 0.00 0.00 0.00 175.10 175.73 2i50 s TRP 55 N 1.32 3.13 -0.22 5.22 0.52 0.13 -0.42 118.94 128.62 2i50 s TRP 55 Ca -0.03 -0.18 -0.07 0.00 0.02 0.00 0.00 56.10 55.85 2i50 s TRP 55 Cb -0.19 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.03 2i50 s TRP 55 CO -0.01 -0.04 0.05 -1.17 0.02 0.00 0.00 176.95 175.80 2i50 s LEU 56 N 0.67 3.45 -0.21 2.99 2.96 -0.12 -0.64 118.68 127.78 2i50 s LEU 56 Ca 0.01 -0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.48 2i50 s LEU 56 Cb -0.14 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2i50 s LEU 56 CO 0.02 0.03 1.99 0.00 -1.32 0.00 0.00 176.35 177.07 2i50 n LEU 58 N 10.29 0.00 -0.05 0.00 4.77 0.19 0.12 117.00 132.32 2i50 n LEU 58 Ca 0.25 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 56.27 2i50 n LEU 58 Cb 0.45 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 2i50 n LEU 58 CO 0.67 -0.05 -0.32 0.50 -1.33 0.00 0.00 177.39 176.86 2i50 h LYS 59 N 0.00 0.10 0.00 3.23 1.63 -1.03 -2.32 116.57 118.18 2i50 h LYS 59 Ca 0.00 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2i50 h LYS 59 Cb 0.19 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2i50 h LYS 59 CO 0.00 1.08 0.00 0.00 -3.45 0.00 0.00 179.45 177.08 2i50 n GLY 61 N 0.45 0.64 3.73 0.00 0.00 0.12 -4.69 105.19 105.43 2i50 n GLY 61 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 3.07 -0.24 1.61 5.04 -1.24 -4.79 115.29 116.75 2i50 s HIS 62 Ca 0.00 0.77 -0.01 0.00 -1.54 0.00 0.00 55.06 54.28 2i50 s HIS 62 Cb 0.00 -3.87 0.02 0.00 0.04 0.00 0.00 32.58 28.77 2i50 s HIS 62 CO 0.00 -3.11 -0.08 -1.14 -2.34 0.00 0.00 174.74 168.07 2i50 s GLN 63 N 0.71 2.89 0.22 2.88 0.74 -1.26 0.32 119.66 126.16 2i50 s GLN 63 Ca 0.66 -0.94 0.05 0.00 0.05 0.00 0.00 55.36 55.18 2i50 s GLN 63 Cb -0.43 -2.94 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 2i50 s GLN 63 CO 0.34 -0.36 -0.04 0.20 -0.55 0.00 0.00 175.29 174.88 2i50 s GLY 64 N 1.33 1.51 -0.12 2.59 0.00 0.18 -0.74 107.32 112.08 2i50 s GLY 64 Ca 0.01 -1.74 -0.06 0.00 0.00 0.00 0.00 44.72 42.93 2i50 s GLY 64 CO -0.05 -1.69 0.12 0.00 0.00 0.00 0.00 173.10 171.47 2i50 n GLY 66 N 2.02 2.02 0.24 0.00 0.00 0.69 -1.20 105.19 108.95 2i50 n GLY 66 Ca -0.20 -1.43 0.16 0.00 0.00 0.00 0.00 46.02 44.56 2i50 n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2i50 h ARG 67 N 0.00 0.00 -0.53 1.61 2.43 -1.92 -1.20 114.38 114.77 2i50 h ARG 67 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2i50 h ARG 67 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2i50 h ARG 67 CO 0.00 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.55 2i50 n ASN 68 N -2.64 2.89 -4.38 -3.80 4.13 -1.26 -4.83 115.26 105.37 2i50 n ASN 68 Ca -0.01 -2.06 -0.26 0.00 1.68 0.00 0.00 54.58 53.93 2i50 n ASN 68 Cb 0.09 -0.37 -0.12 0.00 -1.54 0.00 0.00 39.78 37.84 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 -0.96 3.11 0.43 6.41 1.04 -0.45 -4.35 113.70 118.92 2i50 s SER 69 Ca 0.35 -0.82 0.17 0.00 0.48 0.00 0.00 55.95 56.13 2i50 s SER 69 Cb 0.19 -0.21 0.96 0.00 0.10 0.00 0.00 66.02 67.06 2i50 s SER 69 CO 0.22 0.09 1.92 0.06 0.98 0.00 0.00 173.24 176.51 2i50 h GLN 70 N 3.45 0.00 0.06 4.02 3.07 -1.88 -3.21 115.11 120.62 2i50 h GLN 70 Ca -0.46 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 57.95 2i50 h GLN 70 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.72 2i50 h GLN 70 CO 0.46 0.26 -1.89 0.39 0.09 0.00 0.00 178.83 178.14 2i50 n GLU 71 N -4.00 0.69 -3.85 0.06 -0.58 -1.26 -4.99 120.64 106.71 2i50 n GLU 71 Ca -0.02 0.27 -0.24 0.00 -0.42 0.00 0.00 57.16 56.74 2i50 n GLU 71 Cb 0.33 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2i50 n GLU 71 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2i50 n GLN 72 N -3.24 -3.67 -0.10 3.49 7.27 -1.21 -4.79 117.38 115.12 2i50 n GLN 72 Ca -0.25 0.48 0.14 0.00 0.07 0.00 0.00 57.00 57.44 2i50 n GLN 72 Cb 1.05 -4.71 0.53 0.00 2.41 0.00 0.00 30.24 29.52 2i50 n GLN 72 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2i50 h HIS 73 N -1.85 0.40 -0.78 3.69 3.86 -1.43 0.01 115.15 119.06 2i50 h HIS 73 Ca -0.63 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.59 2i50 h HIS 73 Cb 1.37 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.67 2i50 h HIS 73 CO 0.47 0.17 0.46 0.00 0.86 0.00 0.00 177.93 179.89 2i50 h ALA 74 N 1.68 1.35 0.14 2.45 0.00 -1.59 0.63 119.26 123.92 2i50 h ALA 74 Ca 0.31 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.84 2i50 h ALA 74 Cb 0.72 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2i50 h ALA 74 CO -0.08 0.56 -1.31 -0.07 0.00 0.00 0.00 179.25 178.34 2i50 h LEU 75 N 1.07 0.48 -1.58 0.00 4.07 -1.25 -1.12 115.31 116.98 2i50 h LEU 75 Ca 0.28 -0.53 0.08 0.00 0.08 0.00 0.00 57.88 57.79 2i50 h LEU 75 Cb -0.03 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.52 2i50 h LEU 75 CO -0.05 1.42 0.40 0.11 -1.08 0.00 0.00 178.44 179.23 2i50 h LYS 76 N 0.08 0.48 -0.25 1.13 1.57 -1.09 0.30 116.57 118.80 2i50 h LYS 76 Ca -0.16 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 2i50 h LYS 76 Cb 2.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.20 2i50 h LYS 76 CO 0.21 0.32 -0.42 1.25 -0.57 0.00 0.00 179.45 180.23 2i50 h HIS 77 N 0.50 0.73 -0.20 -1.35 2.76 -0.50 0.25 115.15 117.33 2i50 h HIS 77 Ca 0.26 -0.22 -0.16 0.00 -2.20 0.00 0.00 60.37 58.06 2i50 h HIS 77 Cb 0.40 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2i50 h HIS 77 CO -0.00 0.93 -0.52 -0.92 -1.30 0.00 0.00 177.93 176.12 2i50 h TYR 78 N 0.49 0.72 -0.00 5.26 3.20 0.03 -2.98 116.97 123.69 2i50 h TYR 78 Ca 0.04 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2i50 h TYR 78 Cb 0.94 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.07 2i50 h TYR 78 CO 0.04 0.98 -0.04 1.28 -1.64 0.00 0.00 178.16 178.78 2i50 n LEU 79 N -3.97 0.30 -4.69 2.82 4.77 0.95 -4.78 117.00 112.40 2i50 n LEU 79 Ca -0.03 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2i50 n LEU 79 Cb 0.59 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2i50 n LEU 79 CO 0.47 0.05 1.26 -0.89 -1.33 0.00 0.00 177.39 176.95 2i50 s THR 80 N -2.31 3.14 -0.48 -5.08 2.01 0.81 -4.90 115.64 108.83 2i50 s THR 80 Ca 0.36 0.62 -0.28 0.00 0.31 0.00 0.00 61.69 62.70 2i50 s THR 80 Cb 0.21 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2i50 s THR 80 CO 0.43 0.01 1.67 -2.16 -0.69 0.00 0.00 174.62 173.87 2i50 s PRO 81 N 2.34 3.16 0.14 4.92 0.04 -1.26 -4.93 135.00 139.41 2i50 s PRO 81 Ca 0.71 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 2i50 s PRO 81 Cb -0.38 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 2i50 s PRO 81 CO 0.31 -2.08 0.06 -0.98 0.04 0.00 0.00 177.00 174.35 2i50 s ARG 82 N 5.91 0.96 0.11 4.56 1.70 -1.26 -5.05 118.95 125.87 2i50 s ARG 82 Ca 0.67 -1.46 0.04 0.00 -0.47 0.00 0.00 55.73 54.51 2i50 s ARG 82 Cb -0.15 0.22 -0.23 0.00 -0.57 0.00 0.00 34.95 34.22 2i50 s ARG 82 CO 0.28 -0.27 1.24 0.77 -1.08 0.00 0.00 175.30 176.24 2i50 h SER 83 N 2.84 0.12 -3.25 -2.89 0.02 -2.03 -3.44 113.55 104.91 2i50 h SER 83 Ca -0.35 -0.13 -0.57 0.00 -0.84 0.00 0.00 61.79 59.90 2i50 h SER 83 Cb 1.20 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 2i50 h SER 83 CO 0.59 1.10 -0.24 -1.61 -1.14 0.00 0.00 176.83 175.53 2i50 s GLU 84 N -2.69 3.70 0.09 3.45 2.02 -1.26 -5.02 118.70 118.99 2i50 s GLU 84 Ca -0.00 0.07 -0.14 0.00 0.02 0.00 0.00 54.97 54.92 2i50 s GLU 84 Cb 0.09 -2.80 -0.16 0.00 0.10 0.00 0.00 34.13 31.36 2i50 s GLU 84 CO 0.84 0.43 1.29 -1.00 0.02 0.00 0.00 175.26 176.84 2i50 h PRO 85 N 2.85 0.76 -6.43 0.39 0.13 -1.86 -3.47 132.00 124.37 2i50 h PRO 85 Ca -0.47 -0.62 -0.50 0.00 -0.87 0.00 0.00 66.00 63.55 2i50 h PRO 85 Cb 1.17 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 2i50 h PRO 85 CO 0.71 1.23 -0.79 0.72 -0.23 0.00 0.00 178.00 179.64 2i50 n HIS 86 N -3.98 -2.12 -0.45 1.56 8.25 -1.26 -4.84 115.22 112.38 2i50 n HIS 86 Ca -0.08 0.87 0.08 0.00 -0.26 0.00 0.00 57.72 58.34 2i50 n HIS 86 Cb 0.73 -3.70 0.33 0.00 1.12 0.00 0.00 29.99 28.47 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 -1.79 2.22 0.02 0.00 1.43 -1.26 -0.90 118.68 118.39 2i50 s LEU 88 Ca 0.47 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2i50 s LEU 88 Cb 0.31 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2i50 s LEU 88 CO 0.22 0.08 -0.04 0.68 0.23 0.00 0.00 176.35 177.53 2i50 s VAL 89 N 0.81 0.23 0.25 -1.59 -7.23 -0.69 0.56 120.40 112.75 2i50 s VAL 89 Ca -0.07 -0.64 0.08 0.00 -1.81 0.00 0.00 61.98 59.54 2i50 s VAL 89 Cb -0.15 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.45 2i50 s VAL 89 CO -0.01 -0.27 0.10 -1.48 -0.31 0.00 0.00 175.10 173.13 2i50 s LEU 90 N -0.96 3.53 -0.14 1.32 0.05 -0.19 -0.15 118.68 122.13 2i50 s LEU 90 Ca -0.08 -0.42 -0.10 0.00 0.05 0.00 0.00 54.13 53.58 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 -0.01 0.19 -0.94 -0.55 0.00 0.00 176.35 175.03 2i50 s SER 91 N -3.71 6.39 -0.08 1.48 1.04 0.75 -0.95 113.70 118.62 2i50 s SER 91 Ca 0.32 0.45 0.10 0.00 0.48 0.00 0.00 55.95 57.30 2i50 s SER 91 Cb -0.07 -2.11 0.43 0.00 0.10 0.00 0.00 66.02 64.37 2i50 s SER 91 CO 0.22 0.28 1.26 0.18 0.98 0.00 0.00 173.24 176.17 2i50 n LEU 92 N 2.68 3.14 -0.07 2.42 4.77 0.44 -2.05 117.00 128.33 2i50 n LEU 92 Ca -0.17 -1.58 -0.14 0.00 -0.03 0.00 0.00 56.01 54.09 2i50 n LEU 92 Cb 0.53 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2i50 n LEU 92 CO 0.35 0.51 -0.87 0.47 -1.33 0.00 0.00 177.39 176.52 2i50 n ASP 93 N 0.53 1.27 -0.01 -1.43 9.92 -1.26 -4.77 116.55 120.79 2i50 n ASP 93 Ca 0.15 0.21 0.01 0.00 -0.53 0.00 0.00 54.79 54.63 2i50 n ASP 93 Cb 0.62 -0.50 -0.00 0.00 -0.64 0.00 0.00 41.12 40.59 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 -3.82 0.33 -2.99 -2.24 5.15 -1.26 -5.02 115.26 105.41 2i50 n ASN 94 Ca -0.25 -0.67 -0.13 0.00 -0.60 0.00 0.00 54.58 52.93 2i50 n ASN 94 Cb 0.61 0.74 0.06 0.00 -0.53 0.00 0.00 39.78 40.66 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 -0.75 -2.07 -4.23 1.20 7.02 -0.87 -5.04 117.44 112.70 2i50 n TRP 95 Ca 0.00 0.74 -0.27 0.00 -1.02 0.00 0.00 57.50 56.95 2i50 n TRP 95 Cb 0.02 -3.95 -0.06 0.00 -2.42 0.00 0.00 31.31 24.91 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 -3.40 4.38 -0.01 -0.99 0.01 -1.25 -4.85 113.70 107.59 2i50 s SER 96 Ca 0.36 -1.26 0.06 0.00 1.31 0.00 0.00 55.95 56.41 2i50 s SER 96 Cb -0.05 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2i50 s SER 96 CO 0.63 -0.75 -0.17 -0.69 0.41 0.00 0.00 173.24 172.67 2i50 s VAL 97 N -2.71 2.82 -0.05 3.43 1.01 -1.24 -0.18 120.40 123.48 2i50 s VAL 97 Ca 0.31 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2i50 s VAL 97 Cb 0.02 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 2i50 s VAL 97 CO 0.18 0.48 -0.18 0.86 0.00 0.00 0.00 175.10 176.44 2i50 s TRP 98 N -0.80 1.80 -0.25 5.22 -0.11 0.78 -0.10 118.94 125.48 2i50 s TRP 98 Ca 0.13 -0.54 0.01 0.00 1.22 0.00 0.00 56.10 56.92 2i50 s TRP 98 Cb -0.10 -1.21 0.05 0.00 -1.50 0.00 0.00 33.47 30.70 2i50 s TRP 98 CO 0.02 -0.19 -0.10 0.00 -4.62 0.00 0.00 176.95 172.07 2i50 h TYR 100 N 7.87 0.12 0.00 0.00 0.05 -1.30 0.40 116.97 124.12 2i50 h TYR 100 Ca -0.26 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.39 2i50 h TYR 100 Cb 1.07 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.76 2i50 h TYR 100 CO 0.60 0.37 -0.89 -0.24 -1.05 0.00 0.00 178.16 176.95 2i50 h VAL 101 N 0.10 0.58 0.02 -2.88 3.04 -1.94 -2.93 116.25 112.24 2i50 h VAL 101 Ca 0.02 -1.93 -0.21 0.00 -1.01 0.00 0.00 66.70 63.57 2i50 h VAL 101 Cb 0.52 2.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 2i50 h VAL 101 CO 0.04 0.33 -0.97 0.00 -1.01 0.00 0.00 177.57 175.96 2i50 n ASP 103 N -3.54 -3.38 -2.69 0.00 2.03 0.14 -5.01 116.55 104.11 2i50 n ASP 103 Ca -0.03 -0.44 -0.09 0.00 0.52 0.00 0.00 54.79 54.74 2i50 n ASP 103 Cb 0.88 -3.97 0.02 0.00 -0.72 0.00 0.00 41.12 37.32 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 -2.33 -1.98 -4.72 1.67 6.94 -1.18 -5.04 115.26 108.63 2i50 n ASN 104 Ca -0.13 -2.53 -0.38 0.00 -0.02 0.00 0.00 54.58 51.52 2i50 n ASN 104 Cb 0.59 3.34 -0.06 0.00 -2.36 0.00 0.00 39.78 41.30 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 -2.20 4.33 -0.20 -3.83 2.12 -1.26 -1.76 118.70 115.89 2i50 s GLU 105 Ca 0.17 0.48 -0.15 0.00 0.36 0.00 0.00 54.97 55.84 2i50 s GLU 105 Cb -0.04 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2i50 s GLU 105 CO 0.13 0.12 0.34 0.08 -0.54 0.00 0.00 175.26 175.38 2i50 s VAL 106 N 0.74 5.25 -0.63 3.70 1.01 0.85 -4.95 120.40 126.37 2i50 s VAL 106 Ca 0.27 0.59 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 2i50 s VAL 106 Cb -0.15 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.70 2i50 s VAL 106 CO 0.11 0.29 0.62 -1.10 0.00 0.00 0.00 175.10 175.03 2i50 s GLN 107 N 1.11 3.16 0.60 2.72 1.11 -1.26 -3.72 119.66 123.39 2i50 s GLN 107 Ca 0.17 -1.80 -0.04 0.00 0.01 0.00 0.00 55.36 53.69 2i50 s GLN 107 Cb -0.14 -4.34 0.03 0.00 -1.01 0.00 0.00 33.01 27.54 2i50 s GLN 107 CO 0.07 -1.38 0.89 1.52 0.01 0.00 0.00 175.29 176.40 2i50 s TYR 108 N 1.54 3.09 0.03 0.91 1.13 -1.26 -5.05 117.35 117.75 2i50 s TYR 108 Ca 0.09 0.44 0.04 0.00 -1.41 0.00 0.00 57.07 56.23 2i50 s TYR 108 Cb -0.24 -2.83 -0.02 0.00 -1.10 0.00 0.00 41.96 37.78 2i50 s TYR 108 CO 0.01 -0.95 -0.11 0.00 -2.51 0.00 0.00 175.55 171.98 2i50 h SER 110 N 5.00 0.00 0.62 0.00 0.02 -1.95 -0.85 113.55 116.40 2i50 h SER 110 Ca -0.36 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.49 2i50 h SER 110 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2i50 h SER 110 CO 0.44 0.00 -0.49 0.28 -1.14 0.00 0.00 176.83 175.92 2i50 h SER 111 N 0.00 0.00 -3.03 3.07 0.02 -1.96 -3.29 113.55 108.36 2i50 h SER 111 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 2i50 h SER 111 Cb 0.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2i50 h SER 111 CO 0.00 0.49 -0.41 0.21 -1.14 0.00 0.00 176.83 175.99 2i50 s ASN 112 N -6.74 6.43 0.33 3.07 2.47 -0.34 -4.91 114.94 115.24 2i50 s ASN 112 Ca -0.01 0.43 0.11 0.00 0.42 0.00 0.00 52.86 53.81 2i50 s ASN 112 Cb 0.13 -2.03 1.04 0.00 -1.45 0.00 0.00 41.25 38.94 2i50 s ASN 112 CO 0.73 0.12 1.60 -0.61 -3.72 0.00 0.00 177.10 175.22 2i50 h GLN 113 N 2.99 0.08 -0.37 0.43 4.15 -1.85 0.36 115.11 120.90 2i50 h GLN 113 Ca -0.46 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 58.89 2i50 h GLN 113 Cb 1.16 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2i50 h GLN 113 CO 0.74 0.05 -0.04 1.25 -1.93 0.00 0.00 178.83 178.90 2i50 h LEU 114 N 0.09 0.69 -0.61 -2.39 5.85 -1.94 0.26 115.31 117.25 2i50 h LEU 114 Ca 0.71 -0.34 -0.15 0.00 0.84 0.00 0.00 57.88 58.95 2i50 h LEU 114 Cb 1.69 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2i50 h LEU 114 CO -0.77 0.86 -0.48 1.23 -0.34 0.00 0.00 178.44 178.94 2i50 h GLY 115 N 0.50 0.59 0.77 3.75 0.00 -0.85 -1.07 103.07 106.75 2i50 h GLY 115 Ca 0.10 -0.63 0.05 0.00 0.00 0.00 0.00 47.33 46.84 2i50 h GLY 115 CO 0.03 0.57 0.44 1.46 0.00 0.00 0.00 176.54 179.03 2i50 h GLN 116 N 0.43 0.80 0.02 4.80 4.20 -0.48 0.40 115.11 125.27 2i50 h GLN 116 Ca 0.02 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2i50 h GLN 116 Cb 1.00 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.61 2i50 h GLN 116 CO 0.09 0.53 -0.61 0.28 -0.67 0.00 0.00 178.83 178.45 2i50 h VAL 117 N 0.82 1.45 -0.97 -0.54 2.07 -0.81 -0.23 116.25 118.04 2i50 h VAL 117 Ca 0.31 -2.14 0.14 0.00 0.82 0.00 0.00 66.70 65.82 2i50 h VAL 117 Cb 0.11 2.71 -0.08 0.00 -1.52 0.00 0.00 31.29 32.51 2i50 h VAL 117 CO -0.15 0.62 0.61 0.58 0.02 0.00 0.00 177.57 179.25 2i50 h VAL 118 N -0.18 0.87 -0.34 2.57 2.07 -1.04 0.50 116.25 120.68 2i50 h VAL 118 Ca -0.08 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 2i50 h VAL 118 Cb 1.34 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2i50 h VAL 118 CO 0.12 0.16 -0.08 -0.78 0.02 0.00 0.00 177.57 177.01 2i50 h ASP 119 N 0.88 0.66 -0.03 0.57 3.58 -0.79 0.16 116.42 121.46 2i50 h ASP 119 Ca 0.50 -0.36 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2i50 h ASP 119 Cb 0.61 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 2i50 h ASP 119 CO -0.26 0.87 0.02 0.22 -2.88 0.00 0.00 179.24 177.20 2i50 h TYR 120 N 0.45 0.05 -0.03 0.28 3.20 0.39 -0.54 116.97 120.77 2i50 h TYR 120 Ca 0.09 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2i50 h TYR 120 Cb 0.58 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2i50 h TYR 120 CO 0.05 0.14 -0.46 0.28 -1.64 0.00 0.00 178.16 176.53 2i50 h VAL 121 N -0.06 1.33 -0.01 1.81 2.07 0.05 0.12 116.25 121.56 2i50 h VAL 121 Ca 0.01 -1.59 -0.12 0.00 0.82 0.00 0.00 66.70 65.82 2i50 h VAL 121 Cb 0.11 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2i50 h VAL 121 CO -0.00 0.46 -0.56 -0.09 0.02 0.00 0.00 177.57 177.40 2i50 h ARG 122 N 0.05 0.03 0.00 1.57 2.43 -0.34 0.60 114.38 118.73 2i50 h ARG 122 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2i50 h ARG 122 Cb 0.83 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2i50 h ARG 122 CO 0.06 0.59 -0.10 0.87 -1.51 0.00 0.00 179.97 179.88 2i50 h LYS 123 N 0.03 0.00 0.20 0.20 1.57 0.61 0.35 116.57 119.53 2i50 h LYS 123 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2i50 h LYS 123 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2i50 h LYS 123 CO 0.08 0.10 -0.10 1.96 -0.57 0.00 0.00 179.45 180.92 2i50 h GLN 124 N 0.00 -0.26 0.04 3.15 1.08 0.36 -3.32 115.11 116.16 2i50 h GLN 124 Ca -0.00 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2i50 h GLN 124 Cb 0.94 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2i50 h GLN 124 CO 0.01 0.13 -0.02 0.00 -0.95 0.00 0.00 178.83 178.00 2i50 h ALA 125 N -0.20 -0.05 0.00 3.87 0.00 -0.98 -3.51 119.26 118.39 2i50 h ALA 125 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2i50 h ALA 125 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2i50 h ALA 125 CO 0.05 -0.34 0.00 0.45 0.00 0.00 0.00 179.25 179.40