#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 -0.08 0.52 0.11 -1.26 -5.09 120.40 114.60 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 -1.16 -0.05 0.00 -1.53 0.00 0.00 36.38 33.64 2i50 s VAL 6 CO 0.00 0.00 0.43 0.00 -3.33 0.00 0.00 175.10 172.20 2i50 n ARG 8 N 2.95 2.18 -0.14 0.00 0.00 -1.26 -4.45 116.66 115.93 2i50 n ARG 8 Ca -0.10 -1.50 0.03 0.00 -0.00 0.00 0.00 57.85 56.28 2i50 n ARG 8 Cb 0.52 -1.10 0.09 0.00 -0.00 0.00 0.00 32.46 31.97 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 -0.02 0.34 -0.19 2.89 8.25 -1.26 -3.47 115.22 121.77 2i50 n HIS 9 Ca 0.04 -0.15 -0.02 0.00 -0.26 0.00 0.00 57.72 57.33 2i50 n HIS 9 Cb 0.27 -0.05 0.19 0.00 1.12 0.00 0.00 29.99 31.52 2i50 n HIS 9 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2i50 h ILE 10 N 1.16 1.22 -0.59 1.59 1.08 -1.95 0.20 117.51 120.21 2i50 h ILE 10 Ca 0.00 -0.67 0.07 0.00 -0.39 0.00 0.00 64.86 63.87 2i50 h ILE 10 Cb 0.42 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.53 2i50 h ILE 10 CO 0.03 0.27 0.27 0.03 -0.69 0.00 0.00 178.15 178.06 2i50 h ARG 11 N 0.94 0.48 -0.50 2.37 3.08 -1.85 0.16 114.38 119.07 2i50 h ARG 11 Ca 0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2i50 h ARG 11 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2i50 h ARG 11 CO -0.02 0.32 0.00 0.36 -1.07 0.00 0.00 179.97 179.56 2i50 n LYS 12 N -4.92 2.69 0.00 0.04 2.85 -0.94 -4.57 118.16 113.31 2i50 n LYS 12 Ca 0.07 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 55.04 2i50 n LYS 12 Cb 0.21 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2i50 n LYS 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2i50 n GLY 13 N 1.07 0.00 3.66 2.58 0.00 0.65 -4.58 105.19 108.57 2i50 n GLY 13 Ca 0.17 0.00 -0.41 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 -3.83 4.14 0.06 0.99 1.98 0.54 -2.73 118.68 119.84 2i50 s LEU 14 Ca 0.00 0.93 0.06 0.00 -2.89 0.00 0.00 54.13 52.24 2i50 s LEU 14 Cb 0.00 -3.01 -0.03 0.00 0.66 0.00 0.00 46.19 43.82 2i50 s LEU 14 CO 0.00 -0.33 -0.17 -0.70 -1.89 0.00 0.00 176.35 173.26 2i50 s GLU 15 N 2.08 1.03 -0.05 1.98 -6.30 -0.88 -4.76 118.70 111.80 2i50 s GLU 15 Ca 0.32 -0.94 0.00 0.00 -2.50 0.00 0.00 54.97 51.85 2i50 s GLU 15 Cb -0.16 -1.12 -0.03 0.00 0.00 0.00 0.00 34.13 32.82 2i50 s GLU 15 CO 0.11 0.27 -0.05 1.04 0.02 0.00 0.00 175.26 176.65 2i50 n GLN 16 N 1.54 0.14 0.04 4.30 6.02 -1.26 -4.65 117.38 123.51 2i50 n GLN 16 Ca -0.19 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.72 2i50 n GLN 16 Cb 0.54 -1.10 -0.04 0.00 1.02 0.00 0.00 30.24 30.65 2i50 n GLN 16 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2i50 h GLY 17 N 0.40 -0.20 0.98 1.08 0.00 -1.96 -2.03 103.07 101.34 2i50 h GLY 17 Ca -0.12 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2i50 h GLY 17 CO -0.02 -0.16 0.24 3.43 0.00 0.00 0.00 176.54 180.03 2i50 h ASN 18 N -0.26 0.74 -0.56 0.19 2.35 -1.88 -3.25 115.58 112.91 2i50 h ASN 18 Ca 0.06 -0.15 0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2i50 h ASN 18 Cb 0.35 -0.19 -0.11 0.00 0.05 0.00 0.00 38.32 38.42 2i50 h ASN 18 CO -0.18 0.69 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.98 2i50 h LEU 19 N 0.74 -0.82 -0.85 1.61 -0.00 -1.64 0.67 115.31 115.01 2i50 h LEU 19 Ca 0.19 0.20 0.02 0.00 -0.00 0.00 0.00 57.88 58.28 2i50 h LEU 19 Cb 0.16 0.45 -0.05 0.00 -0.00 0.00 0.00 40.66 41.23 2i50 h LEU 19 CO -0.02 -0.26 0.56 0.11 -0.00 0.00 0.00 178.44 178.83 2i50 h LYS 20 N -0.10 1.07 0.00 1.13 6.56 -1.51 0.62 116.57 124.34 2i50 h LYS 20 Ca 0.25 -0.06 -0.21 0.00 -1.06 0.00 0.00 60.65 59.57 2i50 h LYS 20 Cb 0.50 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 31.89 2i50 h LYS 20 CO -0.62 0.71 -1.02 0.87 -2.06 0.00 0.00 179.45 177.33 2i50 h LYS 21 N 1.10 0.00 0.13 3.15 1.57 -0.91 -2.93 116.57 118.69 2i50 h LYS 21 Ca 0.33 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.82 2i50 h LYS 21 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2i50 h LYS 21 CO -0.10 0.99 -1.31 0.00 -0.57 0.00 0.00 179.45 178.47 2i50 h ALA 22 N 1.00 0.12 0.00 3.86 0.00 0.51 -3.17 119.26 121.58 2i50 h ALA 22 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2i50 h ALA 22 Cb 1.78 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2i50 h ALA 22 CO 0.13 1.00 0.00 1.28 0.00 0.00 0.00 179.25 181.66 2i50 n LEU 23 N -3.52 0.26 0.01 0.00 4.77 0.18 -2.55 117.00 116.15 2i50 n LEU 23 Ca -0.10 0.53 -0.11 0.00 -0.03 0.00 0.00 56.01 56.30 2i50 n LEU 23 Cb 1.03 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 2i50 n LEU 23 CO 0.54 -0.14 0.89 0.58 -1.33 0.00 0.00 177.39 177.93 2i50 h VAL 24 N 0.00 1.03 -0.56 4.08 2.07 -1.48 -3.22 116.25 118.18 2i50 h VAL 24 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2i50 h VAL 24 Cb 0.50 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2i50 h VAL 24 CO 0.00 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.21 2i50 n ASN 25 N -5.03 3.82 -4.81 0.57 3.02 -1.16 -4.98 115.26 106.70 2i50 n ASN 25 Ca -0.06 -2.17 -0.33 0.00 -0.03 0.00 0.00 54.58 51.99 2i50 n ASN 25 Cb 0.04 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 38.77 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 -1.32 3.99 -0.29 2.41 0.11 -1.06 -5.02 120.40 119.23 2i50 s VAL 26 Ca 0.41 0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 60.38 2i50 s VAL 26 Cb 0.24 -3.47 0.03 0.00 -1.53 0.00 0.00 36.38 31.64 2i50 s VAL 26 CO 0.24 -0.53 0.03 -0.70 -3.33 0.00 0.00 175.10 170.81 2i50 s GLU 27 N -4.01 2.78 0.02 1.54 2.56 -1.26 -5.02 118.70 115.29 2i50 s GLU 27 Ca 0.63 -1.05 -0.30 0.00 0.00 0.00 0.00 54.97 54.25 2i50 s GLU 27 Cb -0.14 -3.24 -0.05 0.00 2.00 0.00 0.00 34.13 32.69 2i50 s GLU 27 CO 0.34 -0.52 1.20 -1.58 -0.56 0.00 0.00 175.26 174.14 2i50 s TRP 28 N 1.38 3.34 -1.21 5.30 0.52 -1.26 -2.67 118.94 124.35 2i50 s TRP 28 Ca -0.01 1.27 0.00 0.00 0.02 0.00 0.00 56.10 57.39 2i50 s TRP 28 Cb -0.18 -3.41 0.00 0.00 -1.15 0.00 0.00 33.47 28.73 2i50 s TRP 28 CO -0.00 -1.27 0.00 -1.71 0.02 0.00 0.00 176.95 173.99 2i50 n ASN 29 N 4.40 -4.49 -3.94 2.95 2.85 -1.26 -4.95 115.26 110.82 2i50 n ASN 29 Ca 0.10 0.28 -0.30 0.00 -0.11 0.00 0.00 54.58 54.54 2i50 n ASN 29 Cb 0.46 -2.99 -0.15 0.00 1.24 0.00 0.00 39.78 38.34 2i50 n ASN 29 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2i50 s ILE 30 N -2.38 1.58 -0.47 -1.44 1.01 -1.09 -4.94 121.20 113.47 2i50 s ILE 30 Ca 0.00 -1.38 -0.34 0.00 0.00 0.00 0.00 60.65 58.94 2i50 s ILE 30 Cb 0.00 -1.90 -0.13 0.00 0.01 0.00 0.00 42.46 40.44 2i50 s ILE 30 CO 0.00 -0.20 2.30 0.00 0.00 0.00 0.00 174.94 177.03 2i50 h GLN 32 N 13.34 0.00 0.00 0.00 3.07 -1.41 0.35 115.11 130.46 2i50 h GLN 32 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 2i50 h GLN 32 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 2i50 h GLN 32 CO 1.10 0.00 0.00 0.22 0.09 0.00 0.00 178.83 180.24 2i50 h ASP 33 N 0.00 0.00 0.88 0.06 3.58 -1.84 -2.77 116.42 116.33 2i50 h ASP 33 Ca -0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 2i50 h ASP 33 Cb 0.10 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 2i50 h ASP 33 CO 0.00 0.00 -1.19 0.00 -2.88 0.00 0.00 179.24 175.17 2i50 h LYS 35 N 0.00 0.00 -0.52 0.00 2.10 -1.37 -2.91 116.57 113.87 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 1.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 2i50 h LYS 35 CO 0.10 0.03 0.00 0.25 -2.00 0.00 0.00 179.45 177.83 2i50 n THR 36 N -3.02 1.84 -2.38 0.07 -2.24 -1.06 -4.93 114.28 102.56 2i50 n THR 36 Ca 0.03 -1.31 -0.40 0.00 -2.27 0.00 0.00 64.05 60.09 2i50 n THR 36 Cb 0.55 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.13 5.86 1.04 3.42 2.15 -1.06 -4.99 116.67 121.97 2i50 s ASP 37 Ca 0.45 -0.19 -0.03 0.00 0.43 0.00 0.00 52.55 53.21 2i50 s ASP 37 Cb 0.30 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.41 2i50 s ASP 37 CO 0.20 -2.02 0.14 -3.20 -0.17 0.00 0.00 175.17 170.12 2i50 n ASN 38 N 10.51 -1.38 0.00 -0.34 5.15 -1.26 -4.38 115.26 123.56 2i50 n ASN 38 Ca 0.09 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 2i50 n ASN 38 Cb 0.50 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 2i50 n ASN 38 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2i50 n LYS 39 N -2.06 0.00 -4.24 1.20 5.02 -1.26 -4.81 118.16 112.00 2i50 n LYS 39 Ca 0.02 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 2i50 n LYS 39 Cb 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.00 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 4.60 -0.18 -0.18 0.11 -1.26 -5.03 120.40 118.46 2i50 s VAL 40 Ca 0.00 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.79 2i50 s VAL 40 Cb 0.00 -2.97 -0.08 0.00 -1.53 0.00 0.00 36.38 31.80 2i50 s VAL 40 CO 0.00 0.58 -0.24 0.29 -3.33 0.00 0.00 175.10 172.41 2i50 n LYS 41 N 2.01 0.39 0.00 1.54 5.02 -1.26 -4.90 118.16 120.96 2i50 n LYS 41 Ca -0.18 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2i50 n LYS 41 Cb 0.54 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2i50 n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2i50 n ASP 42 N -3.83 0.00 -1.27 4.39 9.92 -1.26 -4.87 116.55 119.63 2i50 n ASP 42 Ca -0.36 0.44 -0.17 0.00 -0.53 0.00 0.00 54.79 54.17 2i50 n ASP 42 Cb 0.75 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.16 2i50 n ASP 42 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2i50 n LYS 43 N -0.52 -1.28 -0.06 -1.24 5.02 -1.26 -4.86 118.16 113.97 2i50 n LYS 43 Ca 0.00 1.08 -0.06 0.00 -2.02 0.00 0.00 58.31 57.31 2i50 n LYS 43 Cb 0.00 -5.34 -0.05 0.00 -0.02 0.00 0.00 35.03 29.62 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i50 h ALA 44 N 0.00 0.01 -6.95 7.82 0.00 -2.03 -3.48 119.26 114.63 2i50 h ALA 44 Ca -0.34 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 2i50 h ALA 44 Cb 1.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2i50 h ALA 44 CO 0.50 0.08 -1.02 0.39 0.00 0.00 0.00 179.25 179.20 2i50 n GLU 45 N -4.70 -0.41 0.28 0.00 4.71 -1.26 -4.84 120.64 114.42 2i50 n GLU 45 Ca -0.05 0.15 0.17 0.00 -0.01 0.00 0.00 57.16 57.42 2i50 n GLU 45 Cb 0.20 -2.34 0.69 0.00 -1.01 0.00 0.00 31.44 28.98 2i50 n GLU 45 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 2i50 h GLU 46 N -2.21 0.00 0.00 3.49 9.09 -2.01 -0.64 114.58 122.29 2i50 h GLU 46 Ca -0.70 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 58.36 2i50 h GLU 46 Cb 1.38 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.42 2i50 h GLU 46 CO 0.49 0.00 -2.33 -1.91 0.05 0.00 0.00 179.01 175.31 2i50 n GLU 47 N -3.09 0.76 0.15 1.06 2.13 -1.26 -4.58 120.64 115.82 2i50 n GLU 47 Ca 0.01 0.07 -0.11 0.00 0.66 0.00 0.00 57.16 57.79 2i50 n GLU 47 Cb 0.31 -1.48 -0.06 0.00 0.27 0.00 0.00 31.44 30.47 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 0.39 -5.95 6.31 2.02 -1.93 -3.48 112.91 110.27 2i50 h THR 48 Ca -0.52 -0.75 -0.21 0.00 0.77 0.00 0.00 66.41 65.70 2i50 h THR 48 Cb 1.98 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2i50 h THR 48 CO -0.03 0.09 -0.51 -0.62 0.37 0.00 0.00 175.52 174.82 2i50 n GLU 49 N -5.09 -1.50 -4.16 6.66 1.02 -0.26 -5.02 120.64 112.30 2i50 n GLU 49 Ca -0.08 1.25 -0.30 0.00 -0.02 0.00 0.00 57.16 58.01 2i50 n GLU 49 Cb 0.25 -4.25 -0.08 0.00 -0.02 0.00 0.00 31.44 27.34 2i50 n GLU 49 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2i50 s GLU 50 N -3.71 2.42 -0.36 3.49 4.04 -1.26 -5.09 118.70 118.24 2i50 s GLU 50 Ca 0.03 -0.91 0.00 0.00 0.04 0.00 0.00 54.97 54.13 2i50 s GLU 50 Cb -0.01 -2.46 0.12 0.00 0.02 0.00 0.00 34.13 31.80 2i50 s GLU 50 CO 0.81 0.52 0.17 0.15 -1.84 0.00 0.00 175.26 175.08 2i50 s LYS 51 N -2.34 0.83 1.07 -4.83 3.01 -1.26 -5.13 119.74 111.09 2i50 s LYS 51 Ca 0.25 -1.38 -0.16 0.00 -1.01 0.00 0.00 55.97 53.66 2i50 s LYS 51 Cb -0.11 -1.90 0.23 0.00 -1.01 0.00 0.00 37.83 35.03 2i50 s LYS 51 CO 0.17 -1.09 1.15 -1.25 0.51 0.00 0.00 175.35 174.85 2i50 s PRO 52 N 1.14 -0.19 0.31 -1.68 0.04 -1.26 -5.01 135.00 128.35 2i50 s PRO 52 Ca 0.14 0.02 -0.28 0.00 0.04 0.00 0.00 61.00 60.92 2i50 s PRO 52 Cb -0.21 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 2i50 s PRO 52 CO -0.13 -3.04 1.06 -1.54 0.04 0.00 0.00 177.00 173.39 2i50 s SER 53 N -4.04 7.16 -0.28 6.66 1.04 -1.26 -4.92 113.70 118.05 2i50 s SER 53 Ca 0.69 2.16 0.02 0.00 0.48 0.00 0.00 55.95 59.30 2i50 s SER 53 Cb -0.11 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.46 2i50 s SER 53 CO 0.55 -0.21 -0.06 -0.69 0.98 0.00 0.00 173.24 173.81 2i50 s VAL 54 N -1.32 2.35 -0.21 5.02 1.01 -1.26 0.05 120.40 126.03 2i50 s VAL 54 Ca 0.48 -1.71 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 2i50 s VAL 54 Cb -0.28 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2i50 s VAL 54 CO 0.36 -0.14 0.09 0.26 0.00 0.00 0.00 175.10 175.66 2i50 s TRP 55 N 1.10 3.22 -0.26 5.22 0.52 0.12 -0.04 118.94 128.80 2i50 s TRP 55 Ca -0.05 -0.01 -0.10 0.00 0.02 0.00 0.00 56.10 55.95 2i50 s TRP 55 Cb -0.20 -2.17 -0.05 0.00 -1.15 0.00 0.00 33.47 29.91 2i50 s TRP 55 CO -0.05 -0.00 0.17 -1.17 0.02 0.00 0.00 176.95 175.92 2i50 s LEU 56 N 0.87 3.99 -0.11 2.99 2.96 0.12 -0.10 118.68 129.40 2i50 s LEU 56 Ca 0.05 0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.67 2i50 s LEU 56 Cb -0.13 -2.09 -0.07 0.00 0.50 0.00 0.00 46.19 44.39 2i50 s LEU 56 CO 0.03 -0.01 2.12 0.00 -1.32 0.00 0.00 176.35 177.16 2i50 n LEU 58 N 9.84 0.00 -0.01 0.00 4.77 0.17 0.61 117.00 132.38 2i50 n LEU 58 Ca 0.26 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 56.25 2i50 n LEU 58 Cb 0.43 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.16 2i50 n LEU 58 CO 0.67 -0.07 -0.86 1.17 -1.33 0.00 0.00 177.39 176.98 2i50 n LYS 59 N -1.22 0.75 0.00 3.23 3.00 -1.10 -2.08 118.16 120.73 2i50 n LYS 59 Ca 0.11 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 2i50 n LYS 59 Cb 0.15 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.49 2i50 n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i50 n GLY 61 N -0.03 0.70 3.63 0.00 0.00 0.20 -4.72 105.19 104.98 2i50 n GLY 61 Ca 0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.12 3.26 -0.03 1.61 5.04 -1.24 -4.75 115.29 117.05 2i50 s HIS 62 Ca 0.00 1.03 -0.24 0.00 -1.54 0.00 0.00 55.06 54.30 2i50 s HIS 62 Cb 0.00 -3.16 -0.04 0.00 0.04 0.00 0.00 32.58 29.42 2i50 s HIS 62 CO 0.00 -0.49 0.74 -0.65 -2.34 0.00 0.00 174.74 172.00 2i50 s GLN 63 N 2.94 4.46 0.04 2.88 1.11 -1.26 -0.16 119.66 129.67 2i50 s GLN 63 Ca 0.35 0.97 0.04 0.00 0.01 0.00 0.00 55.36 56.72 2i50 s GLN 63 Cb -0.15 -3.42 -0.02 0.00 -1.01 0.00 0.00 33.01 28.41 2i50 s GLN 63 CO 0.10 0.12 -0.11 0.20 0.01 0.00 0.00 175.29 175.60 2i50 s GLY 64 N 0.58 0.64 -0.02 3.09 0.00 0.86 -1.11 107.32 111.35 2i50 s GLY 64 Ca 0.39 -0.76 -0.25 0.00 0.00 0.00 0.00 44.72 44.10 2i50 s GLY 64 CO 0.20 -0.76 0.77 0.00 0.00 0.00 0.00 173.10 173.31 2i50 n GLY 66 N 2.88 1.23 0.33 0.00 0.00 0.11 -1.50 105.19 108.24 2i50 n GLY 66 Ca -0.00 -1.54 0.18 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.53 1.61 3.08 -1.94 -1.78 114.38 114.81 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 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2i50 n ASN 68 N -3.64 2.77 -4.78 7.04 4.13 -1.26 -4.88 115.26 114.64 2i50 n ASN 68 Ca 0.00 -2.17 -0.23 0.00 1.68 0.00 0.00 54.58 53.86 2i50 n ASN 68 Cb 0.29 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.08 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 -0.83 4.64 0.25 6.41 1.04 -0.67 -4.53 113.70 120.01 2i50 s SER 69 Ca 0.30 -0.95 0.13 0.00 0.48 0.00 0.00 55.95 55.91 2i50 s SER 69 Cb 0.18 -0.53 0.17 0.00 0.10 0.00 0.00 66.02 65.93 2i50 s SER 69 CO 0.16 -0.55 1.48 0.06 0.98 0.00 0.00 173.24 175.38 2i50 h GLN 70 N 1.32 0.00 0.00 4.02 3.07 -1.89 -3.35 115.11 118.28 2i50 h GLN 70 Ca -0.42 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.03 2i50 h GLN 70 Cb 1.26 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.76 2i50 h GLN 70 CO 0.66 0.63 -2.09 0.39 0.09 0.00 0.00 178.83 178.50 2i50 n GLU 71 N -3.40 1.09 -3.29 0.06 -0.58 -1.26 -5.04 120.64 108.22 2i50 n GLU 71 Ca 0.01 0.04 -0.16 0.00 -0.42 0.00 0.00 57.16 56.63 2i50 n GLU 71 Cb 0.73 -1.40 0.07 0.00 -0.57 0.00 0.00 31.44 30.27 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 -2.77 -2.85 0.23 3.49 6.02 -1.26 -4.74 117.38 115.51 2i50 n GLN 72 Ca -0.29 0.85 0.07 0.00 -0.01 0.00 0.00 57.00 57.62 2i50 n GLN 72 Cb 0.96 -5.79 0.58 0.00 1.02 0.00 0.00 30.24 27.00 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 -1.22 0.04 -0.64 1.08 3.86 -1.53 0.82 115.15 117.54 2i50 h HIS 73 Ca -0.61 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.51 2i50 h HIS 73 Cb 1.32 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.75 2i50 h HIS 73 CO 0.32 0.09 0.05 0.00 0.86 0.00 0.00 177.93 179.25 2i50 h ALA 74 N 1.92 0.88 -0.15 2.45 0.00 -1.54 0.23 119.26 123.04 2i50 h ALA 74 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2i50 h ALA 74 Cb 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2i50 h ALA 74 CO 0.01 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.75 2i50 h LEU 75 N 1.01 0.35 -1.94 0.00 -0.00 -1.40 -1.36 115.31 111.96 2i50 h LEU 75 Ca 0.19 -0.45 -0.01 0.00 -0.00 0.00 0.00 57.88 57.61 2i50 h LEU 75 Cb 0.50 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2i50 h LEU 75 CO 0.02 0.73 -0.03 0.11 -0.00 0.00 0.00 178.44 179.27 2i50 h LYS 76 N -0.02 0.00 -0.15 1.13 1.57 -0.76 0.49 116.57 118.84 2i50 h LYS 76 Ca 0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 2i50 h LYS 76 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2i50 h LYS 76 CO 0.03 0.03 -0.44 1.25 -0.57 0.00 0.00 179.45 179.76 2i50 h HIS 77 N 0.00 0.41 -0.10 -1.35 2.76 0.14 0.35 115.15 117.36 2i50 h HIS 77 Ca -0.00 -0.12 -0.18 0.00 -2.20 0.00 0.00 60.37 57.87 2i50 h HIS 77 Cb 0.06 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2i50 h HIS 77 CO 0.00 0.73 -0.69 -0.92 -1.30 0.00 0.00 177.93 175.75 2i50 h TYR 78 N 0.29 0.60 -0.00 5.26 3.20 -0.27 -3.03 116.97 123.02 2i50 h TYR 78 Ca 0.02 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2i50 h TYR 78 Cb 0.89 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2i50 h TYR 78 CO 0.02 1.00 -0.02 1.28 -1.64 0.00 0.00 178.16 178.80 2i50 n LEU 79 N -3.87 0.31 -4.69 2.82 4.77 0.07 -4.76 117.00 111.65 2i50 n LEU 79 Ca -0.04 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 2i50 n LEU 79 Cb 0.68 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 2i50 n LEU 79 CO 0.48 0.05 1.00 -0.89 -1.33 0.00 0.00 177.39 176.70 2i50 s THR 80 N -2.16 4.07 -0.08 -5.08 2.01 0.12 -4.97 115.64 109.55 2i50 s THR 80 Ca 0.41 1.42 -0.30 0.00 0.31 0.00 0.00 61.69 63.53 2i50 s THR 80 Cb 0.21 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2i50 s THR 80 CO 0.40 0.00 1.39 -2.16 -0.69 0.00 0.00 174.62 173.56 2i50 s PRO 81 N 2.22 4.24 0.22 4.92 0.04 -1.26 -4.96 135.00 140.41 2i50 s PRO 81 Ca 0.58 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 63.33 2i50 s PRO 81 Cb -0.27 -3.75 0.02 0.00 0.04 0.00 0.00 34.50 30.54 2i50 s PRO 81 CO 0.24 -0.68 0.52 -0.98 0.04 0.00 0.00 177.00 176.14 2i50 s ARG 82 N 3.21 1.46 0.46 4.56 1.70 -1.26 -5.04 118.95 124.04 2i50 s ARG 82 Ca 0.62 -0.98 0.26 0.00 -0.47 0.00 0.00 55.73 55.15 2i50 s ARG 82 Cb -0.27 0.51 0.76 0.00 -0.57 0.00 0.00 34.95 35.37 2i50 s ARG 82 CO 0.22 -0.62 1.76 0.77 -1.08 0.00 0.00 175.30 176.35 2i50 h SER 83 N 2.21 0.00 -2.43 -2.89 0.02 -2.05 -3.44 113.55 104.97 2i50 h SER 83 Ca -0.27 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.14 2i50 h SER 83 Cb 1.26 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 2i50 h SER 83 CO 0.36 0.09 -0.55 -1.61 -1.14 0.00 0.00 176.83 173.97 2i50 s GLU 84 N -3.41 2.87 -0.07 3.45 2.02 -1.26 -5.06 118.70 117.24 2i50 s GLU 84 Ca 0.04 -1.00 -0.25 0.00 0.02 0.00 0.00 54.97 53.78 2i50 s GLU 84 Cb 0.07 -2.57 -0.21 0.00 0.10 0.00 0.00 34.13 31.53 2i50 s GLU 84 CO 0.63 0.43 0.98 -1.00 0.02 0.00 0.00 175.26 176.33 2i50 h PRO 85 N 1.93 -0.05 -6.04 0.39 0.13 -1.86 -3.48 132.00 123.01 2i50 h PRO 85 Ca -0.48 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.23 2i50 h PRO 85 Cb 1.22 0.01 0.06 0.00 0.13 0.00 0.00 31.00 32.43 2i50 h PRO 85 CO 0.62 0.58 -0.74 0.72 -0.23 0.00 0.00 178.00 178.95 2i50 n HIS 86 N -4.79 -2.48 -0.08 1.56 8.25 -1.26 -4.79 115.22 111.62 2i50 n HIS 86 Ca -0.09 0.95 0.10 0.00 -0.26 0.00 0.00 57.72 58.42 2i50 n HIS 86 Cb 0.32 -4.55 0.29 0.00 1.12 0.00 0.00 29.99 27.17 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 -1.08 2.46 0.02 0.00 1.43 -1.26 -1.27 118.68 118.98 2i50 s LEU 88 Ca 0.43 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2i50 s LEU 88 Cb 0.23 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2i50 s LEU 88 CO 0.28 0.04 -0.06 0.68 0.23 0.00 0.00 176.35 177.53 2i50 s VAL 89 N 1.09 0.39 0.15 -1.59 -7.23 -0.70 0.45 120.40 112.96 2i50 s VAL 89 Ca -0.00 -0.62 0.06 0.00 -1.81 0.00 0.00 61.98 59.61 2i50 s VAL 89 Cb -0.14 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 2i50 s VAL 89 CO -0.04 -0.16 0.01 -1.48 -0.31 0.00 0.00 175.10 173.12 2i50 s LEU 90 N -0.84 3.40 -0.04 1.32 0.05 0.10 0.18 118.68 122.86 2i50 s LEU 90 Ca -0.05 -0.32 -0.16 0.00 0.05 0.00 0.00 54.13 53.66 2i50 s LEU 90 Cb -0.06 -2.07 -0.05 0.00 -2.05 0.00 0.00 46.19 41.96 2i50 s LEU 90 CO -0.00 0.11 0.43 -0.94 -0.55 0.00 0.00 176.35 175.39 2i50 s SER 91 N -2.81 6.76 -0.07 1.48 1.04 0.91 0.13 113.70 121.14 2i50 s SER 91 Ca 0.27 0.90 0.08 0.00 0.48 0.00 0.00 55.95 57.68 2i50 s SER 91 Cb -0.10 -2.26 0.35 0.00 0.10 0.00 0.00 66.02 64.11 2i50 s SER 91 CO 0.19 0.21 1.14 0.18 0.98 0.00 0.00 173.24 175.94 2i50 n LEU 92 N 2.49 2.64 -0.01 2.42 4.77 0.94 -2.18 117.00 128.06 2i50 n LEU 92 Ca -0.12 -1.33 -0.03 0.00 -0.03 0.00 0.00 56.01 54.50 2i50 n LEU 92 Cb 0.52 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2i50 n LEU 92 CO 0.39 0.43 -0.22 0.47 -1.33 0.00 0.00 177.39 177.14 2i50 n ASP 93 N 0.37 0.93 -0.20 -1.43 9.92 -1.26 -4.77 116.55 120.11 2i50 n ASP 93 Ca 0.12 0.14 0.08 0.00 -0.53 0.00 0.00 54.79 54.61 2i50 n ASP 93 Cb 0.53 -0.44 -0.05 0.00 -0.64 0.00 0.00 41.12 40.52 2i50 n ASP 93 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2i50 n ASN 94 N -3.40 1.26 -3.40 -2.24 3.02 -1.26 -4.98 115.26 104.26 2i50 n ASN 94 Ca -0.04 -1.13 -0.19 0.00 -0.03 0.00 0.00 54.58 53.19 2i50 n ASN 94 Cb 0.16 0.74 0.07 0.00 -0.61 0.00 0.00 39.78 40.14 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2i50 n TRP 95 N -0.76 -2.26 -4.19 3.10 7.02 -0.93 -5.03 117.44 114.39 2i50 n TRP 95 Ca 0.05 0.82 -0.27 0.00 -1.02 0.00 0.00 57.50 57.07 2i50 n TRP 95 Cb 0.32 -4.27 -0.05 0.00 -2.42 0.00 0.00 31.31 24.89 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 -3.73 4.44 0.05 -0.99 0.01 -1.25 -4.88 113.70 107.35 2i50 s SER 96 Ca 0.31 -1.29 0.08 0.00 1.31 0.00 0.00 55.95 56.35 2i50 s SER 96 Cb -0.06 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 2i50 s SER 96 CO 0.76 -0.85 -0.20 -0.69 0.41 0.00 0.00 173.24 172.67 2i50 s VAL 97 N -2.74 2.66 -0.03 3.43 1.01 -1.25 -0.06 120.40 123.42 2i50 s VAL 97 Ca 0.29 -1.27 0.05 0.00 0.00 0.00 0.00 61.98 61.05 2i50 s VAL 97 Cb 0.01 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2i50 s VAL 97 CO 0.17 0.32 -0.17 0.86 0.00 0.00 0.00 175.10 176.27 2i50 s TRP 98 N -0.92 1.66 -0.20 5.22 -0.11 0.13 0.23 118.94 124.95 2i50 s TRP 98 Ca 0.14 -0.40 0.01 0.00 1.22 0.00 0.00 56.10 57.07 2i50 s TRP 98 Cb -0.10 -1.10 0.04 0.00 -1.50 0.00 0.00 33.47 30.80 2i50 s TRP 98 CO 0.05 -0.10 -0.15 0.00 -4.62 0.00 0.00 176.95 172.13 2i50 h TYR 100 N 7.91 0.30 0.00 0.00 0.05 -1.48 0.51 116.97 124.25 2i50 h TYR 100 Ca -0.34 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.37 2i50 h TYR 100 Cb 1.10 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.77 2i50 h TYR 100 CO 0.53 0.56 -0.33 1.55 -1.05 0.00 0.00 178.16 179.42 2i50 n VAL 101 N -4.10 0.03 -0.07 -2.88 3.14 -1.26 -2.74 118.33 110.45 2i50 n VAL 101 Ca -0.01 -0.02 -0.10 0.00 -2.96 0.00 0.00 64.34 61.25 2i50 n VAL 101 Cb 0.42 -0.03 -0.15 0.00 -1.06 0.00 0.00 33.84 33.02 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 -2.90 -3.47 -2.99 0.00 2.03 0.17 -5.01 116.55 104.39 2i50 n ASP 103 Ca -0.28 -0.66 -0.08 0.00 0.52 0.00 0.00 54.79 54.29 2i50 n ASP 103 Cb 1.11 -5.08 0.02 0.00 -0.72 0.00 0.00 41.12 36.45 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 -4.05 0.00 -0.20 1.67 4.22 -1.19 -5.04 114.94 110.36 2i50 s ASN 104 Ca 0.15 -1.08 -0.21 0.00 -2.14 0.00 0.00 52.86 49.58 2i50 s ASN 104 Cb -0.02 0.80 -0.02 0.00 1.28 0.00 0.00 41.25 43.29 2i50 s ASN 104 CO 0.74 -1.59 0.65 -0.70 -2.04 0.00 0.00 177.10 174.15 2i50 s GLU 105 N -2.29 4.21 0.47 3.55 2.12 -1.26 -1.76 118.70 123.74 2i50 s GLU 105 Ca 0.16 0.65 -0.12 0.00 0.36 0.00 0.00 54.97 56.02 2i50 s GLU 105 Cb -0.05 -3.58 -0.07 0.00 0.26 0.00 0.00 34.13 30.69 2i50 s GLU 105 CO 0.11 -0.26 0.87 0.08 -0.54 0.00 0.00 175.26 175.51 2i50 s VAL 106 N 1.98 4.70 0.00 3.70 1.01 0.14 -4.96 120.40 126.96 2i50 s VAL 106 Ca 0.29 0.83 0.08 0.00 0.00 0.00 0.00 61.98 63.18 2i50 s VAL 106 Cb -0.16 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2i50 s VAL 106 CO 0.10 -0.66 -0.25 0.00 0.00 0.00 0.00 175.10 174.30 2i50 s GLN 107 N -4.10 2.05 0.16 2.72 -2.07 -1.26 -3.91 119.66 113.24 2i50 s GLN 107 Ca 0.54 -0.97 -0.25 0.00 -1.82 0.00 0.00 55.36 52.86 2i50 s GLN 107 Cb -0.10 -2.06 0.06 0.00 -1.09 0.00 0.00 33.01 29.82 2i50 s GLN 107 CO 0.34 0.55 0.97 1.52 -1.32 0.00 0.00 175.29 177.35 2i50 s TYR 108 N -0.70 -0.11 0.21 9.60 1.13 -1.26 -4.81 117.35 121.41 2i50 s TYR 108 Ca 0.11 -0.20 -0.10 0.00 -1.41 0.00 0.00 57.07 55.46 2i50 s TYR 108 Cb -0.10 0.65 -0.01 0.00 -1.10 0.00 0.00 41.96 41.40 2i50 s TYR 108 CO 0.00 -0.83 0.37 0.00 -2.51 0.00 0.00 175.55 172.58 2i50 n SER 110 N -0.31 0.08 -0.06 0.00 7.64 -1.26 -1.24 113.62 118.47 2i50 n SER 110 Ca -0.04 0.52 -0.15 0.00 1.01 0.00 0.00 58.87 60.21 2i50 n SER 110 Cb 0.63 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 2i50 n SER 110 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2i50 h SER 111 N 0.00 0.96 -3.99 6.43 0.87 -1.96 -3.36 113.55 112.51 2i50 h SER 111 Ca 0.00 -0.55 -0.46 0.00 -1.23 0.00 0.00 61.79 59.56 2i50 h SER 111 Cb 0.24 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2i50 h SER 111 CO 0.00 1.35 0.35 0.20 -0.53 0.00 0.00 176.83 178.20 2i50 s ASN 112 N -6.99 7.04 0.43 6.23 -0.87 -0.37 -4.88 114.94 115.52 2i50 s ASN 112 Ca -0.10 1.78 0.10 0.00 -1.57 0.00 0.00 52.86 53.07 2i50 s ASN 112 Cb 0.10 -2.56 0.95 0.00 -0.02 0.00 0.00 41.25 39.72 2i50 s ASN 112 CO 0.89 -0.29 2.03 -0.61 -2.57 0.00 0.00 177.10 176.55 2i50 h GLN 113 N 2.39 0.45 -0.57 -0.60 4.15 -1.87 0.76 115.11 119.83 2i50 h GLN 113 Ca -0.48 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 58.83 2i50 h GLN 113 Cb 1.19 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 2i50 h GLN 113 CO 0.62 0.30 0.05 1.25 -1.93 0.00 0.00 178.83 179.12 2i50 h LEU 114 N 0.47 0.94 -0.33 -2.39 5.85 -1.92 0.34 115.31 118.26 2i50 h LEU 114 Ca 0.20 -0.28 -0.17 0.00 0.84 0.00 0.00 57.88 58.47 2i50 h LEU 114 Cb 0.22 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2i50 h LEU 114 CO -0.05 0.98 -0.44 1.23 -0.34 0.00 0.00 178.44 179.82 2i50 h GLY 115 N 0.85 0.97 0.75 3.75 0.00 -1.00 -0.84 103.07 107.55 2i50 h GLY 115 Ca 0.17 -1.05 0.06 0.00 0.00 0.00 0.00 47.33 46.50 2i50 h GLY 115 CO 0.02 0.95 0.57 1.46 0.00 0.00 0.00 176.54 179.54 2i50 h GLN 116 N 0.68 1.02 -0.04 4.80 4.20 -0.54 0.16 115.11 125.39 2i50 h GLN 116 Ca 0.04 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 2i50 h GLN 116 Cb 1.04 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2i50 h GLN 116 CO 0.10 0.67 -0.28 0.28 -0.67 0.00 0.00 178.83 178.94 2i50 h VAL 117 N 1.05 1.47 -0.97 -0.54 2.07 -0.80 -0.61 116.25 117.92 2i50 h VAL 117 Ca 0.39 -1.79 0.14 0.00 0.82 0.00 0.00 66.70 66.26 2i50 h VAL 117 Cb 0.14 2.49 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 2i50 h VAL 117 CO -0.16 0.50 0.61 0.58 0.02 0.00 0.00 177.57 179.12 2i50 h VAL 118 N -0.31 0.85 -0.29 2.57 2.07 -0.80 0.49 116.25 120.83 2i50 h VAL 118 Ca -0.02 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2i50 h VAL 118 Cb 0.96 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2i50 h VAL 118 CO 0.06 0.16 0.02 -0.78 0.02 0.00 0.00 177.57 177.05 2i50 h ASP 119 N 0.85 0.49 -0.31 0.57 3.58 -0.58 0.20 116.42 121.21 2i50 h ASP 119 Ca 0.50 -0.28 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 2i50 h ASP 119 Cb 0.65 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2i50 h ASP 119 CO -0.27 0.65 -0.06 0.22 -2.88 0.00 0.00 179.24 176.91 2i50 h TYR 120 N 0.31 0.66 0.00 0.28 3.20 0.28 -0.96 116.97 120.74 2i50 h TYR 120 Ca 0.09 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 2i50 h TYR 120 Cb 0.39 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2i50 h TYR 120 CO 0.03 0.76 -0.44 0.28 -1.64 0.00 0.00 178.16 177.15 2i50 h VAL 121 N 0.37 1.16 -0.34 1.81 2.07 0.03 0.39 116.25 121.74 2i50 h VAL 121 Ca 0.08 -1.58 -0.12 0.00 0.82 0.00 0.00 66.70 65.89 2i50 h VAL 121 Cb 0.54 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2i50 h VAL 121 CO 0.03 0.43 -0.29 -0.09 0.02 0.00 0.00 177.57 177.67 2i50 h ARG 122 N 0.00 0.72 0.00 1.57 2.43 -0.24 -0.92 114.38 117.94 2i50 h ARG 122 Ca -0.00 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 2i50 h ARG 122 Cb 0.85 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2i50 h ARG 122 CO 0.06 0.93 -0.21 0.87 -1.51 0.00 0.00 179.97 180.11 2i50 h LYS 123 N 0.62 0.00 -0.04 0.20 1.79 0.38 0.18 116.57 119.70 2i50 h LYS 123 Ca 0.07 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 2i50 h LYS 123 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2i50 h LYS 123 CO 0.07 0.21 -0.08 1.96 -1.08 0.00 0.00 179.45 180.52 2i50 h GLN 124 N 0.00 0.12 -0.22 3.15 1.08 0.19 -3.28 115.11 116.15 2i50 h GLN 124 Ca -0.00 -0.08 -0.19 0.00 -1.45 0.00 0.00 58.65 56.93 2i50 h GLN 124 Cb 0.42 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2i50 h GLN 124 CO 0.03 0.68 -0.62 0.00 -0.95 0.00 0.00 178.83 177.97 2i50 h ALA 125 N 0.44 0.49 0.00 3.87 0.00 -1.08 -3.51 119.26 119.47 2i50 h ALA 125 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2i50 h ALA 125 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2i50 h ALA 125 CO 0.02 0.69 0.00 0.45 0.00 0.00 0.00 179.25 180.41