#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i50 n VAL 6 N 0.00 -4.22 -3.53 0.52 3.14 -1.26 -4.83 118.33 108.14 2i50 n VAL 6 Ca 0.00 1.97 -0.41 0.00 -2.96 0.00 0.00 64.34 62.94 2i50 n VAL 6 Cb 0.00 -2.83 -0.07 0.00 -1.06 0.00 0.00 33.84 29.88 2i50 n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i50 n ARG 8 N 4.20 2.56 -0.40 0.00 5.12 -1.26 -4.41 116.66 122.47 2i50 n ARG 8 Ca 0.03 -3.01 0.08 0.00 -1.93 0.00 0.00 57.85 53.02 2i50 n ARG 8 Cb 0.42 -1.89 0.24 0.00 -1.16 0.00 0.00 32.46 30.07 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 -0.74 0.88 -0.01 -1.55 8.25 -1.26 -4.46 115.22 116.33 2i50 n HIS 9 Ca 0.30 -0.75 -0.13 0.00 -0.26 0.00 0.00 57.72 56.88 2i50 n HIS 9 Cb 1.04 -0.24 -0.09 0.00 1.12 0.00 0.00 29.99 31.82 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 2.07 1.35 0.00 1.59 1.08 -1.95 0.31 117.51 121.95 2i50 h ILE 10 Ca 0.00 -1.04 -0.08 0.00 -0.39 0.00 0.00 64.86 63.35 2i50 h ILE 10 Cb 1.27 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 37.03 2i50 h ILE 10 CO 0.17 0.27 -0.39 0.03 -0.69 0.00 0.00 178.15 177.55 2i50 h ARG 11 N -0.40 0.00 0.04 2.37 3.08 -1.78 0.55 114.38 118.25 2i50 h ARG 11 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.81 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 0.00 0.39 -1.21 0.87 -1.07 0.00 0.00 179.97 178.95 2i50 h LYS 12 N 0.00 0.09 -0.01 0.04 1.57 -1.76 -3.33 116.57 113.17 2i50 h LYS 12 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2i50 h LYS 12 Cb 0.80 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2i50 h LYS 12 CO 0.05 1.00 -0.64 0.41 -0.57 0.00 0.00 179.45 179.70 2i50 n GLY 13 N 1.46 -0.36 2.87 3.86 0.00 0.11 -4.30 105.19 108.82 2i50 n GLY 13 Ca -0.06 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.58 1.11 -0.38 0.99 0.20 0.17 -1.32 118.68 116.87 2i50 s LEU 14 Ca 0.12 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.81 2i50 s LEU 14 Cb 0.15 -0.52 0.11 0.00 -0.43 0.00 0.00 46.19 45.50 2i50 s LEU 14 CO 0.63 -0.10 0.15 -0.70 -0.29 0.00 0.00 176.35 176.04 2i50 s GLU 15 N 1.32 1.21 0.33 1.98 -6.30 -0.94 -4.42 118.70 111.88 2i50 s GLU 15 Ca -0.04 -1.73 0.07 0.00 -2.50 0.00 0.00 54.97 50.76 2i50 s GLU 15 Cb -0.14 -2.52 0.74 0.00 0.00 0.00 0.00 34.13 32.22 2i50 s GLU 15 CO -0.02 -1.05 1.84 1.96 0.02 0.00 0.00 175.26 178.01 2i50 h GLN 16 N 7.36 0.76 0.35 4.30 4.20 -1.88 -2.94 115.11 127.26 2i50 h GLN 16 Ca -0.07 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2i50 h GLN 16 Cb 0.97 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2i50 h GLN 16 CO 0.51 0.50 -0.17 0.78 -0.67 0.00 0.00 178.83 179.79 2i50 h GLY 17 N 0.78 -0.49 2.00 3.46 0.00 -1.95 -2.42 103.07 104.47 2i50 h GLY 17 Ca 0.49 0.18 0.00 0.00 0.00 0.00 0.00 47.33 48.00 2i50 h GLY 17 CO -0.26 -0.18 0.00 3.45 0.00 0.00 0.00 176.54 179.56 2i50 h ASN 18 N -0.48 0.00 0.11 0.19 -0.00 -1.85 -3.18 115.58 110.38 2i50 h ASN 18 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.25 2i50 h ASN 18 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 2i50 h ASN 18 CO 0.08 0.00 -0.05 -0.07 -0.00 0.00 0.00 177.43 177.38 2i50 h LEU 19 N 0.00 -0.13 -1.10 6.14 -0.00 -1.26 -1.39 115.31 117.58 2i50 h LEU 19 Ca 0.00 -0.03 0.10 0.00 -0.00 0.00 0.00 57.88 57.95 2i50 h LEU 19 Cb 0.64 0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.26 2i50 h LEU 19 CO 0.00 -0.06 0.61 0.11 -0.00 0.00 0.00 178.44 179.10 2i50 h LYS 20 N -0.19 0.96 0.00 1.13 6.56 -1.50 0.99 116.57 124.51 2i50 h LYS 20 Ca -0.02 -0.06 -0.08 0.00 -1.06 0.00 0.00 60.65 59.43 2i50 h LYS 20 Cb 0.15 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.58 2i50 h LYS 20 CO 0.03 0.63 -0.44 0.87 -2.06 0.00 0.00 179.45 178.48 2i50 h LYS 21 N 0.99 0.00 0.18 3.15 1.57 -1.63 -2.88 116.57 117.95 2i50 h LYS 21 Ca 0.45 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.94 2i50 h LYS 21 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.72 2i50 h LYS 21 CO -0.21 0.37 -1.37 0.00 -0.57 0.00 0.00 179.45 177.68 2i50 h ALA 22 N 1.62 0.00 0.00 3.86 0.00 -0.10 -3.32 119.26 121.32 2i50 h ALA 22 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2i50 h ALA 22 Cb 1.30 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2i50 h ALA 22 CO 0.05 0.72 0.00 1.28 0.00 0.00 0.00 179.25 181.30 2i50 n LEU 23 N -3.84 0.00 -0.13 0.00 4.77 0.23 -1.12 117.00 116.91 2i50 n LEU 23 Ca -0.20 0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 2i50 n LEU 23 Cb 0.98 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2i50 n LEU 23 CO 0.51 -0.18 0.93 0.58 -1.33 0.00 0.00 177.39 177.90 2i50 h VAL 24 N 0.00 1.19 -0.45 4.08 2.07 -1.60 -3.29 116.25 118.25 2i50 h VAL 24 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2i50 h VAL 24 Cb 0.29 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2i50 h VAL 24 CO 0.00 0.20 0.00 0.59 0.02 0.00 0.00 177.57 178.38 2i50 n ASN 25 N -4.67 3.56 -4.83 0.57 3.02 -0.28 -4.98 115.26 107.66 2i50 n ASN 25 Ca -0.00 -2.00 -0.32 0.00 -0.03 0.00 0.00 54.58 52.23 2i50 n ASN 25 Cb 0.13 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.42 4.14 -0.40 2.41 -7.23 -1.08 -5.02 120.40 111.80 2i50 s VAL 26 Ca 0.41 0.81 -0.04 0.00 -1.81 0.00 0.00 61.98 61.35 2i50 s VAL 26 Cb 0.23 -3.51 0.10 0.00 0.56 0.00 0.00 36.38 33.77 2i50 s VAL 26 CO 0.32 -0.79 0.19 -1.83 -0.31 0.00 0.00 175.10 172.68 2i50 s GLU 27 N -4.70 2.15 0.14 4.82 1.03 -1.26 -5.07 118.70 115.82 2i50 s GLU 27 Ca 0.59 -1.70 -0.31 0.00 0.03 0.00 0.00 54.97 53.58 2i50 s GLU 27 Cb -0.14 -3.56 -0.10 0.00 -0.80 0.00 0.00 34.13 29.53 2i50 s GLU 27 CO 0.47 -1.00 1.75 -1.58 -1.33 0.00 0.00 175.26 173.58 2i50 s TRP 28 N 1.20 2.46 -0.44 4.83 0.52 -1.26 -2.01 118.94 124.23 2i50 s TRP 28 Ca 0.06 0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.35 2i50 s TRP 28 Cb -0.22 -4.12 0.00 0.00 -1.15 0.00 0.00 33.47 27.98 2i50 s TRP 28 CO -0.03 -4.46 0.00 -1.71 0.02 0.00 0.00 176.95 170.77 2i50 n ASN 29 N 5.08 -3.87 -3.99 2.95 4.05 -1.26 -4.97 115.26 113.24 2i50 n ASN 29 Ca 0.17 0.10 -0.31 0.00 0.45 0.00 0.00 54.58 54.99 2i50 n ASN 29 Cb 0.38 -1.74 -0.16 0.00 1.23 0.00 0.00 39.78 39.49 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 -2.03 1.74 -0.36 -1.44 1.01 -0.85 -4.88 121.20 114.38 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 -1.90 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 2i50 s ILE 30 CO 0.00 0.01 2.30 0.00 0.00 0.00 0.00 174.94 177.25 2i50 h GLN 32 N 15.81 0.00 0.00 0.00 4.20 -1.43 0.23 115.11 133.93 2i50 h GLN 32 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2i50 h GLN 32 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2i50 h GLN 32 CO 1.05 0.03 0.00 -3.47 -0.67 0.00 0.00 178.83 175.77 2i50 n ASP 33 N -3.99 0.79 0.07 1.46 2.03 -1.17 -3.08 116.55 112.66 2i50 n ASP 33 Ca -0.03 0.60 -0.20 0.00 0.52 0.00 0.00 54.79 55.69 2i50 n ASP 33 Cb 0.12 -0.80 -0.15 0.00 -0.72 0.00 0.00 41.12 39.57 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 0.09 0.00 -0.12 0.00 2.10 -1.41 -0.70 116.57 116.53 2i50 h LYS 35 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2i50 h LYS 35 Cb 2.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.39 2i50 h LYS 35 CO 0.17 0.15 0.00 0.25 -2.00 0.00 0.00 179.45 178.02 2i50 n THR 36 N -3.45 0.16 -2.98 0.07 -2.24 -1.23 -4.32 114.28 100.28 2i50 n THR 36 Ca -0.01 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 2i50 n THR 36 Cb 0.32 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 2i50 n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2i50 n ASP 37 N -0.14 5.95 -3.54 3.42 2.03 -0.27 -4.86 116.55 119.14 2i50 n ASP 37 Ca 0.11 -3.25 -0.40 0.00 0.52 0.00 0.00 54.79 51.76 2i50 n ASP 37 Cb 0.17 -1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 39.22 2i50 n ASP 37 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2i50 n ASN 38 N 2.29 7.40 -0.05 1.67 2.85 -1.26 -3.13 115.26 125.03 2i50 n ASN 38 Ca 0.28 -3.01 -0.07 0.00 -0.11 0.00 0.00 54.58 51.67 2i50 n ASN 38 Cb 0.36 -1.44 -0.05 0.00 1.24 0.00 0.00 39.78 39.89 2i50 n ASN 38 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2i50 n LYS 39 N 2.70 0.28 -3.59 1.20 5.02 -1.26 -5.02 118.16 117.50 2i50 n LYS 39 Ca 0.61 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.72 2i50 n LYS 39 Cb 0.27 -1.20 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 2i50 n LYS 39 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2i50 s VAL 40 N -2.20 1.90 -0.13 -0.18 -7.23 -1.18 -5.07 120.40 106.31 2i50 s VAL 40 Ca -0.14 -1.32 -0.27 0.00 -1.81 0.00 0.00 61.98 58.44 2i50 s VAL 40 Cb 0.04 -2.23 -0.24 0.00 0.56 0.00 0.00 36.38 34.51 2i50 s VAL 40 CO 0.24 0.00 0.75 0.11 -0.31 0.00 0.00 175.10 175.88 2i50 h LYS 41 N 0.60 -0.00 -4.04 4.82 1.79 -1.96 -3.48 116.57 114.30 2i50 h LYS 41 Ca -0.35 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.99 2i50 h LYS 41 Cb 1.29 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.82 2i50 h LYS 41 CO 0.52 0.90 -0.35 -0.51 -1.08 0.00 0.00 179.45 178.93 2i50 s ASP 42 N -6.14 0.04 0.00 0.86 1.11 -1.26 -5.01 116.67 106.27 2i50 s ASP 42 Ca -0.18 -1.06 0.03 0.00 0.18 0.00 0.00 52.55 51.53 2i50 s ASP 42 Cb -0.03 0.47 0.09 0.00 1.07 0.00 0.00 42.92 44.52 2i50 s ASP 42 CO 0.64 -0.96 1.00 0.29 1.18 0.00 0.00 175.17 177.32 2i50 n LYS 43 N -0.29 2.35 0.14 8.23 4.76 -1.26 -4.57 118.16 127.53 2i50 n LYS 43 Ca -0.02 -1.50 -0.14 0.00 -2.87 0.00 0.00 58.31 53.77 2i50 n LYS 43 Cb 0.63 -1.08 -0.08 0.00 -1.84 0.00 0.00 35.03 32.66 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i50 h ALA 44 N 0.65 -0.35 -1.02 7.82 0.00 -1.96 -3.46 119.26 120.93 2i50 h ALA 44 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 54.91 54.35 2i50 h ALA 44 Cb 0.50 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.26 2i50 h ALA 44 CO 0.00 -0.58 -0.37 0.39 0.00 0.00 0.00 179.25 178.69 2i50 n GLU 45 N -5.14 -1.45 -2.75 0.00 -0.58 -1.26 -4.85 120.64 104.61 2i50 n GLU 45 Ca -0.09 1.18 -0.43 0.00 -0.42 0.00 0.00 57.16 57.39 2i50 n GLU 45 Cb 0.23 -5.56 -0.00 0.00 -0.57 0.00 0.00 31.44 25.54 2i50 n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2i50 s GLU 46 N -3.68 3.97 0.04 3.49 -1.05 -1.26 -3.90 118.70 116.30 2i50 s GLU 46 Ca 0.00 -2.13 0.00 0.00 -0.15 0.00 0.00 54.97 52.69 2i50 s GLU 46 Cb 0.00 -5.29 0.00 0.00 -0.44 0.00 0.00 34.13 28.40 2i50 s GLU 46 CO 0.00 -2.03 0.00 -0.85 0.95 0.00 0.00 175.26 173.33 2i50 n GLU 47 N 7.23 0.00 -0.06 -4.83 0.28 -1.26 -5.00 120.64 117.00 2i50 n GLU 47 Ca 0.41 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.39 2i50 n GLU 47 Cb 0.45 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.32 2i50 n GLU 47 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2i50 h THR 48 N 0.00 0.00 -1.72 3.84 2.02 -2.01 -3.50 112.91 111.53 2i50 h THR 48 Ca 0.00 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2i50 h THR 48 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2i50 h THR 48 CO 0.00 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.27 2i50 n GLU 49 N -4.68 0.00 -2.30 6.66 -0.58 -1.26 -5.09 120.64 113.41 2i50 n GLU 49 Ca -0.04 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.68 2i50 n GLU 49 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 2i50 n GLU 49 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2i50 n GLU 50 N 0.00 -1.86 -3.90 3.49 1.02 -1.26 -4.38 120.64 113.75 2i50 n GLU 50 Ca 0.00 1.74 -0.29 0.00 -0.02 0.00 0.00 57.16 58.59 2i50 n GLU 50 Cb 0.00 -3.91 -0.13 0.00 -0.02 0.00 0.00 31.44 27.38 2i50 n GLU 50 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2i50 s LYS 51 N -1.48 2.29 0.68 3.49 3.01 -1.26 -4.52 119.74 121.95 2i50 s LYS 51 Ca 0.07 -3.12 -0.10 0.00 -1.01 0.00 0.00 55.97 51.82 2i50 s LYS 51 Cb -0.02 -3.35 0.02 0.00 -1.01 0.00 0.00 37.83 33.47 2i50 s LYS 51 CO 0.48 -1.24 1.05 -1.25 0.51 0.00 0.00 175.35 174.91 2i50 s PRO 52 N -1.09 2.75 0.38 -1.68 0.04 -1.26 -4.97 135.00 129.17 2i50 s PRO 52 Ca 0.23 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 2i50 s PRO 52 Cb -0.11 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2i50 s PRO 52 CO -0.12 -1.01 0.74 -1.54 0.04 0.00 0.00 177.00 175.11 2i50 s SER 53 N -4.38 6.56 -0.21 6.66 1.04 -1.26 -4.92 113.70 117.19 2i50 s SER 53 Ca 0.57 1.12 0.01 0.00 0.48 0.00 0.00 55.95 58.14 2i50 s SER 53 Cb -0.11 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.72 2i50 s SER 53 CO 0.49 -0.35 -0.15 -0.69 0.98 0.00 0.00 173.24 173.53 2i50 s VAL 54 N -2.27 2.27 -0.17 5.02 1.01 -1.26 0.41 120.40 125.40 2i50 s VAL 54 Ca 0.51 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2i50 s VAL 54 Cb -0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2i50 s VAL 54 CO 0.29 0.35 0.04 0.26 0.00 0.00 0.00 175.10 176.03 2i50 s TRP 55 N 1.26 3.21 -0.23 5.22 0.52 0.13 0.03 118.94 129.07 2i50 s TRP 55 Ca 0.01 0.01 -0.10 0.00 0.02 0.00 0.00 56.10 56.04 2i50 s TRP 55 Cb -0.15 -2.04 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2i50 s TRP 55 CO -0.09 0.13 0.13 -1.17 0.02 0.00 0.00 176.95 175.97 2i50 s LEU 56 N 0.31 3.98 -0.24 2.99 2.96 0.11 -0.68 118.68 128.11 2i50 s LEU 56 Ca 0.02 0.07 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 2i50 s LEU 56 Cb -0.13 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2i50 s LEU 56 CO 0.01 0.08 1.88 0.00 -1.32 0.00 0.00 176.35 177.00 2i50 n LEU 58 N 9.94 0.00 -0.01 0.00 4.77 0.17 0.16 117.00 132.03 2i50 n LEU 58 Ca 0.23 0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 56.39 2i50 n LEU 58 Cb 0.45 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 2i50 n LEU 58 CO 0.67 -0.16 -0.47 0.50 -1.33 0.00 0.00 177.39 176.60 2i50 h LYS 59 N 0.00 0.21 0.00 3.23 1.63 -1.31 -2.50 116.57 117.82 2i50 h LYS 59 Ca 0.00 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2i50 h LYS 59 Cb 0.23 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 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 0.27 0.44 3.73 0.00 0.00 0.12 -4.67 105.19 105.08 2i50 n GLY 61 Ca 0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 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 3.72 -0.22 1.61 5.04 -1.25 -4.73 115.29 117.47 2i50 s HIS 62 Ca 0.00 1.71 -0.09 0.00 -1.54 0.00 0.00 55.06 55.13 2i50 s HIS 62 Cb 0.00 -3.15 -0.05 0.00 0.04 0.00 0.00 32.58 29.42 2i50 s HIS 62 CO 0.00 -0.16 0.12 -0.65 -2.34 0.00 0.00 174.74 171.71 2i50 s GLN 63 N -0.14 4.04 0.08 2.88 1.11 -1.26 0.01 119.66 126.38 2i50 s GLN 63 Ca 0.48 -0.29 0.05 0.00 0.01 0.00 0.00 55.36 55.60 2i50 s GLN 63 Cb -0.26 -3.41 -0.03 0.00 -1.01 0.00 0.00 33.01 28.30 2i50 s GLN 63 CO 0.32 0.16 -0.13 0.20 0.01 0.00 0.00 175.29 175.85 2i50 s GLY 64 N 0.74 0.83 0.07 3.09 0.00 0.14 -1.12 107.32 111.07 2i50 s GLY 64 Ca 0.06 -1.02 -0.27 0.00 0.00 0.00 0.00 44.72 43.49 2i50 s GLY 64 CO 0.02 -1.06 0.84 0.00 0.00 0.00 0.00 173.10 172.89 2i50 n GLY 66 N 2.34 0.34 0.06 0.00 0.00 0.17 -2.05 105.19 106.04 2i50 n GLY 66 Ca -0.01 -1.52 0.09 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 0.09 -0.56 1.61 1.74 -1.26 -2.08 116.66 116.20 2i50 n ARG 67 Ca 0.00 0.33 0.08 0.00 -0.77 0.00 0.00 57.85 57.50 2i50 n ARG 67 Cb 0.00 -1.67 0.31 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.85 4.45 -4.72 0.55 3.02 -1.26 -4.92 115.26 110.54 2i50 n ASN 68 Ca 0.03 -2.60 -0.23 0.00 -0.03 0.00 0.00 54.58 51.75 2i50 n ASN 68 Cb 0.20 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 2i50 n ASN 68 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2i50 s SER 69 N -1.16 4.80 0.29 6.41 1.04 -0.89 -4.13 113.70 120.06 2i50 s SER 69 Ca 0.46 -0.62 0.16 0.00 0.48 0.00 0.00 55.95 56.42 2i50 s SER 69 Cb 0.32 -0.90 0.09 0.00 0.10 0.00 0.00 66.02 65.62 2i50 s SER 69 CO 0.18 -0.14 1.43 -0.61 0.98 0.00 0.00 173.24 175.08 2i50 h GLN 70 N 1.66 0.00 0.09 4.02 5.75 -1.91 -3.31 115.11 121.41 2i50 h GLN 70 Ca -0.45 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 57.75 2i50 h GLN 70 Cb 1.25 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 2i50 h GLN 70 CO 0.61 0.43 -1.56 0.93 -2.65 0.00 0.00 178.83 176.60 2i50 h GLU 71 N 0.00 0.20 -6.79 1.69 4.39 -1.93 -3.48 114.58 108.65 2i50 h GLU 71 Ca -0.01 -0.34 -0.56 0.00 0.34 0.00 0.00 59.36 58.79 2i50 h GLU 71 Cb 1.35 0.13 -0.17 0.00 -0.10 0.00 0.00 28.75 29.95 2i50 h GLU 71 CO 0.06 1.03 -0.89 1.04 -1.16 0.00 0.00 179.01 179.08 2i50 n GLN 72 N -3.39 -2.40 0.25 2.33 6.02 -1.25 -4.85 117.38 114.09 2i50 n GLN 72 Ca -0.17 0.29 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 2i50 n GLN 72 Cb 1.04 -4.49 0.59 0.00 1.02 0.00 0.00 30.24 28.40 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 -1.62 0.00 -0.45 1.08 3.86 -1.79 -0.35 115.15 115.88 2i50 h HIS 73 Ca -0.62 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.47 2i50 h HIS 73 Cb 1.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.84 2i50 h HIS 73 CO 0.56 0.08 -0.19 0.00 0.86 0.00 0.00 177.93 179.25 2i50 h ALA 74 N 1.92 0.80 -0.02 2.45 0.00 -1.66 0.31 119.26 123.06 2i50 h ALA 74 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2i50 h ALA 74 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2i50 h ALA 74 CO 0.01 0.65 -0.01 -0.07 0.00 0.00 0.00 179.25 179.83 2i50 h LEU 75 N 0.79 0.05 -2.19 0.00 -0.00 -1.48 -1.40 115.31 111.08 2i50 h LEU 75 Ca 0.11 -0.43 -0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2i50 h LEU 75 Cb 0.73 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2i50 h LEU 75 CO 0.06 0.47 -0.01 0.11 -0.00 0.00 0.00 178.44 179.06 2i50 h LYS 76 N -0.37 0.00 -0.18 1.13 1.57 -1.02 0.22 116.57 117.92 2i50 h LYS 76 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 2i50 h LYS 76 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2i50 h LYS 76 CO 0.00 0.01 -0.48 1.25 -0.57 0.00 0.00 179.45 179.66 2i50 h HIS 77 N 0.00 0.56 -0.06 -1.35 2.76 0.24 0.33 115.15 117.64 2i50 h HIS 77 Ca -0.00 -0.18 -0.17 0.00 -2.20 0.00 0.00 60.37 57.82 2i50 h HIS 77 Cb 0.02 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 2i50 h HIS 77 CO 0.00 0.85 -0.72 -0.92 -1.30 0.00 0.00 177.93 175.85 2i50 h TYR 78 N 0.37 0.40 0.00 5.26 3.20 -0.16 -2.97 116.97 123.07 2i50 h TYR 78 Ca 0.02 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2i50 h TYR 78 Cb 0.98 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2i50 h TYR 78 CO 0.03 0.91 0.00 1.28 -1.64 0.00 0.00 178.16 178.75 2i50 n LEU 79 N -3.81 0.00 -4.74 2.82 4.77 -0.05 -4.77 117.00 111.22 2i50 n LEU 79 Ca -0.03 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 2i50 n LEU 79 Cb 0.70 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2i50 n LEU 79 CO 0.47 -0.01 1.17 -0.89 -1.33 0.00 0.00 177.39 176.80 2i50 s THR 80 N -2.60 2.56 -0.70 -5.08 2.01 0.11 -4.89 115.64 107.05 2i50 s THR 80 Ca 0.27 0.44 -0.26 0.00 0.31 0.00 0.00 61.69 62.45 2i50 s THR 80 Cb 0.20 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 2i50 s THR 80 CO 0.45 0.06 1.91 -2.16 -0.69 0.00 0.00 174.62 174.19 2i50 s PRO 81 N 0.19 2.58 -0.02 4.92 0.04 -1.26 -4.92 135.00 136.53 2i50 s PRO 81 Ca 0.64 0.34 0.04 0.00 0.04 0.00 0.00 61.00 62.06 2i50 s PRO 81 Cb -0.43 -4.61 -0.00 0.00 0.04 0.00 0.00 34.50 29.49 2i50 s PRO 81 CO 0.39 -2.97 -0.12 -0.98 0.04 0.00 0.00 177.00 173.36 2i50 s ARG 82 N 7.08 1.16 0.24 4.56 1.04 -1.26 -5.03 118.95 126.74 2i50 s ARG 82 Ca 0.69 -0.44 0.03 0.00 -1.04 0.00 0.00 55.73 54.97 2i50 s ARG 82 Cb -0.11 -1.08 0.27 0.00 -2.04 0.00 0.00 34.95 31.99 2i50 s ARG 82 CO 0.14 0.22 1.58 0.77 -0.04 0.00 0.00 175.30 177.97 2i50 h SER 83 N 6.10 0.36 -4.12 -2.89 0.02 -2.02 -3.43 113.55 107.56 2i50 h SER 83 Ca -0.33 -0.19 -0.47 0.00 -0.84 0.00 0.00 61.79 59.97 2i50 h SER 83 Cb 1.17 -0.10 0.14 0.00 0.14 0.00 0.00 62.40 63.74 2i50 h SER 83 CO 0.49 0.83 0.27 -1.61 -1.14 0.00 0.00 176.83 175.66 2i50 s GLU 84 N -3.92 1.11 -0.18 3.45 2.02 -1.26 -5.03 118.70 114.88 2i50 s GLU 84 Ca -0.05 0.49 -0.17 0.00 0.02 0.00 0.00 54.97 55.26 2i50 s GLU 84 Cb 0.12 -1.82 -0.21 0.00 0.10 0.00 0.00 34.13 32.32 2i50 s GLU 84 CO 0.80 -2.26 0.26 -0.35 0.02 0.00 0.00 175.26 173.73 2i50 n PRO 85 N -3.84 0.63 -3.73 0.39 -0.04 -1.26 -4.98 135.00 122.16 2i50 n PRO 85 Ca 0.06 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.72 2i50 n PRO 85 Cb 0.58 -1.74 0.04 0.00 -0.04 0.00 0.00 33.50 32.34 2i50 n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2i50 n HIS 86 N -4.13 -2.41 0.22 0.54 8.25 -1.26 -4.86 115.22 111.57 2i50 n HIS 86 Ca -0.32 0.88 0.06 0.00 -0.26 0.00 0.00 57.72 58.08 2i50 n HIS 86 Cb 0.80 -4.23 0.22 0.00 1.12 0.00 0.00 29.99 27.90 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 -1.32 1.74 0.01 0.00 1.43 -1.26 -1.12 118.68 118.16 2i50 s LEU 88 Ca 0.32 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2i50 s LEU 88 Cb 0.20 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 2i50 s LEU 88 CO 0.16 -0.07 -0.10 0.68 0.23 0.00 0.00 176.35 177.25 2i50 s VAL 89 N 1.48 0.76 0.10 -1.59 -7.23 -0.72 0.44 120.40 113.64 2i50 s VAL 89 Ca 0.04 -0.61 0.07 0.00 -1.81 0.00 0.00 61.98 59.67 2i50 s VAL 89 Cb -0.13 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2i50 s VAL 89 CO -0.10 0.06 -0.09 -1.48 -0.31 0.00 0.00 175.10 173.18 2i50 s LEU 90 N -0.62 3.09 -0.03 1.32 0.05 0.76 0.04 118.68 123.29 2i50 s LEU 90 Ca 0.01 -0.36 -0.18 0.00 0.05 0.00 0.00 54.13 53.65 2i50 s LEU 90 Cb -0.05 -1.88 -0.05 0.00 -2.05 0.00 0.00 46.19 42.16 2i50 s LEU 90 CO 0.00 0.18 0.51 -0.94 -0.55 0.00 0.00 176.35 175.55 2i50 s SER 91 N -2.21 6.85 -0.02 1.48 1.04 0.11 0.07 113.70 121.02 2i50 s SER 91 Ca 0.22 1.01 0.10 0.00 0.48 0.00 0.00 55.95 57.76 2i50 s SER 91 Cb -0.11 -2.31 0.33 0.00 0.10 0.00 0.00 66.02 64.03 2i50 s SER 91 CO 0.14 0.14 1.23 0.18 0.98 0.00 0.00 173.24 175.92 2i50 n LEU 92 N 2.70 2.18 0.00 2.42 4.77 0.10 -1.56 117.00 127.62 2i50 n LEU 92 Ca -0.09 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 2i50 n LEU 92 Cb 0.51 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2i50 n LEU 92 CO 0.42 0.47 -0.46 0.47 -1.33 0.00 0.00 177.39 176.96 2i50 n ASP 93 N 0.50 4.13 -0.00 -1.43 9.92 -1.26 -4.77 116.55 123.65 2i50 n ASP 93 Ca 0.12 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.39 2i50 n ASP 93 Cb 0.38 0.23 -0.01 0.00 -0.64 0.00 0.00 41.12 41.08 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 -2.14 2.28 -3.34 -2.24 4.13 -1.26 -5.02 115.26 107.67 2i50 n ASN 94 Ca 0.00 -0.28 -0.16 0.00 1.68 0.00 0.00 54.58 55.82 2i50 n ASN 94 Cb 0.46 1.03 0.07 0.00 -1.54 0.00 0.00 39.78 39.80 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2i50 n TRP 95 N -1.27 -2.34 -4.10 3.10 7.02 -0.60 -5.01 117.44 114.23 2i50 n TRP 95 Ca 0.00 0.87 -0.25 0.00 -1.02 0.00 0.00 57.50 57.11 2i50 n TRP 95 Cb 0.02 -4.44 -0.07 0.00 -2.42 0.00 0.00 31.31 24.40 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 -3.75 4.46 -0.01 -0.99 0.01 -1.24 -4.84 113.70 107.34 2i50 s SER 96 Ca 0.29 -1.08 0.07 0.00 1.31 0.00 0.00 55.95 56.55 2i50 s SER 96 Cb -0.04 -0.44 -0.02 0.00 0.21 0.00 0.00 66.02 65.72 2i50 s SER 96 CO 0.74 -0.57 -0.23 -0.69 0.41 0.00 0.00 173.24 172.90 2i50 s VAL 97 N -2.60 2.33 -0.07 3.43 1.01 -1.25 0.09 120.40 123.34 2i50 s VAL 97 Ca 0.41 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2i50 s VAL 97 Cb 0.03 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 2i50 s VAL 97 CO 0.23 0.52 -0.22 0.86 0.00 0.00 0.00 175.10 176.49 2i50 s TRP 98 N -0.70 2.26 -0.24 5.22 -0.11 0.11 -0.13 118.94 125.35 2i50 s TRP 98 Ca 0.11 -0.77 0.01 0.00 1.22 0.00 0.00 56.10 56.67 2i50 s TRP 98 Cb -0.10 -1.50 0.04 0.00 -1.50 0.00 0.00 33.47 30.40 2i50 s TRP 98 CO 0.00 -0.28 -0.12 0.00 -4.62 0.00 0.00 176.95 171.94 2i50 h TYR 100 N 7.89 0.00 0.00 0.00 0.05 -1.41 0.64 116.97 124.14 2i50 h TYR 100 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2i50 h TYR 100 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2i50 h TYR 100 CO 0.57 0.33 -0.53 -0.24 -1.05 0.00 0.00 178.16 177.24 2i50 h VAL 101 N 0.00 0.00 0.00 -2.88 3.04 -1.95 -3.06 116.25 111.41 2i50 h VAL 101 Ca -0.00 -0.79 -0.30 0.00 -1.01 0.00 0.00 66.70 64.59 2i50 h VAL 101 Cb 0.60 1.49 -0.05 0.00 -2.01 0.00 0.00 31.29 31.32 2i50 h VAL 101 CO 0.04 0.00 -1.81 0.00 -1.01 0.00 0.00 177.57 174.79 2i50 n ASP 103 N -3.01 -3.66 -3.04 0.00 2.03 0.22 -4.99 116.55 104.10 2i50 n ASP 103 Ca -0.19 -0.59 -0.12 0.00 0.52 0.00 0.00 54.79 54.41 2i50 n ASP 103 Cb 1.07 -5.07 -0.01 0.00 -0.72 0.00 0.00 41.12 36.39 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 -3.97 0.48 -0.10 1.67 4.22 -1.20 -5.02 114.94 111.03 2i50 s ASN 104 Ca 0.22 -1.33 -0.19 0.00 -2.14 0.00 0.00 52.86 49.42 2i50 s ASN 104 Cb -0.10 0.77 -0.04 0.00 1.28 0.00 0.00 41.25 43.16 2i50 s ASN 104 CO 0.73 -1.51 0.50 -0.70 -2.04 0.00 0.00 177.10 174.07 2i50 s GLU 105 N -2.62 4.33 0.16 3.55 2.12 -1.26 -1.76 118.70 123.22 2i50 s GLU 105 Ca 0.23 0.50 -0.02 0.00 0.36 0.00 0.00 54.97 56.04 2i50 s GLU 105 Cb -0.03 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 2i50 s GLU 105 CO 0.16 0.19 0.36 0.08 -0.54 0.00 0.00 175.26 175.51 2i50 s VAL 106 N 0.51 5.21 0.08 3.70 1.01 0.82 -4.97 120.40 126.75 2i50 s VAL 106 Ca 0.27 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.15 2i50 s VAL 106 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2i50 s VAL 106 CO 0.11 -0.04 -0.19 -1.10 0.00 0.00 0.00 175.10 173.88 2i50 s GLN 107 N -2.93 1.90 0.10 2.72 1.11 -1.26 -3.85 119.66 117.45 2i50 s GLN 107 Ca 0.39 -1.09 -0.20 0.00 0.01 0.00 0.00 55.36 54.47 2i50 s GLN 107 Cb -0.12 -2.13 0.05 0.00 -1.01 0.00 0.00 33.01 29.80 2i50 s GLN 107 CO 0.27 0.51 0.50 1.52 0.01 0.00 0.00 175.29 178.09 2i50 s TYR 108 N -1.02 -0.38 0.28 0.91 -0.85 -1.26 -4.99 117.35 110.05 2i50 s TYR 108 Ca 0.16 0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.98 2i50 s TYR 108 Cb -0.10 0.36 -0.06 0.00 0.38 0.00 0.00 41.96 42.54 2i50 s TYR 108 CO 0.07 -0.71 0.07 0.00 -1.52 0.00 0.00 175.55 173.46 2i50 n SER 110 N -0.54 0.00 0.03 0.00 7.64 -1.26 -1.87 113.62 117.61 2i50 n SER 110 Ca -0.02 0.14 -0.19 0.00 1.01 0.00 0.00 58.87 59.82 2i50 n SER 110 Cb 0.66 -0.35 -0.09 0.00 -1.01 0.00 0.00 64.21 63.42 2i50 n SER 110 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2i50 h SER 111 N 0.00 0.91 -3.84 6.43 0.02 -1.96 -3.36 113.55 111.76 2i50 h SER 111 Ca 0.00 -0.69 -0.50 0.00 -0.84 0.00 0.00 61.79 59.76 2i50 h SER 111 Cb 0.24 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 62.53 2i50 h SER 111 CO 0.00 1.49 0.47 0.21 -1.14 0.00 0.00 176.83 177.86 2i50 s ASN 112 N -7.24 7.16 0.39 3.07 3.84 -0.78 -4.88 114.94 116.50 2i50 s ASN 112 Ca -0.10 2.24 0.13 0.00 0.21 0.00 0.00 52.86 55.35 2i50 s ASN 112 Cb 0.07 -2.62 0.96 0.00 -0.55 0.00 0.00 41.25 39.12 2i50 s ASN 112 CO 0.92 -0.22 1.87 -0.61 -2.79 0.00 0.00 177.10 176.26 2i50 h GLN 113 N 3.57 0.51 -0.40 0.43 4.15 -1.86 0.48 115.11 121.99 2i50 h GLN 113 Ca -0.47 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 58.87 2i50 h GLN 113 Cb 1.21 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2i50 h GLN 113 CO 0.66 0.34 0.05 1.25 -1.93 0.00 0.00 178.83 179.20 2i50 h LEU 114 N 0.53 0.65 -0.41 -2.39 5.85 -1.91 -0.24 115.31 117.39 2i50 h LEU 114 Ca 0.45 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 2i50 h LEU 114 Cb 0.94 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2i50 h LEU 114 CO -0.19 0.76 -0.28 1.23 -0.34 0.00 0.00 178.44 179.62 2i50 h GLY 115 N 0.52 0.99 0.29 3.75 0.00 -1.01 -0.08 103.07 107.53 2i50 h GLY 115 Ca 0.12 -0.95 0.10 0.00 0.00 0.00 0.00 47.33 46.60 2i50 h GLY 115 CO 0.01 0.86 0.14 1.46 0.00 0.00 0.00 176.54 179.02 2i50 h GLN 116 N 0.74 0.28 0.04 4.80 4.20 -0.64 0.13 115.11 124.65 2i50 h GLN 116 Ca 0.08 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 2i50 h GLN 116 Cb 0.86 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.60 2i50 h GLN 116 CO 0.08 0.19 -0.65 0.28 -0.67 0.00 0.00 178.83 178.05 2i50 h VAL 117 N 0.29 1.45 -0.85 -0.54 2.07 -0.88 -0.01 116.25 117.78 2i50 h VAL 117 Ca 0.29 -2.19 0.10 0.00 0.82 0.00 0.00 66.70 65.72 2i50 h VAL 117 Cb 0.40 2.76 -0.06 0.00 -1.52 0.00 0.00 31.29 32.87 2i50 h VAL 117 CO -0.35 0.63 0.55 0.58 0.02 0.00 0.00 177.57 179.00 2i50 h VAL 118 N -0.18 0.95 -0.28 2.57 2.07 -0.82 0.55 116.25 121.11 2i50 h VAL 118 Ca -0.09 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2i50 h VAL 118 Cb 1.39 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2i50 h VAL 118 CO 0.13 0.15 -0.02 -0.78 0.02 0.00 0.00 177.57 177.06 2i50 h ASP 119 N 0.81 0.50 -0.06 0.57 3.58 -0.61 0.33 116.42 121.55 2i50 h ASP 119 Ca 0.40 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 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 -0.16 0.71 0.03 0.22 -2.88 0.00 0.00 179.24 177.16 2i50 h TYR 120 N 0.29 0.08 -0.12 0.28 3.20 0.16 -1.29 116.97 119.56 2i50 h TYR 120 Ca 0.08 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2i50 h TYR 120 Cb 0.46 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2i50 h TYR 120 CO 0.04 0.10 -0.38 0.28 -1.64 0.00 0.00 178.16 176.56 2i50 h VAL 121 N 0.03 1.30 -0.13 1.81 2.07 0.26 0.76 116.25 122.34 2i50 h VAL 121 Ca 0.02 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.01 2i50 h VAL 121 Cb 0.05 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2i50 h VAL 121 CO -0.00 0.43 -0.32 -0.09 0.02 0.00 0.00 177.57 177.61 2i50 h ARG 122 N 0.22 0.26 0.00 1.57 2.43 0.07 0.13 114.38 119.06 2i50 h ARG 122 Ca 0.02 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2i50 h ARG 122 Cb 0.77 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2i50 h ARG 122 CO 0.06 0.55 -0.09 0.87 -1.51 0.00 0.00 179.97 179.85 2i50 h LYS 123 N 0.23 0.00 0.19 0.20 1.57 0.01 0.27 116.57 119.03 2i50 h LYS 123 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2i50 h LYS 123 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2i50 h LYS 123 CO 0.05 0.09 -0.09 1.96 -0.57 0.00 0.00 179.45 180.89 2i50 h GLN 124 N 0.00 -0.25 -0.21 3.15 1.08 0.45 -3.33 115.11 116.01 2i50 h GLN 124 Ca -0.00 0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 2i50 h GLN 124 Cb 0.98 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2i50 h GLN 124 CO 0.01 0.16 -0.16 0.00 -0.95 0.00 0.00 178.83 177.89 2i50 h ALA 125 N -0.30 0.30 0.00 3.87 0.00 -0.85 -3.51 119.26 118.77 2i50 h ALA 125 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2i50 h ALA 125 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2i50 h ALA 125 CO 0.04 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.36