#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h n GLU 8 N 0.00 1.40 -1.58 3.49 4.07 -1.26 -5.12 120.64 121.64 3a0h n GLU 8 Ca 0.00 -4.05 -0.41 0.00 -0.06 0.00 0.00 57.16 52.63 3a0h n GLU 8 Cb 0.00 -2.02 0.01 0.00 -0.06 0.00 0.00 31.44 29.37 3a0h n GLU 8 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 3a0h n LEU 9 N 1.97 2.13 -3.75 4.31 -0.00 -1.26 -5.02 117.00 115.37 3a0h n LEU 9 Ca 0.24 1.00 -0.13 0.00 -0.00 0.00 0.00 56.01 57.12 3a0h n LEU 9 Cb 0.41 -1.30 -0.09 0.00 -0.00 0.00 0.00 43.42 42.43 3a0h n LEU 9 CO 0.23 -1.79 0.03 -0.69 -0.00 0.00 0.00 177.39 175.18 3a0h s VAL 10 N -1.32 0.03 0.18 1.47 1.01 -1.26 -5.14 120.40 115.37 3a0h s VAL 10 Ca 0.64 -0.27 -0.33 0.00 0.00 0.00 0.00 61.98 62.02 3a0h s VAL 10 Cb -0.56 -0.58 -0.15 0.00 0.00 0.00 0.00 36.38 35.09 3a0h s VAL 10 CO 0.56 -0.15 1.24 -3.20 0.00 0.00 0.00 175.10 173.56 3a0h n ASN 11 N 1.92 1.71 0.07 3.32 2.85 -1.26 -4.94 115.26 118.93 3a0h n ASN 11 Ca -0.18 1.14 -0.22 0.00 -0.11 0.00 0.00 54.58 55.21 3a0h n ASN 11 Cb 0.57 -1.26 -0.15 0.00 1.24 0.00 0.00 39.78 40.18 3a0h n ASN 11 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3a0h h VAL 12 N 2.84 1.31 -0.30 3.44 2.07 -2.00 -3.12 116.25 120.49 3a0h h VAL 12 Ca -0.44 -2.55 -0.05 0.00 0.82 0.00 0.00 66.70 64.48 3a0h h VAL 12 Cb 1.33 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 34.11 3a0h h VAL 12 CO 0.73 0.75 -0.00 0.58 0.02 0.00 0.00 177.57 179.64 3a0h h VAL 13 N -0.19 1.26 -0.65 2.57 2.07 -1.97 -1.13 116.25 118.21 3a0h h VAL 13 Ca -0.22 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.44 3a0h h VAL 13 Cb 1.84 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.83 3a0h h VAL 13 CO 0.17 0.31 0.30 0.44 0.02 0.00 0.00 177.57 178.80 3a0h h ASP 14 N 0.32 0.37 -0.17 0.57 3.45 -1.98 -0.47 116.42 118.51 3a0h h ASP 14 Ca 0.08 0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.57 3a0h h ASP 14 Cb 0.44 0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3a0h h ASP 14 CO 0.02 0.22 -0.06 -0.08 -1.57 0.00 0.00 179.24 177.76 3a0h h GLU 15 N 0.52 0.34 0.00 3.56 4.81 -1.44 -2.63 114.58 119.75 3a0h h GLU 15 Ca 0.32 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3a0h h GLU 15 Cb 0.35 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3a0h h GLU 15 CO -0.27 0.63 0.00 1.17 -0.73 0.00 0.00 179.01 179.81 3a0h n LYS 16 N -4.64 0.02 0.08 1.92 4.81 -0.45 0.96 118.16 120.85 3a0h n LYS 16 Ca -0.05 0.31 0.13 0.00 -0.87 0.00 0.00 58.31 57.83 3a0h n LYS 16 Cb 0.29 -1.50 0.42 0.00 0.02 0.00 0.00 35.03 34.26 3a0h n LYS 16 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3a0h n LEU 17 N -1.47 0.63 -0.07 3.14 0.00 -0.22 -2.86 117.00 116.15 3a0h n LEU 17 Ca 0.03 0.51 0.12 0.00 0.00 0.00 0.00 56.01 56.67 3a0h n LEU 17 Cb 0.11 -0.34 0.21 0.00 0.00 0.00 0.00 43.42 43.40 3a0h n LEU 17 CO 0.09 -0.12 0.42 0.61 0.00 0.00 0.00 177.39 178.38 3a0h n GLY 18 N 1.36 -1.03 0.00 -3.96 0.00 0.27 -3.73 105.19 98.10 3a0h n GLY 18 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3a0h n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a0h n THR 19 N -1.26 0.00 0.97 2.61 -2.24 -1.13 -4.90 114.28 108.32 3a0h n THR 19 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 3a0h n THR 19 Cb 0.34 -1.68 0.50 0.00 -2.10 0.00 0.00 70.33 67.39 3a0h n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a0h n ALA 20 N -3.00 2.05 -0.16 6.98 0.00 -1.26 -3.13 120.51 121.99 3a0h n ALA 20 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.36 3a0h n ALA 20 Cb 0.00 -1.30 0.30 0.00 0.00 0.00 0.00 19.45 18.45 3a0h n ALA 20 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3a0h h TYR 21 N 0.00 0.82 0.00 0.00 -0.00 -1.86 -2.35 116.97 113.57 3a0h h TYR 21 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 58.73 58.71 3a0h h TYR 21 Cb 0.13 -0.28 -0.01 0.00 -0.00 0.00 0.00 36.73 36.57 3a0h h TYR 21 CO 0.00 0.51 -0.20 0.78 -0.00 0.00 0.00 178.16 179.25 3a0h h GLY 22 N 0.88 0.00 0.26 1.82 0.00 -1.63 -3.34 103.07 101.06 3a0h h GLY 22 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.34 3a0h h GLY 22 CO -0.06 0.00 -1.23 0.83 0.00 0.00 0.00 176.54 176.09 3a0h h GLU 23 N 0.00 0.11 0.00 4.80 5.08 -1.65 -3.50 114.58 119.43 3a0h h GLU 23 Ca -0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3a0h h GLU 23 Cb 0.93 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3a0h h GLU 23 CO 0.03 1.09 0.00 1.63 -1.00 0.00 0.00 179.01 180.76 3a0h n LYS 24 N -4.18 3.95 -4.14 2.33 5.02 -0.94 -5.13 118.16 115.07 3a0h n LYS 24 Ca -0.27 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.68 3a0h n LYS 24 Cb 0.77 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.66 3a0h n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a0h s ILE 25 N 2.03 3.96 -0.40 -0.18 1.01 -0.66 -4.86 121.20 122.10 3a0h s ILE 25 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 3a0h s ILE 25 Cb 0.00 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.70 3a0h s ILE 25 CO 0.00 0.44 0.61 -0.62 0.00 0.00 0.00 174.94 175.38 3a0h s ASP 26 N 0.84 6.34 0.24 3.58 -1.08 -1.26 -0.53 116.67 124.81 3a0h s ASP 26 Ca 0.00 -0.17 -0.05 0.00 -0.52 0.00 0.00 52.55 51.81 3a0h s ASP 26 Cb -0.14 -2.31 0.37 0.00 -1.46 0.00 0.00 42.92 39.38 3a0h s ASP 26 CO 0.02 -0.67 1.81 -0.07 0.52 0.00 0.00 175.17 176.77 3a0h h LEU 27 N 9.49 0.63 0.00 -1.34 3.38 -1.54 -1.92 115.31 124.01 3a0h h LEU 27 Ca -0.26 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3a0h h LEU 27 Cb 1.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3a0h h LEU 27 CO 0.85 0.37 -0.27 0.59 0.09 0.00 0.00 178.44 180.07 3a0h n ASN 28 N -4.76 0.77 0.06 -0.43 4.13 -1.26 -4.71 115.26 109.05 3a0h n ASN 28 Ca 0.13 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.76 3a0h n ASN 28 Cb 0.27 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 3a0h n ASN 28 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3a0h n ASN 29 N -2.20 0.33 -0.86 6.41 5.03 -1.07 -4.73 115.26 118.17 3a0h n ASN 29 Ca 0.05 0.18 -0.10 0.00 0.87 0.00 0.00 54.58 55.58 3a0h n ASN 29 Cb 0.43 -0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.18 3a0h n ASN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3a0h n THR 30 N -3.10 0.24 -1.67 3.41 -1.04 -0.74 -4.80 114.28 106.58 3a0h n THR 30 Ca 0.00 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 3a0h n THR 30 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3a0h n THR 30 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3a0h n ASN 31 N 0.35 1.97 0.01 8.00 4.05 -1.26 -4.84 115.26 123.54 3a0h n ASN 31 Ca 0.04 1.05 0.04 0.00 0.45 0.00 0.00 54.58 56.15 3a0h n ASN 31 Cb 0.04 -1.45 0.18 0.00 1.23 0.00 0.00 39.78 39.77 3a0h n ASN 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3a0h n ILE 32 N -0.50 1.49 0.13 -1.44 3.06 -0.36 -2.53 119.36 119.22 3a0h n ILE 32 Ca 0.08 0.39 -0.02 0.00 -2.50 0.00 0.00 62.75 60.71 3a0h n ILE 32 Cb 0.40 -1.29 0.15 0.00 0.54 0.00 0.00 39.64 39.45 3a0h n ILE 32 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3a0h h ALA 33 N 2.22 0.95 0.00 1.51 0.00 -1.88 -3.02 119.26 119.04 3a0h h ALA 33 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3a0h h ALA 33 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3a0h h ALA 33 CO 0.00 0.80 0.00 0.00 0.00 0.00 0.00 179.25 180.05 3a0h n ALA 34 N -2.42 2.21 0.18 0.00 0.00 -1.05 -3.32 120.51 116.11 3a0h n ALA 34 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3a0h n ALA 34 Cb 0.63 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 19.10 3a0h n ALA 34 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3a0h h PHE 35 N 0.00 0.00 -0.23 0.00 0.05 -1.75 -3.34 116.94 111.66 3a0h h PHE 35 Ca 0.00 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.68 3a0h h PHE 35 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.94 3a0h h PHE 35 CO 0.00 0.00 -0.34 -0.84 -0.18 0.00 0.00 178.31 176.95 3a0h h ILE 36 N 0.00 1.29 0.00 -0.55 3.07 -1.80 -3.12 117.51 116.40 3a0h h ILE 36 Ca 0.00 -1.45 0.00 0.00 1.55 0.00 0.00 64.86 64.96 3a0h h ILE 36 Cb 0.98 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.02 3a0h h ILE 36 CO 0.00 0.45 0.00 0.00 -1.05 0.00 0.00 178.15 177.55 3a0h n GLN 37 N -4.06 0.00 -3.61 0.16 10.64 -1.26 -4.57 117.38 114.67 3a0h n GLN 37 Ca -0.01 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.03 3a0h n GLN 37 Cb 0.47 -1.30 -0.07 0.00 -0.86 0.00 0.00 30.24 28.48 3a0h n GLN 37 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3a0h s TYR 38 N 0.98 -0.66 -0.57 2.61 1.51 -1.25 -5.11 117.35 114.85 3a0h s TYR 38 Ca 0.00 1.53 -0.36 0.00 -1.01 0.00 0.00 57.07 57.23 3a0h s TYR 38 Cb 0.00 0.33 -0.18 0.00 -0.11 0.00 0.00 41.96 42.00 3a0h s TYR 38 CO 0.00 -0.37 2.05 -2.13 -1.11 0.00 0.00 175.55 173.99 3a0h n ARG 39 N 2.19 0.00 -3.87 -0.62 0.63 -1.26 -2.69 116.66 111.04 3a0h n ARG 39 Ca -0.14 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.52 3a0h n ARG 39 Cb 0.56 -1.34 0.02 0.00 0.45 0.00 0.00 32.46 32.14 3a0h n ARG 39 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3a0h n GLY 40 N 6.47 -0.39 0.32 5.14 0.00 -1.26 -4.93 105.19 110.54 3a0h n GLY 40 Ca 0.52 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 3a0h n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0h n LEU 41 N -4.49 1.81 0.00 0.99 4.32 -1.10 -4.88 117.00 113.65 3a0h n LEU 41 Ca -0.12 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 3a0h n LEU 41 Cb 0.60 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 3a0h n LEU 41 CO 0.74 0.51 0.00 0.00 -1.22 0.00 0.00 177.39 177.42 3a0h n TYR 42 N -3.61 0.00 0.00 -1.77 9.36 -1.18 -2.82 117.16 117.14 3a0h n TYR 42 Ca -0.36 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.86 3a0h n TYR 42 Cb 0.79 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.50 3a0h n TYR 42 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3a0h n PRO 43 N 0.00 0.00 -0.09 2.98 -0.04 -1.26 -2.52 135.00 134.07 3a0h n PRO 43 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 3a0h n PRO 43 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 3a0h n PRO 43 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3a0h n THR 44 N -0.08 1.45 -0.26 0.52 -1.04 -1.26 -4.27 114.28 109.34 3a0h n THR 44 Ca 0.00 0.16 0.16 0.00 -2.04 0.00 0.00 64.05 62.33 3a0h n THR 44 Cb 0.00 -2.33 0.30 0.00 -1.82 0.00 0.00 70.33 66.48 3a0h n THR 44 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3a0h n LEU 45 N -4.42 0.03 -0.13 -4.42 7.94 -1.22 0.19 117.00 114.98 3a0h n LEU 45 Ca -0.13 1.30 -0.07 0.00 -1.11 0.00 0.00 56.01 56.00 3a0h n LEU 45 Cb 0.47 -0.53 0.01 0.00 0.53 0.00 0.00 43.42 43.90 3a0h n LEU 45 CO 0.19 -1.37 1.03 0.00 -1.11 0.00 0.00 177.39 176.13 3a0h h ALA 46 N 1.55 0.51 -0.47 1.96 0.00 -1.32 1.04 119.26 122.52 3a0h h ALA 46 Ca 0.53 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.56 3a0h h ALA 46 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3a0h h ALA 46 CO -0.68 -0.07 0.36 -0.22 0.00 0.00 0.00 179.25 178.64 3a0h h LYS 47 N 0.50 0.00 0.06 0.00 3.64 0.20 1.54 116.57 122.51 3a0h h LYS 47 Ca 0.16 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.19 3a0h h LYS 47 Cb -0.02 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3a0h h LYS 47 CO -0.06 0.00 -1.96 1.28 -2.27 0.00 0.00 179.45 176.44 3a0h n LEU 48 N -4.23 1.87 0.36 5.20 4.77 -0.42 -1.75 117.00 122.79 3a0h n LEU 48 Ca 0.08 0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3a0h n LEU 48 Cb 0.57 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 3a0h n LEU 48 CO 0.35 0.67 0.52 0.40 -1.33 0.00 0.00 177.39 178.00 3a0h h ILE 49 N 0.04 0.23 -0.42 -0.08 2.04 0.32 -3.13 117.51 116.51 3a0h h ILE 49 Ca -0.40 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3a0h h ILE 49 Cb 2.03 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3a0h h ILE 49 CO 0.07 0.02 0.27 0.58 0.00 0.00 0.00 178.15 179.09 3a0h h VAL 50 N -1.07 1.10 -0.75 1.67 2.07 0.19 -3.40 116.25 116.07 3a0h h VAL 50 Ca -0.09 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3a0h h VAL 50 Cb 0.73 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3a0h h VAL 50 CO 0.15 0.10 0.00 1.17 0.02 0.00 0.00 177.57 179.01 3a0h n LYS 51 N -4.80 0.62 -1.86 1.57 3.00 -0.72 -4.83 118.16 111.13 3a0h n LYS 51 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3a0h n LYS 51 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.06 3a0h n LYS 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3a0h n ASN 52 N -0.60 -9.07 -3.04 3.14 5.03 -1.24 -4.79 115.26 104.69 3a0h n ASN 52 Ca 0.00 1.31 -0.18 0.00 0.87 0.00 0.00 54.58 56.58 3a0h n ASN 52 Cb 0.00 -4.87 0.01 0.00 -1.02 0.00 0.00 39.78 33.90 3a0h n ASN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a0h n ALA 53 N 0.89 -1.07 -2.49 5.41 0.00 -1.26 -4.88 120.51 117.11 3a0h n ALA 53 Ca 0.00 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.40 3a0h n ALA 53 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 3a0h n ALA 53 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3a0h s PRO 54 N -1.56 4.39 -0.09 0.00 0.04 -1.26 -5.01 135.00 131.50 3a0h s PRO 54 Ca 0.17 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 3a0h s PRO 54 Cb 0.05 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 3a0h s PRO 54 CO 0.30 0.30 0.54 0.71 0.04 0.00 0.00 177.00 178.89 3a0h s TYR 55 N -0.02 3.55 0.19 0.56 1.51 -1.26 -4.96 117.35 116.92 3a0h s TYR 55 Ca 0.34 1.00 0.08 0.00 -1.01 0.00 0.00 57.07 57.48 3a0h s TYR 55 Cb -0.19 -2.61 0.06 0.00 -0.11 0.00 0.00 41.96 39.11 3a0h s TYR 55 CO 0.19 0.18 1.44 1.49 -1.11 0.00 0.00 175.55 177.73 3a0h h GLU 56 N 6.59 0.02 -6.75 -0.62 4.81 -1.98 -3.44 114.58 113.21 3a0h h GLU 56 Ca -0.42 -0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.10 3a0h h GLU 56 Cb 1.19 0.01 -0.24 0.00 0.63 0.00 0.00 28.75 30.34 3a0h h GLU 56 CO 0.75 0.83 -0.85 -1.54 -0.73 0.00 0.00 179.01 177.46 3a0h s SER 57 N -6.79 3.41 0.63 1.04 1.04 -1.26 -5.02 113.70 106.74 3a0h s SER 57 Ca -0.00 -0.59 0.40 0.00 0.48 0.00 0.00 55.95 56.23 3a0h s SER 57 Cb 0.11 -0.36 2.10 0.00 0.10 0.00 0.00 66.02 67.97 3a0h s SER 57 CO 0.80 0.23 2.27 0.58 0.98 0.00 0.00 173.24 178.09 3a0h h VAL 58 N 4.01 0.11 0.04 5.02 2.07 -1.94 -2.96 116.25 122.59 3a0h h VAL 58 Ca -0.48 -0.14 -0.30 0.00 0.82 0.00 0.00 66.70 66.60 3a0h h VAL 58 Cb 1.15 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3a0h h VAL 58 CO 0.43 0.01 -1.66 -0.33 0.02 0.00 0.00 177.57 176.05 3a0h h GLU 59 N 0.00 0.08 0.00 1.57 3.07 -1.97 -3.35 114.58 113.98 3a0h h GLU 59 Ca -0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3a0h h GLU 59 Cb 0.12 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3a0h h GLU 59 CO 0.00 0.76 0.02 -0.25 -1.40 0.00 0.00 179.01 178.14 3a0h n ASP 60 N -3.21 0.00 -0.07 1.42 8.00 -1.12 0.78 116.55 122.35 3a0h n ASP 60 Ca -0.18 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 3a0h n ASP 60 Cb 1.04 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 42.07 3a0h n ASP 60 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3a0h h VAL 61 N 0.00 1.33 0.00 2.53 2.07 -1.78 -3.13 116.25 117.26 3a0h h VAL 61 Ca 0.00 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 3a0h h VAL 61 Cb 0.04 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3a0h h VAL 61 CO 0.00 0.42 -0.05 -0.07 0.02 0.00 0.00 177.57 177.90 3a0h h LEU 62 N 0.17 0.00 -6.18 2.57 3.38 0.06 -2.96 115.31 112.36 3a0h h LEU 62 Ca 0.03 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.24 3a0h h LEU 62 Cb 0.76 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.21 3a0h h LEU 62 CO 0.05 0.05 0.64 -3.20 0.09 0.00 0.00 178.44 176.07 3a0h n ASN 63 N -3.67 6.58 -4.48 -0.43 2.85 -1.18 -4.97 115.26 109.97 3a0h n ASN 63 Ca -0.02 -3.64 -0.35 0.00 -0.11 0.00 0.00 54.58 50.45 3a0h n ASN 63 Cb 0.15 -1.06 -0.12 0.00 1.24 0.00 0.00 39.78 39.99 3a0h n ASN 63 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3a0h s ILE 64 N -4.07 4.15 -0.46 -1.44 1.01 -1.12 -5.02 121.20 114.24 3a0h s ILE 64 Ca 0.40 -0.25 -0.41 0.00 0.00 0.00 0.00 60.65 60.39 3a0h s ILE 64 Cb 0.18 -2.88 -0.18 0.00 0.01 0.00 0.00 42.46 39.59 3a0h s ILE 64 CO -0.09 0.42 1.88 -2.65 0.00 0.00 0.00 174.94 174.49 3a0h n PRO 65 N 4.22 0.00 -0.56 2.79 -0.02 -1.26 -1.47 135.00 138.69 3a0h n PRO 65 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3a0h n PRO 65 Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3a0h n PRO 65 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a0h n GLY 66 N 6.25 0.88 3.59 -1.23 0.00 -1.26 -5.03 105.19 108.39 3a0h n GLY 66 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 3a0h n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0h n LEU 67 N 0.00 2.12 -4.83 0.99 4.77 -0.55 -4.93 117.00 114.58 3a0h n LEU 67 Ca 0.00 1.07 -0.34 0.00 -0.03 0.00 0.00 56.01 56.71 3a0h n LEU 67 Cb 0.00 -1.31 -0.06 0.00 -2.33 0.00 0.00 43.42 39.71 3a0h n LEU 67 CO 0.00 -1.56 0.44 0.28 -1.33 0.00 0.00 177.39 175.22 3a0h s THR 68 N -1.22 4.60 0.61 -5.08 -1.32 -1.26 -4.78 115.64 107.19 3a0h s THR 68 Ca 0.61 1.13 0.27 0.00 -1.21 0.00 0.00 61.69 62.49 3a0h s THR 68 Cb -0.61 -3.70 0.36 0.00 -1.51 0.00 0.00 72.50 67.04 3a0h s THR 68 CO 0.58 -0.06 1.59 1.05 -2.21 0.00 0.00 174.62 175.58 3a0h h GLU 69 N 2.63 0.00 0.00 7.08 9.09 -1.99 1.70 114.58 133.09 3a0h h GLU 69 Ca -0.48 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 58.85 3a0h h GLU 69 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 3a0h h GLU 69 CO 0.65 0.00 -0.86 -2.13 0.05 0.00 0.00 179.01 176.72 3a0h n ARG 70 N -3.38 0.50 -0.20 1.06 3.00 -1.26 -3.75 116.66 112.61 3a0h n ARG 70 Ca 0.14 0.50 -0.08 0.00 -0.00 0.00 0.00 57.85 58.41 3a0h n ARG 70 Cb 1.05 -1.68 -0.03 0.00 0.00 0.00 0.00 32.46 31.81 3a0h n ARG 70 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3a0h h GLN 71 N -1.00 -0.21 -0.94 -0.14 4.20 -1.11 0.88 115.11 116.79 3a0h h GLN 71 Ca -0.13 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.76 3a0h h GLN 71 Cb 0.82 0.05 -0.16 0.00 0.30 0.00 0.00 27.48 28.48 3a0h h GLN 71 CO -0.08 -0.14 -0.32 0.87 -0.67 0.00 0.00 178.83 178.49 3a0h h LYS 72 N -0.22 -0.02 0.15 1.46 1.57 0.22 0.13 116.57 119.87 3a0h h LYS 72 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3a0h h LYS 72 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3a0h h LYS 72 CO -0.69 -0.01 -0.34 0.37 -0.57 0.00 0.00 179.45 178.21 3a0h h GLN 73 N -0.02 -0.52 -0.54 3.15 5.75 0.62 -2.29 115.11 121.26 3a0h h GLN 73 Ca 0.38 0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.96 3a0h h GLN 73 Cb 0.63 0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.24 3a0h h GLN 73 CO -0.95 -0.35 -0.32 -0.89 -2.65 0.00 0.00 178.83 173.67 3a0h n ILE 74 N -4.42 -0.37 -0.29 2.39 2.08 0.37 -0.05 119.36 119.08 3a0h n ILE 74 Ca -0.06 1.90 -0.05 0.00 0.56 0.00 0.00 62.75 65.10 3a0h n ILE 74 Cb 0.28 -2.40 0.00 0.00 -0.75 0.00 0.00 39.64 36.77 3a0h n ILE 74 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3a0h h LEU 75 N 0.00 -1.42 -0.33 1.39 4.07 -1.23 0.70 115.31 118.48 3a0h h LEU 75 Ca 0.09 0.27 0.05 0.00 0.08 0.00 0.00 57.88 58.37 3a0h h LEU 75 Cb 0.22 0.70 -0.08 0.00 1.08 0.00 0.00 40.66 42.58 3a0h h LEU 75 CO -0.51 -0.30 -0.53 -0.09 -1.08 0.00 0.00 178.44 175.93 3a0h h ARG 76 N -0.11 -0.43 -0.52 1.13 2.43 0.13 0.64 114.38 117.66 3a0h h ARG 76 Ca 0.26 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.55 3a0h h ARG 76 Cb 0.56 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.10 3a0h h ARG 76 CO -0.82 -0.28 -0.32 0.93 -1.51 0.00 0.00 179.97 177.96 3a0h h GLU 77 N -0.44 -0.18 0.00 0.20 5.08 0.28 -1.64 114.58 117.88 3a0h h GLU 77 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3a0h h GLU 77 Cb 0.62 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3a0h h GLU 77 CO -0.55 -0.12 0.00 0.09 -1.00 0.00 0.00 179.01 177.43 3a0h n ASN 78 N -5.43 0.65 -0.43 1.42 3.02 0.70 -4.11 115.26 111.09 3a0h n ASN 78 Ca 0.03 0.59 0.33 0.00 -0.03 0.00 0.00 54.58 55.50 3a0h n ASN 78 Cb 0.35 -0.75 0.53 0.00 -0.61 0.00 0.00 39.78 39.29 3a0h n ASN 78 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3a0h n LEU 79 N -2.14 0.05 -0.24 3.41 -0.00 0.21 -0.62 117.00 117.66 3a0h n LEU 79 Ca 0.05 0.78 -0.02 0.00 -0.00 0.00 0.00 56.01 56.81 3a0h n LEU 79 Cb 0.36 -0.39 0.04 0.00 -0.00 0.00 0.00 43.42 43.43 3a0h n LEU 79 CO 0.27 -0.81 0.65 -0.33 -0.00 0.00 0.00 177.39 177.17 3a0h h GLU 80 N 0.00 -0.09 -0.09 1.96 5.08 -1.78 -2.50 114.58 117.16 3a0h h GLU 80 Ca 0.63 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 3a0h h GLU 80 Cb 2.37 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.64 3a0h h GLU 80 CO -0.12 -0.06 0.00 0.72 -1.00 0.00 0.00 179.01 178.55 3a0h n HIS 81 N -5.46 0.11 -3.74 4.33 8.25 0.20 -4.91 115.22 114.02 3a0h n HIS 81 Ca 0.07 -0.06 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 3a0h n HIS 81 Cb 0.37 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.43 3a0h n HIS 81 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3a0h s PHE 82 N -1.89 3.57 0.29 4.41 2.99 -0.94 -1.65 117.98 124.75 3a0h s PHE 82 Ca 0.31 0.59 0.01 0.00 0.00 0.00 0.00 56.93 57.83 3a0h s PHE 82 Cb 0.16 -2.00 -0.02 0.00 0.00 0.00 0.00 43.02 41.15 3a0h s PHE 82 CO 0.25 0.58 0.30 0.99 -0.00 0.00 0.00 175.22 177.34 3a0h s THR 83 N -1.35 0.00 0.04 0.64 2.01 0.31 -4.90 115.64 112.39 3a0h s THR 83 Ca 0.30 -1.85 -0.11 0.00 0.31 0.00 0.00 61.69 60.33 3a0h s THR 83 Cb -0.13 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.88 3a0h s THR 83 CO 0.18 0.00 0.24 -0.69 -0.69 0.00 0.00 174.62 173.66 3a0h s VAL 84 N -3.63 0.10 0.14 3.82 1.01 -1.26 -1.26 120.40 119.32 3a0h s VAL 84 Ca 0.36 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 3a0h s VAL 84 Cb 0.03 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.52 3a0h s VAL 84 CO 0.19 -0.44 0.48 0.42 0.00 0.00 0.00 175.10 175.75 3a0h s THR 85 N -2.59 0.04 0.42 3.92 -4.23 -1.26 -4.94 115.64 107.00 3a0h s THR 85 Ca -0.05 -0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 59.90 3a0h s THR 85 Cb -0.01 -1.10 -0.15 0.00 1.34 0.00 0.00 72.50 72.58 3a0h s THR 85 CO -0.04 -0.19 0.13 -0.62 -0.54 0.00 0.00 174.62 173.36 3a0h n GLU 86 N -0.28 0.08 -1.89 3.99 -0.58 -1.26 -4.76 120.64 115.93 3a0h n GLU 86 Ca -0.16 0.03 -0.40 0.00 -0.42 0.00 0.00 57.16 56.20 3a0h n GLU 86 Cb 0.64 -1.08 -0.00 0.00 -0.57 0.00 0.00 31.44 30.43 3a0h n GLU 86 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3a0h s VAL 87 N -1.68 2.25 -0.46 2.62 1.01 -1.26 -4.92 120.40 117.96 3a0h s VAL 87 Ca 0.60 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 3a0h s VAL 87 Cb -0.62 -3.15 0.11 0.00 0.00 0.00 0.00 36.38 32.72 3a0h s VAL 87 CO 0.62 0.05 0.33 -0.70 0.00 0.00 0.00 175.10 175.40 3a0h s GLU 88 N -2.16 2.49 0.19 2.72 2.56 -1.26 -4.96 118.70 118.29 3a0h s GLU 88 Ca 0.55 -1.70 -0.08 0.00 0.00 0.00 0.00 54.97 53.74 3a0h s GLU 88 Cb -0.43 -3.89 0.29 0.00 2.00 0.00 0.00 34.13 32.10 3a0h s GLU 88 CO 0.58 -1.14 1.13 2.41 -0.56 0.00 0.00 175.26 177.68 3a0h n THR 89 N 4.90 -0.33 0.23 -1.70 -1.04 -1.26 0.16 114.28 115.25 3a0h n THR 89 Ca -0.08 1.68 0.10 0.00 -2.04 0.00 0.00 64.05 63.70 3a0h n THR 89 Cb 0.41 -2.29 0.55 0.00 -1.82 0.00 0.00 70.33 67.18 3a0h n THR 89 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a0h h ALA 90 N 1.34 1.18 0.00 2.41 0.00 -1.95 -0.99 119.26 121.25 3a0h h ALA 90 Ca 0.32 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 3a0h h ALA 90 Cb 0.51 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3a0h h ALA 90 CO -0.74 0.27 -1.63 -0.07 0.00 0.00 0.00 179.25 177.08 3a0h h LEU 91 N 0.00 0.00 0.00 0.00 3.38 0.11 -3.40 115.31 115.40 3a0h h LEU 91 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3a0h h LEU 91 Cb 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3a0h h LEU 91 CO 0.03 0.95 -2.22 0.52 0.09 0.00 0.00 178.44 177.81 3a0h n VAL 92 N -3.05 1.16 -0.66 1.22 0.31 0.32 -4.36 118.33 113.26 3a0h n VAL 92 Ca -0.15 -0.78 -0.32 0.00 -0.01 0.00 0.00 64.34 63.08 3a0h n VAL 92 Cb 1.02 -0.44 0.18 0.00 -0.91 0.00 0.00 33.84 33.69 3a0h n VAL 92 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3a0h n GLU 93 N -2.69 -1.59 -1.41 5.55 -0.58 -0.39 -2.78 120.64 116.74 3a0h n GLU 93 Ca -0.26 -0.45 -0.14 0.00 -0.42 0.00 0.00 57.16 55.90 3a0h n GLU 93 Cb 1.03 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 30.09 3a0h n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a0h n GLY 94 N 1.90 1.41 3.67 0.62 0.00 -1.26 -2.50 105.19 109.02 3a0h n GLY 94 Ca 0.01 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 3a0h n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0h n GLY 95 N -0.41 -0.45 0.27 -0.02 0.00 -1.12 -4.74 105.19 98.72 3a0h n GLY 95 Ca -0.14 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 3a0h n GLY 95 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a0h h ASP 96 N -0.71 0.68 -0.40 1.61 3.32 -1.59 -2.96 116.42 116.37 3a0h h ASP 96 Ca -0.40 -0.20 0.12 0.00 0.02 0.00 0.00 57.03 56.57 3a0h h ASP 96 Cb 1.26 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3a0h h ASP 96 CO 0.56 0.83 0.63 0.03 -1.72 0.00 0.00 179.24 179.57 3a0h h ARG 97 N 0.62 0.00 0.14 3.56 3.08 -1.80 0.35 114.38 120.33 3a0h h ARG 97 Ca 0.11 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.80 3a0h h ARG 97 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3a0h h ARG 97 CO 0.04 0.00 -1.88 1.88 -1.07 0.00 0.00 179.97 178.94 3a0h h TYR 98 N 0.00 0.52 -2.06 3.04 -1.99 -1.89 -0.94 116.97 113.66 3a0h h TYR 98 Ca 0.19 -0.38 -0.44 0.00 2.00 0.00 0.00 58.73 60.10 3a0h h TYR 98 Cb 1.45 -0.02 -0.33 0.00 2.00 0.00 0.00 36.73 39.83 3a0h h TYR 98 CO 0.00 1.69 -0.77 1.21 -0.00 0.00 0.00 178.16 180.29 3a0h s ASN 99 N -7.06 1.25 0.14 3.88 3.84 0.97 -4.81 114.94 113.15 3a0h s ASN 99 Ca -0.19 -2.10 0.10 0.00 0.21 0.00 0.00 52.86 50.89 3a0h s ASN 99 Cb 0.06 0.29 0.55 0.00 -0.55 0.00 0.00 41.25 41.60 3a0h s ASN 99 CO 0.80 -0.22 1.32 -3.20 -2.79 0.00 0.00 177.10 173.01 3a0h n ASN 100 N 3.69 0.26 0.00 -4.21 2.85 0.23 -4.68 115.26 113.40 3a0h n ASN 100 Ca 0.17 0.62 0.00 0.00 -0.11 0.00 0.00 54.58 55.26 3a0h n ASN 100 Cb 0.46 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.82 3a0h n ASN 100 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3a0h n GLY 101 N -1.33 0.56 3.47 8.20 0.00 -1.26 -5.03 105.19 109.80 3a0h n GLY 101 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3a0h n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a0h s LEU 102 N 0.00 5.06 0.33 0.99 1.43 -1.26 -5.05 118.68 120.18 3a0h s LEU 102 Ca 0.00 -0.86 0.10 0.00 -1.03 0.00 0.00 54.13 52.34 3a0h s LEU 102 Cb 0.00 -2.19 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 3a0h s LEU 102 CO 0.00 -0.46 -0.11 -0.31 0.23 0.00 0.00 176.35 175.70 3a0h s TYR 103 N 1.73 2.36 -1.21 0.29 2.02 -1.26 -5.12 117.35 116.16 3a0h s TYR 103 Ca 0.06 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3a0h s TYR 103 Cb -0.19 -1.31 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 3a0h s TYR 103 CO 0.10 0.59 0.30 1.63 -1.57 0.00 0.00 175.55 176.61