#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0y h ASN 5 N 0.00 0.70 0.20 4.04 2.35 -1.86 -1.91 115.58 119.10 3i0y h ASN 5 Ca 0.00 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 3i0y h ASN 5 Cb 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3i0y h ASN 5 CO 0.00 1.09 -0.10 -0.09 -1.65 0.00 0.00 177.43 176.69 3i0y h ARG 6 N 0.49 -0.26 -0.11 0.81 2.43 -1.79 -0.44 114.38 115.51 3i0y h ARG 6 Ca 0.01 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3i0y h ARG 6 Cb 1.08 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3i0y h ARG 6 CO 0.10 -0.08 -0.17 1.96 -1.51 0.00 0.00 179.97 180.28 3i0y h GLN 7 N -0.38 0.17 -0.02 0.20 4.20 -1.88 -0.56 115.11 116.83 3i0y h GLN 7 Ca -0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3i0y h GLN 7 Cb 0.29 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3i0y h GLN 7 CO 0.04 0.34 -0.06 0.00 -0.67 0.00 0.00 178.83 178.49 3i0y h ARG 8 N 0.16 0.08 -0.46 1.46 3.08 -1.27 -0.44 114.38 117.00 3i0y h ARG 8 Ca 0.03 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.11 3i0y h ARG 8 Cb 0.40 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 3i0y h ARG 8 CO 0.03 0.66 0.05 0.00 -1.07 0.00 0.00 179.97 179.64 3i0y h ALA 9 N 0.42 0.48 -0.25 0.04 0.00 -0.82 -0.46 119.26 118.67 3i0y h ALA 9 Ca -0.00 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3i0y h ALA 9 Cb 0.66 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3i0y h ALA 9 CO 0.01 -0.35 -0.20 1.79 0.00 0.00 0.00 179.25 180.50 3i0y h THR 10 N 0.18 1.25 -0.67 0.00 1.35 -1.12 -2.57 112.91 111.32 3i0y h THR 10 Ca 0.23 -1.15 -0.05 0.00 -0.55 0.00 0.00 66.41 64.89 3i0y h THR 10 Cb 0.32 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 67.99 3i0y h THR 10 CO -0.33 0.37 0.20 1.23 -0.25 0.00 0.00 175.52 176.73 3i0y h GLY 11 N 0.97 1.10 0.91 5.82 0.00 -0.39 0.26 103.07 111.75 3i0y h GLY 11 Ca 0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 3i0y h GLY 11 CO 0.04 0.60 0.10 -2.00 0.00 0.00 0.00 176.54 175.28 3i0y h LEU 12 N 0.99 0.32 -0.52 3.11 5.85 -0.80 -0.80 115.31 123.46 3i0y h LEU 12 Ca 0.22 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3i0y h LEU 12 Cb 0.29 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3i0y h LEU 12 CO -0.01 0.39 -0.11 0.58 -0.34 0.00 0.00 178.44 178.95 3i0y h VAL 13 N 0.24 1.27 -0.79 1.05 2.07 -1.21 -0.36 116.25 118.52 3i0y h VAL 13 Ca 0.08 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.36 3i0y h VAL 13 Cb 0.16 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3i0y h VAL 13 CO -0.01 0.44 0.51 1.56 0.02 0.00 0.00 177.57 180.09 3i0y h GLN 14 N 0.86 0.97 -0.52 1.57 1.08 -0.80 -1.68 115.11 116.59 3i0y h GLN 14 Ca 0.13 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 3i0y h GLN 14 Cb 0.68 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 3i0y h GLN 14 CO 0.05 0.64 -0.06 0.00 -0.95 0.00 0.00 178.83 178.51 3i0y h ALA 15 N 1.32 0.92 -0.45 3.87 0.00 -0.72 0.05 119.26 124.25 3i0y h ALA 15 Ca 0.31 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3i0y h ALA 15 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3i0y h ALA 15 CO -0.10 0.63 0.15 -0.92 0.00 0.00 0.00 179.25 179.01 3i0y h TYR 16 N 0.83 0.26 -0.15 0.00 3.20 -0.72 -0.58 116.97 119.82 3i0y h TYR 16 Ca 0.14 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 3i0y h TYR 16 Cb 0.58 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3i0y h TYR 16 CO 0.03 0.09 -0.60 1.88 -1.64 0.00 0.00 178.16 177.92 3i0y h TYR 17 N 0.31 0.63 -0.88 -3.82 0.05 -0.96 -1.39 116.97 110.91 3i0y h TYR 17 Ca 0.21 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 3i0y h TYR 17 Cb 0.22 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 3i0y h TYR 17 CO -0.16 0.96 0.48 0.93 -1.05 0.00 0.00 178.16 179.32 3i0y h GLU 18 N 0.37 1.23 -0.36 4.88 3.07 -0.66 0.47 114.58 123.58 3i0y h GLU 18 Ca -0.00 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 58.67 3i0y h GLU 18 Cb 1.14 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 3i0y h GLU 18 CO 0.11 0.91 0.08 0.00 -1.40 0.00 0.00 179.01 178.70 3i0y h ALA 19 N 1.29 0.47 -0.40 3.43 0.00 -0.87 -2.17 119.26 121.00 3i0y h ALA 19 Ca 0.31 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3i0y h ALA 19 Cb 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3i0y h ALA 19 CO -0.05 0.14 0.13 0.35 0.00 0.00 0.00 179.25 179.83 3i0y h PHE 20 N 0.42 0.23 -0.05 0.00 3.57 -0.88 -0.22 116.94 120.02 3i0y h PHE 20 Ca 0.11 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3i0y h PHE 20 Cb 0.31 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3i0y h PHE 20 CO 0.02 0.08 -0.34 -0.91 -2.23 0.00 0.00 178.31 174.93 3i0y h ASN 21 N 0.28 0.09 -0.40 0.41 2.35 -0.76 -1.50 115.58 116.06 3i0y h ASN 21 Ca 0.19 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3i0y h ASN 21 Cb 0.18 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3i0y h ASN 21 CO -0.20 0.43 0.00 -2.11 -1.65 0.00 0.00 177.43 173.90 3i0y n ARG 22 N -4.11 1.95 -1.77 0.81 1.85 -0.83 -4.95 116.66 109.62 3i0y n ARG 22 Ca -0.02 -1.48 -0.11 0.00 -1.00 0.00 0.00 57.85 55.25 3i0y n ARG 22 Cb 0.40 -1.33 -0.03 0.00 -1.05 0.00 0.00 32.46 30.45 3i0y n ARG 22 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i0y n GLY 23 N 1.17 0.56 3.19 2.89 0.00 -0.56 -4.95 105.19 107.49 3i0y n GLY 23 Ca 0.14 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 3i0y n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i0y n ASP 24 N 0.07 5.49 -0.14 1.61 -0.08 -0.18 -4.83 116.55 118.49 3i0y n ASP 24 Ca -0.12 -3.11 -0.02 0.00 -1.51 0.00 0.00 54.79 50.03 3i0y n ASP 24 Cb 0.48 -1.45 0.20 0.00 2.34 0.00 0.00 41.12 42.69 3i0y n ASP 24 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3i0y h TRP 25 N 6.34 0.87 -0.48 -0.67 -0.00 -1.93 -2.23 115.95 117.85 3i0y h TRP 25 Ca 0.28 -0.07 0.03 0.00 -0.00 0.00 0.00 58.89 59.13 3i0y h TRP 25 Cb 0.76 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.63 3i0y h TRP 25 CO 1.04 0.70 0.28 -0.44 -0.00 0.00 0.00 178.44 180.02 3i0y h ASP 26 N 0.83 0.44 0.00 -3.49 3.32 -1.97 -0.56 116.42 114.98 3i0y h ASP 26 Ca 0.19 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3i0y h ASP 26 Cb 0.24 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3i0y h ASP 26 CO -0.01 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.82 3i0y n ALA 27 N -2.28 1.62 0.00 3.45 0.00 -0.84 -1.90 120.51 120.56 3i0y n ALA 27 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i0y n ALA 27 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3i0y n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i0y n LEU 29 N 0.85 0.00 0.30 0.00 4.77 -0.22 -3.62 117.00 119.07 3i0y n LEU 29 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 3i0y n LEU 29 Cb 0.08 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.06 3i0y n LEU 29 CO 0.00 0.00 1.06 0.00 -1.33 0.00 0.00 177.39 177.12 3i0y h ALA 30 N 0.00 1.02 -0.00 -1.18 0.00 -1.64 -1.49 119.26 115.97 3i0y h ALA 30 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i0y h ALA 30 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i0y h ALA 30 CO 0.00 0.01 -0.22 1.19 0.00 0.00 0.00 179.25 180.24 3i0y n PHE 31 N -3.13 0.00 -3.85 0.00 3.72 -1.24 -4.89 117.46 108.08 3i0y n PHE 31 Ca -0.01 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.03 3i0y n PHE 31 Cb 0.21 -0.37 -0.06 0.00 -0.94 0.00 0.00 39.48 38.32 3i0y n PHE 31 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i0y s LEU 32 N -2.97 4.39 0.64 4.37 1.43 -0.56 -0.92 118.68 125.06 3i0y s LEU 32 Ca 0.14 0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 53.54 3i0y s LEU 32 Cb 0.18 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3i0y s LEU 32 CO 0.60 0.35 1.26 0.00 0.23 0.00 0.00 176.35 178.79 3i0y s ALA 33 N -1.13 2.40 0.34 4.21 0.00 -0.07 -4.87 121.76 122.64 3i0y s ALA 33 Ca 0.20 1.11 0.09 0.00 0.00 0.00 0.00 51.96 53.35 3i0y s ALA 33 Cb -0.13 -3.51 0.81 0.00 0.00 0.00 0.00 23.12 20.29 3i0y s ALA 33 CO 0.09 -1.50 1.83 0.93 0.00 0.00 0.00 175.76 177.11 3i0y h GLU 34 N 0.55 0.69 -0.61 0.00 4.39 -1.95 -1.28 114.58 116.36 3i0y h GLU 34 Ca -0.50 -0.04 -0.34 0.00 0.34 0.00 0.00 59.36 58.81 3i0y h GLU 34 Cb 1.32 -0.15 -0.20 0.00 -0.10 0.00 0.00 28.75 29.61 3i0y h GLU 34 CO 0.53 0.45 0.16 -0.40 -1.16 0.00 0.00 179.01 178.59 3i0y n ASP 35 N -4.63 3.39 -4.57 1.42 5.75 -1.26 -2.89 116.55 113.76 3i0y n ASP 35 Ca 0.20 -3.74 -0.48 0.00 -0.01 0.00 0.00 54.79 50.76 3i0y n ASP 35 Cb 0.54 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3i0y n ASP 35 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 3i0y n VAL 36 N -1.09 1.16 -3.52 2.12 3.14 -0.48 -4.36 118.33 115.30 3i0y n VAL 36 Ca 0.44 -0.29 -0.37 0.00 -2.96 0.00 0.00 64.34 61.16 3i0y n VAL 36 Cb 1.19 -0.84 -0.07 0.00 -1.06 0.00 0.00 33.84 33.05 3i0y n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i0y s ALA 37 N -0.40 3.59 -0.22 1.55 0.00 -0.48 -0.12 121.76 125.67 3i0y s ALA 37 Ca 0.70 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3i0y s ALA 37 Cb -0.82 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 19.92 3i0y s ALA 37 CO 0.54 -0.01 -0.08 -1.58 0.00 0.00 0.00 175.76 174.63 3i0y s HIS 38 N 0.69 2.45 -0.44 0.00 2.46 -0.08 -0.62 115.29 119.74 3i0y s HIS 38 Ca 0.16 -1.71 -0.18 0.00 0.47 0.00 0.00 55.06 53.81 3i0y s HIS 38 Cb -0.13 -1.62 0.03 0.00 -0.13 0.00 0.00 32.58 30.73 3i0y s HIS 38 CO 0.05 -0.76 0.48 -0.51 -2.47 0.00 0.00 174.74 171.52 3i0y s ASP 39 N 1.38 6.20 0.36 9.88 1.01 0.12 -0.84 116.67 134.79 3i0y s ASP 39 Ca -0.04 -0.78 -0.27 0.00 0.71 0.00 0.00 52.55 52.18 3i0y s ASP 39 Cb -0.18 -2.24 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 3i0y s ASP 39 CO -0.07 -0.66 1.18 -0.76 0.21 0.00 0.00 175.17 175.07 3i0y s LEU 40 N 2.21 4.31 0.07 1.23 1.02 -0.53 -2.13 118.68 124.86 3i0y s LEU 40 Ca 0.12 2.40 -0.31 0.00 0.02 0.00 0.00 54.13 56.36 3i0y s LEU 40 Cb -0.18 -3.88 -0.09 0.00 0.02 0.00 0.00 46.19 42.07 3i0y s LEU 40 CO 0.13 -0.54 1.78 0.21 0.02 0.00 0.00 176.35 177.95 3i0y s ASN 41 N -0.96 6.51 -1.69 2.29 2.47 -1.24 -1.22 114.94 121.10 3i0y s ASN 41 Ca 0.53 2.60 0.00 0.00 0.42 0.00 0.00 52.86 56.41 3i0y s ASN 41 Cb -0.33 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.92 3i0y s ASN 41 CO 0.42 -0.97 0.00 0.00 -3.72 0.00 0.00 177.10 172.83 3i0y n GLN 42 N 6.21 -1.75 -1.03 0.43 1.13 -1.26 -4.91 117.38 116.18 3i0y n GLN 42 Ca 0.18 0.95 0.00 0.00 -1.94 0.00 0.00 57.00 56.19 3i0y n GLN 42 Cb 0.40 -5.58 0.00 0.00 0.11 0.00 0.00 30.24 25.17 3i0y n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i0y n GLY 43 N -0.91 4.21 3.89 1.08 0.00 -0.36 -5.17 105.19 107.94 3i0y n GLY 43 Ca -0.22 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 3i0y n GLY 43 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i0y s PRO 44 N -0.68 2.90 -0.03 1.61 0.04 -1.26 -4.53 135.00 133.05 3i0y s PRO 44 Ca 0.00 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.09 3i0y s PRO 44 Cb 0.00 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3i0y s PRO 44 CO 0.00 -0.93 0.97 0.50 0.04 0.00 0.00 177.00 177.58 3i0y s ARG 45 N -5.26 4.52 -0.07 4.56 3.52 -1.26 -1.45 118.95 123.51 3i0y s ARG 45 Ca 0.57 1.39 0.04 0.00 -0.13 0.00 0.00 55.73 57.60 3i0y s ARG 45 Cb -0.11 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3i0y s ARG 45 CO 0.50 -0.11 -0.21 -1.21 -0.81 0.00 0.00 175.30 173.47 3i0y s GLU 46 N 1.24 2.46 -0.20 5.12 2.02 -0.02 -4.95 118.70 124.36 3i0y s GLU 46 Ca 0.50 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 3i0y s GLU 46 Cb -0.20 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 3i0y s GLU 46 CO 0.25 0.20 0.07 0.42 0.02 0.00 0.00 175.26 176.23 3i0y s ILE 47 N 0.25 4.71 0.00 -1.63 -1.09 -1.26 -0.91 121.20 121.27 3i0y s ILE 47 Ca -0.12 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 3i0y s ILE 47 Cb -0.16 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 3i0y s ILE 47 CO 0.06 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 3i0y n GLY 48 N 3.97 2.41 0.25 6.18 0.00 0.83 -4.55 105.19 114.28 3i0y n GLY 48 Ca -0.16 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 3i0y n GLY 48 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i0y h ARG 49 N 0.00 0.47 -0.13 1.61 3.08 -1.74 -2.47 114.38 115.21 3i0y h ARG 49 Ca 0.00 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3i0y h ARG 49 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3i0y h ARG 49 CO 0.00 0.61 0.06 0.00 -1.07 0.00 0.00 179.97 179.58 3i0y h ALA 50 N 1.41 0.17 -0.83 0.04 0.00 -1.88 1.00 119.26 119.16 3i0y h ALA 50 Ca 0.08 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3i0y h ALA 50 Cb 0.52 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3i0y h ALA 50 CO 0.03 -0.27 0.53 0.00 0.00 0.00 0.00 179.25 179.54 3i0y h ALA 51 N 0.93 1.11 -0.40 0.00 0.00 -1.78 -1.02 119.26 118.11 3i0y h ALA 51 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i0y h ALA 51 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3i0y h ALA 51 CO -0.01 0.33 0.15 0.35 0.00 0.00 0.00 179.25 180.08 3i0y h PHE 52 N 1.01 0.61 -0.62 0.00 3.04 -0.94 -0.21 116.94 119.82 3i0y h PHE 52 Ca 0.34 -0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.26 3i0y h PHE 52 Cb 0.05 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 3i0y h PHE 52 CO -0.03 0.54 0.40 0.00 -2.02 0.00 0.00 178.31 177.21 3i0y h ALA 53 N 1.00 0.80 -0.78 2.41 0.00 -0.54 -1.71 119.26 120.44 3i0y h ALA 53 Ca 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3i0y h ALA 53 Cb 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3i0y h ALA 53 CO -0.01 0.18 0.50 1.03 0.00 0.00 0.00 179.25 180.96 3i0y h SER 54 N 0.81 0.85 -0.20 0.00 0.87 -0.90 -1.08 113.55 113.90 3i0y h SER 54 Ca 0.24 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 3i0y h SER 54 Cb -0.05 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 61.66 3i0y h SER 54 CO -0.07 0.60 -0.10 0.15 -0.53 0.00 0.00 176.83 176.88 3i0y h PHE 55 N 1.00 -0.24 -0.62 2.24 3.57 -0.55 -0.17 116.94 122.18 3i0y h PHE 55 Ca 0.30 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 3i0y h PHE 55 Cb -0.05 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3i0y h PHE 55 CO -0.03 -0.15 0.05 -0.07 -2.23 0.00 0.00 178.31 175.88 3i0y h LEU 56 N -0.08 1.02 -0.00 0.59 3.38 -0.97 -3.10 115.31 116.15 3i0y h LEU 56 Ca 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3i0y h LEU 56 Cb 0.24 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3i0y h LEU 56 CO -0.25 1.04 0.00 1.56 0.09 0.00 0.00 178.44 180.88 3i0y h GLN 57 N 0.98 0.01 -1.81 1.13 4.20 -0.97 -1.59 115.11 117.06 3i0y h GLN 57 Ca 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3i0y h GLN 57 Cb 0.49 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3i0y h GLN 57 CO 0.02 0.27 0.00 -2.13 -0.67 0.00 0.00 178.83 176.32 3i0y n ARG 58 N -4.96 0.19 0.00 1.46 0.63 -0.09 -1.67 116.66 112.22 3i0y n ARG 58 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 3i0y n ARG 58 Cb 0.15 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 31.66 3i0y n ARG 58 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3i0y n ASN 60 N 0.91 0.00 0.27 6.15 3.02 -0.60 -3.78 115.26 121.24 3i0y n ASN 60 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 3i0y n ASN 60 Cb 0.10 0.00 0.78 0.00 -0.61 0.00 0.00 39.78 40.05 3i0y n ASN 60 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3i0y h ASP 61 N 0.00 0.00 0.00 6.41 3.32 -1.59 -3.34 116.42 121.22 3i0y h ASP 61 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i0y h ASP 61 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i0y h ASP 61 CO 0.00 0.08 -0.94 -1.20 -1.72 0.00 0.00 179.24 175.46 3i0y n SER 62 N -3.78 4.68 -4.27 6.45 7.64 -1.25 -4.54 113.62 118.55 3i0y n SER 62 Ca -0.02 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.69 3i0y n SER 62 Cb 0.18 0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 63.92 3i0y n SER 62 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3i0y s TYR 63 N -1.91 1.44 -0.04 1.43 2.02 -1.26 -0.56 117.35 118.48 3i0y s TYR 63 Ca 0.00 -0.63 -0.01 0.00 -0.37 0.00 0.00 57.07 56.06 3i0y s TYR 63 Cb 0.00 -0.72 0.03 0.00 -0.40 0.00 0.00 41.96 40.87 3i0y s TYR 63 CO 0.00 0.18 0.08 0.50 -1.57 0.00 0.00 175.55 174.74 3i0y s ARG 64 N -3.29 0.02 0.17 -0.62 3.52 -0.67 -4.08 118.95 113.99 3i0y s ARG 64 Ca 0.15 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 3i0y s ARG 64 Cb -0.01 -0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.11 3i0y s ARG 64 CO 0.03 -0.17 0.06 -1.83 -0.81 0.00 0.00 175.30 172.58 3i0y s GLU 65 N 1.14 1.10 0.05 5.12 -1.05 -1.26 -1.01 118.70 122.79 3i0y s GLU 65 Ca -0.09 -1.55 -0.01 0.00 -0.15 0.00 0.00 54.97 53.17 3i0y s GLU 65 Cb -0.12 0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.54 3i0y s GLU 65 CO -0.04 -0.25 -0.02 1.14 0.95 0.00 0.00 175.26 177.04 3i0y s GLN 66 N -4.02 0.61 -0.21 -4.83 -2.07 -0.23 -4.86 119.66 104.04 3i0y s GLN 66 Ca 0.29 -1.18 -0.02 0.00 -1.82 0.00 0.00 55.36 52.63 3i0y s GLN 66 Cb 0.07 0.21 0.01 0.00 -1.09 0.00 0.00 33.01 32.21 3i0y s GLN 66 CO 0.06 -0.11 -0.10 -0.51 -1.32 0.00 0.00 175.29 173.31 3i0y s LEU 67 N -2.84 2.66 0.29 2.60 1.43 -1.26 -1.12 118.68 120.44 3i0y s LEU 67 Ca 0.06 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3i0y s LEU 67 Cb 0.07 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3i0y s LEU 67 CO -0.10 -0.02 0.23 -0.13 0.23 0.00 0.00 176.35 176.56 3i0y s ARG 68 N 1.40 2.83 -1.38 1.70 0.52 0.00 -4.76 118.95 119.26 3i0y s ARG 68 Ca 0.05 -1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 3i0y s ARG 68 Cb -0.14 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.84 3i0y s ARG 68 CO -0.07 0.28 0.73 -0.25 0.02 0.00 0.00 175.30 176.01 3i0y n ASP 69 N -1.25 -1.91 -4.69 0.23 8.00 -1.26 -1.13 116.55 114.54 3i0y n ASP 69 Ca -0.05 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 3i0y n ASP 69 Cb 0.59 -3.87 -0.03 0.00 -0.02 0.00 0.00 41.12 37.79 3i0y n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i0y s ILE 70 N -3.62 4.70 -0.23 0.53 1.01 -1.26 -4.33 121.20 118.01 3i0y s ILE 70 Ca 0.17 1.97 0.02 0.00 0.00 0.00 0.00 60.65 62.81 3i0y s ILE 70 Cb -0.08 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.17 3i0y s ILE 70 CO 0.83 0.00 -0.13 -0.69 0.00 0.00 0.00 174.94 174.95 3i0y s VAL 71 N 2.03 2.05 -0.13 2.92 1.01 0.00 -4.97 120.40 123.32 3i0y s VAL 71 Ca 0.50 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3i0y s VAL 71 Cb -0.19 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3i0y s VAL 71 CO 0.19 0.16 0.10 -0.69 0.00 0.00 0.00 175.10 174.86 3i0y s VAL 72 N 1.20 5.18 0.10 2.92 1.01 -1.26 -1.22 120.40 128.33 3i0y s VAL 72 Ca -0.04 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.10 3i0y s VAL 72 Cb -0.17 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3i0y s VAL 72 CO -0.08 0.57 -0.17 0.42 0.00 0.00 0.00 175.10 175.85 3i0y s THR 73 N -0.61 1.42 0.16 3.92 -4.23 0.84 -4.98 115.64 112.14 3i0y s THR 73 Ca 0.12 -1.53 -0.11 0.00 -1.18 0.00 0.00 61.69 59.00 3i0y s THR 73 Cb -0.12 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.33 3i0y s THR 73 CO 0.02 -0.22 0.32 0.00 -0.54 0.00 0.00 174.62 174.20 3i0y s ALA 74 N -1.50 -0.23 0.60 3.99 0.00 -1.26 -0.82 121.76 122.55 3i0y s ALA 74 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 3i0y s ALA 74 Cb -0.08 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.87 3i0y s ALA 74 CO 0.03 -0.65 0.87 0.54 0.00 0.00 0.00 175.76 176.55 3i0y s ASN 75 N -2.93 5.27 0.42 0.00 2.20 -0.78 -5.01 114.94 114.10 3i0y s ASN 75 Ca 0.13 0.36 0.16 0.00 -0.94 0.00 0.00 52.86 52.57 3i0y s ASN 75 Cb 0.03 -1.24 0.91 0.00 -2.00 0.00 0.00 41.25 38.95 3i0y s ASN 75 CO -0.03 -1.22 1.90 0.44 -2.94 0.00 0.00 177.10 175.26 3i0y h ASP 76 N -0.17 0.00 0.65 3.54 3.32 -1.99 -1.30 116.42 120.47 3i0y h ASP 76 Ca -0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 3i0y h ASP 76 Cb 1.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 3i0y h ASP 76 CO 0.58 0.28 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.90 3i0y h GLU 77 N 0.00 0.00 -2.30 3.56 3.07 -1.95 -3.32 114.58 113.64 3i0y h GLU 77 Ca -0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 3i0y h GLU 77 Cb 0.53 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.47 3i0y h GLU 77 CO 0.04 0.15 -0.30 0.41 -1.40 0.00 0.00 179.01 177.91 3i0y n GLY 78 N -0.28 0.04 0.00 -3.84 0.00 -0.49 -4.54 105.19 96.09 3i0y n GLY 78 Ca -0.01 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.70 3i0y n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i0y n THR 79 N -3.91 0.00 -4.17 2.61 -2.24 -1.26 -4.64 114.28 100.67 3i0y n THR 79 Ca -0.07 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 3i0y n THR 79 Cb 0.57 0.71 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 3i0y n THR 79 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i0y s ARG 80 N -2.06 0.83 -0.03 -0.78 1.81 -1.26 -1.15 118.95 116.30 3i0y s ARG 80 Ca 0.00 -0.11 0.03 0.00 -1.72 0.00 0.00 55.73 53.94 3i0y s ARG 80 Cb 0.05 -0.83 0.00 0.00 -0.45 0.00 0.00 34.95 33.72 3i0y s ARG 80 CO 0.31 -0.08 -0.12 0.08 -0.68 0.00 0.00 175.30 174.81 3i0y s VAL 81 N 0.89 1.04 0.05 3.52 1.01 -0.61 -1.87 120.40 124.44 3i0y s VAL 81 Ca -0.12 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3i0y s VAL 81 Cb -0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3i0y s VAL 81 CO 0.00 0.31 -0.01 -0.83 0.00 0.00 0.00 175.10 174.57 3i0y s GLY 82 N 0.11 1.88 -0.03 4.51 0.00 0.00 -0.26 107.32 113.54 3i0y s GLY 82 Ca -0.03 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.63 3i0y s GLY 82 CO 0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 173.10 172.11 3i0y s ALA 83 N -1.21 0.33 0.10 3.20 0.00 0.19 -0.12 121.76 124.26 3i0y s ALA 83 Ca 0.23 0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.41 3i0y s ALA 83 Cb -0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3i0y s ALA 83 CO 0.15 -0.05 -0.18 -2.00 0.00 0.00 0.00 175.76 173.68 3i0y s GLU 84 N 0.91 1.85 0.38 0.00 2.12 -0.35 -0.37 118.70 123.24 3i0y s GLU 84 Ca -0.09 -1.14 -0.14 0.00 0.36 0.00 0.00 54.97 53.96 3i0y s GLU 84 Cb -0.13 -2.13 0.06 0.00 0.26 0.00 0.00 34.13 32.19 3i0y s GLU 84 CO -0.01 0.49 0.76 2.48 -0.54 0.00 0.00 175.26 178.44 3i0y n TYR 85 N 0.94 -2.31 -4.25 5.30 0.18 -0.63 -0.82 117.16 115.57 3i0y n TYR 85 Ca -0.16 -1.79 -0.30 0.00 1.88 0.00 0.00 57.90 57.53 3i0y n TYR 85 Cb 0.53 0.89 -0.16 0.00 -0.38 0.00 0.00 39.34 40.21 3i0y n TYR 85 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3i0y s VAL 86 N -2.14 1.64 -0.09 -3.48 1.01 -0.28 -1.41 120.40 115.64 3i0y s VAL 86 Ca 0.15 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3i0y s VAL 86 Cb -0.05 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3i0y s VAL 86 CO 0.11 0.47 0.73 -0.69 0.00 0.00 0.00 175.10 175.73 3i0y s VAL 87 N 1.23 5.01 -0.12 2.92 1.01 0.88 -0.81 120.40 130.50 3i0y s VAL 87 Ca -0.00 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.50 3i0y s VAL 87 Cb -0.14 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3i0y s VAL 87 CO -0.07 0.20 -0.22 -1.00 0.00 0.00 0.00 175.10 174.01 3i0y s HIS 88 N 1.13 2.59 0.29 5.22 3.76 -0.27 -1.88 115.29 126.13 3i0y s HIS 88 Ca 0.38 -1.22 -0.13 0.00 -0.15 0.00 0.00 55.06 53.94 3i0y s HIS 88 Cb -0.18 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.77 3i0y s HIS 88 CO 0.17 -0.54 0.58 0.20 -0.85 0.00 0.00 174.74 174.30 3i0y s GLY 89 N 0.66 0.55 -0.00 -2.22 0.00 -0.23 -1.07 107.32 105.01 3i0y s GLY 89 Ca -0.11 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 43.80 3i0y s GLY 89 CO 0.02 -0.53 -0.16 0.54 0.00 0.00 0.00 173.10 172.97 3i0y s VAL 90 N -3.53 1.23 -0.47 1.40 0.11 -0.18 -1.15 120.40 117.82 3i0y s VAL 90 Ca 0.20 -0.73 -0.18 0.00 -2.93 0.00 0.00 61.98 58.35 3i0y s VAL 90 Cb -0.02 -1.04 0.05 0.00 -1.53 0.00 0.00 36.38 33.84 3i0y s VAL 90 CO 0.11 0.30 0.50 -0.47 -3.33 0.00 0.00 175.10 172.21 3i0y s TYR 91 N -0.44 3.14 -0.04 1.54 5.04 0.34 -1.67 117.35 125.26 3i0y s TYR 91 Ca 0.06 -0.56 0.11 0.00 -2.44 0.00 0.00 57.07 54.23 3i0y s TYR 91 Cb -0.06 -3.21 -0.16 0.00 0.35 0.00 0.00 41.96 38.87 3i0y s TYR 91 CO -0.00 -0.85 0.19 -2.39 -1.34 0.00 0.00 175.55 171.15 3i0y n HIS 92 N 5.74 0.00 -3.70 4.97 1.44 0.28 -2.22 115.22 121.73 3i0y n HIS 92 Ca -0.08 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.46 3i0y n HIS 92 Cb 0.46 -0.32 -0.17 0.00 0.12 0.00 0.00 29.99 30.08 3i0y n HIS 92 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3i0y s THR 93 N -2.64 -0.13 0.22 0.61 2.01 -1.11 -4.71 115.64 109.89 3i0y s THR 93 Ca -0.04 0.34 -0.31 0.00 0.31 0.00 0.00 61.69 61.99 3i0y s THR 93 Cb 0.06 -0.18 -0.15 0.00 0.01 0.00 0.00 72.50 72.24 3i0y s THR 93 CO 0.45 0.14 1.04 0.41 -0.69 0.00 0.00 174.62 175.97 3i0y n THR 94 N 4.94 1.42 -4.43 -0.82 -1.04 -1.26 -4.45 114.28 108.64 3i0y n THR 94 Ca -0.12 -0.36 -0.24 0.00 -2.04 0.00 0.00 64.05 61.30 3i0y n THR 94 Cb 0.50 -0.80 -0.09 0.00 -1.82 0.00 0.00 70.33 68.12 3i0y n THR 94 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3i0y s ASP 95 N -0.32 3.88 0.37 8.00 2.15 -1.26 -4.93 116.67 124.56 3i0y s ASP 95 Ca 0.67 -0.98 -0.28 0.00 0.43 0.00 0.00 52.55 52.39 3i0y s ASP 95 Cb -0.81 -0.45 -0.11 0.00 -0.30 0.00 0.00 42.92 41.25 3i0y s ASP 95 CO 0.56 -0.05 1.48 -1.84 -0.17 0.00 0.00 175.17 175.16 3i0y n GLU 96 N -0.75 2.65 -3.48 4.34 0.00 -1.26 -3.16 120.64 118.98 3i0y n GLU 96 Ca -0.05 0.93 -0.18 0.00 0.00 0.00 0.00 57.16 57.86 3i0y n GLU 96 Cb 0.61 -2.66 0.08 0.00 0.00 0.00 0.00 31.44 29.47 3i0y n GLU 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i0y n GLY 97 N 0.58 -0.37 3.51 -1.84 0.00 -1.26 -5.02 105.19 100.79 3i0y n GLY 97 Ca 0.02 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 3i0y n GLY 97 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i0y s LEU 98 N -6.49 -0.54 1.10 0.99 2.34 -1.19 -5.16 118.68 109.73 3i0y s LEU 98 Ca 0.06 0.43 -0.13 0.00 0.06 0.00 0.00 54.13 54.55 3i0y s LEU 98 Cb -0.03 2.34 0.21 0.00 -0.56 0.00 0.00 46.19 48.16 3i0y s LEU 98 CO 0.74 -0.62 0.81 -0.81 -1.06 0.00 0.00 176.35 175.40 3i0y n PRO 99 N 0.49 -1.79 -1.71 1.48 -0.04 -1.26 -4.73 135.00 127.43 3i0y n PRO 99 Ca -0.15 -0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 62.39 3i0y n PRO 99 Cb 0.59 -2.10 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 3i0y n PRO 99 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i0y n ASP 100 N -3.96 3.22 -4.76 3.54 5.75 -1.26 -4.58 116.55 114.50 3i0y n ASP 100 Ca 0.04 1.16 -0.39 0.00 -0.01 0.00 0.00 54.79 55.59 3i0y n ASP 100 Cb 0.55 -1.51 0.01 0.00 -1.03 0.00 0.00 41.12 39.15 3i0y n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i0y s ALA 101 N -0.25 3.09 0.00 2.12 0.00 -1.26 -4.94 121.76 120.52 3i0y s ALA 101 Ca 0.64 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3i0y s ALA 101 Cb -0.57 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.02 3i0y s ALA 101 CO 0.52 -1.07 0.28 -1.71 0.00 0.00 0.00 175.76 173.78 3i0y n ASN 102 N -0.38 0.00 -0.03 0.00 2.85 -1.25 -4.81 115.26 111.65 3i0y n ASN 102 Ca 0.06 -1.00 -0.00 0.00 -0.11 0.00 0.00 54.58 53.53 3i0y n ASN 102 Cb 0.44 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.46 3i0y n ASN 102 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i0y n GLY 103 N 0.00 0.39 3.74 8.20 0.00 -0.94 -5.02 105.19 111.56 3i0y n GLY 103 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3i0y n GLY 103 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i0y n GLN 104 N -2.32 2.75 -4.00 1.61 3.00 -1.21 -4.77 117.38 112.44 3i0y n GLN 104 Ca -0.00 0.98 -0.32 0.00 -0.01 0.00 0.00 57.00 57.65 3i0y n GLN 104 Cb 0.18 -2.79 -0.06 0.00 0.00 0.00 0.00 30.24 27.57 3i0y n GLN 104 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3i0y s THR 105 N 0.33 4.97 0.03 5.09 -4.23 -1.26 -0.50 115.64 120.07 3i0y s THR 105 Ca 0.67 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 3i0y s THR 105 Cb -0.49 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 3i0y s THR 105 CO 0.44 0.23 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.97 3i0y s TYR 106 N -1.35 0.51 -0.07 3.99 1.13 -0.30 -4.73 117.35 116.52 3i0y s TYR 106 Ca 0.28 -0.47 -0.03 0.00 -1.41 0.00 0.00 57.07 55.44 3i0y s TYR 106 Cb -0.12 -0.32 0.04 0.00 -1.10 0.00 0.00 41.96 40.46 3i0y s TYR 106 CO 0.21 -0.11 0.15 0.08 -2.51 0.00 0.00 175.55 173.36 3i0y s VAL 107 N -1.30 -0.17 -0.03 -3.49 1.01 -1.26 -1.07 120.40 114.10 3i0y s VAL 107 Ca -0.11 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3i0y s VAL 107 Cb -0.09 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 36.11 3i0y s VAL 107 CO -0.00 0.12 0.79 -1.48 0.00 0.00 0.00 175.10 174.52 3i0y s LEU 108 N 1.81 -0.51 0.69 3.92 2.34 -0.79 -4.98 118.68 121.17 3i0y s LEU 108 Ca -0.02 0.35 -0.11 0.00 0.06 0.00 0.00 54.13 54.41 3i0y s LEU 108 Cb -0.12 2.28 0.00 0.00 -0.56 0.00 0.00 46.19 47.79 3i0y s LEU 108 CO -0.06 -0.62 1.06 -2.16 -1.06 0.00 0.00 176.35 173.52 3i0y s PRO 109 N -2.07 2.99 0.36 1.48 0.04 -1.26 -0.09 135.00 136.44 3i0y s PRO 109 Ca -0.03 0.78 -0.08 0.00 0.04 0.00 0.00 61.00 61.71 3i0y s PRO 109 Cb -0.01 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3i0y s PRO 109 CO -0.01 -1.02 0.61 0.41 0.04 0.00 0.00 177.00 177.04 3i0y n GLY 110 N -2.36 1.58 3.51 0.56 0.00 -0.50 -4.43 105.19 103.55 3i0y n GLY 110 Ca 0.07 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 3i0y n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i0y s GLY 111 N -3.03 -0.48 0.07 -0.02 0.00 -0.21 -1.60 107.32 102.05 3i0y s GLY 111 Ca 0.22 0.70 -0.08 0.00 0.00 0.00 0.00 44.72 45.55 3i0y s GLY 111 CO 0.16 0.23 0.17 0.00 0.00 0.00 0.00 173.10 173.66 3i0y s ALA 112 N -3.38 -0.22 0.08 3.20 0.00 0.51 -0.39 121.76 121.56 3i0y s ALA 112 Ca 0.05 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.56 3i0y s ALA 112 Cb -0.01 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3i0y s ALA 112 CO -0.09 -0.44 -0.21 -0.06 0.00 0.00 0.00 175.76 174.97 3i0y s PHE 113 N -3.32 1.81 -0.02 0.00 0.08 -0.13 -0.64 117.98 115.76 3i0y s PHE 113 Ca 0.01 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.68 3i0y s PHE 113 Cb 0.03 -1.02 -0.00 0.00 -0.57 0.00 0.00 43.02 41.45 3i0y s PHE 113 CO -0.08 0.17 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.06 3i0y s PHE 114 N -1.03 0.85 -0.15 0.36 0.40 0.64 -0.96 117.98 118.09 3i0y s PHE 114 Ca 0.07 -0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.06 3i0y s PHE 114 Cb -0.10 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 3i0y s PHE 114 CO 0.03 -0.05 0.36 -0.51 0.70 0.00 0.00 175.22 175.75 3i0y s ASP 115 N -0.01 6.52 -0.21 1.36 1.01 -0.93 -1.58 116.67 122.84 3i0y s ASP 115 Ca 0.00 0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.88 3i0y s ASP 115 Cb -0.06 -2.22 0.03 0.00 1.01 0.00 0.00 42.92 41.68 3i0y s ASP 115 CO -0.00 0.06 -0.16 -0.69 0.21 0.00 0.00 175.17 174.59 3i0y s VAL 116 N 0.56 2.25 -0.05 -1.27 1.01 -0.30 -0.75 120.40 121.85 3i0y s VAL 116 Ca 0.20 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3i0y s VAL 116 Cb -0.14 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.21 3i0y s VAL 116 CO 0.06 0.39 0.12 -0.13 0.00 0.00 0.00 175.10 175.54 3i0y s ARG 117 N 1.27 0.12 -1.52 2.72 1.81 -0.44 -4.34 118.95 118.57 3i0y s ARG 117 Ca 0.02 0.22 -0.13 0.00 -1.72 0.00 0.00 55.73 54.12 3i0y s ARG 117 Cb -0.15 -0.00 0.08 0.00 -0.45 0.00 0.00 34.95 34.43 3i0y s ARG 117 CO -0.10 -0.06 0.96 -0.25 -0.68 0.00 0.00 175.30 175.17 3i0y n ASP 118 N 3.35 -4.51 0.00 0.23 8.00 -1.26 -2.12 116.55 120.25 3i0y n ASP 118 Ca -0.16 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3i0y n ASP 118 Cb 0.57 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 3i0y n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i0y n GLY 119 N -1.69 0.70 3.37 0.44 0.00 -1.26 -5.01 105.19 101.73 3i0y n GLY 119 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3i0y n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i0y s GLN 120 N -0.07 1.79 -0.24 1.61 -0.21 -0.90 -5.05 119.66 116.59 3i0y s GLN 120 Ca 0.00 -2.06 -0.20 0.00 0.02 0.00 0.00 55.36 53.13 3i0y s GLN 120 Cb 0.00 -0.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.95 3i0y s GLN 120 CO 0.00 -0.57 0.59 0.42 -2.12 0.00 0.00 175.29 173.61 3i0y s ILE 121 N -3.40 5.02 -1.09 1.08 1.01 -0.10 -1.32 121.20 122.40 3i0y s ILE 121 Ca 0.34 1.08 0.16 0.00 0.00 0.00 0.00 60.65 62.23 3i0y s ILE 121 Cb 0.03 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 3i0y s ILE 121 CO 0.22 0.08 0.76 0.35 0.00 0.00 0.00 174.94 176.34 3i0y n THR 122 N 5.00 0.00 -3.68 2.92 -2.24 0.07 -0.89 114.28 115.46 3i0y n THR 122 Ca -0.02 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 3i0y n THR 122 Cb 0.49 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.72 3i0y n THR 122 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i0y s ARG 123 N -2.26 0.65 -0.19 -0.78 3.52 -1.23 -1.38 118.95 117.27 3i0y s ARG 123 Ca 0.09 0.81 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 3i0y s ARG 123 Cb 0.13 0.29 0.05 0.00 -1.56 0.00 0.00 34.95 33.85 3i0y s ARG 123 CO 0.55 -0.09 -0.07 0.08 -0.81 0.00 0.00 175.30 174.97 3i0y s VAL 124 N 0.45 1.36 -0.28 7.11 1.01 0.21 -2.18 120.40 128.07 3i0y s VAL 124 Ca -0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3i0y s VAL 124 Cb -0.04 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.86 3i0y s VAL 124 CO -0.01 0.09 -0.04 -0.89 0.00 0.00 0.00 175.10 174.24 3i0y s THR 125 N 1.51 2.70 -0.09 3.92 2.01 -0.13 -0.70 115.64 124.86 3i0y s THR 125 Ca -0.01 -1.46 -0.04 0.00 0.31 0.00 0.00 61.69 60.48 3i0y s THR 125 Cb -0.16 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 3i0y s THR 125 CO -0.08 -0.07 0.09 0.21 -0.69 0.00 0.00 174.62 174.08 3i0y s ASN 126 N 1.20 5.90 0.03 3.53 2.47 -0.90 -0.95 114.94 126.22 3i0y s ASN 126 Ca -0.06 0.31 0.02 0.00 0.42 0.00 0.00 52.86 53.55 3i0y s ASN 126 Cb -0.20 -1.81 -0.02 0.00 -1.45 0.00 0.00 41.25 37.78 3i0y s ASN 126 CO -0.03 0.38 -0.06 -0.31 -3.72 0.00 0.00 177.10 173.36 3i0y s TYR 127 N -1.01 0.56 0.09 0.43 2.02 0.48 -3.61 117.35 116.31 3i0y s TYR 127 Ca 0.16 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.18 3i0y s TYR 127 Cb -0.12 -0.34 0.09 0.00 -0.40 0.00 0.00 41.96 41.19 3i0y s TYR 127 CO 0.05 -0.08 1.09 1.52 -1.57 0.00 0.00 175.55 176.56 3i0y s TYR 128 N -1.09 -0.09 -0.70 2.71 1.13 -1.26 -1.04 117.35 117.00 3i0y s TYR 128 Ca -0.08 -0.14 -0.24 0.00 -1.41 0.00 0.00 57.07 55.20 3i0y s TYR 128 Cb -0.08 0.61 0.06 0.00 -1.10 0.00 0.00 41.96 41.45 3i0y s TYR 128 CO 0.00 -0.62 1.08 1.21 -2.51 0.00 0.00 175.55 174.72 3i0y s ASN 129 N -2.98 6.19 0.36 -0.18 3.84 -1.26 -4.86 114.94 116.05 3i0y s ASN 129 Ca 0.13 -0.87 0.09 0.00 0.21 0.00 0.00 52.86 52.42 3i0y s ASN 129 Cb 0.01 -2.47 0.68 0.00 -0.55 0.00 0.00 41.25 38.93 3i0y s ASN 129 CO 0.00 -1.56 1.85 0.25 -2.79 0.00 0.00 177.10 174.85 3i0y h LEU 130 N 11.89 0.22 -0.57 3.21 5.85 -1.98 -2.08 115.31 131.86 3i0y h LEU 130 Ca -0.25 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 3i0y h LEU 130 Cb 1.06 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3i0y h LEU 130 CO 1.22 0.46 0.18 1.56 -0.34 0.00 0.00 178.44 181.51 3i0y h GLN 131 N 0.21 0.88 -0.45 1.25 1.08 -2.00 -0.10 115.11 115.99 3i0y h GLN 131 Ca 0.04 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 3i0y h GLN 131 Cb 0.51 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 3i0y h GLN 131 CO 0.03 0.80 0.20 1.49 -0.95 0.00 0.00 178.83 180.41 3i0y h GLU 132 N 0.80 0.66 -0.40 1.46 4.57 -1.93 -1.79 114.58 117.96 3i0y h GLU 132 Ca 0.18 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3i0y h GLU 132 Cb 0.29 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3i0y h GLU 132 CO -0.01 0.58 0.18 2.35 -1.18 0.00 0.00 179.01 180.94 3i0y h TRP 133 N 0.59 0.58 -0.78 0.92 7.01 -0.84 -1.34 115.95 122.09 3i0y h TRP 133 Ca 0.15 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 3i0y h TRP 133 Cb 0.15 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 3i0y h TRP 133 CO -0.00 0.49 0.31 0.82 -2.79 0.00 0.00 178.44 177.26 3i0y h ILE 134 N 0.50 1.26 -0.73 2.65 1.08 -0.96 -1.58 117.51 119.72 3i0y h ILE 134 Ca 0.14 -0.82 0.01 0.00 -0.39 0.00 0.00 64.86 63.80 3i0y h ILE 134 Cb 0.13 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.18 3i0y h ILE 134 CO -0.02 0.33 0.48 0.00 -0.69 0.00 0.00 178.15 178.26 3i0y h ALA 135 N 1.16 0.94 -0.11 1.87 0.00 -0.85 -1.37 119.26 120.89 3i0y h ALA 135 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3i0y h ALA 135 Cb 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i0y h ALA 135 CO -0.02 0.32 -0.08 1.96 0.00 0.00 0.00 179.25 181.44 3i0y h GLN 136 N 0.97 0.25 0.00 0.00 4.20 -0.75 -3.03 115.11 116.75 3i0y h GLN 136 Ca 0.28 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3i0y h GLN 136 Cb -0.08 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3i0y h GLN 136 CO -0.07 0.62 0.00 1.33 -0.67 0.00 0.00 178.83 180.04 3i0y n VAL 137 N -4.67 0.18 -0.90 -0.54 0.24 -0.64 -4.87 118.33 107.13 3i0y n VAL 137 Ca -0.06 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3i0y n VAL 137 Cb 0.30 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 3i0y n VAL 137 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45