#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4y s PHE 2 N 0.00 3.09 0.59 1.61 0.08 -1.26 -4.99 117.98 117.10 1i4y s PHE 2 Ca 0.00 1.59 -0.20 0.00 0.12 0.00 0.00 56.93 58.44 1i4y s PHE 2 Cb 0.00 -3.26 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 1i4y s PHE 2 CO 0.00 -1.06 1.26 -1.25 -0.10 0.00 0.00 175.22 174.08 1i4y s PRO 3 N -2.55 2.94 -0.31 0.24 0.04 -1.26 -4.98 135.00 129.12 1i4y s PRO 3 Ca 0.60 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.49 1i4y s PRO 3 Cb -0.26 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1i4y s PRO 3 CO 0.32 -1.27 0.29 0.42 0.04 0.00 0.00 177.00 176.80 1i4y s ILE 4 N -1.46 5.23 0.36 0.56 -1.09 -1.26 -5.04 121.20 118.49 1i4y s ILE 4 Ca 0.77 0.17 -0.26 0.00 -2.23 0.00 0.00 60.65 59.09 1i4y s ILE 4 Cb -0.35 -3.69 -0.12 0.00 -1.58 0.00 0.00 42.46 36.73 1i4y s ILE 4 CO 0.38 0.08 1.07 -2.65 -1.23 0.00 0.00 174.94 172.60 1i4y n PRO 5 N 5.23 1.53 -3.31 2.79 -0.02 -1.26 -4.99 135.00 134.97 1i4y n PRO 5 Ca -0.11 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 61.84 1i4y n PRO 5 Cb 0.51 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1i4y n PRO 5 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1i4y s ASP 6 N -0.58 -0.02 0.67 2.55 2.15 -1.26 -3.24 116.67 116.94 1i4y s ASP 6 Ca 0.60 0.20 -0.17 0.00 0.43 0.00 0.00 52.55 53.61 1i4y s ASP 6 Cb -0.61 1.29 -0.02 0.00 -0.30 0.00 0.00 42.92 43.29 1i4y s ASP 6 CO 0.59 -0.30 1.01 -0.81 -0.17 0.00 0.00 175.17 175.49 1i4y n PRO 7 N 5.37 0.73 -2.42 4.34 -0.04 -1.26 -5.05 135.00 136.67 1i4y n PRO 7 Ca -0.02 0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 63.36 1i4y n PRO 7 Cb 0.50 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 1i4y n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1i4y s TYR 8 N -1.64 2.26 0.04 0.54 6.14 -1.20 -4.91 117.35 118.58 1i4y s TYR 8 Ca 0.76 -0.24 -0.06 0.00 0.64 0.00 0.00 57.07 58.16 1i4y s TYR 8 Cb -0.38 -4.51 -0.01 0.00 0.42 0.00 0.00 41.96 37.48 1i4y s TYR 8 CO 0.47 -1.97 0.12 0.08 0.64 0.00 0.00 175.55 174.89 1i4y s VAL 9 N 6.43 0.13 0.52 3.14 1.01 -1.26 -4.46 120.40 125.90 1i4y s VAL 9 Ca 0.49 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1i4y s VAL 9 Cb -0.04 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1i4y s VAL 9 CO 0.00 -0.58 1.18 0.86 0.00 0.00 0.00 175.10 176.57 1i4y s TRP 10 N -2.58 2.66 0.04 5.22 -0.00 -1.26 -4.87 118.94 118.16 1i4y s TRP 10 Ca -0.05 1.52 -0.03 0.00 -0.00 0.00 0.00 56.10 57.54 1i4y s TRP 10 Cb -0.01 -3.41 -0.03 0.00 -0.00 0.00 0.00 33.47 30.02 1i4y s TRP 10 CO -0.04 -1.80 0.02 0.16 -0.00 0.00 0.00 176.95 175.29 1i4y s ASP 11 N -1.51 0.33 0.66 5.86 1.47 -1.26 -5.05 116.67 117.17 1i4y s ASP 11 Ca 0.70 -0.75 0.14 0.00 1.18 0.00 0.00 52.55 53.82 1i4y s ASP 11 Cb -0.28 0.20 0.76 0.00 -0.34 0.00 0.00 42.92 43.26 1i4y s ASP 11 CO 0.33 -0.53 1.43 -0.65 0.68 0.00 0.00 175.17 176.43 1i4y h PRO 12 N 3.54 0.00 0.00 2.11 0.11 -2.01 -0.30 132.00 135.45 1i4y h PRO 12 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1i4y h PRO 12 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i4y h PRO 12 CO 0.56 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 1i4y n SER 13 N -2.71 0.40 -0.60 -2.05 3.41 -1.26 -2.30 113.62 108.51 1i4y n SER 13 Ca -0.00 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1i4y n SER 13 Cb 0.73 -0.67 0.24 0.00 -0.26 0.00 0.00 64.21 64.25 1i4y n SER 13 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1i4y n PHE 14 N -1.92 0.00 -1.67 7.33 3.01 -0.12 -4.98 117.46 119.11 1i4y n PHE 14 Ca 0.04 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.03 1i4y n PHE 14 Cb 0.25 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.66 1i4y n PHE 14 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1i4y n ARG 15 N 0.37 2.06 -0.01 -1.08 0.63 -0.97 -4.89 116.66 112.78 1i4y n ARG 15 Ca 0.14 0.75 0.10 0.00 -0.92 0.00 0.00 57.85 57.92 1i4y n ARG 15 Cb 0.46 -2.52 -0.14 0.00 0.45 0.00 0.00 32.46 30.71 1i4y n ARG 15 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1i4y n THR 16 N 3.70 0.00 -0.85 5.15 -2.24 -1.26 -4.98 114.28 113.79 1i4y n THR 16 Ca 0.18 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1i4y n THR 16 Cb 0.28 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1i4y n THR 16 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i4y n PHE 17 N -1.89 0.00 -3.85 4.78 3.72 -1.26 -4.82 117.46 114.14 1i4y n PHE 17 Ca -0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1i4y n PHE 17 Cb 0.44 -0.19 -0.13 0.00 -0.94 0.00 0.00 39.48 38.66 1i4y n PHE 17 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1i4y s TYR 18 N -2.00 3.26 0.18 1.38 2.02 -1.26 -5.02 117.35 115.92 1i4y s TYR 18 Ca 0.00 -1.71 -0.19 0.00 -0.37 0.00 0.00 57.07 54.80 1i4y s TYR 18 Cb 0.00 -2.19 0.13 0.00 -0.40 0.00 0.00 41.96 39.50 1i4y s TYR 18 CO 0.00 -0.78 1.61 0.77 -1.57 0.00 0.00 175.55 175.58 1i4y h SER 19 N 8.08 -0.89 0.22 2.29 0.02 -1.99 -1.29 113.55 120.00 1i4y h SER 19 Ca -0.22 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1i4y h SER 19 Cb 1.07 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 1i4y h SER 19 CO 0.56 -0.27 -0.17 -0.29 -1.14 0.00 0.00 176.83 175.52 1i4y h ILE 20 N -0.14 0.63 -0.12 3.27 2.10 -1.99 -1.81 117.51 119.45 1i4y h ILE 20 Ca 0.23 0.00 0.04 0.00 1.08 0.00 0.00 64.86 66.21 1i4y h ILE 20 Cb 0.50 0.63 -0.05 0.00 -1.09 0.00 0.00 36.82 36.81 1i4y h ILE 20 CO -0.59 0.00 -0.18 0.40 -1.08 0.00 0.00 178.15 176.70 1i4y h ILE 21 N -0.40 0.54 -0.78 2.19 1.08 -1.95 0.08 117.51 118.29 1i4y h ILE 21 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1i4y h ILE 21 Cb 0.36 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 1i4y h ILE 21 CO -0.01 0.00 0.49 0.44 -0.69 0.00 0.00 178.15 178.38 1i4y h ASP 22 N -0.23 0.91 -0.34 1.72 3.32 -1.21 0.17 116.42 120.76 1i4y h ASP 22 Ca 0.09 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1i4y h ASP 22 Cb 0.36 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1i4y h ASP 22 CO -0.25 0.68 -0.27 0.44 -1.72 0.00 0.00 179.24 178.12 1i4y h ASP 23 N 1.06 0.88 -0.54 6.45 3.45 -0.78 -2.26 116.42 124.69 1i4y h ASP 23 Ca 0.28 -0.35 -0.07 0.00 0.43 0.00 0.00 57.03 57.32 1i4y h ASP 23 Cb -0.08 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.43 1i4y h ASP 23 CO -0.06 1.10 0.05 -0.33 -1.57 0.00 0.00 179.24 178.43 1i4y h GLU 24 N 0.73 0.92 -0.75 3.56 5.08 0.00 -2.57 114.58 121.56 1i4y h GLU 24 Ca 0.09 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1i4y h GLU 24 Cb 0.82 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 1i4y h GLU 24 CO 0.07 0.91 0.49 0.45 -1.00 0.00 0.00 179.01 179.93 1i4y h HIS 25 N 0.80 0.82 -0.37 4.33 3.86 -0.52 -0.90 115.15 123.18 1i4y h HIS 25 Ca 0.16 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1i4y h HIS 25 Cb 0.47 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1i4y h HIS 25 CO 0.03 0.44 0.23 0.87 0.86 0.00 0.00 177.93 180.36 1i4y h LYS 26 N 0.82 0.49 -0.05 2.45 1.57 -0.99 -1.80 116.57 119.06 1i4y h LYS 26 Ca 0.32 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.91 1i4y h LYS 26 Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1i4y h LYS 26 CO -0.10 0.34 -0.64 1.79 -0.57 0.00 0.00 179.45 180.27 1i4y h THR 27 N 0.50 1.41 -0.40 -0.16 1.35 -1.11 -2.79 112.91 111.71 1i4y h THR 27 Ca 0.13 -2.09 -0.06 0.00 -0.55 0.00 0.00 66.41 63.84 1i4y h THR 27 Cb -0.03 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1i4y h THR 27 CO -0.03 0.61 0.00 -0.07 -0.25 0.00 0.00 175.52 175.79 1i4y h LEU 28 N 0.13 0.69 -0.39 3.87 3.38 -1.10 -0.96 115.31 120.93 1i4y h LEU 28 Ca -0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1i4y h LEU 28 Cb 1.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1i4y h LEU 28 CO 0.10 0.82 0.19 -0.26 0.09 0.00 0.00 178.44 179.38 1i4y h PHE 29 N 0.53 0.55 -0.34 1.13 -1.00 -1.45 -1.89 116.94 114.48 1i4y h PHE 29 Ca 0.11 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 1i4y h PHE 29 Cb 0.47 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1i4y h PHE 29 CO 0.04 0.45 -0.01 -0.97 -1.61 0.00 0.00 178.31 176.21 1i4y h ASN 30 N 0.49 0.49 -0.31 2.17 -1.24 -1.41 -0.22 115.58 115.55 1i4y h ASN 30 Ca 0.13 -0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 1i4y h ASN 30 Cb 0.10 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1i4y h ASN 30 CO -0.02 0.57 0.09 1.23 -1.29 0.00 0.00 177.43 178.01 1i4y h GLY 31 N 0.84 0.52 1.89 1.57 0.00 -0.75 -2.75 103.07 104.39 1i4y h GLY 31 Ca 0.11 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1i4y h GLY 31 CO 0.01 0.30 -0.51 -2.22 0.00 0.00 0.00 176.54 174.11 1i4y h ILE 32 N 0.34 1.36 -0.12 2.60 2.04 -1.09 -2.70 117.51 119.93 1i4y h ILE 32 Ca 0.10 -1.77 0.03 0.00 1.00 0.00 0.00 64.86 64.22 1i4y h ILE 32 Cb 0.26 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1i4y h ILE 32 CO -0.00 0.51 -0.09 0.15 0.00 0.00 0.00 178.15 178.73 1i4y h PHE 33 N 0.09 -0.21 -0.08 1.37 3.57 -0.81 -1.88 116.94 118.99 1i4y h PHE 33 Ca 0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 1i4y h PHE 33 Cb 0.94 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1i4y h PHE 33 CO 0.01 -0.14 -0.58 0.45 -2.23 0.00 0.00 178.31 175.83 1i4y h HIS 34 N -0.09 0.32 -0.95 0.41 3.86 -1.46 -2.95 115.15 114.30 1i4y h HIS 34 Ca 0.08 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1i4y h HIS 34 Cb 0.21 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 1i4y h HIS 34 CO -0.21 0.77 0.60 1.25 0.86 0.00 0.00 177.93 181.20 1i4y h LEU 35 N 0.19 0.96 -1.46 2.43 6.46 -1.20 0.14 115.31 122.83 1i4y h LEU 35 Ca -0.00 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.72 1i4y h LEU 35 Cb 1.07 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1i4y h LEU 35 CO 0.09 0.61 -0.21 0.00 -0.62 0.00 0.00 178.44 178.31 1i4y h ALA 36 N 1.44 1.56 0.02 1.25 0.00 -1.17 -2.27 119.26 120.08 1i4y h ALA 36 Ca 0.41 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1i4y h ALA 36 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1i4y h ALA 36 CO -0.18 0.33 -0.64 0.82 0.00 0.00 0.00 179.25 179.58 1i4y h ILE 37 N 0.08 1.39 -3.09 0.00 2.04 -1.18 -3.44 117.51 113.30 1i4y h ILE 37 Ca 0.01 -2.31 -0.55 0.00 1.00 0.00 0.00 64.86 63.02 1i4y h ILE 37 Cb 0.42 2.90 -0.40 0.00 -0.74 0.00 0.00 36.82 39.00 1i4y h ILE 37 CO 0.03 0.52 -0.76 -0.62 0.00 0.00 0.00 178.15 177.32 1i4y s ASP 38 N -6.57 3.58 -1.41 1.72 -1.08 0.39 -5.05 116.67 108.24 1i4y s ASP 38 Ca -0.22 -1.31 -0.14 0.00 -0.52 0.00 0.00 52.55 50.35 1i4y s ASP 38 Cb 0.01 -0.65 0.06 0.00 -1.46 0.00 0.00 42.92 40.88 1i4y s ASP 38 CO 0.67 -0.39 2.08 -0.67 0.52 0.00 0.00 175.17 177.38 1i4y n ASP 39 N 5.01 4.22 -4.70 -0.34 4.64 -0.86 -4.25 116.55 120.27 1i4y n ASP 39 Ca -0.05 -2.88 -0.32 0.00 -1.38 0.00 0.00 54.79 50.16 1i4y n ASP 39 Cb 0.43 -1.66 -0.06 0.00 -1.04 0.00 0.00 41.12 38.80 1i4y n ASP 39 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1i4y n ASN 40 N 6.37 3.32 -0.20 1.67 2.04 -1.26 -5.03 115.26 122.17 1i4y n ASN 40 Ca 0.50 -3.18 -0.07 0.00 -0.44 0.00 0.00 54.58 51.38 1i4y n ASN 40 Cb 0.40 0.30 0.03 0.00 -2.53 0.00 0.00 39.78 37.98 1i4y n ASN 40 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1i4y h ALA 41 N 1.18 0.75 -0.23 -2.53 0.00 -1.98 -1.56 119.26 114.88 1i4y h ALA 41 Ca -0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1i4y h ALA 41 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1i4y h ALA 41 CO 0.68 0.34 0.10 -0.44 0.00 0.00 0.00 179.25 179.93 1i4y h ASP 42 N 0.79 0.31 -0.20 0.00 5.19 -1.97 0.24 116.42 120.78 1i4y h ASP 42 Ca 0.19 -0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 56.34 1i4y h ASP 42 Cb 0.18 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1i4y h ASP 42 CO -0.02 0.38 -0.23 0.78 -3.12 0.00 0.00 179.24 177.03 1i4y h ASN 43 N 0.23 0.67 -0.06 6.45 2.35 -1.85 -0.75 115.58 122.62 1i4y h ASN 43 Ca 0.08 -0.23 -0.15 0.00 -0.55 0.00 0.00 56.30 55.45 1i4y h ASN 43 Cb 0.16 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1i4y h ASN 43 CO -0.01 0.89 -0.46 0.25 -1.65 0.00 0.00 177.43 176.45 1i4y h LEU 44 N 0.58 0.67 -0.19 1.61 5.85 -1.13 -2.56 115.31 120.13 1i4y h LEU 44 Ca 0.08 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1i4y h LEU 44 Cb 0.70 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1i4y h LEU 44 CO 0.05 1.03 0.11 1.23 -0.34 0.00 0.00 178.44 180.52 1i4y h GLY 45 N 1.01 0.28 0.66 3.75 0.00 -0.05 0.12 103.07 108.85 1i4y h GLY 45 Ca 0.03 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1i4y h GLY 45 CO 0.09 0.12 0.20 -2.09 0.00 0.00 0.00 176.54 174.87 1i4y h GLU 46 N 0.21 0.39 -0.49 4.80 4.57 -1.06 0.16 114.58 123.16 1i4y h GLU 46 Ca 0.07 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1i4y h GLU 46 Cb 0.05 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1i4y h GLU 46 CO -0.01 0.26 -0.03 1.25 -1.18 0.00 0.00 179.01 179.30 1i4y h LEU 47 N 0.41 0.88 -0.75 1.64 5.85 -1.26 -2.20 115.31 119.87 1i4y h LEU 47 Ca 0.21 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1i4y h LEU 47 Cb 0.17 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1i4y h LEU 47 CO -0.18 0.98 0.43 -0.09 -0.34 0.00 0.00 178.44 179.24 1i4y h ARG 48 N 0.75 1.03 0.69 1.25 9.65 -0.14 0.25 114.38 127.86 1i4y h ARG 48 Ca 0.14 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1i4y h ARG 48 Cb 0.55 -0.21 0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1i4y h ARG 48 CO 0.03 0.75 -0.33 -0.09 2.80 0.00 0.00 179.97 183.13 1i4y h ARG 49 N 1.03 -0.89 -0.68 0.20 2.43 -0.59 -0.83 114.38 115.05 1i4y h ARG 49 Ca 0.27 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.54 1i4y h ARG 49 Cb 0.00 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1i4y h ARG 49 CO -0.05 -0.57 0.45 0.00 -1.51 0.00 0.00 179.97 178.29 1i4y h THR 51 N 0.77 1.29 -0.27 0.00 2.02 -0.45 -0.28 112.91 115.98 1i4y h THR 51 Ca 0.28 -1.61 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1i4y h THR 51 Cb 0.14 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1i4y h THR 51 CO -0.08 0.52 0.07 1.23 0.37 0.00 0.00 175.52 177.62 1i4y h GLY 52 N 0.55 0.47 0.83 2.16 0.00 -0.63 -0.98 103.07 105.48 1i4y h GLY 52 Ca 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1i4y h GLY 52 CO 0.10 0.27 -0.00 1.70 0.00 0.00 0.00 176.54 178.61 1i4y h LYS 53 N 0.27 -0.01 -0.03 4.80 3.64 -1.16 -1.67 116.57 122.42 1i4y h LYS 53 Ca 0.09 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1i4y h LYS 53 Cb 0.28 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1i4y h LYS 53 CO 0.00 0.16 -0.06 1.25 -2.27 0.00 0.00 179.45 178.53 1i4y h HIS 54 N -0.18 -0.15 -0.91 1.91 2.76 -1.01 0.10 115.15 117.68 1i4y h HIS 54 Ca -0.00 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1i4y h HIS 54 Cb 0.18 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 1i4y h HIS 54 CO -0.02 -0.10 0.58 0.74 -1.30 0.00 0.00 177.93 177.83 1i4y h PHE 55 N -0.10 1.08 0.14 5.26 0.04 -1.15 0.24 116.94 122.46 1i4y h PHE 55 Ca 0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1i4y h PHE 55 Cb 0.14 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.94 1i4y h PHE 55 CO -0.14 0.60 -0.07 1.25 -0.60 0.00 0.00 178.31 179.34 1i4y h LEU 56 N 1.10 -0.16 -0.79 1.54 5.85 -0.92 -1.06 115.31 120.87 1i4y h LEU 56 Ca 0.37 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1i4y h LEU 56 Cb 0.07 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1i4y h LEU 56 CO -0.14 0.13 0.50 0.78 -0.34 0.00 0.00 178.44 179.37 1i4y h ASN 57 N -0.46 0.81 -0.58 1.25 -0.26 -0.38 0.15 115.58 116.12 1i4y h ASN 57 Ca -0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.63 1i4y h ASN 57 Cb 0.36 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1i4y h ASN 57 CO 0.03 0.55 0.01 -0.08 -1.06 0.00 0.00 177.43 176.88 1i4y h GLU 58 N 0.95 1.01 -0.75 0.81 4.81 -0.53 -1.45 114.58 119.44 1i4y h GLU 58 Ca 0.32 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1i4y h GLU 58 Cb 0.05 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1i4y h GLU 58 CO -0.13 1.00 0.35 1.96 -0.73 0.00 0.00 179.01 181.47 1i4y h GLN 59 N 0.90 1.07 -0.36 1.92 4.20 -0.28 -0.03 115.11 122.54 1i4y h GLN 59 Ca 0.16 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1i4y h GLN 59 Cb 0.54 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1i4y h GLN 59 CO 0.03 0.83 0.10 0.28 -0.67 0.00 0.00 178.83 179.40 1i4y h VAL 60 N 1.06 1.22 -0.80 -0.54 2.07 -0.64 0.07 116.25 118.69 1i4y h VAL 60 Ca 0.26 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1i4y h VAL 60 Cb 0.12 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1i4y h VAL 60 CO -0.03 0.25 0.32 0.25 0.02 0.00 0.00 177.57 178.37 1i4y h LEU 61 N 0.43 1.11 -0.49 2.57 5.85 -0.89 0.12 115.31 124.01 1i4y h LEU 61 Ca 0.11 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1i4y h LEU 61 Cb 0.28 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1i4y h LEU 61 CO -0.00 0.98 0.14 0.24 -0.34 0.00 0.00 178.44 179.46 1i4y h MET 62 N 1.17 0.77 -0.10 1.25 2.86 -0.66 -2.59 114.93 117.63 1i4y h MET 62 Ca 0.27 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1i4y h MET 62 Cb 0.22 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1i4y h MET 62 CO -0.02 0.74 -0.19 1.96 1.06 0.00 0.00 176.91 180.46 1i4y h GLN 63 N 0.67 0.17 -0.76 1.72 4.20 -0.55 0.75 115.11 121.30 1i4y h GLN 63 Ca 0.16 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.99 1i4y h GLN 63 Cb 0.30 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1i4y h GLN 63 CO -0.00 0.36 0.51 0.00 -0.67 0.00 0.00 178.83 179.03 1i4y h ALA 64 N 1.66 2.22 -0.20 3.87 0.00 -0.56 0.54 119.26 126.79 1i4y h ALA 64 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1i4y h ALA 64 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1i4y h ALA 64 CO 0.03 -0.44 0.00 0.43 0.00 0.00 0.00 179.25 179.27 1i4y n SER 65 N -4.46 3.15 -3.89 0.00 7.64 -1.08 -4.98 113.62 110.00 1i4y n SER 65 Ca 0.15 -2.69 -0.25 0.00 1.01 0.00 0.00 58.87 57.09 1i4y n SER 65 Cb 0.59 -0.39 -0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1i4y n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i4y n GLN 66 N -0.46 -3.89 -1.69 1.43 6.02 0.18 -4.79 117.38 114.18 1i4y n GLN 66 Ca 0.16 0.48 -0.64 0.00 -0.01 0.00 0.00 57.00 56.99 1i4y n GLN 66 Cb 0.66 -4.81 -0.09 0.00 1.02 0.00 0.00 30.24 27.03 1i4y n GLN 66 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1i4y n TYR 67 N -4.38 1.59 -0.19 1.08 -0.00 0.22 -4.85 117.16 110.63 1i4y n TYR 67 Ca -0.27 1.00 0.17 0.00 -0.00 0.00 0.00 57.90 58.80 1i4y n TYR 67 Cb 0.66 -2.25 0.51 0.00 -0.00 0.00 0.00 39.34 38.26 1i4y n TYR 67 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.86 177.23 1i4y h GLN 68 N 5.00 0.40 -0.69 2.98 4.15 -1.90 -2.48 115.11 122.57 1i4y h GLN 68 Ca -0.46 -0.02 -0.43 0.00 0.77 0.00 0.00 58.65 58.50 1i4y h GLN 68 Cb 1.37 -0.09 -0.25 0.00 0.21 0.00 0.00 27.48 28.72 1i4y h GLN 68 CO 0.91 0.27 0.12 1.19 -1.93 0.00 0.00 178.83 179.38 1i4y n PHE 69 N -4.49 2.27 -0.09 3.99 3.01 -1.26 -4.74 117.46 116.14 1i4y n PHE 69 Ca 0.16 -2.12 -0.10 0.00 1.01 0.00 0.00 57.45 56.40 1i4y n PHE 69 Cb 0.59 -0.77 -0.02 0.00 -0.01 0.00 0.00 39.48 39.27 1i4y n PHE 69 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1i4y h TYR 70 N 1.48 0.42 -0.21 1.38 5.03 -1.81 -2.70 116.97 120.55 1i4y h TYR 70 Ca 0.41 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.73 1i4y h TYR 70 Cb 1.63 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 39.76 1i4y h TYR 70 CO 1.19 0.36 0.07 -0.44 -1.32 0.00 0.00 178.16 178.02 1i4y h ASP 71 N 0.35 0.07 -0.66 -2.11 3.32 -1.86 0.15 116.42 115.68 1i4y h ASP 71 Ca 0.10 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1i4y h ASP 71 Cb 0.09 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1i4y h ASP 71 CO -0.02 0.07 0.32 1.05 -1.72 0.00 0.00 179.24 178.95 1i4y h GLU 72 N 0.16 0.97 -0.21 3.56 -0.00 -1.94 -2.19 114.58 114.93 1i4y h GLU 72 Ca 0.09 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.36 59.29 1i4y h GLU 72 Cb 0.06 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 28.63 1i4y h GLU 72 CO -0.10 0.75 0.00 1.25 -0.00 0.00 0.00 179.01 180.91 1i4y h HIS 73 N 0.97 0.40 -0.96 2.06 2.76 -1.06 -2.87 115.15 116.44 1i4y h HIS 73 Ca 0.24 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1i4y h HIS 73 Cb 0.10 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 1i4y h HIS 73 CO 0.01 0.55 0.63 -0.22 -1.30 0.00 0.00 177.93 177.61 1i4y h LYS 74 N 0.13 1.23 -0.82 5.26 3.64 -0.47 -2.10 116.57 123.45 1i4y h LYS 74 Ca 0.06 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1i4y h LYS 74 Cb 0.39 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1i4y h LYS 74 CO 0.01 0.81 0.49 0.87 -2.27 0.00 0.00 179.45 179.37 1i4y h LYS 75 N 1.27 1.10 -0.62 1.90 1.57 -1.32 -1.02 116.57 119.46 1i4y h LYS 75 Ca 0.36 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1i4y h LYS 75 Cb -0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 31.96 1i4y h LYS 75 CO -0.09 0.77 0.04 0.93 -0.57 0.00 0.00 179.45 180.53 1i4y h GLU 76 N 1.12 1.05 -0.43 3.15 4.39 -1.18 -2.19 114.58 120.51 1i4y h GLU 76 Ca 0.29 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1i4y h GLU 76 Cb -0.05 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1i4y h GLU 76 CO -0.06 1.00 0.18 0.45 -1.16 0.00 0.00 179.01 179.43 1i4y h HIS 77 N 0.97 0.64 -0.59 4.33 3.86 -0.82 -2.70 115.15 120.85 1i4y h HIS 77 Ca 0.18 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1i4y h HIS 77 Cb 0.51 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1i4y h HIS 77 CO 0.04 0.56 0.34 0.93 0.86 0.00 0.00 177.93 180.65 1i4y h GLU 78 N 0.55 0.80 -0.56 2.45 5.08 -1.04 -0.86 114.58 121.00 1i4y h GLU 78 Ca 0.14 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1i4y h GLU 78 Cb 0.18 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1i4y h GLU 78 CO -0.01 0.57 0.06 1.15 -1.00 0.00 0.00 179.01 179.78 1i4y h THR 79 N 0.81 1.26 -0.30 1.13 2.02 -1.18 0.40 112.91 117.05 1i4y h THR 79 Ca 0.21 -1.02 -0.17 0.00 0.77 0.00 0.00 66.41 66.20 1i4y h THR 79 Cb -0.01 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1i4y h THR 79 CO -0.04 0.37 -0.48 0.15 0.37 0.00 0.00 175.52 175.89 1i4y h PHE 80 N 0.84 1.06 -0.44 3.16 3.57 -1.11 -2.37 116.94 121.65 1i4y h PHE 80 Ca 0.17 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1i4y h PHE 80 Cb 0.45 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1i4y h PHE 80 CO 0.03 1.18 0.29 0.82 -2.23 0.00 0.00 178.31 178.40 1i4y h ILE 81 N 0.63 1.12 -0.80 1.41 1.08 -1.04 -1.65 117.51 118.26 1i4y h ILE 81 Ca 0.02 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.34 1i4y h ILE 81 Cb 1.09 0.48 -0.07 0.00 -3.07 0.00 0.00 36.82 35.26 1i4y h ILE 81 CO 0.11 0.12 0.46 -0.74 -0.69 0.00 0.00 178.15 177.41 1i4y h HIS 82 N 0.60 0.84 -0.29 1.37 2.76 -0.81 -0.64 115.15 118.98 1i4y h HIS 82 Ca 0.16 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1i4y h HIS 82 Cb -0.05 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 1i4y h HIS 82 CO -0.04 0.37 0.13 0.00 -1.30 0.00 0.00 177.93 177.09 1i4y h ALA 83 N 1.42 0.37 -0.45 5.26 0.00 -0.88 -1.37 119.26 123.61 1i4y h ALA 83 Ca 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1i4y h ALA 83 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1i4y h ALA 83 CO -0.22 -0.06 0.17 -0.07 0.00 0.00 0.00 179.25 179.07 1i4y h LEU 84 N 0.32 0.58 0.00 0.00 4.07 -0.61 -1.16 115.31 118.52 1i4y h LEU 84 Ca 0.10 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1i4y h LEU 84 Cb 0.14 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1i4y h LEU 84 CO -0.01 0.54 -0.05 0.47 -1.08 0.00 0.00 178.44 178.31 1i4y n ASP 85 N -4.36 0.48 -2.68 -0.43 10.43 -0.31 -3.59 116.55 116.09 1i4y n ASP 85 Ca 0.03 0.50 -0.17 0.00 2.57 0.00 0.00 54.79 57.72 1i4y n ASP 85 Cb 0.16 -0.60 0.01 0.00 1.84 0.00 0.00 41.12 42.53 1i4y n ASP 85 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1i4y n ASN 86 N -1.93 2.65 -4.72 -2.24 3.02 -0.54 -5.08 115.26 106.42 1i4y n ASN 86 Ca 0.06 -3.14 -0.42 0.00 -0.03 0.00 0.00 54.58 51.05 1i4y n ASN 86 Cb 0.39 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1i4y n ASN 86 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1i4y s TRP 87 N -3.21 2.91 0.00 3.10 -0.00 -0.49 -4.83 118.94 116.42 1i4y s TRP 87 Ca 0.37 0.44 0.00 0.00 -0.00 0.00 0.00 56.10 56.90 1i4y s TRP 87 Cb 0.42 -4.05 0.00 0.00 -0.00 0.00 0.00 33.47 29.84 1i4y s TRP 87 CO -0.06 -3.96 0.99 0.36 -0.00 0.00 0.00 176.95 174.28 1i4y n LYS 88 N 4.14 2.95 -0.75 5.86 -0.00 -1.26 -5.01 118.16 124.09 1i4y n LYS 88 Ca 0.15 -1.49 0.00 0.00 -0.00 0.00 0.00 58.31 56.97 1i4y n LYS 88 Cb 0.37 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.40 1i4y n LYS 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i4y n GLY 89 N -0.49 0.66 3.23 2.58 0.00 -1.26 -4.98 105.19 104.92 1i4y n GLY 89 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1i4y n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i4y n ASP 90 N 0.00 4.63 -0.03 1.61 4.64 -1.26 -4.73 116.55 121.41 1i4y n ASP 90 Ca 0.00 -2.91 0.01 0.00 -1.38 0.00 0.00 54.79 50.50 1i4y n ASP 90 Cb 0.00 -1.68 0.32 0.00 -1.04 0.00 0.00 41.12 38.72 1i4y n ASP 90 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1i4y h VAL 91 N 4.81 1.17 -0.69 5.18 3.04 -1.95 -2.36 116.25 125.46 1i4y h VAL 91 Ca 0.47 -0.58 -0.03 0.00 -1.01 0.00 0.00 66.70 65.54 1i4y h VAL 91 Cb 0.78 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 30.76 1i4y h VAL 91 CO 1.59 0.22 0.30 0.50 -1.01 0.00 0.00 177.57 179.17 1i4y h LYS 92 N 0.58 1.01 -0.49 4.17 3.64 -2.00 -0.40 116.57 123.08 1i4y h LYS 92 Ca 0.14 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1i4y h LYS 92 Cb 0.18 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1i4y h LYS 92 CO -0.01 0.82 0.02 2.35 -2.27 0.00 0.00 179.45 180.36 1i4y h TRP 93 N 0.97 0.92 -0.47 1.91 7.01 -1.84 -2.55 115.95 121.90 1i4y h TRP 93 Ca 0.23 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1i4y h TRP 93 Cb 0.17 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1i4y h TRP 93 CO 0.01 0.87 0.20 0.00 -2.79 0.00 0.00 178.44 176.73 1i4y h ALA 94 N 0.94 0.61 -0.52 2.65 0.00 -1.22 0.11 119.26 121.82 1i4y h ALA 94 Ca 0.14 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1i4y h ALA 94 Cb 0.49 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1i4y h ALA 94 CO 0.02 0.20 0.23 0.87 0.00 0.00 0.00 179.25 180.57 1i4y h LYS 95 N 0.62 0.42 -0.15 0.00 1.57 -0.98 -1.60 116.57 116.45 1i4y h LYS 95 Ca 0.16 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 1i4y h LYS 95 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1i4y h LYS 95 CO -0.02 0.28 -0.60 1.03 -0.57 0.00 0.00 179.45 179.57 1i4y h SER 96 N 0.43 0.58 -0.23 0.86 0.87 -1.26 -2.83 113.55 111.96 1i4y h SER 96 Ca 0.25 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1i4y h SER 96 Cb 0.22 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1i4y h SER 96 CO -0.22 1.04 0.09 -0.25 -0.53 0.00 0.00 176.83 176.97 1i4y h TRP 97 N 0.38 0.36 -0.14 2.24 7.01 -0.20 -1.66 115.95 123.94 1i4y h TRP 97 Ca -0.00 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1i4y h TRP 97 Cb 1.15 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.10 1i4y h TRP 97 CO 0.05 0.39 0.04 1.25 -2.79 0.00 0.00 178.44 177.38 1i4y h LEU 98 N 0.22 0.21 -0.35 0.65 5.85 -1.36 0.10 115.31 120.63 1i4y h LEU 98 Ca 0.08 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1i4y h LEU 98 Cb 0.19 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1i4y h LEU 98 CO -0.01 0.36 0.01 0.58 -0.34 0.00 0.00 178.44 179.04 1i4y h VAL 99 N 0.04 0.75 -0.04 1.05 2.07 -1.46 -1.93 116.25 116.73 1i4y h VAL 99 Ca 0.05 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 1i4y h VAL 99 Cb 0.23 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1i4y h VAL 99 CO -0.00 0.02 -0.59 0.78 0.02 0.00 0.00 177.57 177.79 1i4y h ASN 100 N 0.11 0.15 -0.31 0.57 2.35 -1.22 -2.39 115.58 114.84 1i4y h ASN 100 Ca 0.17 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1i4y h ASN 100 Cb 0.23 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1i4y h ASN 100 CO -0.28 0.71 0.01 -0.74 -1.65 0.00 0.00 177.43 175.48 1i4y h HIS 101 N 0.10 0.59 0.25 1.19 2.76 -0.36 -1.49 115.15 118.20 1i4y h HIS 101 Ca -0.01 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 1i4y h HIS 101 Cb 1.08 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1i4y h HIS 101 CO 0.01 0.66 -0.12 0.82 -1.30 0.00 0.00 177.93 178.00 1i4y h ILE 102 N 0.35 0.80 0.00 6.26 2.04 -1.35 0.25 117.51 125.85 1i4y h ILE 102 Ca 0.09 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1i4y h ILE 102 Cb 0.42 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1i4y h ILE 102 CO 0.01 0.12 0.00 0.11 0.00 0.00 0.00 178.15 178.40 1i4y h LYS 103 N -0.66 0.00 0.00 2.37 1.57 -1.47 -0.79 116.57 117.59 1i4y h LYS 103 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1i4y h LYS 103 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1i4y h LYS 103 CO 0.06 0.00 -1.15 0.25 -0.57 0.00 0.00 179.45 178.04 1i4y n THR 104 N -2.85 0.15 -0.14 -0.16 -2.24 -0.56 -4.61 114.28 103.87 1i4y n THR 104 Ca 0.01 -0.09 -0.28 0.00 -2.27 0.00 0.00 64.05 61.43 1i4y n THR 104 Cb 0.28 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 1i4y n THR 104 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i4y n ILE 105 N -2.19 1.52 -0.17 2.28 2.08 0.62 -4.24 119.36 119.26 1i4y n ILE 105 Ca -0.04 -0.42 -0.09 0.00 0.56 0.00 0.00 62.75 62.76 1i4y n ILE 105 Cb 0.57 -1.80 0.01 0.00 -0.75 0.00 0.00 39.64 37.66 1i4y n ILE 105 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1i4y h ASP 106 N -0.83 0.79 -0.02 4.38 3.32 -0.60 -2.52 116.42 120.93 1i4y h ASP 106 Ca -0.68 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.11 1i4y h ASP 106 Cb 1.66 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 1i4y h ASP 106 CO -0.37 0.85 0.09 -0.26 -1.72 0.00 0.00 179.24 177.83 1i4y h PHE 107 N 0.70 0.00 0.00 4.55 0.05 -1.39 -1.57 116.94 119.28 1i4y h PHE 107 Ca 0.15 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.90 1i4y h PHE 107 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.34 1i4y h PHE 107 CO 0.03 0.00 -0.19 0.87 -0.18 0.00 0.00 178.31 178.84 1i4y h LYS 108 N 0.00 0.00 -0.01 1.51 1.79 -1.62 -2.74 116.57 115.49 1i4y h LYS 108 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1i4y h LYS 108 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1i4y h LYS 108 CO -0.00 0.19 -0.03 2.48 -1.08 0.00 0.00 179.45 181.01 1i4y n TYR 109 N -3.65 0.00 -1.66 -1.35 0.18 -0.59 -4.90 117.16 105.20 1i4y n TYR 109 Ca -0.01 0.00 -0.50 0.00 1.88 0.00 0.00 57.90 59.27 1i4y n TYR 109 Cb 0.31 -0.02 -0.05 0.00 -0.38 0.00 0.00 39.34 39.20 1i4y n TYR 109 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1i4y n LYS 110 N -0.09 1.78 -0.96 -3.48 5.02 -1.04 -0.86 118.16 118.54 1i4y n LYS 110 Ca 0.19 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1i4y n LYS 110 Cb 0.32 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1i4y n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i4y n GLY 111 N 3.56 0.43 0.09 0.72 0.00 -1.26 -4.84 105.19 103.88 1i4y n GLY 111 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1i4y n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i4y n LYS 112 N -1.78 2.45 0.00 1.61 5.02 -0.04 -5.26 118.16 120.16 1i4y n LYS 112 Ca 0.00 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1i4y n LYS 112 Cb 0.12 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1i4y n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32