#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 3.36 0.51 1.61 0.08 -1.26 -5.04 117.98 117.24 1i4y s PHE 2 Ca 0.00 1.31 -0.22 0.00 0.12 0.00 0.00 56.93 58.14 1i4y s PHE 2 Cb 0.00 -2.61 -0.06 0.00 -0.57 0.00 0.00 43.02 39.78 1i4y s PHE 2 CO 0.00 0.04 1.30 -1.25 -0.10 0.00 0.00 175.22 175.21 1i4y s PRO 3 N -3.04 3.38 -0.32 0.24 0.04 -1.26 -4.97 135.00 129.07 1i4y s PRO 3 Ca 0.56 2.09 -0.19 0.00 0.04 0.00 0.00 61.00 63.50 1i4y s PRO 3 Cb -0.10 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1i4y s PRO 3 CO 0.16 -0.95 0.55 0.42 0.04 0.00 0.00 177.00 177.22 1i4y s ILE 4 N -1.38 5.00 0.35 0.56 -1.09 -1.26 -5.03 121.20 118.35 1i4y s ILE 4 Ca 0.68 0.58 -0.28 0.00 -2.23 0.00 0.00 60.65 59.40 1i4y s ILE 4 Cb -0.37 -3.95 -0.12 0.00 -1.58 0.00 0.00 42.46 36.45 1i4y s ILE 4 CO 0.44 -0.15 1.42 -0.81 -1.23 0.00 0.00 174.94 174.61 1i4y n PRO 5 N 5.76 2.44 -3.61 2.79 -0.04 -1.26 -4.99 135.00 136.09 1i4y n PRO 5 Ca -0.04 0.86 -0.25 0.00 -0.04 0.00 0.00 63.50 64.03 1i4y n PRO 5 Cb 0.49 -2.54 -0.17 0.00 -0.04 0.00 0.00 33.50 31.25 1i4y n PRO 5 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1i4y s ASP 6 N -0.10 2.19 0.70 3.54 -1.08 -1.26 -2.70 116.67 117.97 1i4y s ASP 6 Ca 0.56 -0.53 -0.16 0.00 -0.52 0.00 0.00 52.55 51.90 1i4y s ASP 6 Cb -0.52 -0.20 0.02 0.00 -1.46 0.00 0.00 42.92 40.76 1i4y s ASP 6 CO 0.61 -0.34 1.21 -2.16 0.52 0.00 0.00 175.17 175.01 1i4y s PRO 7 N 2.15 2.31 -1.00 4.34 0.04 -1.26 -5.05 135.00 136.53 1i4y s PRO 7 Ca 0.02 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 1i4y s PRO 7 Cb -0.16 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1i4y s PRO 7 CO -0.09 -1.71 1.73 -0.47 0.04 0.00 0.00 177.00 176.50 1i4y s TYR 8 N -1.89 2.18 0.02 0.56 6.14 -1.10 -4.90 117.35 118.37 1i4y s TYR 8 Ca 0.75 -0.15 0.00 0.00 0.64 0.00 0.00 57.07 58.32 1i4y s TYR 8 Cb -0.30 -4.36 -0.02 0.00 0.42 0.00 0.00 41.96 37.70 1i4y s TYR 8 CO 0.43 -1.79 -0.03 0.08 0.64 0.00 0.00 175.55 174.88 1i4y s VAL 9 N 7.66 0.13 0.61 3.14 1.01 -1.26 -4.48 120.40 127.21 1i4y s VAL 9 Ca 0.59 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1i4y s VAL 9 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 1i4y s VAL 9 CO -0.03 -0.46 1.32 0.86 0.00 0.00 0.00 175.10 176.79 1i4y s TRP 10 N -1.36 2.14 0.07 5.22 -0.00 -1.26 -4.92 118.94 118.83 1i4y s TRP 10 Ca -0.15 1.45 -0.06 0.00 -0.00 0.00 0.00 56.10 57.34 1i4y s TRP 10 Cb -0.09 -3.73 -0.01 0.00 -0.00 0.00 0.00 33.47 29.63 1i4y s TRP 10 CO -0.01 -2.92 0.12 0.16 -0.00 0.00 0.00 176.95 174.30 1i4y s ASP 11 N -1.25 0.21 0.61 5.86 1.47 -1.26 -5.05 116.67 117.26 1i4y s ASP 11 Ca 0.79 -0.69 0.26 0.00 1.18 0.00 0.00 52.55 54.09 1i4y s ASP 11 Cb -0.38 0.28 1.21 0.00 -0.34 0.00 0.00 42.92 43.69 1i4y s ASP 11 CO 0.42 -0.64 1.64 -0.65 0.68 0.00 0.00 175.17 176.61 1i4y h PRO 12 N 3.06 0.00 0.00 2.11 0.11 -2.01 -1.44 132.00 133.83 1i4y h PRO 12 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1i4y h PRO 12 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1i4y h PRO 12 CO 0.57 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 1i4y n SER 13 N -3.36 0.50 -0.76 -2.05 3.41 -1.26 -1.56 113.62 108.54 1i4y n SER 13 Ca 0.11 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 1i4y n SER 13 Cb 0.95 -0.74 0.31 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.07 0.14 -1.69 7.33 3.01 -0.54 -4.97 117.46 118.66 1i4y n PHE 14 Ca 0.02 -0.07 -0.42 0.00 1.01 0.00 0.00 57.45 57.99 1i4y n PHE 14 Cb 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 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 0.79 2.85 0.01 -1.08 0.63 -0.60 -4.89 116.66 114.37 1i4y n ARG 15 Ca 0.17 1.04 0.11 0.00 -0.92 0.00 0.00 57.85 58.24 1i4y n ARG 15 Cb 0.47 -2.94 -0.06 0.00 0.45 0.00 0.00 32.46 30.37 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 4.81 0.09 -0.94 5.15 -2.24 -1.26 -4.97 114.28 114.91 1i4y n THR 16 Ca 0.18 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1i4y n THR 16 Cb 0.38 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.92 0.00 -3.90 4.78 3.72 -1.26 -4.79 117.46 114.08 1i4y n PHE 17 Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1i4y n PHE 17 Cb 0.44 -0.31 -0.13 0.00 -0.94 0.00 0.00 39.48 38.54 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 3.60 0.27 1.38 2.02 -1.26 -5.00 117.35 116.37 1i4y s TYR 18 Ca 0.00 -2.80 -0.06 0.00 -0.37 0.00 0.00 57.07 53.84 1i4y s TYR 18 Cb 0.00 -3.04 0.49 0.00 -0.40 0.00 0.00 41.96 39.01 1i4y s TYR 18 CO 0.00 -0.92 1.58 0.66 -1.57 0.00 0.00 175.55 175.30 1i4y h SER 19 N 7.58 -0.73 -0.64 2.29 4.64 -1.99 0.12 113.55 124.82 1i4y h SER 19 Ca -0.07 0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 1i4y h SER 19 Cb 1.01 0.53 -0.02 0.00 -0.31 0.00 0.00 62.40 63.61 1i4y h SER 19 CO 0.62 -0.31 0.06 -0.29 -0.87 0.00 0.00 176.83 176.04 1i4y h ILE 20 N 0.01 1.26 -0.48 0.95 6.09 -1.99 -1.27 117.51 122.08 1i4y h ILE 20 Ca 0.48 -1.09 -0.09 0.00 -1.37 0.00 0.00 64.86 62.79 1i4y h ILE 20 Cb 0.81 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 1i4y h ILE 20 CO -0.92 0.40 -0.05 0.40 -3.07 0.00 0.00 178.15 174.92 1i4y h ILE 21 N 1.00 1.27 -0.65 2.19 2.04 -1.56 -2.01 117.51 119.79 1i4y h ILE 21 Ca 0.19 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1i4y h ILE 21 Cb 0.50 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1i4y h ILE 21 CO 0.02 0.40 0.28 0.44 0.00 0.00 0.00 178.15 179.29 1i4y h ASP 22 N 0.73 0.86 0.23 1.72 3.32 -0.57 -0.14 116.42 122.56 1i4y h ASP 22 Ca 0.13 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1i4y h ASP 22 Cb 0.58 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1i4y h ASP 22 CO 0.03 0.75 -0.41 0.44 -1.72 0.00 0.00 179.24 178.34 1i4y h ASP 23 N 0.93 0.25 0.29 6.45 3.45 -1.03 -1.88 116.42 124.88 1i4y h ASP 23 Ca 0.22 -0.11 -0.20 0.00 0.43 0.00 0.00 57.03 57.38 1i4y h ASP 23 Cb 0.15 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1i4y h ASP 23 CO -0.02 0.64 -0.82 -0.33 -1.57 0.00 0.00 179.24 177.14 1i4y h GLU 24 N 0.20 0.41 -0.77 3.56 5.08 -0.75 -3.11 114.58 119.20 1i4y h GLU 24 Ca 0.02 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1i4y h GLU 24 Cb 0.81 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1i4y h GLU 24 CO 0.06 1.03 0.32 0.45 -1.00 0.00 0.00 179.01 179.87 1i4y h HIS 25 N 0.26 1.16 -0.70 4.33 3.86 -0.65 -2.01 115.15 121.39 1i4y h HIS 25 Ca -0.05 -0.08 0.12 0.00 -1.16 0.00 0.00 60.37 59.20 1i4y h HIS 25 Cb 1.42 -0.35 -0.05 0.00 1.06 0.00 0.00 27.41 29.50 1i4y h HIS 25 CO 0.05 0.87 0.47 0.87 0.86 0.00 0.00 177.93 181.05 1i4y h LYS 26 N 1.12 0.45 -0.02 2.45 1.57 -1.28 -0.43 116.57 120.43 1i4y h LYS 26 Ca 0.26 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 1i4y h LYS 26 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1i4y h LYS 26 CO -0.02 0.30 -0.70 1.79 -0.57 0.00 0.00 179.45 180.24 1i4y h THR 27 N 0.46 1.47 -0.22 -0.16 1.35 -1.38 -2.66 112.91 111.77 1i4y h THR 27 Ca 0.33 -2.32 -0.15 0.00 -0.55 0.00 0.00 66.41 63.72 1i4y h THR 27 Cb 0.67 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 1i4y h THR 27 CO -0.11 0.67 -0.49 -0.07 -0.25 0.00 0.00 175.52 175.28 1i4y h LEU 28 N 0.06 0.64 -0.14 3.87 3.38 -0.90 -0.83 115.31 121.39 1i4y h LEU 28 Ca -0.01 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1i4y h LEU 28 Cb 1.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1i4y h LEU 28 CO 0.10 1.02 0.03 -0.26 0.09 0.00 0.00 178.44 179.42 1i4y h PHE 29 N 0.47 0.24 -0.79 1.13 -1.00 -1.43 -2.21 116.94 113.34 1i4y h PHE 29 Ca 0.02 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1i4y h PHE 29 Cb 1.02 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.47 1i4y h PHE 29 CO 0.04 0.38 0.52 -0.97 -1.61 0.00 0.00 178.31 176.68 1i4y h ASN 30 N 0.03 0.89 -0.62 2.17 -1.24 -1.39 -0.54 115.58 114.88 1i4y h ASN 30 Ca 0.04 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 1i4y h ASN 30 Cb 0.26 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 1i4y h ASN 30 CO 0.00 0.64 0.05 1.23 -1.29 0.00 0.00 177.43 178.06 1i4y h GLY 31 N 1.05 1.15 1.60 1.57 0.00 -0.93 -2.77 103.07 104.74 1i4y h GLY 31 Ca 0.30 -0.81 -0.20 0.00 0.00 0.00 0.00 47.33 46.62 1i4y h GLY 31 CO -0.07 0.75 -0.83 -2.22 0.00 0.00 0.00 176.54 174.17 1i4y h ILE 32 N 0.98 1.40 -0.05 2.60 2.04 -1.02 -2.80 117.51 120.66 1i4y h ILE 32 Ca 0.18 -2.32 0.04 0.00 1.00 0.00 0.00 64.86 63.76 1i4y h ILE 32 Cb 0.50 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 1i4y h ILE 32 CO 0.02 0.69 -0.28 0.15 0.00 0.00 0.00 178.15 178.73 1i4y h PHE 33 N 0.23 -0.77 -0.22 1.37 3.57 -0.96 -0.76 116.94 119.40 1i4y h PHE 33 Ca -0.05 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1i4y h PHE 33 Cb 1.43 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.51 1i4y h PHE 33 CO 0.05 -0.37 -0.31 0.45 -2.23 0.00 0.00 178.31 175.90 1i4y h HIS 34 N -0.40 0.51 -0.08 0.41 3.86 -1.56 -2.80 115.15 115.10 1i4y h HIS 34 Ca 0.08 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1i4y h HIS 34 Cb 0.51 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1i4y h HIS 34 CO -0.34 0.71 -0.10 1.25 0.86 0.00 0.00 177.93 180.31 1i4y h LEU 35 N 0.39 0.10 -0.66 2.43 7.12 -1.12 0.29 115.31 123.87 1i4y h LEU 35 Ca 0.05 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.94 1i4y h LEU 35 Cb 0.74 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.82 1i4y h LEU 35 CO 0.06 0.22 -0.52 0.00 -0.13 0.00 0.00 178.44 178.07 1i4y h ALA 36 N 1.79 0.87 0.05 1.25 0.00 -0.89 -2.51 119.26 119.82 1i4y h ALA 36 Ca 0.02 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1i4y h ALA 36 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i4y h ALA 36 CO 0.01 0.65 -0.80 0.82 0.00 0.00 0.00 179.25 179.93 1i4y h ILE 37 N 0.00 1.33 -2.87 0.00 2.04 -1.24 -3.44 117.51 113.33 1i4y h ILE 37 Ca -0.01 -2.34 -0.55 0.00 1.00 0.00 0.00 64.86 62.97 1i4y h ILE 37 Cb 1.11 2.88 -0.40 0.00 -0.74 0.00 0.00 36.82 39.68 1i4y h ILE 37 CO 0.07 0.57 -0.78 -0.62 0.00 0.00 0.00 178.15 177.39 1i4y s ASP 38 N -6.69 3.63 -1.32 1.72 -1.08 0.01 -5.05 116.67 107.89 1i4y s ASP 38 Ca -0.21 -1.47 -0.16 0.00 -0.52 0.00 0.00 52.55 50.20 1i4y s ASP 38 Cb 0.02 -0.50 0.09 0.00 -1.46 0.00 0.00 42.92 41.06 1i4y s ASP 38 CO 0.70 -0.42 1.82 -0.67 0.52 0.00 0.00 175.17 177.12 1i4y n ASP 39 N 5.03 4.74 -4.67 -0.34 4.64 -0.95 -4.32 116.55 120.69 1i4y n ASP 39 Ca -0.03 -2.92 -0.33 0.00 -1.38 0.00 0.00 54.79 50.13 1i4y n ASP 39 Cb 0.42 -1.68 -0.07 0.00 -1.04 0.00 0.00 41.12 38.75 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 7.11 3.36 -0.17 1.67 2.04 -1.26 -5.04 115.26 122.96 1i4y n ASN 40 Ca 0.47 -3.23 -0.04 0.00 -0.44 0.00 0.00 54.58 51.33 1i4y n ASN 40 Cb 0.43 0.38 0.14 0.00 -2.53 0.00 0.00 39.78 38.20 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 1.27 1.12 -0.19 -2.53 0.00 -1.99 -2.22 119.26 114.72 1i4y h ALA 41 Ca -0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1i4y h ALA 41 Cb 1.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1i4y h ALA 41 CO 0.70 0.59 0.03 -0.44 0.00 0.00 0.00 179.25 180.13 1i4y h ASP 42 N 0.89 0.30 0.31 0.00 3.32 -1.97 -1.23 116.42 118.05 1i4y h ASP 42 Ca 0.19 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1i4y h ASP 42 Cb 0.33 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1i4y h ASP 42 CO 0.00 0.48 -0.49 0.78 -1.72 0.00 0.00 179.24 178.29 1i4y h ASN 43 N 0.12 0.24 -0.42 6.45 2.35 -1.84 -1.44 115.58 121.03 1i4y h ASN 43 Ca 0.06 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 1i4y h ASN 43 Cb 0.30 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1i4y h ASN 43 CO 0.00 0.69 -0.20 0.25 -1.65 0.00 0.00 177.43 176.52 1i4y h LEU 44 N 0.17 0.94 -0.81 1.61 5.85 -1.35 -2.34 115.31 119.38 1i4y h LEU 44 Ca 0.01 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1i4y h LEU 44 Cb 0.94 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1i4y h LEU 44 CO 0.08 1.11 0.11 1.23 -0.34 0.00 0.00 178.44 180.63 1i4y h GLY 45 N 0.92 1.08 0.82 3.75 0.00 -0.86 0.39 103.07 109.16 1i4y h GLY 45 Ca 0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1i4y h GLY 45 CO 0.06 0.64 0.03 -2.09 0.00 0.00 0.00 176.54 175.18 1i4y h GLU 46 N 0.95 0.21 -0.35 4.80 4.57 -1.15 -0.75 114.58 122.86 1i4y h GLU 46 Ca 0.19 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1i4y h GLU 46 Cb 0.40 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1i4y h GLU 46 CO 0.01 0.38 0.20 1.25 -1.18 0.00 0.00 179.01 179.67 1i4y h LEU 47 N 0.00 0.43 -0.46 1.64 5.85 -1.22 -1.84 115.31 119.71 1i4y h LEU 47 Ca 0.04 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1i4y h LEU 47 Cb 0.27 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1i4y h LEU 47 CO 0.00 0.37 0.20 -0.09 -0.34 0.00 0.00 178.44 178.58 1i4y h ARG 48 N 0.45 0.39 0.36 1.25 9.65 -0.08 0.24 114.38 126.64 1i4y h ARG 48 Ca 0.12 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1i4y h ARG 48 Cb 0.03 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1i4y h ARG 48 CO -0.02 0.26 -0.17 -0.09 2.80 0.00 0.00 179.97 182.74 1i4y h ARG 49 N 0.40 -0.47 -0.71 0.20 2.43 -0.99 0.64 114.38 115.89 1i4y h ARG 49 Ca 0.21 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1i4y h ARG 49 Cb 0.16 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1i4y h ARG 49 CO -0.17 -0.22 0.47 0.00 -1.51 0.00 0.00 179.97 178.53 1i4y h THR 51 N 0.78 1.38 -0.70 0.00 2.02 -0.37 -0.14 112.91 115.87 1i4y h THR 51 Ca 0.30 -1.52 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 1i4y h THR 51 Cb 0.19 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1i4y h THR 51 CO -0.09 0.44 0.30 1.23 0.37 0.00 0.00 175.52 177.77 1i4y h GLY 52 N -0.04 1.11 0.77 2.16 0.00 -0.58 -0.35 103.07 106.14 1i4y h GLY 52 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 1i4y h GLY 52 CO 0.05 0.56 -0.11 1.70 0.00 0.00 0.00 176.54 178.74 1i4y h LYS 53 N 0.99 0.37 -0.16 4.80 3.11 -1.09 -2.20 116.57 122.40 1i4y h LYS 53 Ca 0.24 -0.18 -0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1i4y h LYS 53 Cb 0.18 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 1i4y h LYS 53 CO -0.02 0.71 0.09 1.25 -2.81 0.00 0.00 179.45 178.67 1i4y h HIS 54 N 0.04 0.22 -0.66 1.91 2.76 -0.87 -0.47 115.15 118.08 1i4y h HIS 54 Ca 0.03 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1i4y h HIS 54 Cb 0.62 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 1i4y h HIS 54 CO 0.07 0.22 0.42 0.74 -1.30 0.00 0.00 177.93 178.08 1i4y h PHE 55 N 0.16 0.79 0.08 5.26 0.04 -1.09 0.10 116.94 122.28 1i4y h PHE 55 Ca 0.06 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1i4y h PHE 55 Cb 0.07 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1i4y h PHE 55 CO -0.04 0.48 -0.04 1.25 -0.60 0.00 0.00 178.31 179.36 1i4y h LEU 56 N 0.84 -0.09 -0.60 1.54 5.85 -1.17 -0.80 115.31 120.89 1i4y h LEU 56 Ca 0.25 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1i4y h LEU 56 Cb -0.04 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1i4y h LEU 56 CO -0.08 0.06 0.37 0.78 -0.34 0.00 0.00 178.44 179.23 1i4y h ASN 57 N -0.24 0.62 -0.36 1.25 -0.26 -0.83 -0.25 115.58 115.51 1i4y h ASN 57 Ca -0.01 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 1i4y h ASN 57 Cb 0.20 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 1i4y h ASN 57 CO 0.02 0.44 0.08 -0.08 -1.06 0.00 0.00 177.43 176.82 1i4y h GLU 58 N 0.74 0.67 -0.54 0.81 4.81 -0.71 -1.10 114.58 119.27 1i4y h GLU 58 Ca 0.23 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1i4y h GLU 58 Cb -0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1i4y h GLU 58 CO -0.09 0.63 -0.12 1.96 -0.73 0.00 0.00 179.01 180.67 1i4y h GLN 59 N 0.65 1.04 -0.50 1.92 4.20 -0.32 -1.05 115.11 121.06 1i4y h GLN 59 Ca 0.14 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 1i4y h GLN 59 Cb 0.29 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1i4y h GLN 59 CO 0.00 1.09 0.22 0.28 -0.67 0.00 0.00 178.83 179.75 1i4y h VAL 60 N 0.92 1.20 -0.43 -0.54 2.07 -0.50 0.17 116.25 119.14 1i4y h VAL 60 Ca 0.14 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1i4y h VAL 60 Cb 0.69 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1i4y h VAL 60 CO 0.05 0.23 0.03 0.25 0.02 0.00 0.00 177.57 178.15 1i4y h LEU 61 N 0.66 0.64 -0.27 2.57 5.85 -0.97 -0.89 115.31 122.90 1i4y h LEU 61 Ca 0.17 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1i4y h LEU 61 Cb 0.16 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1i4y h LEU 61 CO -0.02 0.70 -0.14 0.24 -0.34 0.00 0.00 178.44 178.88 1i4y h MET 62 N 0.65 0.57 0.00 1.25 2.86 -0.74 -2.88 114.93 116.64 1i4y h MET 62 Ca 0.14 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1i4y h MET 62 Cb 0.37 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1i4y h MET 62 CO 0.01 0.82 -0.12 1.96 1.06 0.00 0.00 176.91 180.64 1i4y h GLN 63 N 0.30 0.00 0.00 1.72 4.20 -0.69 0.86 115.11 121.50 1i4y h GLN 63 Ca 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1i4y h GLN 63 Cb 0.66 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1i4y h GLN 63 CO 0.04 0.12 -0.10 0.00 -0.67 0.00 0.00 178.83 178.22 1i4y h ALA 64 N 1.88 1.53 -0.08 3.87 0.00 -0.93 -2.07 119.26 123.46 1i4y h ALA 64 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1i4y h ALA 64 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i4y h ALA 64 CO 0.02 0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.83 1i4y n SER 65 N -3.98 2.43 -3.81 0.00 7.64 -1.06 -5.00 113.62 109.84 1i4y n SER 65 Ca -0.02 -2.40 -0.25 0.00 1.01 0.00 0.00 58.87 57.20 1i4y n SER 65 Cb 0.19 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.61 -3.24 -1.66 1.43 6.02 -0.78 -4.78 117.38 113.76 1i4y n GLN 66 Ca 0.08 0.48 -0.57 0.00 -0.01 0.00 0.00 57.00 56.99 1i4y n GLN 66 Cb 0.45 -4.63 -0.07 0.00 1.02 0.00 0.00 30.24 27.00 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 -4.30 1.75 -0.27 1.08 -0.00 0.24 -4.85 117.16 110.81 1i4y n TYR 67 Ca -0.25 0.66 0.06 0.00 -0.00 0.00 0.00 57.90 58.37 1i4y n TYR 67 Cb 0.66 -2.37 0.20 0.00 -0.00 0.00 0.00 39.34 37.83 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 5.84 0.48 -0.93 2.98 4.15 -1.90 -2.51 115.11 123.23 1i4y h GLN 68 Ca -0.47 -0.03 -0.61 0.00 0.77 0.00 0.00 58.65 58.31 1i4y h GLN 68 Cb 1.34 -0.11 -0.31 0.00 0.21 0.00 0.00 27.48 28.61 1i4y h GLN 68 CO 0.88 0.32 0.54 1.19 -1.93 0.00 0.00 178.83 179.83 1i4y n PHE 69 N -4.96 3.04 -0.02 3.99 3.01 -1.26 -4.67 117.46 116.59 1i4y n PHE 69 Ca 0.15 -2.69 -0.12 0.00 1.01 0.00 0.00 57.45 55.80 1i4y n PHE 69 Cb 0.42 -1.17 -0.07 0.00 -0.01 0.00 0.00 39.48 38.65 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 1.85 0.16 0.16 1.38 5.03 -1.82 -2.77 116.97 120.96 1i4y h TYR 70 Ca 0.56 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.86 1i4y h TYR 70 Cb 1.22 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.41 1i4y h TYR 70 CO 1.35 0.33 -0.45 -0.44 -1.32 0.00 0.00 178.16 177.62 1i4y h ASP 71 N -0.06 -1.32 -0.71 -2.11 3.32 -1.85 0.16 116.42 113.84 1i4y h ASP 71 Ca 0.03 0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1i4y h ASP 71 Cb 0.25 0.49 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 1i4y h ASP 71 CO 0.00 -0.52 0.47 -0.08 -1.72 0.00 0.00 179.24 177.39 1i4y h GLU 72 N -0.71 0.90 -0.25 3.56 4.57 -1.94 -1.18 114.58 119.54 1i4y h GLU 72 Ca 0.01 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1i4y h GLU 72 Cb 0.72 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1i4y h GLU 72 CO -0.24 0.60 0.11 1.25 -1.18 0.00 0.00 179.01 179.55 1i4y h HIS 73 N 0.93 0.38 -0.54 0.92 2.76 -1.13 -2.19 115.15 116.28 1i4y h HIS 73 Ca 0.27 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1i4y h HIS 73 Cb -0.05 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 1i4y h HIS 73 CO -0.00 0.39 0.36 -0.22 -1.30 0.00 0.00 177.93 177.16 1i4y h LYS 74 N 0.26 0.70 -0.47 5.26 3.64 0.03 -1.78 116.57 124.21 1i4y h LYS 74 Ca 0.09 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1i4y h LYS 74 Cb 0.17 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1i4y h LYS 74 CO -0.01 0.46 0.02 0.87 -2.27 0.00 0.00 179.45 178.52 1i4y h LYS 75 N 0.72 0.75 -0.21 1.90 1.79 -0.65 -1.01 116.57 119.86 1i4y h LYS 75 Ca 0.20 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1i4y h LYS 75 Cb -0.06 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1i4y h LYS 75 CO -0.05 0.75 0.05 0.93 -1.08 0.00 0.00 179.45 180.05 1i4y h GLU 76 N 0.71 0.34 -0.44 3.15 4.39 -0.81 -2.42 114.58 119.50 1i4y h GLU 76 Ca 0.14 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.83 1i4y h GLU 76 Cb 0.41 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 1i4y h GLU 76 CO 0.01 0.47 0.11 0.45 -1.16 0.00 0.00 179.01 178.89 1i4y h HIS 77 N 0.15 0.18 -0.96 4.33 3.86 -1.06 -1.73 115.15 119.93 1i4y h HIS 77 Ca 0.06 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.37 1i4y h HIS 77 Cb 0.29 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.68 1i4y h HIS 77 CO 0.01 0.03 0.62 0.93 0.86 0.00 0.00 177.93 180.38 1i4y h GLU 78 N 0.25 1.04 -0.40 2.45 5.08 -1.03 -1.87 114.58 120.09 1i4y h GLU 78 Ca 0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1i4y h GLU 78 Cb 0.25 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1i4y h GLU 78 CO -0.26 0.69 0.22 1.15 -1.00 0.00 0.00 179.01 179.81 1i4y h THR 79 N 1.07 1.15 -0.35 1.13 2.02 -0.82 -0.46 112.91 116.65 1i4y h THR 79 Ca 0.42 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1i4y h THR 79 Cb 0.24 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1i4y h THR 79 CO -0.17 0.15 -0.02 0.15 0.37 0.00 0.00 175.52 176.00 1i4y h PHE 80 N 0.52 0.69 -0.28 3.16 3.57 -1.14 -1.81 116.94 121.65 1i4y h PHE 80 Ca 0.14 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1i4y h PHE 80 Cb 0.05 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1i4y h PHE 80 CO -0.03 0.75 0.08 0.82 -2.23 0.00 0.00 178.31 177.70 1i4y h ILE 81 N 0.43 0.90 -0.73 1.41 1.08 -1.23 -0.20 117.51 119.16 1i4y h ILE 81 Ca 0.10 -0.07 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 1i4y h ILE 81 Cb 0.49 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 1i4y h ILE 81 CO 0.02 0.04 0.48 -0.74 -0.69 0.00 0.00 178.15 177.26 1i4y h HIS 82 N 0.19 0.85 -0.44 1.37 2.76 -0.98 0.18 115.15 119.08 1i4y h HIS 82 Ca 0.13 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.17 1i4y h HIS 82 Cb 0.11 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1i4y h HIS 82 CO -0.15 0.49 -0.28 0.00 -1.30 0.00 0.00 177.93 176.70 1i4y h ALA 83 N 1.58 0.63 -0.10 5.26 0.00 -0.47 -1.82 119.26 124.32 1i4y h ALA 83 Ca 0.29 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1i4y h ALA 83 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1i4y h ALA 83 CO -0.09 0.66 -0.51 -0.07 0.00 0.00 0.00 179.25 179.24 1i4y h LEU 84 N 0.81 0.31 -0.03 0.00 3.38 -0.24 -1.92 115.31 117.62 1i4y h LEU 84 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i4y h LEU 84 Cb 0.86 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1i4y h LEU 84 CO 0.08 0.77 -0.03 0.47 0.09 0.00 0.00 178.44 179.82 1i4y n ASP 85 N -3.95 0.08 -2.90 -0.43 10.43 0.54 -3.30 116.55 117.03 1i4y n ASP 85 Ca -0.02 -0.11 -0.13 0.00 2.57 0.00 0.00 54.79 57.10 1i4y n ASP 85 Cb 0.56 -0.27 0.00 0.00 1.84 0.00 0.00 41.12 43.25 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 -1.28 1.16 -4.71 -2.24 3.02 -0.70 -5.05 115.26 105.46 1i4y n ASN 86 Ca 0.13 -2.85 -0.42 0.00 -0.03 0.00 0.00 54.58 51.41 1i4y n ASN 86 Cb 0.26 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 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 -2.80 2.97 -0.05 3.10 -0.11 -0.74 -4.80 118.94 116.51 1i4y s TRP 87 Ca 0.33 0.71 0.08 0.00 1.22 0.00 0.00 56.10 58.44 1i4y s TRP 87 Cb 0.41 -3.81 0.12 0.00 -1.50 0.00 0.00 33.47 28.69 1i4y s TRP 87 CO -0.01 -3.00 1.06 0.36 -4.62 0.00 0.00 176.95 170.73 1i4y n LYS 88 N 4.47 2.26 -1.05 5.86 -0.00 -1.26 -5.01 118.16 123.43 1i4y n LYS 88 Ca 0.13 -1.93 -0.02 0.00 -0.00 0.00 0.00 58.31 56.49 1i4y n LYS 88 Cb 0.41 -1.20 -0.01 0.00 -0.00 0.00 0.00 35.03 34.23 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 -0.88 0.53 3.43 2.58 0.00 -1.26 -4.98 105.19 104.61 1i4y n GLY 89 Ca 0.07 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 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 1.20 5.15 -0.13 1.61 4.64 -1.26 -4.78 116.55 122.99 1i4y n ASP 90 Ca -0.02 -2.98 -0.05 0.00 -1.38 0.00 0.00 54.79 50.37 1i4y n ASP 90 Cb 0.07 -1.59 0.14 0.00 -1.04 0.00 0.00 41.12 38.70 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 4.72 1.24 -0.79 5.18 3.04 -1.95 -2.54 116.25 125.15 1i4y h VAL 91 Ca 0.35 -0.99 0.01 0.00 -1.01 0.00 0.00 66.70 65.06 1i4y h VAL 91 Cb 0.85 0.81 -0.04 0.00 -2.01 0.00 0.00 31.29 30.90 1i4y h VAL 91 CO 1.31 0.35 0.52 0.11 -1.01 0.00 0.00 177.57 178.85 1i4y h LYS 92 N 0.80 1.04 -0.21 4.17 1.57 -1.99 0.12 116.57 122.07 1i4y h LYS 92 Ca 0.16 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1i4y h LYS 92 Cb 0.43 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1i4y h LYS 92 CO 0.02 0.70 0.02 2.35 -0.57 0.00 0.00 179.45 181.96 1i4y h TRP 93 N 1.07 0.38 -0.70 -1.35 7.01 -1.88 -1.85 115.95 118.63 1i4y h TRP 93 Ca 0.29 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1i4y h TRP 93 Cb -0.11 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 1i4y h TRP 93 CO 0.00 0.52 0.39 0.00 -2.79 0.00 0.00 178.44 176.57 1i4y h ALA 94 N 0.81 0.90 -0.60 2.65 0.00 -1.01 0.37 119.26 122.39 1i4y h ALA 94 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i4y h ALA 94 Cb 0.36 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1i4y h ALA 94 CO 0.01 0.41 0.38 0.87 0.00 0.00 0.00 179.25 180.92 1i4y h LYS 95 N 0.97 0.75 -0.03 0.00 1.57 -0.66 -1.31 116.57 117.85 1i4y h LYS 95 Ca 0.25 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.78 1i4y h LYS 95 Cb 0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1i4y h LYS 95 CO -0.04 0.49 -0.85 0.66 -0.57 0.00 0.00 179.45 179.14 1i4y h SER 96 N 0.77 0.46 -0.18 0.86 4.64 -0.93 -2.91 113.55 116.26 1i4y h SER 96 Ca 0.23 -0.34 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1i4y h SER 96 Cb -0.04 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1i4y h SER 96 CO -0.07 1.12 0.10 -0.25 -0.87 0.00 0.00 176.83 176.86 1i4y h TRP 97 N 0.22 0.19 -0.21 4.77 7.01 0.09 -1.45 115.95 126.56 1i4y h TRP 97 Ca -0.05 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 1i4y h TRP 97 Cb 1.46 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.45 1i4y h TRP 97 CO 0.05 0.11 0.09 1.25 -2.79 0.00 0.00 178.44 177.15 1i4y h LEU 98 N 0.21 0.29 -0.36 0.65 5.85 -1.31 0.13 115.31 120.77 1i4y h LEU 98 Ca 0.07 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1i4y h LEU 98 Cb -0.00 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1i4y h LEU 98 CO -0.03 0.36 0.10 0.58 -0.34 0.00 0.00 178.44 179.11 1i4y h VAL 99 N 0.20 0.86 -0.21 1.05 2.07 -1.40 -1.80 116.25 117.02 1i4y h VAL 99 Ca 0.07 -0.08 -0.19 0.00 0.82 0.00 0.00 66.70 67.32 1i4y h VAL 99 Cb 0.16 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1i4y h VAL 99 CO -0.01 0.04 -0.64 0.78 0.02 0.00 0.00 177.57 177.77 1i4y h ASN 100 N 0.24 0.86 -0.48 0.57 4.21 -1.19 -2.54 115.58 117.25 1i4y h ASN 100 Ca 0.17 -0.50 0.02 0.00 1.21 0.00 0.00 56.30 57.19 1i4y h ASN 100 Cb 0.17 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.09 1i4y h ASN 100 CO -0.19 1.28 0.29 -0.74 -1.29 0.00 0.00 177.43 176.79 1i4y h HIS 101 N 0.55 0.55 0.27 1.19 2.76 -0.48 0.09 115.15 120.09 1i4y h HIS 101 Ca -0.01 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1i4y h HIS 101 Cb 1.24 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 30.02 1i4y h HIS 101 CO 0.07 0.32 -0.13 0.82 -1.30 0.00 0.00 177.93 177.71 1i4y h ILE 102 N 0.59 0.77 0.00 6.26 2.04 -1.36 0.14 117.51 125.95 1i4y h ILE 102 Ca 0.19 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1i4y h ILE 102 Cb -0.01 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1i4y h ILE 102 CO -0.08 0.11 -0.15 0.11 0.00 0.00 0.00 178.15 178.14 1i4y h LYS 103 N -0.66 0.00 0.00 2.37 1.57 -1.37 -0.42 116.57 118.06 1i4y h LYS 103 Ca -0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 1i4y h LYS 103 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1i4y h LYS 103 CO 0.06 0.15 -1.73 0.25 -0.57 0.00 0.00 179.45 177.62 1i4y n THR 104 N -3.34 0.73 -0.09 -0.16 -2.24 0.01 -4.50 114.28 104.70 1i4y n THR 104 Ca 0.00 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1i4y n THR 104 Cb 0.38 -1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.94 1.47 -0.23 2.28 2.08 -0.25 -4.06 119.36 117.72 1i4y n ILE 105 Ca -0.23 0.10 -0.06 0.00 0.56 0.00 0.00 62.75 63.13 1i4y n ILE 105 Cb 0.73 -2.24 0.04 0.00 -0.75 0.00 0.00 39.64 37.43 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 -1.00 0.74 0.00 4.38 3.32 -0.66 -1.92 116.42 121.28 1i4y h ASP 106 Ca -0.16 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1i4y h ASP 106 Cb 0.87 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1i4y h ASP 106 CO -0.10 0.54 0.17 -0.26 -1.72 0.00 0.00 179.24 177.87 1i4y h PHE 107 N 0.86 0.00 0.00 4.55 0.05 -1.28 -1.39 116.94 119.73 1i4y h PHE 107 Ca 0.23 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.96 1i4y h PHE 107 Cb -0.09 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.85 1i4y h PHE 107 CO -0.03 0.00 -0.28 0.87 -0.18 0.00 0.00 178.31 178.69 1i4y h LYS 108 N 0.00 0.00 -0.05 1.51 1.57 -1.49 -2.69 116.57 115.43 1i4y h LYS 108 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i4y h LYS 108 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1i4y h LYS 108 CO 0.00 0.28 0.00 2.48 -0.57 0.00 0.00 179.45 181.64 1i4y n TYR 109 N -4.11 0.06 -1.68 -1.35 0.18 -0.52 -4.86 117.16 104.88 1i4y n TYR 109 Ca -0.02 -0.03 -0.46 0.00 1.88 0.00 0.00 57.90 59.27 1i4y n TYR 109 Cb 0.34 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.26 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 -0.20 2.34 -0.94 -3.48 5.02 -1.02 -0.60 118.16 119.28 1i4y n LYS 110 Ca 0.19 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 1i4y n LYS 110 Cb 0.25 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 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 4.14 0.52 0.23 0.72 0.00 -1.26 -4.84 105.19 104.70 1i4y n GLY 111 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.96 1.80 0.00 1.61 5.02 0.23 -5.27 118.16 119.59 1i4y n LYS 112 Ca 0.00 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 1i4y n LYS 112 Cb 0.08 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1i4y n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32