#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 3.48 0.29 1.61 0.08 -1.26 -5.02 117.98 117.16 1i4y s PHE 2 Ca 0.00 1.36 -0.29 0.00 0.12 0.00 0.00 56.93 58.12 1i4y s PHE 2 Cb 0.00 -2.77 -0.10 0.00 -0.57 0.00 0.00 43.02 39.58 1i4y s PHE 2 CO 0.00 -0.74 1.12 -1.25 -0.10 0.00 0.00 175.22 174.25 1i4y s PRO 3 N -4.89 4.58 -0.42 0.24 0.04 -1.26 -4.99 135.00 128.30 1i4y s PRO 3 Ca 0.57 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 63.20 1i4y s PRO 3 Cb -0.12 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1i4y s PRO 3 CO 0.49 0.14 0.86 0.42 0.04 0.00 0.00 177.00 178.95 1i4y s ILE 4 N -1.18 4.60 0.36 0.56 -1.09 -1.26 -5.01 121.20 118.18 1i4y s ILE 4 Ca 0.46 0.79 -0.26 0.00 -2.23 0.00 0.00 60.65 59.40 1i4y s ILE 4 Cb -0.32 -4.33 -0.12 0.00 -1.58 0.00 0.00 42.46 36.10 1i4y s ILE 4 CO 0.42 -0.65 1.12 -0.81 -1.23 0.00 0.00 174.94 173.78 1i4y n PRO 5 N 6.81 1.65 -3.57 2.79 -0.04 -1.26 -4.98 135.00 136.40 1i4y n PRO 5 Ca 0.05 0.58 -0.23 0.00 -0.04 0.00 0.00 63.50 63.86 1i4y n PRO 5 Cb 0.48 -2.11 -0.16 0.00 -0.04 0.00 0.00 33.50 31.68 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 -0.54 1.95 0.76 3.54 2.15 -1.26 -2.84 116.67 120.43 1i4y s ASP 6 Ca 0.59 -0.44 -0.14 0.00 0.43 0.00 0.00 52.55 52.99 1i4y s ASP 6 Cb -0.59 -0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.07 1i4y s ASP 6 CO 0.59 -0.34 1.18 -2.16 -0.17 0.00 0.00 175.17 174.28 1i4y s PRO 7 N 2.21 1.98 -1.01 4.34 0.04 -1.26 -5.05 135.00 136.25 1i4y s PRO 7 Ca 0.04 1.67 -0.23 0.00 0.04 0.00 0.00 61.00 62.52 1i4y s PRO 7 Cb -0.16 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1i4y s PRO 7 CO -0.10 -1.93 1.60 -0.47 0.04 0.00 0.00 177.00 176.14 1i4y s TYR 8 N -2.18 2.35 0.03 0.56 6.14 -1.13 -4.91 117.35 118.23 1i4y s TYR 8 Ca 0.72 -0.50 -0.01 0.00 0.64 0.00 0.00 57.07 57.92 1i4y s TYR 8 Cb -0.27 -4.52 -0.03 0.00 0.42 0.00 0.00 41.96 37.56 1i4y s TYR 8 CO 0.48 -1.86 -0.02 0.08 0.64 0.00 0.00 175.55 174.86 1i4y s VAL 9 N 6.34 0.15 0.48 3.14 1.01 -1.26 -4.43 120.40 125.84 1i4y s VAL 9 Ca 0.53 -1.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 1i4y s VAL 9 Cb -0.01 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 1i4y s VAL 9 CO -0.06 -0.70 1.29 0.86 0.00 0.00 0.00 175.10 176.49 1i4y s TRP 10 N -2.50 2.59 0.04 5.22 -0.00 -1.26 -4.91 118.94 118.12 1i4y s TRP 10 Ca -0.06 1.42 -0.03 0.00 -0.00 0.00 0.00 56.10 57.43 1i4y s TRP 10 Cb -0.02 -3.66 -0.02 0.00 -0.00 0.00 0.00 33.47 29.77 1i4y s TRP 10 CO -0.05 -2.31 0.02 0.16 -0.00 0.00 0.00 176.95 174.78 1i4y s ASP 11 N -0.99 0.31 0.33 5.86 1.47 -1.26 -5.05 116.67 117.34 1i4y s ASP 11 Ca 0.65 -0.70 0.10 0.00 1.18 0.00 0.00 52.55 53.78 1i4y s ASP 11 Cb -0.37 0.19 0.57 0.00 -0.34 0.00 0.00 42.92 42.97 1i4y s ASP 11 CO 0.45 -0.50 1.19 -0.65 0.68 0.00 0.00 175.17 176.34 1i4y h PRO 12 N 3.68 0.00 0.00 2.11 0.11 -2.01 -0.75 132.00 135.15 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1i4y h PRO 12 CO 0.54 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.20 1i4y n SER 13 N -2.00 0.32 -0.89 -2.05 3.41 -1.26 -2.48 113.62 108.66 1i4y n SER 13 Ca -0.01 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1i4y n SER 13 Cb 0.42 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.82 0.29 -1.71 7.33 3.01 -0.29 -4.98 117.46 119.29 1i4y n PHE 14 Ca 0.05 -0.14 -0.42 0.00 1.01 0.00 0.00 57.45 57.94 1i4y n PHE 14 Cb 0.29 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 1i4y n PHE 14 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1i4y s ARG 15 N -1.71 4.13 -0.01 -1.08 3.52 -1.03 -4.90 118.95 117.86 1i4y s ARG 15 Ca 0.35 2.61 0.21 0.00 -0.13 0.00 0.00 55.73 58.77 1i4y s ARG 15 Cb 0.21 -3.34 -0.27 0.00 -1.56 0.00 0.00 34.95 29.99 1i4y s ARG 15 CO 0.30 -0.80 0.68 0.25 -0.81 0.00 0.00 175.30 174.91 1i4y n THR 16 N 4.37 0.00 -0.85 4.11 -2.24 -1.26 -4.98 114.28 113.42 1i4y n THR 16 Ca 0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1i4y n THR 16 Cb 0.37 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.84 0.00 -3.81 4.78 3.72 -1.26 -4.82 117.46 114.23 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 0.43 -0.05 -0.12 0.00 -0.94 0.00 0.00 39.48 38.80 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 3.45 0.22 1.38 2.02 -1.26 -5.01 117.35 116.14 1i4y s TYR 18 Ca 0.00 -2.11 -0.11 0.00 -0.37 0.00 0.00 57.07 54.47 1i4y s TYR 18 Cb 0.00 -2.77 0.30 0.00 -0.40 0.00 0.00 41.96 39.09 1i4y s TYR 18 CO 0.00 -0.89 1.64 0.66 -1.57 0.00 0.00 175.55 175.39 1i4y h SER 19 N 8.06 -0.41 -0.41 2.29 4.64 -1.99 -0.92 113.55 124.81 1i4y h SER 19 Ca -0.17 0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1i4y h SER 19 Cb 1.06 0.33 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1i4y h SER 19 CO 0.64 -0.17 -0.04 -0.29 -0.87 0.00 0.00 176.83 176.10 1i4y h ILE 20 N 0.07 1.25 -0.31 0.95 6.09 -1.99 -1.56 117.51 122.01 1i4y h ILE 20 Ca 0.33 -1.09 -0.06 0.00 -1.37 0.00 0.00 64.86 62.68 1i4y h ILE 20 Cb 0.54 0.92 -0.01 0.00 0.47 0.00 0.00 36.82 38.74 1i4y h ILE 20 CO -0.60 0.38 -0.03 0.40 -3.07 0.00 0.00 178.15 175.23 1i4y h ILE 21 N 0.77 1.27 -0.48 2.19 2.04 -1.85 -1.71 117.51 119.73 1i4y h ILE 21 Ca 0.14 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1i4y h ILE 21 Cb 0.52 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1i4y h ILE 21 CO 0.03 0.33 0.13 0.44 0.00 0.00 0.00 178.15 179.07 1i4y h ASP 22 N 0.35 0.66 0.41 1.72 3.32 -0.99 0.49 116.42 122.38 1i4y h ASP 22 Ca 0.08 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1i4y h ASP 22 Cb 0.48 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1i4y h ASP 22 CO 0.02 0.65 -0.55 0.44 -1.72 0.00 0.00 179.24 178.08 1i4y h ASP 23 N 0.70 0.18 -0.04 6.45 3.45 -1.11 -2.19 116.42 123.85 1i4y h ASP 23 Ca 0.16 -0.09 -0.22 0.00 0.43 0.00 0.00 57.03 57.30 1i4y h ASP 23 Cb 0.24 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1i4y h ASP 23 CO -0.00 0.69 -0.81 -0.33 -1.57 0.00 0.00 179.24 177.22 1i4y h GLU 24 N 0.12 0.71 -0.42 3.56 5.08 -0.60 -3.06 114.58 119.97 1i4y h GLU 24 Ca -0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1i4y h GLU 24 Cb 1.02 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1i4y h GLU 24 CO 0.08 1.21 0.28 0.45 -1.00 0.00 0.00 179.01 180.03 1i4y h HIS 25 N 0.47 0.52 -0.24 4.33 3.86 -0.70 -1.07 115.15 122.32 1i4y h HIS 25 Ca -0.06 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1i4y h HIS 25 Cb 1.43 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 1i4y h HIS 25 CO 0.08 0.33 0.07 0.87 0.86 0.00 0.00 177.93 180.14 1i4y h LYS 26 N 0.56 0.34 0.00 2.45 1.57 -1.30 -1.97 116.57 118.22 1i4y h LYS 26 Ca 0.15 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1i4y h LYS 26 Cb -0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1i4y h LYS 26 CO -0.03 0.31 -0.58 1.79 -0.57 0.00 0.00 179.45 180.37 1i4y h THR 27 N 0.34 1.22 -0.20 -0.16 1.35 -1.20 -2.67 112.91 111.59 1i4y h THR 27 Ca 0.09 -2.13 -0.16 0.00 -0.55 0.00 0.00 66.41 63.65 1i4y h THR 27 Cb 0.11 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1i4y h THR 27 CO -0.01 0.57 -0.50 -0.07 -0.25 0.00 0.00 175.52 175.26 1i4y h LEU 28 N 0.00 0.78 -0.32 3.87 3.38 -1.13 -1.55 115.31 120.34 1i4y h LEU 28 Ca -0.01 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.39 1i4y h LEU 28 Cb 1.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1i4y h LEU 28 CO 0.08 1.21 0.20 -0.26 0.09 0.00 0.00 178.44 179.75 1i4y h PHE 29 N 0.39 0.42 -0.61 1.13 -1.00 -1.46 -1.38 116.94 114.43 1i4y h PHE 29 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1i4y h PHE 29 Cb 1.11 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.51 1i4y h PHE 29 CO 0.09 0.30 0.39 -0.97 -1.61 0.00 0.00 178.31 176.51 1i4y h ASN 30 N 0.41 0.70 -0.12 2.17 -1.24 -1.44 0.57 115.58 116.63 1i4y h ASN 30 Ca 0.11 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 1i4y h ASN 30 Cb 0.00 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.87 1i4y h ASN 30 CO -0.02 0.51 0.01 1.23 -1.29 0.00 0.00 177.43 177.87 1i4y h GLY 31 N 0.83 0.22 1.56 1.57 0.00 -0.60 -2.81 103.07 103.84 1i4y h GLY 31 Ca 0.22 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 1i4y h GLY 31 CO -0.05 0.14 -0.29 -2.22 0.00 0.00 0.00 176.54 174.13 1i4y h ILE 32 N -0.04 1.28 -0.39 2.60 2.04 -0.94 -2.52 117.51 119.53 1i4y h ILE 32 Ca 0.04 -1.34 0.07 0.00 1.00 0.00 0.00 64.86 64.62 1i4y h ILE 32 Cb 0.32 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1i4y h ILE 32 CO 0.00 0.43 0.03 0.15 0.00 0.00 0.00 178.15 178.76 1i4y h PHE 33 N 0.44 0.03 -0.01 1.37 3.57 -0.79 -0.68 116.94 120.86 1i4y h PHE 33 Ca 0.06 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.41 1i4y h PHE 33 Cb 0.73 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1i4y h PHE 33 CO 0.02 -0.05 -0.79 0.45 -2.23 0.00 0.00 178.31 175.72 1i4y h HIS 34 N 0.14 0.23 -0.41 0.41 3.86 -1.41 -3.04 115.15 114.92 1i4y h HIS 34 Ca 0.19 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1i4y h HIS 34 Cb 0.26 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1i4y h HIS 34 CO -0.24 0.89 0.07 1.25 0.86 0.00 0.00 177.93 180.76 1i4y h LEU 35 N 0.10 0.58 -1.17 2.43 7.12 -1.02 0.16 115.31 123.52 1i4y h LEU 35 Ca -0.03 -0.10 -0.08 0.00 0.13 0.00 0.00 57.88 57.80 1i4y h LEU 35 Cb 1.39 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 41.35 1i4y h LEU 35 CO 0.12 0.60 -0.33 0.00 -0.13 0.00 0.00 178.44 178.70 1i4y h ALA 36 N 1.48 1.31 0.00 1.25 0.00 -1.02 -1.60 119.26 120.67 1i4y h ALA 36 Ca 0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1i4y h ALA 36 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1i4y h ALA 36 CO 0.00 0.49 -0.47 0.82 0.00 0.00 0.00 179.25 180.08 1i4y h ILE 37 N 0.13 1.42 -2.98 0.00 2.04 -1.30 -3.43 117.51 113.40 1i4y h ILE 37 Ca 0.02 -2.25 -0.61 0.00 1.00 0.00 0.00 64.86 63.02 1i4y h ILE 37 Cb 0.65 2.87 -0.40 0.00 -0.74 0.00 0.00 36.82 39.20 1i4y h ILE 37 CO 0.05 0.48 -0.75 -0.62 0.00 0.00 0.00 178.15 177.31 1i4y s ASP 38 N -6.44 3.64 -1.37 1.72 -1.08 0.50 -5.04 116.67 108.60 1i4y s ASP 38 Ca -0.22 -2.52 -0.13 0.00 -0.52 0.00 0.00 52.55 49.16 1i4y s ASP 38 Cb 0.00 -0.98 -0.04 0.00 -1.46 0.00 0.00 42.92 40.45 1i4y s ASP 38 CO 0.64 -0.28 2.42 -0.67 0.52 0.00 0.00 175.17 177.79 1i4y n ASP 39 N 3.67 5.39 -3.28 -0.34 4.64 -0.61 -4.30 116.55 121.73 1i4y n ASP 39 Ca 0.08 -2.68 -0.12 0.00 -1.38 0.00 0.00 54.79 50.69 1i4y n ASP 39 Cb 0.35 -1.50 -0.00 0.00 -1.04 0.00 0.00 41.12 38.93 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 5.28 1.84 -0.10 1.67 2.04 -1.26 -5.03 115.26 119.70 1i4y n ASN 40 Ca 0.60 -1.86 -0.13 0.00 -0.44 0.00 0.00 54.58 52.75 1i4y n ASN 40 Cb 0.31 -0.01 -0.04 0.00 -2.53 0.00 0.00 39.78 37.52 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 0.74 0.44 -0.53 -2.53 0.00 -2.00 -2.70 119.26 112.69 1i4y h ALA 41 Ca -0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1i4y h ALA 41 Cb 0.57 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1i4y h ALA 41 CO 0.25 0.40 0.31 -0.44 0.00 0.00 0.00 179.25 179.77 1i4y h ASP 42 N 0.45 0.64 0.31 0.00 3.32 -1.97 -1.80 116.42 117.37 1i4y h ASP 42 Ca 0.06 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1i4y h ASP 42 Cb 0.78 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1i4y h ASP 42 CO 0.06 0.52 -0.52 0.78 -1.72 0.00 0.00 179.24 178.37 1i4y h ASN 43 N 0.70 0.25 -0.51 6.45 2.35 -1.85 -2.00 115.58 120.98 1i4y h ASN 43 Ca 0.19 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 1i4y h ASN 43 Cb 0.01 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1i4y h ASN 43 CO -0.03 0.72 -0.14 0.25 -1.65 0.00 0.00 177.43 176.58 1i4y h LEU 44 N 0.18 1.01 -0.65 1.61 5.85 -1.35 -2.48 115.31 119.49 1i4y h LEU 44 Ca 0.01 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 1i4y h LEU 44 Cb 0.97 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1i4y h LEU 44 CO 0.08 1.15 0.20 1.23 -0.34 0.00 0.00 178.44 180.76 1i4y h GLY 45 N 0.86 1.08 0.94 3.75 0.00 -1.10 0.44 103.07 109.05 1i4y h GLY 45 Ca 0.13 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1i4y h GLY 45 CO 0.05 0.60 0.06 -2.09 0.00 0.00 0.00 176.54 175.16 1i4y h GLU 46 N 0.94 0.14 -0.29 4.80 4.57 -1.30 0.49 114.58 123.91 1i4y h GLU 46 Ca 0.21 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1i4y h GLU 46 Cb 0.30 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1i4y h GLU 46 CO -0.01 0.16 0.16 1.25 -1.18 0.00 0.00 179.01 179.39 1i4y h LEU 47 N 0.08 0.36 -0.58 1.64 5.85 -1.18 -2.17 115.31 119.31 1i4y h LEU 47 Ca 0.03 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1i4y h LEU 47 Cb 0.06 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1i4y h LEU 47 CO -0.01 0.34 0.29 -0.09 -0.34 0.00 0.00 178.44 178.64 1i4y h ARG 48 N 0.35 0.53 0.01 1.25 9.65 0.13 0.30 114.38 126.61 1i4y h ARG 48 Ca 0.10 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1i4y h ARG 48 Cb 0.06 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1i4y h ARG 48 CO -0.02 0.35 -0.00 -0.09 2.80 0.00 0.00 179.97 183.01 1i4y h ARG 49 N 0.55 -0.01 -0.04 0.20 2.43 -0.77 0.10 114.38 116.83 1i4y h ARG 49 Ca 0.27 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1i4y h ARG 49 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1i4y h ARG 49 CO -0.20 0.17 -0.27 0.00 -1.51 0.00 0.00 179.97 178.17 1i4y h THR 51 N 0.07 1.41 -0.54 0.00 2.02 -0.27 -1.41 112.91 114.19 1i4y h THR 51 Ca 0.01 -1.98 -0.00 0.00 0.77 0.00 0.00 66.41 65.21 1i4y h THR 51 Cb 0.51 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 1i4y h THR 51 CO 0.04 0.58 0.32 1.23 0.37 0.00 0.00 175.52 178.06 1i4y h GLY 52 N -0.04 0.79 0.73 2.16 0.00 -0.55 -0.82 103.07 105.34 1i4y h GLY 52 Ca -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1i4y h GLY 52 CO 0.11 0.32 -0.01 1.70 0.00 0.00 0.00 176.54 178.65 1i4y h LYS 53 N 0.73 0.19 -0.16 4.80 3.11 -1.19 -2.37 116.57 121.68 1i4y h LYS 53 Ca 0.19 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.96 1i4y h LYS 53 Cb -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1i4y h LYS 53 CO -0.04 0.48 0.09 1.25 -2.81 0.00 0.00 179.45 178.42 1i4y h HIS 54 N -0.12 0.22 -0.78 1.91 2.76 -1.14 -0.34 115.15 117.66 1i4y h HIS 54 Ca 0.03 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1i4y h HIS 54 Cb 0.40 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 1i4y h HIS 54 CO 0.05 0.21 0.49 0.74 -1.30 0.00 0.00 177.93 178.11 1i4y h PHE 55 N 0.17 0.91 0.04 5.26 0.04 -1.18 0.20 116.94 122.37 1i4y h PHE 55 Ca 0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1i4y h PHE 55 Cb 0.06 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.91 1i4y h PHE 55 CO -0.04 0.50 -0.02 1.25 -0.60 0.00 0.00 178.31 179.40 1i4y h LEU 56 N 0.93 -0.04 -0.37 1.54 5.85 -1.19 -0.85 115.31 121.18 1i4y h LEU 56 Ca 0.32 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1i4y h LEU 56 Cb 0.06 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1i4y h LEU 56 CO -0.13 0.23 0.20 0.78 -0.34 0.00 0.00 178.44 179.17 1i4y h ASN 57 N -0.32 0.30 -0.95 1.25 -0.26 -0.79 -0.01 115.58 114.80 1i4y h ASN 57 Ca -0.01 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1i4y h ASN 57 Cb 0.29 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.46 1i4y h ASN 57 CO 0.01 0.22 0.58 -0.08 -1.06 0.00 0.00 177.43 177.09 1i4y h GLU 58 N 0.40 1.28 -0.75 0.81 4.81 -0.58 -1.17 114.58 119.39 1i4y h GLU 58 Ca 0.15 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1i4y h GLU 58 Cb 0.04 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 1i4y h GLU 58 CO -0.09 0.89 0.28 1.96 -0.73 0.00 0.00 179.01 181.32 1i4y h GLN 59 N 1.30 1.13 -0.08 1.92 4.20 -0.41 -0.68 115.11 122.49 1i4y h GLN 59 Ca 0.34 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1i4y h GLN 59 Cb -0.06 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 1i4y h GLN 59 CO -0.06 0.92 0.03 0.28 -0.67 0.00 0.00 178.83 179.33 1i4y h VAL 60 N 1.10 1.15 -0.94 -0.54 2.07 -0.30 -0.88 116.25 117.91 1i4y h VAL 60 Ca 0.25 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1i4y h VAL 60 Cb 0.23 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1i4y h VAL 60 CO -0.02 0.13 0.63 0.25 0.02 0.00 0.00 177.57 178.58 1i4y h LEU 61 N -0.05 1.08 -0.67 2.57 5.85 -1.06 0.45 115.31 123.48 1i4y h LEU 61 Ca 0.03 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1i4y h LEU 61 Cb 0.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1i4y h LEU 61 CO -0.00 0.78 0.20 0.24 -0.34 0.00 0.00 178.44 179.32 1i4y h MET 62 N 1.27 1.05 0.00 1.25 2.86 -0.89 -2.63 114.93 117.84 1i4y h MET 62 Ca 0.35 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1i4y h MET 62 Cb -0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 1i4y h MET 62 CO -0.08 0.91 -0.31 1.96 1.06 0.00 0.00 176.91 180.46 1i4y h GLN 63 N 0.98 0.00 -0.07 1.72 4.20 -0.40 0.13 115.11 121.67 1i4y h GLN 63 Ca 0.21 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.95 1i4y h GLN 63 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1i4y h GLN 63 CO -0.01 0.31 0.07 0.00 -0.67 0.00 0.00 178.83 178.54 1i4y h ALA 64 N 1.69 1.71 0.00 3.87 0.00 -0.54 -1.03 119.26 124.96 1i4y h ALA 64 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i4y h ALA 64 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1i4y h ALA 64 CO 0.04 -0.11 -0.02 0.43 0.00 0.00 0.00 179.25 179.59 1i4y n SER 65 N -3.95 2.25 -4.06 0.00 7.64 -1.10 -4.99 113.62 109.41 1i4y n SER 65 Ca -0.01 -3.03 -0.31 0.00 1.01 0.00 0.00 58.87 56.53 1i4y n SER 65 Cb 0.17 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.37 -1.82 -1.62 1.43 6.02 -0.39 -4.74 117.38 114.89 1i4y n GLN 66 Ca 0.15 0.26 -0.57 0.00 -0.01 0.00 0.00 57.00 56.83 1i4y n GLN 66 Cb 0.64 -3.87 -0.07 0.00 1.02 0.00 0.00 30.24 27.96 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 -4.54 1.49 -0.32 1.08 -0.00 0.43 -4.85 117.16 110.45 1i4y n TYR 67 Ca -0.26 0.76 0.07 0.00 -0.00 0.00 0.00 57.90 58.46 1i4y n TYR 67 Cb 0.66 -2.30 0.27 0.00 -0.00 0.00 0.00 39.34 37.97 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 4.94 0.92 -0.78 2.98 4.15 -1.90 -2.78 115.11 122.64 1i4y h GLN 68 Ca -0.48 -0.06 -0.39 0.00 0.77 0.00 0.00 58.65 58.50 1i4y h GLN 68 Cb 1.35 -0.21 -0.23 0.00 0.21 0.00 0.00 27.48 28.61 1i4y h GLN 68 CO 0.82 0.61 0.40 1.19 -1.93 0.00 0.00 178.83 179.92 1i4y n PHE 69 N -4.55 2.42 -0.15 3.99 3.01 -1.26 -4.69 117.46 116.22 1i4y n PHE 69 Ca 0.16 -1.72 -0.05 0.00 1.01 0.00 0.00 57.45 56.86 1i4y n PHE 69 Cb 0.31 -0.79 0.04 0.00 -0.01 0.00 0.00 39.48 39.04 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 1.15 0.44 0.07 1.38 5.03 -1.87 -2.62 116.97 120.55 1i4y h TYR 70 Ca 0.48 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.81 1i4y h TYR 70 Cb 2.46 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 40.60 1i4y h TYR 70 CO 1.40 0.22 -0.09 -0.44 -1.32 0.00 0.00 178.16 177.93 1i4y h ASP 71 N 0.48 -0.24 -0.04 -2.11 3.32 -1.86 0.13 116.42 116.09 1i4y h ASP 71 Ca 0.21 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1i4y h ASP 71 Cb 0.11 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1i4y h ASP 71 CO -0.14 -0.14 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.09 1i4y h GLU 72 N -0.19 0.28 -0.22 3.56 4.57 -1.93 -1.98 114.58 118.67 1i4y h GLU 72 Ca 0.01 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1i4y h GLU 72 Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1i4y h GLU 72 CO -0.04 0.37 -0.09 1.25 -1.18 0.00 0.00 179.01 179.32 1i4y h HIS 73 N 0.27 0.52 -0.60 0.92 2.76 -1.03 -2.64 115.15 115.34 1i4y h HIS 73 Ca 0.06 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 1i4y h HIS 73 Cb 0.31 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 1i4y h HIS 73 CO 0.01 0.72 0.30 -0.22 -1.30 0.00 0.00 177.93 177.43 1i4y h LYS 74 N 0.17 0.85 -0.34 5.26 3.64 -0.47 -1.34 116.57 124.34 1i4y h LYS 74 Ca 0.05 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1i4y h LYS 74 Cb 0.57 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1i4y h LYS 74 CO 0.03 0.65 0.04 0.87 -2.27 0.00 0.00 179.45 178.77 1i4y h LYS 75 N 0.85 0.50 -0.09 1.90 1.79 -1.21 -0.15 116.57 120.16 1i4y h LYS 75 Ca 0.21 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1i4y h LYS 75 Cb 0.08 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1i4y h LYS 75 CO -0.03 0.50 -0.03 0.93 -1.08 0.00 0.00 179.45 179.74 1i4y h GLU 76 N 0.49 0.18 -0.86 3.15 4.39 -0.91 -2.53 114.58 118.49 1i4y h GLU 76 Ca 0.11 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 59.85 1i4y h GLU 76 Cb 0.26 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.82 1i4y h GLU 76 CO 0.00 0.51 0.49 0.45 -1.16 0.00 0.00 179.01 179.31 1i4y h HIS 77 N -0.17 0.88 -0.78 4.33 3.86 -0.82 -1.72 115.15 120.73 1i4y h HIS 77 Ca 0.02 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1i4y h HIS 77 Cb 0.45 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 1i4y h HIS 77 CO 0.06 0.34 0.39 0.93 0.86 0.00 0.00 177.93 180.51 1i4y h GLU 78 N 0.79 1.12 -0.71 2.45 5.08 -0.93 -2.14 114.58 120.25 1i4y h GLU 78 Ca 0.42 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1i4y h GLU 78 Cb 0.43 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1i4y h GLU 78 CO -0.27 0.86 0.44 1.79 -1.00 0.00 0.00 179.01 180.82 1i4y h THR 79 N 1.10 1.19 0.05 1.13 1.35 -0.88 0.15 112.91 117.01 1i4y h THR 79 Ca 0.27 -0.41 -0.28 0.00 -0.55 0.00 0.00 66.41 65.44 1i4y h THR 79 Cb 0.09 0.18 0.02 0.00 -1.73 0.00 0.00 68.15 66.72 1i4y h THR 79 CO -0.04 0.20 -1.12 0.15 -0.25 0.00 0.00 175.52 174.46 1i4y h PHE 80 N 0.97 1.03 -0.84 4.73 3.57 -1.34 -2.21 116.94 122.85 1i4y h PHE 80 Ca 0.26 -0.60 -0.04 0.00 3.53 0.00 0.00 57.97 61.12 1i4y h PHE 80 Cb -0.06 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1i4y h PHE 80 CO 0.00 1.43 0.39 0.82 -2.23 0.00 0.00 178.31 178.73 1i4y h ILE 81 N 0.34 1.26 -0.62 1.41 1.08 -1.18 0.15 117.51 119.96 1i4y h ILE 81 Ca -0.15 -0.76 -0.03 0.00 -0.39 0.00 0.00 64.86 63.53 1i4y h ILE 81 Cb 1.78 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 1i4y h ILE 81 CO 0.22 0.32 0.29 -0.74 -0.69 0.00 0.00 178.15 177.55 1i4y h HIS 82 N 1.21 0.91 -0.44 1.37 2.76 -0.69 -0.64 115.15 119.62 1i4y h HIS 82 Ca 0.29 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 1i4y h HIS 82 Cb 0.14 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1i4y h HIS 82 CO 0.02 0.70 0.21 0.00 -1.30 0.00 0.00 177.93 177.56 1i4y h ALA 83 N 1.12 0.57 0.00 5.26 0.00 -0.75 -2.33 119.26 123.13 1i4y h ALA 83 Ca 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1i4y h ALA 83 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1i4y h ALA 83 CO -0.02 0.14 -0.28 -0.07 0.00 0.00 0.00 179.25 179.02 1i4y h LEU 84 N 0.57 0.00 0.00 0.00 3.38 -0.59 -1.61 115.31 117.07 1i4y h LEU 84 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1i4y h LEU 84 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1i4y h LEU 84 CO -0.02 0.28 -0.13 0.47 0.09 0.00 0.00 178.44 179.13 1i4y n ASP 85 N -4.16 0.26 -2.43 -0.43 10.43 -0.28 -3.42 116.55 116.51 1i4y n ASP 85 Ca -0.02 0.35 -0.11 0.00 2.57 0.00 0.00 54.79 57.58 1i4y n ASP 85 Cb 0.33 -0.37 0.04 0.00 1.84 0.00 0.00 41.12 42.96 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 -1.66 3.07 -4.68 -2.24 3.02 -0.91 -5.09 115.26 106.77 1i4y n ASN 86 Ca 0.06 -2.82 -0.49 0.00 -0.03 0.00 0.00 54.58 51.30 1i4y n ASN 86 Cb 0.36 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1i4y n ASN 86 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1i4y n TRP 87 N -0.64 2.26 0.49 3.10 -0.00 -0.64 -4.90 117.44 117.11 1i4y n TRP 87 Ca 0.24 0.12 0.06 0.00 -0.00 0.00 0.00 57.50 57.92 1i4y n TRP 87 Cb 0.88 -2.61 0.05 0.00 -0.00 0.00 0.00 31.31 29.63 1i4y n TRP 87 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1i4y n LYS 88 N 5.94 0.68 -0.39 5.87 -0.00 -1.26 -5.00 118.16 123.99 1i4y n LYS 88 Ca 0.22 -1.17 0.00 0.00 -0.00 0.00 0.00 58.31 57.36 1i4y n LYS 88 Cb 0.27 -1.22 0.00 0.00 -0.00 0.00 0.00 35.03 34.08 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 0.67 0.76 2.94 2.58 0.00 -1.26 -5.01 105.19 105.87 1i4y n GLY 89 Ca 0.07 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 0.71 4.77 -0.34 1.61 4.64 -1.26 -4.78 116.55 121.90 1i4y n ASP 90 Ca 0.00 -3.01 0.04 0.00 -1.38 0.00 0.00 54.79 50.43 1i4y n ASP 90 Cb 0.00 -1.55 0.21 0.00 -1.04 0.00 0.00 41.12 38.74 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 4.01 1.07 -0.52 5.18 3.04 -1.96 -1.95 116.25 125.13 1i4y h VAL 91 Ca 0.44 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.72 1i4y h VAL 91 Cb 0.67 -0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.80 1i4y h VAL 91 CO 1.65 0.20 0.22 0.11 -1.01 0.00 0.00 177.57 178.73 1i4y h LYS 92 N 1.10 0.74 -0.28 4.17 1.57 -2.00 -0.16 116.57 121.71 1i4y h LYS 92 Ca 0.42 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 59.01 1i4y h LYS 92 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1i4y h LYS 92 CO -0.17 0.60 -0.18 2.35 -0.57 0.00 0.00 179.45 181.49 1i4y h TRP 93 N 0.73 0.71 -0.95 -1.35 7.01 -1.77 -2.62 115.95 117.71 1i4y h TRP 93 Ca 0.18 -0.19 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1i4y h TRP 93 Cb 0.13 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 26.99 1i4y h TRP 93 CO 0.01 0.87 0.59 0.00 -2.79 0.00 0.00 178.44 177.12 1i4y h ALA 94 N 0.73 1.24 -0.39 2.65 0.00 -0.95 0.17 119.26 122.71 1i4y h ALA 94 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1i4y h ALA 94 Cb 0.71 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1i4y h ALA 94 CO 0.05 0.66 0.22 0.87 0.00 0.00 0.00 179.25 181.05 1i4y h LYS 95 N 1.31 0.55 0.00 0.00 1.57 -0.97 -1.75 116.57 117.28 1i4y h LYS 95 Ca 0.34 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.91 1i4y h LYS 95 Cb -0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1i4y h LYS 95 CO -0.07 0.44 -0.72 0.66 -0.57 0.00 0.00 179.45 179.20 1i4y h SER 96 N 0.50 0.00 -0.21 0.86 4.64 -1.17 -2.96 113.55 115.21 1i4y h SER 96 Ca 0.14 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1i4y h SER 96 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1i4y h SER 96 CO -0.02 0.72 0.07 -0.25 -0.87 0.00 0.00 176.83 176.48 1i4y h TRP 97 N 0.00 0.34 -0.25 4.77 7.01 -0.37 -1.41 115.95 126.05 1i4y h TRP 97 Ca -0.01 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1i4y h TRP 97 Cb 1.33 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.28 1i4y h TRP 97 CO 0.00 0.41 0.07 1.25 -2.79 0.00 0.00 178.44 177.38 1i4y h LEU 98 N 0.18 0.38 0.08 0.65 5.85 -1.38 0.16 115.31 121.23 1i4y h LEU 98 Ca 0.07 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1i4y h LEU 98 Cb 0.23 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1i4y h LEU 98 CO -0.00 0.49 -0.17 0.58 -0.34 0.00 0.00 178.44 179.00 1i4y h VAL 99 N 0.24 0.61 -0.17 1.05 2.07 -1.49 -2.11 116.25 116.45 1i4y h VAL 99 Ca 0.08 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 1i4y h VAL 99 Cb 0.26 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1i4y h VAL 99 CO -0.00 0.00 -0.25 0.78 0.02 0.00 0.00 177.57 178.12 1i4y h ASN 100 N -0.32 0.31 -0.06 0.57 4.21 -1.21 -2.34 115.58 116.74 1i4y h ASN 100 Ca 0.03 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.44 1i4y h ASN 100 Cb 0.35 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1i4y h ASN 100 CO -0.11 0.56 0.00 -0.74 -1.29 0.00 0.00 177.43 175.86 1i4y h HIS 101 N 0.28 0.10 0.18 1.19 2.76 -0.67 -0.76 115.15 118.24 1i4y h HIS 101 Ca 0.04 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1i4y h HIS 101 Cb 0.59 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1i4y h HIS 101 CO 0.01 0.36 -0.09 0.82 -1.30 0.00 0.00 177.93 177.74 1i4y h ILE 102 N -0.18 0.91 0.00 6.26 2.04 -1.36 0.21 117.51 125.38 1i4y h ILE 102 Ca 0.02 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1i4y h ILE 102 Cb 0.32 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1i4y h ILE 102 CO 0.00 0.10 -0.22 0.11 0.00 0.00 0.00 178.15 178.14 1i4y h LYS 103 N -0.45 0.00 0.00 2.37 1.57 -1.47 -0.58 116.57 118.02 1i4y h LYS 103 Ca -0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.54 1i4y h LYS 103 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1i4y h LYS 103 CO 0.04 0.22 -1.81 0.25 -0.57 0.00 0.00 179.45 177.59 1i4y n THR 104 N -3.47 0.81 -0.09 -0.16 -2.24 -0.29 -4.52 114.28 104.33 1i4y n THR 104 Ca -0.00 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 1i4y n THR 104 Cb 0.40 -0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 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 -2.89 1.48 -0.35 2.28 2.08 0.43 -4.07 119.36 118.31 1i4y n ILE 105 Ca -0.25 0.07 -0.03 0.00 0.56 0.00 0.00 62.75 63.11 1i4y n ILE 105 Cb 0.77 -2.21 0.10 0.00 -0.75 0.00 0.00 39.64 37.55 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 1.11 -0.00 4.38 5.19 -0.47 -2.27 116.42 123.37 1i4y h ASP 106 Ca -0.19 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1i4y h ASP 106 Cb 0.94 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 1i4y h ASP 106 CO -0.12 0.84 0.06 -0.26 -3.12 0.00 0.00 179.24 176.64 1i4y h PHE 107 N 1.29 0.00 0.00 4.55 0.05 -1.32 -1.75 116.94 119.76 1i4y h PHE 107 Ca 0.34 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 62.08 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 0.00 0.00 -0.25 0.87 -0.18 0.00 0.00 178.31 178.75 1i4y h LYS 108 N 0.00 0.00 -0.13 1.51 1.57 -1.55 -2.79 116.57 115.18 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1i4y h LYS 108 CO -0.00 0.25 0.00 2.48 -0.57 0.00 0.00 179.45 181.61 1i4y n TYR 109 N -3.72 0.17 -1.68 -1.35 0.18 -0.66 -4.86 117.16 105.24 1i4y n TYR 109 Ca -0.01 -0.08 -0.44 0.00 1.88 0.00 0.00 57.90 59.24 1i4y n TYR 109 Cb 0.36 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.28 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 0.21 2.56 -0.97 -3.48 5.02 -1.06 -0.66 118.16 119.79 1i4y n LYS 110 Ca 0.16 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 1i4y n LYS 110 Cb 0.31 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 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 4.22 0.69 0.24 0.72 0.00 -1.26 -4.85 105.19 104.95 1i4y n GLY 111 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.24 1.85 0.00 1.61 5.02 0.17 -5.26 118.16 119.30 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 0.03 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1i4y n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32