#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 3.49 0.65 1.61 0.08 -1.26 -5.03 117.98 117.51 1i4y s PHE 2 Ca 0.00 1.20 -0.16 0.00 0.12 0.00 0.00 56.93 58.09 1i4y s PHE 2 Cb 0.00 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1i4y s PHE 2 CO 0.00 -0.27 1.15 -1.25 -0.10 0.00 0.00 175.22 174.75 1i4y s PRO 3 N -4.13 2.76 -0.44 0.24 0.04 -1.26 -4.99 135.00 127.23 1i4y s PRO 3 Ca 0.54 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 1i4y s PRO 3 Cb -0.10 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.55 1i4y s PRO 3 CO 0.35 -1.32 0.35 0.42 0.04 0.00 0.00 177.00 176.84 1i4y s ILE 4 N -2.06 5.24 0.33 0.56 -1.09 -1.26 -5.03 121.20 117.88 1i4y s ILE 4 Ca 0.71 -0.81 -0.27 0.00 -2.23 0.00 0.00 60.65 58.05 1i4y s ILE 4 Cb -0.24 -4.02 -0.13 0.00 -1.58 0.00 0.00 42.46 36.49 1i4y s ILE 4 CO 0.39 -0.43 0.98 -0.81 -1.23 0.00 0.00 174.94 173.84 1i4y n PRO 5 N 5.20 1.32 -3.53 2.79 -0.04 -1.26 -4.97 135.00 134.51 1i4y n PRO 5 Ca -0.11 0.46 -0.21 0.00 -0.04 0.00 0.00 63.50 63.60 1i4y n PRO 5 Cb 0.46 -1.87 -0.14 0.00 -0.04 0.00 0.00 33.50 31.90 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 -0.62 1.81 0.71 3.54 -1.08 -1.26 -2.93 116.67 116.84 1i4y s ASP 6 Ca 0.60 -0.42 -0.16 0.00 -0.52 0.00 0.00 52.55 52.05 1i4y s ASP 6 Cb -0.66 0.14 0.03 0.00 -1.46 0.00 0.00 42.92 40.97 1i4y s ASP 6 CO 0.59 -0.34 1.24 -2.16 0.52 0.00 0.00 175.17 175.02 1i4y s PRO 7 N 2.25 2.19 -1.00 4.34 0.04 -1.26 -5.05 135.00 136.51 1i4y s PRO 7 Ca 0.05 1.88 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 1i4y s PRO 7 Cb -0.16 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1i4y s PRO 7 CO -0.13 -1.82 1.74 -0.47 0.04 0.00 0.00 177.00 176.36 1i4y s TYR 8 N -1.78 2.16 0.06 0.56 6.14 -1.15 -4.90 117.35 118.44 1i4y s TYR 8 Ca 0.77 -0.10 0.01 0.00 0.64 0.00 0.00 57.07 58.39 1i4y s TYR 8 Cb -0.32 -4.34 -0.03 0.00 0.42 0.00 0.00 41.96 37.69 1i4y s TYR 8 CO 0.44 -1.77 -0.05 0.08 0.64 0.00 0.00 175.55 174.89 1i4y s VAL 9 N 7.83 0.42 0.47 3.14 1.01 -1.26 -4.47 120.40 127.53 1i4y s VAL 9 Ca 0.60 -1.50 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 1i4y s VAL 9 Cb -0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 1i4y s VAL 9 CO -0.02 -0.72 1.18 0.86 0.00 0.00 0.00 175.10 176.40 1i4y s TRP 10 N -2.76 2.83 0.05 5.22 -0.00 -1.26 -4.87 118.94 118.14 1i4y s TRP 10 Ca 0.00 1.52 -0.01 0.00 -0.00 0.00 0.00 56.10 57.61 1i4y s TRP 10 Cb -0.00 -3.41 -0.04 0.00 -0.00 0.00 0.00 33.47 30.01 1i4y s TRP 10 CO -0.04 -1.61 -0.02 0.16 -0.00 0.00 0.00 176.95 175.44 1i4y s ASP 11 N -1.32 0.47 0.66 5.86 1.47 -1.26 -5.05 116.67 117.50 1i4y s ASP 11 Ca 0.64 -0.98 0.24 0.00 1.18 0.00 0.00 52.55 53.63 1i4y s ASP 11 Cb -0.30 0.21 1.27 0.00 -0.34 0.00 0.00 42.92 43.76 1i4y s ASP 11 CO 0.36 -0.60 1.72 -0.65 0.68 0.00 0.00 175.17 176.67 1i4y h PRO 12 N 3.14 0.00 0.00 2.11 0.11 -2.01 -1.00 132.00 134.35 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 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1i4y h PRO 12 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 1i4y n SER 13 N -2.87 0.49 -0.50 -2.05 3.41 -1.26 -1.93 113.62 108.91 1i4y n SER 13 Ca -0.00 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 1i4y n SER 13 Cb 0.55 -0.72 0.39 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.04 0.00 -1.68 7.33 3.01 -0.38 -4.97 117.46 118.73 1i4y n PHE 14 Ca 0.03 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.03 1i4y n PHE 14 Cb 0.22 -0.03 -0.04 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 0.15 2.33 -0.00 -1.08 0.63 -0.81 -4.90 116.66 112.99 1i4y n ARG 15 Ca 0.16 0.85 0.10 0.00 -0.92 0.00 0.00 57.85 58.04 1i4y n ARG 15 Cb 0.40 -2.66 -0.14 0.00 0.45 0.00 0.00 32.46 30.51 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 4.11 0.00 -0.98 5.15 -2.24 -1.26 -4.98 114.28 114.08 1i4y n THR 16 Ca 0.18 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1i4y n THR 16 Cb 0.31 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.75 0.00 -3.85 4.78 3.72 -1.26 -4.80 117.46 114.29 1i4y n PHE 17 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.06 1i4y n PHE 17 Cb 0.41 -0.21 -0.13 0.00 -0.94 0.00 0.00 39.48 38.61 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 3.47 0.26 1.38 2.02 -1.26 -5.01 117.35 116.21 1i4y s TYR 18 Ca 0.00 -2.23 -0.03 0.00 -0.37 0.00 0.00 57.07 54.44 1i4y s TYR 18 Cb 0.00 -2.72 0.53 0.00 -0.40 0.00 0.00 41.96 39.37 1i4y s TYR 18 CO 0.00 -0.90 1.69 0.66 -1.57 0.00 0.00 175.55 175.43 1i4y h SER 19 N 7.99 0.08 -0.38 2.29 4.64 -1.99 -0.60 113.55 125.59 1i4y h SER 19 Ca -0.16 0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1i4y h SER 19 Cb 1.05 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1i4y h SER 19 CO 0.61 -0.03 -0.33 -0.29 -0.87 0.00 0.00 176.83 175.92 1i4y h ILE 20 N 0.30 1.28 -0.17 0.95 6.09 -1.99 -1.90 117.51 122.06 1i4y h ILE 20 Ca 0.45 -1.50 -0.01 0.00 -1.37 0.00 0.00 64.86 62.43 1i4y h ILE 20 Cb 0.80 1.38 -0.01 0.00 0.47 0.00 0.00 36.82 39.46 1i4y h ILE 20 CO -0.52 0.50 0.07 0.40 -3.07 0.00 0.00 178.15 175.52 1i4y h ILE 21 N 0.70 1.16 -0.76 2.19 2.04 -1.88 -1.30 117.51 119.66 1i4y h ILE 21 Ca 0.07 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.49 1i4y h ILE 21 Cb 0.92 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1i4y h ILE 21 CO 0.08 0.16 0.50 0.44 0.00 0.00 0.00 178.15 179.33 1i4y h ASP 22 N 0.12 0.71 -0.14 1.72 3.32 -1.08 0.84 116.42 121.91 1i4y h ASP 22 Ca 0.06 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1i4y h ASP 22 Cb 0.18 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1i4y h ASP 22 CO -0.00 0.46 -0.42 0.44 -1.72 0.00 0.00 179.24 178.00 1i4y h ASP 23 N 0.81 0.72 -0.37 6.45 3.45 -1.01 -2.27 116.42 124.19 1i4y h ASP 23 Ca 0.33 -0.33 -0.14 0.00 0.43 0.00 0.00 57.03 57.31 1i4y h ASP 23 Cb 0.24 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1i4y h ASP 23 CO -0.11 1.05 -0.31 -0.33 -1.57 0.00 0.00 179.24 177.97 1i4y h GLU 24 N 0.55 0.90 -0.44 3.56 5.08 -0.07 -2.90 114.58 121.26 1i4y h GLU 24 Ca 0.04 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1i4y h GLU 24 Cb 0.95 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1i4y h GLU 24 CO 0.09 1.07 0.29 0.45 -1.00 0.00 0.00 179.01 179.91 1i4y h HIS 25 N 0.76 0.55 -0.55 4.33 3.86 -0.68 -1.00 115.15 122.42 1i4y h HIS 25 Ca 0.08 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1i4y h HIS 25 Cb 0.87 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 1i4y h HIS 25 CO 0.05 0.34 0.25 0.87 0.86 0.00 0.00 177.93 180.31 1i4y h LYS 26 N 0.59 0.77 -0.30 2.45 1.57 -1.20 -2.17 116.57 118.27 1i4y h LYS 26 Ca 0.16 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1i4y h LYS 26 Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1i4y h LYS 26 CO -0.04 0.61 -0.32 1.79 -0.57 0.00 0.00 179.45 180.93 1i4y h THR 27 N 0.77 1.28 -0.72 -0.16 1.35 -1.16 -2.58 112.91 111.69 1i4y h THR 27 Ca 0.19 -1.44 -0.06 0.00 -0.55 0.00 0.00 66.41 64.55 1i4y h THR 27 Cb 0.10 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 1i4y h THR 27 CO -0.02 0.47 0.22 -0.07 -0.25 0.00 0.00 175.52 175.86 1i4y h LEU 28 N 0.55 1.04 -0.32 3.87 3.38 -1.15 0.16 115.31 122.85 1i4y h LEU 28 Ca 0.06 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1i4y h LEU 28 Cb 0.81 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1i4y h LEU 28 CO 0.07 0.97 0.02 -0.26 0.09 0.00 0.00 178.44 179.33 1i4y h PHE 29 N 1.07 0.59 -0.43 1.13 -1.00 -1.40 -2.17 116.94 114.74 1i4y h PHE 29 Ca 0.23 -0.10 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 1i4y h PHE 29 Cb 0.31 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1i4y h PHE 29 CO 0.02 0.66 0.12 -0.97 -1.61 0.00 0.00 178.31 176.53 1i4y h ASN 30 N 0.36 0.57 -0.37 2.17 -1.24 -1.21 0.66 115.58 116.52 1i4y h ASN 30 Ca 0.09 -0.08 -0.08 0.00 0.71 0.00 0.00 56.30 56.94 1i4y h ASN 30 Cb 0.41 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 1i4y h ASN 30 CO 0.01 0.56 -0.07 1.23 -1.29 0.00 0.00 177.43 177.87 1i4y h GLY 31 N 0.82 0.76 1.40 1.57 0.00 -0.78 -2.91 103.07 103.92 1i4y h GLY 31 Ca 0.14 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 1i4y h GLY 31 CO -0.01 0.56 -0.36 -2.22 0.00 0.00 0.00 176.54 174.52 1i4y h ILE 32 N 0.50 1.29 -0.45 2.60 2.04 -1.08 -2.68 117.51 119.73 1i4y h ILE 32 Ca 0.10 -1.51 0.09 0.00 1.00 0.00 0.00 64.86 64.53 1i4y h ILE 32 Cb 0.58 1.45 -0.08 0.00 -0.74 0.00 0.00 36.82 38.02 1i4y h ILE 32 CO 0.03 0.49 -0.04 0.15 0.00 0.00 0.00 178.15 178.79 1i4y h PHE 33 N 0.56 -0.09 -0.01 1.37 3.57 -0.74 -1.61 116.94 119.99 1i4y h PHE 33 Ca 0.06 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.42 1i4y h PHE 33 Cb 0.88 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1i4y h PHE 33 CO 0.04 -0.13 -0.77 0.45 -2.23 0.00 0.00 178.31 175.67 1i4y h HIS 34 N 0.07 0.20 0.00 0.41 3.86 -1.51 -3.06 115.15 115.12 1i4y h HIS 34 Ca 0.23 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1i4y h HIS 34 Cb 0.34 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1i4y h HIS 34 CO -0.32 0.86 -0.14 1.25 0.86 0.00 0.00 177.93 180.44 1i4y h LEU 35 N 0.09 0.00 -0.28 2.43 7.12 -1.05 0.11 115.31 123.73 1i4y h LEU 35 Ca -0.02 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.80 1i4y h LEU 35 Cb 1.36 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.47 1i4y h LEU 35 CO 0.11 0.14 -0.87 0.00 -0.13 0.00 0.00 178.44 177.69 1i4y h ALA 36 N 1.86 0.56 0.10 1.25 0.00 -1.21 -2.53 119.26 119.28 1i4y h ALA 36 Ca -0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 54.91 53.90 1i4y h ALA 36 Cb 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1i4y h ALA 36 CO 0.02 1.03 -1.20 0.82 0.00 0.00 0.00 179.25 179.91 1i4y h ILE 37 N 0.03 1.15 -2.53 0.00 2.04 -1.34 -3.43 117.51 113.44 1i4y h ILE 37 Ca -0.02 -2.40 -0.59 0.00 1.00 0.00 0.00 64.86 62.85 1i4y h ILE 37 Cb 1.53 2.80 -0.39 0.00 -0.74 0.00 0.00 36.82 40.01 1i4y h ILE 37 CO 0.12 0.66 -0.89 -0.62 0.00 0.00 0.00 178.15 177.42 1i4y s ASP 38 N -6.95 2.32 -0.92 1.72 -1.08 0.31 -5.05 116.67 107.04 1i4y s ASP 38 Ca -0.20 -2.74 -0.23 0.00 -0.52 0.00 0.00 52.55 48.86 1i4y s ASP 38 Cb 0.03 -0.52 -0.14 0.00 -1.46 0.00 0.00 42.92 40.83 1i4y s ASP 38 CO 0.75 -0.23 1.92 -0.67 0.52 0.00 0.00 175.17 177.46 1i4y n ASP 39 N 3.30 2.68 -4.32 -0.34 4.64 -0.95 -4.46 116.55 117.10 1i4y n ASP 39 Ca 0.21 -2.68 -0.28 0.00 -1.38 0.00 0.00 54.79 50.66 1i4y n ASP 39 Cb 0.42 -1.36 -0.06 0.00 -1.04 0.00 0.00 41.12 39.08 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 10.68 3.20 -0.12 1.67 2.04 -1.26 -5.04 115.26 126.44 1i4y n ASN 40 Ca 0.47 -2.92 -0.10 0.00 -0.44 0.00 0.00 54.58 51.60 1i4y n ASN 40 Cb 0.43 0.30 0.05 0.00 -2.53 0.00 0.00 39.78 38.03 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 1.21 0.78 -0.23 -2.53 0.00 -1.99 -2.19 119.26 114.30 1i4y h ALA 41 Ca -0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1i4y h ALA 41 Cb 1.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1i4y h ALA 41 CO 0.60 0.66 0.06 -0.44 0.00 0.00 0.00 179.25 180.13 1i4y h ASP 42 N 0.75 0.35 0.16 0.00 3.32 -1.97 -0.82 116.42 118.21 1i4y h ASP 42 Ca 0.10 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 1i4y h ASP 42 Cb 0.79 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1i4y h ASP 42 CO 0.07 0.48 -0.39 0.78 -1.72 0.00 0.00 179.24 178.46 1i4y h ASN 43 N 0.20 0.32 0.29 6.45 2.35 -1.84 -1.27 115.58 122.08 1i4y h ASN 43 Ca 0.07 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.54 1i4y h ASN 43 Cb 0.27 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1i4y h ASN 43 CO -0.00 0.68 -0.62 0.25 -1.65 0.00 0.00 177.43 176.09 1i4y h LEU 44 N 0.26 0.36 -0.55 1.61 5.85 -1.32 -2.73 115.31 118.79 1i4y h LEU 44 Ca 0.03 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 1i4y h LEU 44 Cb 0.81 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1i4y h LEU 44 CO 0.06 0.89 -0.28 1.23 -0.34 0.00 0.00 178.44 180.00 1i4y h GLY 45 N 1.38 0.94 0.93 3.75 0.00 -0.72 0.14 103.07 109.48 1i4y h GLY 45 Ca -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.42 1i4y h GLY 45 CO 0.10 0.78 -0.37 -2.09 0.00 0.00 0.00 176.54 174.96 1i4y h GLU 46 N 0.73 -1.00 -0.66 4.80 4.57 -1.17 -0.25 114.58 121.59 1i4y h GLU 46 Ca 0.08 0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.43 1i4y h GLU 46 Cb 0.84 0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 29.58 1i4y h GLU 46 CO 0.07 -0.66 0.29 1.25 -1.18 0.00 0.00 179.01 178.79 1i4y h LEU 47 N -1.13 0.34 -0.59 1.64 5.85 -1.47 -1.35 115.31 118.60 1i4y h LEU 47 Ca -0.11 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1i4y h LEU 47 Cb 0.81 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1i4y h LEU 47 CO 0.18 0.20 0.37 -0.09 -0.34 0.00 0.00 178.44 178.75 1i4y h ARG 48 N 0.50 0.72 0.23 1.25 9.65 -0.61 0.31 114.38 126.44 1i4y h ARG 48 Ca 0.33 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.16 1i4y h ARG 48 Cb 0.38 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1i4y h ARG 48 CO -0.29 0.48 -0.11 -0.09 2.80 0.00 0.00 179.97 182.76 1i4y h ARG 49 N 0.74 -0.29 -0.40 0.20 2.43 -0.06 0.92 114.38 117.92 1i4y h ARG 49 Ca 0.23 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1i4y h ARG 49 Cb -0.01 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1i4y h ARG 49 CO -0.09 -0.14 0.07 0.00 -1.51 0.00 0.00 179.97 178.30 1i4y h THR 51 N 0.59 1.36 -0.85 0.00 2.02 -0.19 0.14 112.91 115.98 1i4y h THR 51 Ca 0.13 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1i4y h THR 51 Cb 0.27 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 1i4y h THR 51 CO 0.00 0.31 0.50 1.23 0.37 0.00 0.00 175.52 177.93 1i4y h GLY 52 N -0.34 1.25 0.66 2.16 0.00 -0.72 -0.49 103.07 105.59 1i4y h GLY 52 Ca 0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 1i4y h GLY 52 CO 0.01 0.51 -0.18 1.70 0.00 0.00 0.00 176.54 178.58 1i4y h LYS 53 N 1.18 0.28 -0.52 4.80 3.11 -1.28 -2.40 116.57 121.75 1i4y h LYS 53 Ca 0.30 -0.18 -0.01 0.00 -2.81 0.00 0.00 60.65 57.95 1i4y h LYS 53 Cb -0.02 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1i4y h LYS 53 CO -0.05 0.77 0.28 1.25 -2.81 0.00 0.00 179.45 178.89 1i4y h HIS 54 N -0.17 0.71 -0.81 1.91 2.76 -0.52 -0.35 115.15 118.68 1i4y h HIS 54 Ca 0.00 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1i4y h HIS 54 Cb 0.76 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.46 1i4y h HIS 54 CO 0.11 0.53 0.36 0.74 -1.30 0.00 0.00 177.93 178.36 1i4y h PHE 55 N 0.69 1.20 -0.05 5.26 0.04 -1.13 0.19 116.94 123.13 1i4y h PHE 55 Ca 0.18 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1i4y h PHE 55 Cb 0.05 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.84 1i4y h PHE 55 CO -0.02 0.88 -0.03 1.25 -0.60 0.00 0.00 178.31 179.80 1i4y h LEU 56 N 1.17 0.11 -0.64 1.54 5.85 -1.20 -0.76 115.31 121.39 1i4y h LEU 56 Ca 0.28 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1i4y h LEU 56 Cb 0.16 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1i4y h LEU 56 CO -0.03 0.52 0.40 0.78 -0.34 0.00 0.00 178.44 179.77 1i4y h ASN 57 N -0.29 0.65 -0.50 1.25 -0.26 -0.84 0.11 115.58 115.71 1i4y h ASN 57 Ca 0.01 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.68 1i4y h ASN 57 Cb 0.48 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 1i4y h ASN 57 CO 0.01 0.45 0.05 -0.08 -1.06 0.00 0.00 177.43 176.80 1i4y h GLU 58 N 0.78 0.90 -0.67 0.81 4.81 -0.61 -1.40 114.58 119.20 1i4y h GLU 58 Ca 0.26 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1i4y h GLU 58 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1i4y h GLU 58 CO -0.10 0.87 0.12 1.96 -0.73 0.00 0.00 179.01 181.13 1i4y h GLN 59 N 0.85 1.11 -0.35 1.92 4.20 -0.29 -0.99 115.11 121.56 1i4y h GLN 59 Ca 0.17 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1i4y h GLN 59 Cb 0.43 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1i4y h GLN 59 CO 0.02 1.01 0.18 0.28 -0.67 0.00 0.00 178.83 179.64 1i4y h VAL 60 N 1.03 1.15 -0.66 -0.54 2.07 -0.26 0.07 116.25 119.11 1i4y h VAL 60 Ca 0.21 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1i4y h VAL 60 Cb 0.43 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1i4y h VAL 60 CO 0.01 0.15 0.24 0.25 0.02 0.00 0.00 177.57 178.25 1i4y h LEU 61 N 0.43 0.90 -0.60 2.57 5.85 -1.08 -0.10 115.31 123.28 1i4y h LEU 61 Ca 0.12 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1i4y h LEU 61 Cb 0.08 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1i4y h LEU 61 CO -0.02 0.81 0.17 0.24 -0.34 0.00 0.00 178.44 179.31 1i4y h MET 62 N 0.95 0.94 0.00 1.25 2.86 -0.74 -2.59 114.93 117.60 1i4y h MET 62 Ca 0.22 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1i4y h MET 62 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1i4y h MET 62 CO -0.02 0.85 -0.34 1.96 1.06 0.00 0.00 176.91 180.42 1i4y h GLN 63 N 0.85 0.00 -0.15 1.72 4.20 -0.44 0.78 115.11 122.07 1i4y h GLN 63 Ca 0.19 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.94 1i4y h GLN 63 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1i4y h GLN 63 CO -0.00 0.34 0.14 0.00 -0.67 0.00 0.00 178.83 178.63 1i4y h ALA 64 N 1.66 1.91 0.00 3.87 0.00 -0.61 -0.96 119.26 125.14 1i4y h ALA 64 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i4y h ALA 64 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1i4y h ALA 64 CO 0.04 -0.22 -0.04 0.43 0.00 0.00 0.00 179.25 179.47 1i4y n SER 65 N -4.09 2.14 -4.08 0.00 7.64 -1.11 -4.99 113.62 109.13 1i4y n SER 65 Ca 0.01 -2.95 -0.30 0.00 1.01 0.00 0.00 58.87 56.64 1i4y n SER 65 Cb 0.26 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.28 -1.99 -1.59 1.43 6.02 -0.37 -4.75 117.38 114.85 1i4y n GLN 66 Ca 0.14 0.26 -0.59 0.00 -0.01 0.00 0.00 57.00 56.80 1i4y n GLN 66 Cb 0.63 -3.96 -0.08 0.00 1.02 0.00 0.00 30.24 27.85 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 -4.52 1.18 -0.31 1.08 -0.00 0.23 -4.85 117.16 109.98 1i4y n TYR 67 Ca -0.28 0.93 0.09 0.00 -0.00 0.00 0.00 57.90 58.63 1i4y n TYR 67 Cb 0.67 -2.21 0.30 0.00 -0.00 0.00 0.00 39.34 38.11 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 4.12 0.84 -0.86 2.98 4.15 -1.90 -2.76 115.11 121.68 1i4y h GLN 68 Ca -0.49 -0.05 -0.58 0.00 0.77 0.00 0.00 58.65 58.31 1i4y h GLN 68 Cb 1.39 -0.19 -0.32 0.00 0.21 0.00 0.00 27.48 28.57 1i4y h GLN 68 CO 0.77 0.55 0.26 1.19 -1.93 0.00 0.00 178.83 179.67 1i4y n PHE 69 N -4.57 2.87 0.10 3.99 3.01 -1.26 -4.70 117.46 116.89 1i4y n PHE 69 Ca 0.17 -2.56 -0.13 0.00 1.01 0.00 0.00 57.45 55.94 1i4y n PHE 69 Cb 0.37 -0.99 -0.08 0.00 -0.01 0.00 0.00 39.48 38.77 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 1.88 -0.19 -0.34 1.38 5.03 -1.86 -2.71 116.97 120.15 1i4y h TYR 70 Ca 0.50 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.88 1i4y h TYR 70 Cb 1.27 0.06 -0.08 0.00 1.55 0.00 0.00 36.73 39.54 1i4y h TYR 70 CO 1.24 0.03 -0.17 -0.44 -1.32 0.00 0.00 178.16 177.50 1i4y h ASP 71 N -0.40 -0.58 -0.43 -2.11 3.32 -1.86 0.16 116.42 114.51 1i4y h ASP 71 Ca -0.02 0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1i4y h ASP 71 Cb 0.31 0.32 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1i4y h ASP 71 CO 0.03 -0.21 0.07 -0.08 -1.72 0.00 0.00 179.24 177.34 1i4y h GLU 72 N -0.12 0.79 -0.33 3.56 4.57 -1.94 -2.23 114.58 118.89 1i4y h GLU 72 Ca 0.17 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1i4y h GLU 72 Cb 0.38 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1i4y h GLU 72 CO -0.42 0.75 0.12 1.25 -1.18 0.00 0.00 179.01 179.54 1i4y h HIS 73 N 0.75 0.51 -0.80 0.92 2.76 -0.80 -2.64 115.15 115.85 1i4y h HIS 73 Ca 0.16 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1i4y h HIS 73 Cb 0.36 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 1i4y h HIS 73 CO 0.02 0.49 0.53 -0.22 -1.30 0.00 0.00 177.93 177.45 1i4y h LYS 74 N 0.38 1.04 -0.65 5.26 3.64 -0.51 -1.73 116.57 124.00 1i4y h LYS 74 Ca 0.11 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1i4y h LYS 74 Cb 0.20 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1i4y h LYS 74 CO -0.01 0.69 0.30 0.87 -2.27 0.00 0.00 179.45 179.03 1i4y h LYS 75 N 1.07 0.93 -0.44 1.90 1.79 -1.12 -0.67 116.57 120.03 1i4y h LYS 75 Ca 0.30 -0.13 -0.06 0.00 -2.18 0.00 0.00 60.65 58.58 1i4y h LYS 75 Cb -0.09 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.37 1i4y h LYS 75 CO -0.07 0.73 0.05 0.93 -1.08 0.00 0.00 179.45 180.00 1i4y h GLU 76 N 0.92 0.74 -0.35 3.15 4.39 -0.99 -2.41 114.58 120.03 1i4y h GLU 76 Ca 0.22 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1i4y h GLU 76 Cb 0.12 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1i4y h GLU 76 CO -0.03 0.79 0.20 0.45 -1.16 0.00 0.00 179.01 179.26 1i4y h HIS 77 N 0.59 0.37 -0.71 4.33 3.86 -0.80 -2.53 115.15 120.27 1i4y h HIS 77 Ca 0.13 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 1i4y h HIS 77 Cb 0.42 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1i4y h HIS 77 CO 0.03 0.22 0.47 0.93 0.86 0.00 0.00 177.93 180.44 1i4y h GLU 78 N 0.41 0.79 -0.65 2.45 5.08 -0.97 -1.71 114.58 119.99 1i4y h GLU 78 Ca 0.14 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1i4y h GLU 78 Cb 0.01 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1i4y h GLU 78 CO -0.07 0.52 0.12 1.79 -1.00 0.00 0.00 179.01 180.37 1i4y h THR 79 N 0.82 1.26 -0.14 1.13 1.35 -1.02 -0.04 112.91 116.26 1i4y h THR 79 Ca 0.29 -1.01 -0.17 0.00 -0.55 0.00 0.00 66.41 64.97 1i4y h THR 79 Cb 0.14 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1i4y h THR 79 CO -0.09 0.38 -0.63 0.15 -0.25 0.00 0.00 175.52 175.08 1i4y h PHE 80 N 0.98 0.68 -0.32 4.73 3.57 -1.12 -2.17 116.94 123.29 1i4y h PHE 80 Ca 0.20 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 1i4y h PHE 80 Cb 0.42 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1i4y h PHE 80 CO 0.03 1.01 0.04 0.82 -2.23 0.00 0.00 178.31 177.98 1i4y h ILE 81 N 0.38 1.24 -0.82 1.41 1.08 -1.19 -2.01 117.51 117.61 1i4y h ILE 81 Ca -0.01 -0.86 0.04 0.00 -0.39 0.00 0.00 64.86 63.64 1i4y h ILE 81 Cb 1.19 1.19 -0.05 0.00 -3.07 0.00 0.00 36.82 36.09 1i4y h ILE 81 CO 0.12 0.28 0.54 -0.74 -0.69 0.00 0.00 178.15 177.65 1i4y h HIS 82 N 0.35 0.97 -0.34 1.37 2.76 -0.93 0.07 115.15 119.40 1i4y h HIS 82 Ca 0.09 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.16 1i4y h HIS 82 Cb 0.38 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1i4y h HIS 82 CO 0.03 0.56 -0.30 0.00 -1.30 0.00 0.00 177.93 176.91 1i4y h ALA 83 N 1.53 0.83 -0.02 5.26 0.00 -1.18 -2.17 119.26 123.51 1i4y h ALA 83 Ca 0.33 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1i4y h ALA 83 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1i4y h ALA 83 CO -0.10 0.64 -0.62 -0.07 0.00 0.00 0.00 179.25 179.10 1i4y h LEU 84 N 0.61 0.07 -0.29 0.00 3.38 -0.52 -2.17 115.31 116.40 1i4y h LEU 84 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i4y h LEU 84 Cb 0.82 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1i4y h LEU 84 CO 0.07 0.68 -0.11 0.47 0.09 0.00 0.00 178.44 179.63 1i4y n ASP 85 N -3.82 0.56 -2.71 -0.43 10.43 -0.09 -3.57 116.55 116.92 1i4y n ASP 85 Ca -0.02 -0.68 -0.10 0.00 2.57 0.00 0.00 54.79 56.56 1i4y n ASP 85 Cb 0.62 -0.05 0.02 0.00 1.84 0.00 0.00 41.12 43.56 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 -0.86 1.37 -4.67 -2.24 3.02 -0.84 -5.07 115.26 105.98 1i4y n ASN 86 Ca 0.15 -2.74 -0.42 0.00 -0.03 0.00 0.00 54.58 51.54 1i4y n ASN 86 Cb 0.28 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 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 -3.04 2.00 -0.53 3.10 -0.00 -0.83 -4.83 118.94 114.81 1i4y s TRP 87 Ca 0.28 0.09 0.12 0.00 -0.00 0.00 0.00 56.10 56.59 1i4y s TRP 87 Cb 0.45 -4.02 0.36 0.00 -0.00 0.00 0.00 33.47 30.26 1i4y s TRP 87 CO 0.03 -4.28 1.29 0.36 -0.00 0.00 0.00 176.95 174.35 1i4y n LYS 88 N 6.58 2.82 -0.96 5.86 -0.00 -1.26 -4.99 118.16 126.21 1i4y n LYS 88 Ca 0.17 -2.32 0.00 0.00 -0.00 0.00 0.00 58.31 56.16 1i4y n LYS 88 Cb 0.41 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 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 -0.05 0.49 3.43 2.58 0.00 -1.26 -4.99 105.19 105.39 1i4y n GLY 89 Ca 0.14 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 0.46 4.93 -0.33 1.61 4.64 -1.26 -4.78 116.55 121.82 1i4y n ASP 90 Ca 0.00 -2.94 -0.04 0.00 -1.38 0.00 0.00 54.79 50.43 1i4y n ASP 90 Cb 0.00 -1.68 0.08 0.00 -1.04 0.00 0.00 41.12 38.49 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 5.05 1.25 -0.82 5.18 3.04 -1.94 -2.49 116.25 125.53 1i4y h VAL 91 Ca 0.42 -0.55 0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1i4y h VAL 91 Cb 0.83 0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.09 1i4y h VAL 91 CO 1.45 0.26 0.54 0.11 -1.01 0.00 0.00 177.57 178.92 1i4y h LYS 92 N 1.21 1.07 -0.49 4.17 1.57 -2.00 0.05 116.57 122.15 1i4y h LYS 92 Ca 0.31 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1i4y h LYS 92 Cb -0.04 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 1i4y h LYS 92 CO -0.06 0.71 0.14 2.35 -0.57 0.00 0.00 179.45 182.02 1i4y h TRP 93 N 1.10 0.80 -0.75 -1.35 7.01 -1.87 -2.01 115.95 118.88 1i4y h TRP 93 Ca 0.30 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 1i4y h TRP 93 Cb -0.12 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 1i4y h TRP 93 CO -0.02 0.71 0.29 0.00 -2.79 0.00 0.00 178.44 176.64 1i4y h ALA 94 N 1.00 0.97 -0.41 2.65 0.00 -1.01 0.12 119.26 122.57 1i4y h ALA 94 Ca 0.16 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1i4y h ALA 94 Cb 0.30 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1i4y h ALA 94 CO -0.00 0.60 0.21 0.87 0.00 0.00 0.00 179.25 180.93 1i4y h LYS 95 N 1.08 0.41 0.00 0.00 1.57 -0.75 -1.32 116.57 117.56 1i4y h LYS 95 Ca 0.25 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1i4y h LYS 95 Cb 0.22 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1i4y h LYS 95 CO -0.02 0.27 -0.67 0.66 -0.57 0.00 0.00 179.45 179.12 1i4y h SER 96 N 0.42 0.00 -0.25 0.86 4.64 -1.21 -2.85 113.55 115.16 1i4y h SER 96 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1i4y h SER 96 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1i4y h SER 96 CO -0.12 0.67 0.02 -0.25 -0.87 0.00 0.00 176.83 176.28 1i4y h TRP 97 N 0.00 0.45 0.02 4.77 7.01 -0.25 -1.77 115.95 126.18 1i4y h TRP 97 Ca -0.01 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 60.92 1i4y h TRP 97 Cb 1.30 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1i4y h TRP 97 CO 0.00 0.56 -0.01 1.25 -2.79 0.00 0.00 178.44 177.45 1i4y h LEU 98 N 0.21 -0.02 -0.31 0.65 5.85 -1.30 0.68 115.31 121.07 1i4y h LEU 98 Ca 0.07 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1i4y h LEU 98 Cb 0.36 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1i4y h LEU 98 CO 0.01 0.23 -0.13 0.58 -0.34 0.00 0.00 178.44 178.79 1i4y h VAL 99 N -0.27 0.58 -0.16 1.05 2.07 -1.52 -1.84 116.25 116.15 1i4y h VAL 99 Ca -0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 1i4y h VAL 99 Cb 0.26 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1i4y h VAL 99 CO 0.00 0.00 -0.44 0.78 0.02 0.00 0.00 177.57 177.94 1i4y h ASN 100 N -0.08 0.40 -0.11 0.57 4.21 -1.26 -2.56 115.58 116.76 1i4y h ASN 100 Ca 0.16 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.49 1i4y h ASN 100 Cb 0.32 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1i4y h ASN 100 CO -0.36 0.79 0.06 -0.74 -1.29 0.00 0.00 177.43 175.88 1i4y h HIS 101 N 0.31 0.16 0.40 1.19 2.76 -0.31 -0.56 115.15 119.09 1i4y h HIS 101 Ca 0.02 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1i4y h HIS 101 Cb 0.90 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.81 1i4y h HIS 101 CO 0.02 0.21 -0.19 0.82 -1.30 0.00 0.00 177.93 177.49 1i4y h ILE 102 N 0.07 0.61 0.00 6.26 2.04 -1.33 0.23 117.51 125.38 1i4y h ILE 102 Ca 0.04 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1i4y h ILE 102 Cb 0.11 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1i4y h ILE 102 CO -0.01 0.05 -0.24 0.11 0.00 0.00 0.00 178.15 178.06 1i4y h LYS 103 N -0.67 0.00 0.00 2.37 1.57 -1.46 0.42 116.57 118.80 1i4y h LYS 103 Ca -0.05 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 1i4y h LYS 103 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1i4y h LYS 103 CO 0.09 0.24 -1.67 0.25 -0.57 0.00 0.00 179.45 177.78 1i4y n THR 104 N -3.67 0.67 -0.13 -0.16 -2.24 -0.22 -4.48 114.28 104.05 1i4y n THR 104 Ca -0.01 -0.35 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 1i4y n THR 104 Cb 0.36 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.66 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 -2.56 1.53 -0.15 2.28 2.08 0.55 -4.22 119.36 118.88 1i4y n ILE 105 Ca -0.18 -0.39 -0.10 0.00 0.56 0.00 0.00 62.75 62.63 1i4y n ILE 105 Cb 0.78 -1.80 -0.01 0.00 -0.75 0.00 0.00 39.64 37.86 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 -0.76 0.74 -0.03 4.38 3.32 -0.51 -2.60 116.42 120.97 1i4y h ASP 106 Ca -0.63 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.12 1i4y h ASP 106 Cb 1.66 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 41.01 1i4y h ASP 106 CO -0.32 0.86 0.18 -0.26 -1.72 0.00 0.00 179.24 177.98 1i4y h PHE 107 N 0.59 0.00 0.00 4.55 0.05 -1.14 -0.64 116.94 120.35 1i4y h PHE 107 Ca 0.12 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.86 1i4y h PHE 107 Cb 0.48 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.43 1i4y h PHE 107 CO 0.04 0.00 -0.22 0.87 -0.18 0.00 0.00 178.31 178.81 1i4y h LYS 108 N 0.00 0.00 -0.01 1.51 1.57 -1.63 -2.81 116.57 115.20 1i4y h LYS 108 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1i4y h LYS 108 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1i4y h LYS 108 CO -0.00 0.22 -0.01 2.48 -0.57 0.00 0.00 179.45 181.57 1i4y n TYR 109 N -3.91 0.00 -1.68 -1.35 0.18 -0.25 -4.87 117.16 105.28 1i4y n TYR 109 Ca -0.02 0.00 -0.49 0.00 1.88 0.00 0.00 57.90 59.27 1i4y n TYR 109 Cb 0.31 -0.01 -0.05 0.00 -0.38 0.00 0.00 39.34 39.21 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 -0.18 2.03 -0.98 -3.48 5.02 -1.06 -0.49 118.16 119.02 1i4y n LYS 110 Ca 0.20 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 1i4y n LYS 110 Cb 0.29 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 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 4.27 0.70 0.14 0.72 0.00 -1.26 -4.86 105.19 104.90 1i4y n GLY 111 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.33 2.76 0.00 1.61 5.02 0.36 -5.26 118.16 120.32 1i4y n LYS 112 Ca 0.00 -0.41 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 1i4y n LYS 112 Cb 0.02 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1i4y n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32