#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4z s PHE 2 N 0.00 3.66 0.24 1.61 0.08 -1.26 -5.02 117.98 117.29 1i4z s PHE 2 Ca 0.00 1.65 -0.30 0.00 0.12 0.00 0.00 56.93 58.40 1i4z s PHE 2 Cb 0.00 -2.82 -0.10 0.00 -0.57 0.00 0.00 43.02 39.53 1i4z s PHE 2 CO 0.00 0.23 1.45 -1.25 -0.10 0.00 0.00 175.22 175.55 1i4z s PRO 3 N -2.09 4.26 -0.38 0.24 0.04 -1.26 -4.96 135.00 130.86 1i4z s PRO 3 Ca 0.49 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.54 1i4z s PRO 3 Cb -0.17 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1i4z s PRO 3 CO 0.22 -0.43 1.09 0.42 0.04 0.00 0.00 177.00 178.34 1i4z s ILE 4 N 0.09 4.40 0.71 0.56 -1.09 -1.26 -5.01 121.20 119.61 1i4z s ILE 4 Ca 0.60 1.52 -0.16 0.00 -2.23 0.00 0.00 60.65 60.37 1i4z s ILE 4 Cb -0.42 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 35.94 1i4z s ILE 4 CO 0.42 -0.68 0.57 -2.65 -1.23 0.00 0.00 174.94 171.38 1i4z n PRO 5 N 7.22 0.34 -3.39 2.79 -0.02 -1.26 -4.98 135.00 135.69 1i4z n PRO 5 Ca 0.12 0.16 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 1i4z n PRO 5 Cb 0.48 -1.86 -0.09 0.00 -0.02 0.00 0.00 33.50 32.01 1i4z n PRO 5 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1i4z s ASP 6 N -1.46 1.04 0.67 2.55 -1.08 -1.26 -3.31 116.67 113.82 1i4z s ASP 6 Ca 0.67 -0.34 -0.16 0.00 -0.52 0.00 0.00 52.55 52.20 1i4z s ASP 6 Cb -0.36 0.74 0.01 0.00 -1.46 0.00 0.00 42.92 41.85 1i4z s ASP 6 CO 0.57 -0.35 1.17 -2.16 0.52 0.00 0.00 175.17 174.92 1i4z s PRO 7 N 2.43 2.56 -1.03 4.34 0.04 -1.26 -5.02 135.00 137.07 1i4z s PRO 7 Ca 0.10 1.64 -0.25 0.00 0.04 0.00 0.00 61.00 62.53 1i4z s PRO 7 Cb -0.14 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 1i4z s PRO 7 CO -0.24 -1.48 2.06 -0.47 0.04 0.00 0.00 177.00 176.91 1i4z s TYR 8 N -2.03 1.60 0.13 0.56 6.14 -1.21 -4.83 117.35 117.71 1i4z s TYR 8 Ca 0.72 1.23 0.06 0.00 0.64 0.00 0.00 57.07 59.72 1i4z s TYR 8 Cb -0.26 -3.74 -0.04 0.00 0.42 0.00 0.00 41.96 38.34 1i4z s TYR 8 CO 0.41 -1.26 -0.13 0.08 0.64 0.00 0.00 175.55 175.29 1i4z s VAL 9 N 12.96 1.32 0.28 3.14 1.01 -1.26 -4.62 120.40 133.23 1i4z s VAL 9 Ca 0.76 -1.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 1i4z s VAL 9 Cb -0.05 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 1i4z s VAL 9 CO 0.10 -0.51 0.98 0.86 0.00 0.00 0.00 175.10 176.54 1i4z s TRP 10 N -2.47 3.78 0.08 5.22 -0.00 -1.26 -4.84 118.94 119.45 1i4z s TRP 10 Ca 0.12 1.82 0.03 0.00 -0.00 0.00 0.00 56.10 58.06 1i4z s TRP 10 Cb -0.03 -3.05 -0.03 0.00 -0.00 0.00 0.00 33.47 30.36 1i4z s TRP 10 CO 0.03 0.10 -0.08 0.16 -0.00 0.00 0.00 176.95 177.16 1i4z s ASP 11 N -1.23 1.15 0.58 5.86 1.47 -1.26 -5.06 116.67 118.17 1i4z s ASP 11 Ca 0.45 -0.79 0.38 0.00 1.18 0.00 0.00 52.55 53.77 1i4z s ASP 11 Cb -0.26 0.05 1.39 0.00 -0.34 0.00 0.00 42.92 43.76 1i4z s ASP 11 CO 0.32 -0.31 1.54 -0.65 0.68 0.00 0.00 175.17 176.75 1i4z h PRO 12 N 3.68 0.00 0.00 2.11 0.11 -2.01 -1.02 132.00 134.86 1i4z h PRO 12 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1i4z h PRO 12 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1i4z h PRO 12 CO 0.53 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 1i4z n SER 13 N -3.70 0.33 -0.61 -2.05 3.41 -1.26 -1.47 113.62 108.27 1i4z n SER 13 Ca 0.31 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.68 1i4z n SER 13 Cb 1.60 -0.68 0.29 0.00 -0.26 0.00 0.00 64.21 65.15 1i4z n SER 13 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1i4z n PHE 14 N -1.92 0.00 -1.72 7.33 3.01 -0.39 -4.98 117.46 118.79 1i4z n PHE 14 Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1i4z n PHE 14 Cb 0.06 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 1i4z n PHE 14 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1i4z n ARG 15 N 0.41 2.53 0.00 -1.08 1.74 -0.54 -4.87 116.66 114.86 1i4z n ARG 15 Ca 0.15 0.90 0.08 0.00 -0.77 0.00 0.00 57.85 58.22 1i4z n ARG 15 Cb 0.45 -2.67 -0.01 0.00 -1.02 0.00 0.00 32.46 29.21 1i4z n ARG 15 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1i4z n THR 16 N 2.54 0.00 -1.01 0.55 -2.24 -1.26 -4.96 114.28 107.90 1i4z n THR 16 Ca 0.11 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1i4z n THR 16 Cb 0.35 1.19 -0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1i4z n THR 16 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i4z n PHE 17 N -0.16 0.00 -3.84 4.78 3.72 -1.26 -4.80 117.46 115.90 1i4z n PHE 17 Ca 0.07 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.12 1i4z n PHE 17 Cb 0.36 -0.42 -0.12 0.00 -0.94 0.00 0.00 39.48 38.35 1i4z n PHE 17 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1i4z s TYR 18 N -1.83 3.61 0.28 1.38 2.02 -1.26 -5.02 117.35 116.53 1i4z s TYR 18 Ca 0.00 -2.62 -0.07 0.00 -0.37 0.00 0.00 57.07 54.01 1i4z s TYR 18 Cb 0.00 -3.13 0.50 0.00 -0.40 0.00 0.00 41.96 38.92 1i4z s TYR 18 CO 0.00 -0.95 1.57 0.77 -1.57 0.00 0.00 175.55 175.37 1i4z h SER 19 N 7.82 -0.82 0.38 2.29 0.02 -1.98 0.63 113.55 121.88 1i4z h SER 19 Ca -0.10 0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 1i4z h SER 19 Cb 1.03 0.58 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 1i4z h SER 19 CO 0.65 -0.33 -0.51 0.40 -1.14 0.00 0.00 176.83 175.90 1i4z h ILE 20 N 0.00 1.36 -0.24 3.27 1.08 -1.99 -0.60 117.51 120.39 1i4z h ILE 20 Ca 0.49 -1.77 -0.19 0.00 -0.39 0.00 0.00 64.86 63.00 1i4z h ILE 20 Cb 0.80 1.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.45 1i4z h ILE 20 CO -0.98 0.52 -0.59 0.40 -0.69 0.00 0.00 178.15 176.81 1i4z h ILE 21 N 0.12 1.28 -0.19 -0.67 2.04 -1.54 -2.35 117.51 116.20 1i4z h ILE 21 Ca 0.00 -1.78 -0.06 0.00 1.00 0.00 0.00 64.86 64.02 1i4z h ILE 21 Cb 0.95 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1i4z h ILE 21 CO 0.07 0.57 -0.16 0.44 0.00 0.00 0.00 178.15 179.08 1i4z h ASP 22 N 0.58 0.30 -0.24 1.72 3.32 -0.73 -1.23 116.42 120.15 1i4z h ASP 22 Ca -0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.82 1i4z h ASP 22 Cb 1.20 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1i4z h ASP 22 CO 0.13 0.49 -0.44 0.44 -1.72 0.00 0.00 179.24 178.13 1i4z h ASP 23 N 0.30 0.81 -0.53 6.45 3.45 -1.06 -2.21 116.42 123.63 1i4z h ASP 23 Ca 0.06 -0.53 -0.08 0.00 0.43 0.00 0.00 57.03 56.90 1i4z h ASP 23 Cb 0.46 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1i4z h ASP 23 CO 0.03 1.19 0.04 -0.33 -1.57 0.00 0.00 179.24 178.60 1i4z h GLU 24 N 0.46 0.95 -0.20 3.56 5.08 -1.04 -2.22 114.58 121.17 1i4z h GLU 24 Ca 0.01 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 1i4z h GLU 24 Cb 1.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1i4z h GLU 24 CO 0.10 0.91 -0.26 0.45 -1.00 0.00 0.00 179.01 179.21 1i4z h HIS 25 N 0.88 0.42 -0.55 4.33 3.86 -1.21 -0.89 115.15 121.99 1i4z h HIS 25 Ca 0.17 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1i4z h HIS 25 Cb 0.46 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1i4z h HIS 25 CO 0.03 0.61 0.16 0.87 0.86 0.00 0.00 177.93 180.46 1i4z h LYS 26 N 0.33 0.86 -0.07 2.45 1.57 -0.82 -1.75 116.57 119.14 1i4z h LYS 26 Ca 0.05 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1i4z h LYS 26 Cb 0.64 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1i4z h LYS 26 CO 0.05 0.79 -0.01 1.79 -0.57 0.00 0.00 179.45 181.50 1i4z h THR 27 N 0.77 1.28 -0.96 -0.16 1.35 -1.18 -2.90 112.91 111.10 1i4z h THR 27 Ca 0.18 -0.87 0.21 0.00 -0.55 0.00 0.00 66.41 65.37 1i4z h THR 27 Cb 0.29 1.72 -0.08 0.00 -1.73 0.00 0.00 68.15 68.35 1i4z h THR 27 CO -0.00 0.24 0.62 -0.07 -0.25 0.00 0.00 175.52 176.05 1i4z h LEU 28 N -0.19 0.54 -0.41 3.87 3.38 -1.05 0.18 115.31 121.63 1i4z h LEU 28 Ca 0.02 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1i4z h LEU 28 Cb 0.39 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1i4z h LEU 28 CO 0.01 0.19 0.11 -0.26 0.09 0.00 0.00 178.44 178.57 1i4z h PHE 29 N 0.52 0.69 -0.85 1.13 -1.00 -1.15 -3.01 116.94 113.26 1i4z h PHE 29 Ca 0.52 -0.08 0.05 0.00 2.81 0.00 0.00 57.97 61.27 1i4z h PHE 29 Cb 1.13 -0.20 -0.06 0.00 3.61 0.00 0.00 35.95 40.44 1i4z h PHE 29 CO -0.00 0.65 0.54 -0.97 -1.61 0.00 0.00 178.31 176.92 1i4z h ASN 30 N 0.53 0.88 -0.76 2.17 -1.24 -0.46 -1.74 115.58 114.95 1i4z h ASN 30 Ca 0.13 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1i4z h ASN 30 Cb 0.30 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.13 1i4z h ASN 30 CO 0.00 0.58 0.44 1.23 -1.29 0.00 0.00 177.43 178.39 1i4z h GLY 31 N 1.02 1.13 2.00 1.57 0.00 -1.29 -1.97 103.07 105.52 1i4z h GLY 31 Ca 0.36 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 1i4z h GLY 31 CO -0.14 0.47 -0.58 1.19 0.00 0.00 0.00 176.54 177.48 1i4z h ILE 32 N 1.07 1.02 -0.19 2.60 6.09 -1.43 -2.68 117.51 123.99 1i4z h ILE 32 Ca 0.27 -2.35 -0.01 0.00 -1.37 0.00 0.00 64.86 61.40 1i4z h ILE 32 Cb -0.00 2.44 -0.01 0.00 0.47 0.00 0.00 36.82 39.72 1i4z h ILE 32 CO -0.05 0.56 0.09 0.15 -3.07 0.00 0.00 178.15 175.84 1i4z h PHE 33 N 0.00 0.27 -0.03 2.19 3.57 -0.61 0.86 116.94 123.19 1i4z h PHE 33 Ca -0.01 -0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.26 1i4z h PHE 33 Cb 1.40 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 40.06 1i4z h PHE 33 CO 0.00 0.28 -0.92 0.45 -2.23 0.00 0.00 178.31 175.89 1i4z h HIS 34 N 0.18 0.73 -0.41 0.41 3.86 -1.46 -2.68 115.15 115.78 1i4z h HIS 34 Ca 0.06 -0.38 -0.03 0.00 -1.16 0.00 0.00 60.37 58.87 1i4z h HIS 34 Cb 0.11 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1i4z h HIS 34 CO -0.03 1.19 0.14 1.25 0.86 0.00 0.00 177.93 181.34 1i4z h LEU 35 N 0.30 0.53 -0.46 2.43 7.12 -1.41 0.55 115.31 124.38 1i4z h LEU 35 Ca -0.08 -0.06 -0.06 0.00 0.13 0.00 0.00 57.88 57.80 1i4z h LEU 35 Cb 1.54 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.52 1i4z h LEU 35 CO 0.17 0.51 0.04 0.00 -0.13 0.00 0.00 178.44 179.02 1i4z h ALA 36 N 1.57 0.61 -0.22 1.25 0.00 -0.66 -1.66 119.26 120.16 1i4z h ALA 36 Ca 0.14 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1i4z h ALA 36 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i4z h ALA 36 CO -0.01 0.37 -0.13 0.82 0.00 0.00 0.00 179.25 180.30 1i4z h ILE 37 N 0.64 1.31 -2.73 0.00 2.04 -1.04 -3.41 117.51 114.32 1i4z h ILE 37 Ca 0.13 -1.23 -0.49 0.00 1.00 0.00 0.00 64.86 64.28 1i4z h ILE 37 Cb 0.44 1.65 -0.39 0.00 -0.74 0.00 0.00 36.82 37.78 1i4z h ILE 37 CO 0.02 0.37 -0.75 -0.62 0.00 0.00 0.00 178.15 177.17 1i4z s ASP 38 N -6.17 3.06 0.00 1.72 -1.08 0.19 -5.03 116.67 109.35 1i4z s ASP 38 Ca -0.14 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 50.80 1i4z s ASP 38 Cb 0.07 -0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.33 1i4z s ASP 38 CO 0.77 -0.42 0.07 -0.67 0.52 0.00 0.00 175.17 175.44 1i4z n ASP 39 N 5.26 0.00 -4.54 -0.34 4.64 -0.64 -4.32 116.55 116.62 1i4z n ASP 39 Ca -0.06 -0.07 -0.36 0.00 -1.38 0.00 0.00 54.79 52.92 1i4z n ASP 39 Cb 0.44 0.00 0.07 0.00 -1.04 0.00 0.00 41.12 40.59 1i4z n ASP 39 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1i4z n ASN 40 N -0.53 -0.30 -0.12 1.67 6.94 -1.26 -4.69 115.26 116.97 1i4z n ASN 40 Ca 0.00 0.66 0.25 0.00 -0.02 0.00 0.00 54.58 55.48 1i4z n ASN 40 Cb 0.00 -1.30 0.71 0.00 -2.36 0.00 0.00 39.78 36.82 1i4z n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i4z h ALA 41 N -0.15 2.71 -0.03 -2.53 0.00 -1.99 -1.00 119.26 116.28 1i4z h ALA 41 Ca -0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1i4z h ALA 41 Cb 1.35 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1i4z h ALA 41 CO 0.46 -0.93 -0.01 -0.44 0.00 0.00 0.00 179.25 178.32 1i4z h ASP 42 N 0.01 0.06 -0.21 0.00 5.19 -1.94 0.16 116.42 119.69 1i4z h ASP 42 Ca 0.37 -0.41 -0.05 0.00 -0.62 0.00 0.00 57.03 56.32 1i4z h ASP 42 Cb 1.45 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.93 1i4z h ASP 42 CO -0.01 0.46 -0.02 0.78 -3.12 0.00 0.00 179.24 177.33 1i4z h ASN 43 N -0.34 0.47 0.06 6.45 2.35 -1.50 -0.54 115.58 122.52 1i4z h ASN 43 Ca 0.01 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1i4z h ASN 43 Cb 0.43 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1i4z h ASN 43 CO 0.00 0.55 -0.03 0.25 -1.65 0.00 0.00 177.43 176.55 1i4z h LEU 44 N 0.48 -0.07 -0.64 1.61 5.85 -1.19 -2.35 115.31 119.01 1i4z h LEU 44 Ca 0.10 -0.44 0.12 0.00 0.84 0.00 0.00 57.88 58.51 1i4z h LEU 44 Cb 0.34 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 1i4z h LEU 44 CO 0.01 0.42 0.14 1.23 -0.34 0.00 0.00 178.44 179.90 1i4z h GLY 45 N -0.58 0.83 0.95 3.75 0.00 -0.45 0.67 103.07 108.24 1i4z h GLY 45 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.30 1i4z h GLY 45 CO 0.01 -0.13 0.25 -2.09 0.00 0.00 0.00 176.54 174.59 1i4z h GLU 46 N 0.27 0.50 -0.45 4.80 4.57 -1.10 -0.41 114.58 122.76 1i4z h GLU 46 Ca 0.34 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.40 1i4z h GLU 46 Cb 0.52 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1i4z h GLU 46 CO -0.43 0.33 -0.05 1.25 -1.18 0.00 0.00 179.01 178.93 1i4z h LEU 47 N 0.52 0.83 -1.06 1.64 5.85 -0.53 -2.36 115.31 120.20 1i4z h LEU 47 Ca 0.16 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1i4z h LEU 47 Cb -0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1i4z h LEU 47 CO -0.06 0.97 0.33 -0.09 -0.34 0.00 0.00 178.44 179.25 1i4z h ARG 48 N 0.67 0.99 -0.30 1.25 9.65 0.58 0.39 114.38 127.61 1i4z h ARG 48 Ca 0.12 -0.14 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 1i4z h ARG 48 Cb 0.58 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1i4z h ARG 48 CO 0.03 0.77 -0.10 -0.09 2.80 0.00 0.00 179.97 183.38 1i4z h ARG 49 N 0.99 0.61 -0.52 0.20 2.43 -0.98 -0.42 114.38 116.68 1i4z h ARG 49 Ca 0.24 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1i4z h ARG 49 Cb 0.11 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1i4z h ARG 49 CO -0.03 0.81 -0.06 0.00 -1.51 0.00 0.00 179.97 179.19 1i4z h THR 51 N 0.85 1.35 -0.25 0.00 2.02 -0.23 -0.55 112.91 116.09 1i4z h THR 51 Ca 0.15 -2.28 -0.11 0.00 0.77 0.00 0.00 66.41 64.94 1i4z h THR 51 Cb 0.58 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1i4z h THR 51 CO 0.03 0.69 -0.31 1.23 0.37 0.00 0.00 175.52 177.54 1i4z h GLY 52 N 0.93 0.57 0.30 2.16 0.00 -0.98 -1.77 103.07 104.27 1i4z h GLY 52 Ca -0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1i4z h GLY 52 CO 0.17 0.46 -0.14 1.70 0.00 0.00 0.00 176.54 178.72 1i4z h LYS 53 N 0.45 -0.39 -0.72 4.80 3.64 -1.18 -2.88 116.57 120.29 1i4z h LYS 53 Ca 0.06 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1i4z h LYS 53 Cb 0.76 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.58 1i4z h LYS 53 CO 0.06 -0.26 0.25 1.25 -2.27 0.00 0.00 179.45 178.48 1i4z h HIS 54 N -0.66 0.42 -0.78 1.91 2.76 -1.16 -0.15 115.15 117.49 1i4z h HIS 54 Ca -0.04 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1i4z h HIS 54 Cb 0.31 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.14 1i4z h HIS 54 CO 0.06 0.03 0.49 0.74 -1.30 0.00 0.00 177.93 177.94 1i4z h PHE 55 N 0.39 0.91 0.20 5.26 -1.00 -1.41 0.85 116.94 122.14 1i4z h PHE 55 Ca 0.39 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.19 1i4z h PHE 55 Cb 0.59 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1i4z h PHE 55 CO -0.19 0.49 -0.10 1.25 -1.61 0.00 0.00 178.31 178.15 1i4z h LEU 56 N 0.92 -0.23 -0.20 1.54 5.85 -1.01 -0.22 115.31 121.97 1i4z h LEU 56 Ca 0.33 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1i4z h LEU 56 Cb 0.09 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1i4z h LEU 56 CO -0.14 0.14 -0.34 0.78 -0.34 0.00 0.00 178.44 178.54 1i4z h ASN 57 N -0.62 -1.07 -0.37 1.25 -0.26 -0.91 0.25 115.58 113.85 1i4z h ASN 57 Ca -0.03 0.16 0.04 0.00 -0.56 0.00 0.00 56.30 55.91 1i4z h ASN 57 Cb 0.45 0.46 -0.04 0.00 -1.06 0.00 0.00 38.32 38.14 1i4z h ASN 57 CO 0.04 -0.36 0.14 -0.08 -1.06 0.00 0.00 177.43 176.12 1i4z h GLU 58 N -0.37 0.30 -0.92 0.81 4.81 -0.84 -0.89 114.58 117.48 1i4z h GLU 58 Ca 0.11 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1i4z h GLU 58 Cb 0.55 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 1i4z h GLU 58 CO -0.40 0.20 0.59 1.96 -0.73 0.00 0.00 179.01 180.63 1i4z h GLN 59 N 0.31 0.98 -0.09 1.92 4.20 -0.21 -0.52 115.11 121.69 1i4z h GLN 59 Ca 0.16 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1i4z h GLN 59 Cb 0.12 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1i4z h GLN 59 CO -0.15 0.65 -0.21 0.28 -0.67 0.00 0.00 178.83 178.72 1i4z h VAL 60 N 1.01 1.20 -0.32 -0.54 2.07 0.71 0.19 116.25 120.57 1i4z h VAL 60 Ca 0.40 -0.92 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1i4z h VAL 60 Cb 0.26 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1i4z h VAL 60 CO -0.16 0.28 -0.31 -0.07 0.02 0.00 0.00 177.57 177.33 1i4z h LEU 61 N 0.15 0.82 -0.35 2.57 -0.00 0.14 -2.11 115.31 116.53 1i4z h LEU 61 Ca 0.03 -0.47 -0.09 0.00 -0.00 0.00 0.00 57.88 57.35 1i4z h LEU 61 Cb 0.46 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1i4z h LEU 61 CO 0.03 1.12 -0.12 0.24 -0.00 0.00 0.00 178.44 179.70 1i4z h MET 62 N 0.54 0.71 0.00 1.13 2.86 -0.83 -2.90 114.93 116.43 1i4z h MET 62 Ca 0.05 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1i4z h MET 62 Cb 0.88 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1i4z h MET 62 CO 0.08 0.89 0.00 1.96 1.06 0.00 0.00 176.91 180.89 1i4z h GLN 63 N 0.50 0.00 -0.28 1.72 4.20 -0.95 0.32 115.11 120.62 1i4z h GLN 63 Ca 0.08 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1i4z h GLN 63 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1i4z h GLN 63 CO 0.04 0.00 -0.05 0.00 -0.67 0.00 0.00 178.83 178.15 1i4z h ALA 64 N 2.03 0.39 -0.60 3.87 0.00 -1.16 -2.93 119.26 120.85 1i4z h ALA 64 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1i4z h ALA 64 Cb 0.47 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1i4z h ALA 64 CO 0.00 0.18 0.10 0.43 0.00 0.00 0.00 179.25 179.96 1i4z n SER 65 N -4.53 5.19 -3.97 0.00 7.64 -1.16 -4.94 113.62 111.85 1i4z n SER 65 Ca -0.03 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.46 1i4z n SER 65 Cb 0.30 -0.70 0.02 0.00 -1.01 0.00 0.00 64.21 62.82 1i4z n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i4z n GLN 66 N 0.33 -0.55 -1.63 1.43 6.02 -0.99 -4.79 117.38 117.20 1i4z n GLN 66 Ca 0.31 0.23 -0.46 0.00 -0.01 0.00 0.00 57.00 57.06 1i4z n GLN 66 Cb 1.22 -2.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.65 1i4z n GLN 66 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1i4z n TYR 67 N -4.62 1.81 -0.10 1.08 -0.00 0.11 -4.91 117.16 110.53 1i4z n TYR 67 Ca -0.13 0.53 -0.06 0.00 -0.00 0.00 0.00 57.90 58.24 1i4z n TYR 67 Cb 0.58 -2.38 0.12 0.00 -0.00 0.00 0.00 39.34 37.65 1i4z n TYR 67 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.86 177.23 1i4z h GLN 68 N 3.80 0.79 -0.90 2.98 4.15 -1.89 -3.24 115.11 120.79 1i4z h GLN 68 Ca -0.44 -0.27 -0.61 0.00 0.77 0.00 0.00 58.65 58.10 1i4z h GLN 68 Cb 1.30 -0.06 -0.32 0.00 0.21 0.00 0.00 27.48 28.62 1i4z h GLN 68 CO 0.73 0.88 0.40 1.19 -1.93 0.00 0.00 178.83 180.09 1i4z n PHE 69 N -4.15 3.00 0.06 3.99 3.01 -1.26 -4.72 117.46 117.38 1i4z n PHE 69 Ca 0.01 -2.68 -0.13 0.00 1.01 0.00 0.00 57.45 55.66 1i4z n PHE 69 Cb 0.38 -1.10 -0.08 0.00 -0.01 0.00 0.00 39.48 38.67 1i4z n PHE 69 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1i4z h TYR 70 N 1.92 -0.10 -0.90 1.38 5.03 -1.96 -2.96 116.97 119.38 1i4z h TYR 70 Ca 0.53 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.92 1i4z h TYR 70 Cb 1.17 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 39.42 1i4z h TYR 70 CO 1.29 0.08 0.59 -0.44 -1.32 0.00 0.00 178.16 178.36 1i4z h ASP 71 N -0.27 0.87 -0.23 -2.11 5.19 -1.89 0.17 116.42 118.15 1i4z h ASP 71 Ca -0.01 0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1i4z h ASP 71 Cb 0.23 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1i4z h ASP 71 CO 0.02 0.54 -0.21 1.05 -3.12 0.00 0.00 179.24 177.51 1i4z h GLU 72 N 0.98 0.55 -0.90 3.56 -0.00 -1.93 -2.15 114.58 114.68 1i4z h GLU 72 Ca 0.40 -0.28 -0.02 0.00 -0.00 0.00 0.00 59.36 59.46 1i4z h GLU 72 Cb 0.29 0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 29.00 1i4z h GLU 72 CO -0.16 0.87 0.50 1.25 -0.00 0.00 0.00 179.01 181.46 1i4z h HIS 73 N 0.24 1.23 0.13 2.06 2.76 -1.23 -2.35 115.15 117.99 1i4z h HIS 73 Ca 0.04 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1i4z h HIS 73 Cb 0.76 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1i4z h HIS 73 CO 0.08 0.84 -0.06 -0.22 -1.30 0.00 0.00 177.93 177.26 1i4z h LYS 74 N 1.25 -0.17 -1.01 5.26 3.64 -0.65 -2.00 116.57 122.88 1i4z h LYS 74 Ca 0.32 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.97 1i4z h LYS 74 Cb 0.01 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 1i4z h LYS 74 CO -0.05 0.06 0.67 0.87 -2.27 0.00 0.00 179.45 178.73 1i4z h LYS 75 N -0.39 0.31 0.61 1.90 1.57 -1.07 -0.23 116.57 119.27 1i4z h LYS 75 Ca -0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1i4z h LYS 75 Cb 0.31 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1i4z h LYS 75 CO 0.03 0.21 -0.29 0.93 -0.57 0.00 0.00 179.45 179.75 1i4z h GLU 76 N 0.32 -0.79 -0.87 3.15 4.39 -1.12 -2.80 114.58 116.86 1i4z h GLU 76 Ca 0.55 0.05 0.22 0.00 0.34 0.00 0.00 59.36 60.52 1i4z h GLU 76 Cb 1.53 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 30.23 1i4z h GLU 76 CO -0.21 -0.50 0.28 0.45 -1.16 0.00 0.00 179.01 177.87 1i4z h HIS 77 N -1.17 0.44 0.00 4.33 3.86 -0.41 0.58 115.15 122.78 1i4z h HIS 77 Ca -0.08 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1i4z h HIS 77 Cb 0.66 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1i4z h HIS 77 CO 0.00 -0.14 0.00 0.93 0.86 0.00 0.00 177.93 179.58 1i4z h GLU 78 N 0.28 0.00 0.24 2.45 5.08 -1.10 -1.70 114.58 119.82 1i4z h GLU 78 Ca 0.54 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.58 1i4z h GLU 78 Cb 1.05 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.34 1i4z h GLU 78 CO -0.60 0.00 -1.43 1.15 -1.00 0.00 0.00 179.01 177.14 1i4z h THR 79 N 0.00 1.29 0.05 1.13 2.02 0.45 -2.42 112.91 115.42 1i4z h THR 79 Ca 0.00 -2.67 -0.28 0.00 0.77 0.00 0.00 66.41 64.23 1i4z h THR 79 Cb 0.34 3.05 0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1i4z h THR 79 CO 0.00 0.80 -1.13 0.15 0.37 0.00 0.00 175.52 175.72 1i4z h PHE 80 N 0.09 1.01 -0.63 3.16 3.57 -1.35 -1.75 116.94 121.04 1i4z h PHE 80 Ca -0.25 -0.59 -0.03 0.00 3.53 0.00 0.00 57.97 60.63 1i4z h PHE 80 Cb 2.11 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 40.72 1i4z h PHE 80 CO 0.14 1.43 0.26 0.82 -2.23 0.00 0.00 178.31 178.72 1i4z h ILE 81 N 0.34 1.22 -0.37 1.41 1.08 -1.44 -0.22 117.51 119.53 1i4z h ILE 81 Ca -0.15 -0.68 -0.16 0.00 -0.39 0.00 0.00 64.86 63.48 1i4z h ILE 81 Cb 1.79 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1i4z h ILE 81 CO 0.22 0.27 -0.39 -0.74 -0.69 0.00 0.00 178.15 176.82 1i4z h HIS 82 N 0.90 1.08 -0.48 1.37 2.76 -1.42 -1.92 115.15 117.44 1i4z h HIS 82 Ca 0.21 -0.32 -0.05 0.00 -2.20 0.00 0.00 60.37 58.01 1i4z h HIS 82 Cb 0.17 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 1i4z h HIS 82 CO 0.01 1.14 0.09 0.00 -1.30 0.00 0.00 177.93 177.87 1i4z h ALA 83 N 0.81 1.25 -0.20 5.26 0.00 -0.68 -2.21 119.26 123.49 1i4z h ALA 83 Ca 0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1i4z h ALA 83 Cb 0.98 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1i4z h ALA 83 CO 0.09 0.51 -0.42 -0.07 0.00 0.00 0.00 179.25 179.37 1i4z h LEU 84 N 0.71 0.52 -0.03 0.00 4.07 -0.87 -2.42 115.31 117.29 1i4z h LEU 84 Ca 0.15 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1i4z h LEU 84 Cb 0.31 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1i4z h LEU 84 CO 0.00 0.88 0.00 0.44 -1.08 0.00 0.00 178.44 178.68 1i4z h ASP 85 N 0.40 0.00 -1.37 -0.43 3.45 -0.90 -3.18 116.42 114.40 1i4z h ASP 85 Ca 0.03 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.97 1i4z h ASP 85 Cb 0.91 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 39.26 1i4z h ASP 85 CO 0.08 0.00 -0.86 0.59 -1.57 0.00 0.00 179.24 177.48 1i4z n ASN 86 N -2.71 3.82 -4.68 6.45 3.02 -0.87 -5.08 115.26 115.22 1i4z n ASN 86 Ca 0.05 -3.44 -0.46 0.00 -0.03 0.00 0.00 54.58 50.69 1i4z n ASN 86 Cb 0.48 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1i4z n ASN 86 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1i4z n TRP 87 N -0.37 2.36 -0.04 3.10 -0.00 -0.92 -4.88 117.44 116.69 1i4z n TRP 87 Ca 0.31 0.08 0.05 0.00 -0.00 0.00 0.00 57.50 57.93 1i4z n TRP 87 Cb 0.71 -2.63 0.11 0.00 -0.00 0.00 0.00 31.31 29.50 1i4z n TRP 87 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1i4z n LYS 88 N 5.11 2.39 -0.83 5.87 -0.00 -1.26 -4.98 118.16 124.46 1i4z n LYS 88 Ca 0.19 -1.77 0.00 0.00 -0.00 0.00 0.00 58.31 56.73 1i4z n LYS 88 Cb 0.31 -1.21 0.00 0.00 -0.00 0.00 0.00 35.03 34.13 1i4z n LYS 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i4z n GLY 89 N 0.36 0.74 3.36 2.58 0.00 -1.26 -4.97 105.19 106.01 1i4z n GLY 89 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1i4z n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i4z n ASP 90 N 0.00 4.10 0.00 1.61 4.64 -1.26 -4.71 116.55 120.93 1i4z n ASP 90 Ca 0.00 -2.83 0.09 0.00 -1.38 0.00 0.00 54.79 50.66 1i4z n ASP 90 Cb 0.00 -1.67 0.40 0.00 -1.04 0.00 0.00 41.12 38.81 1i4z n ASP 90 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1i4z n VAL 91 N 6.40 0.70 -0.02 5.18 3.14 -1.26 -2.64 118.33 129.83 1i4z n VAL 91 Ca 0.49 0.18 -0.19 0.00 -2.96 0.00 0.00 64.34 61.85 1i4z n VAL 91 Cb 0.44 -0.87 -0.13 0.00 -1.06 0.00 0.00 33.84 32.22 1i4z n VAL 91 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1i4z h LYS 92 N 0.00 0.16 0.56 1.45 1.57 -2.00 -3.20 116.57 115.10 1i4z h LYS 92 Ca 0.00 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1i4z h LYS 92 Cb 0.27 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1i4z h LYS 92 CO 0.00 1.13 -0.43 2.35 -0.57 0.00 0.00 179.45 181.93 1i4z h TRP 93 N -0.60 -1.16 -0.93 -1.35 7.01 -1.93 -2.75 115.95 114.24 1i4z h TRP 93 Ca -0.19 -0.00 0.27 0.00 2.11 0.00 0.00 58.89 61.08 1i4z h TRP 93 Cb 1.47 0.43 -0.15 0.00 -2.10 0.00 0.00 29.16 28.81 1i4z h TRP 93 CO 0.18 -0.61 0.32 0.00 -2.79 0.00 0.00 178.44 175.54 1i4z h ALA 94 N -0.70 1.49 -0.61 2.65 0.00 -1.66 0.16 119.26 120.59 1i4z h ALA 94 Ca -0.06 0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1i4z h ALA 94 Cb 0.81 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1i4z h ALA 94 CO 0.01 -0.53 0.12 0.87 0.00 0.00 0.00 179.25 179.73 1i4z h LYS 95 N 0.21 0.99 0.05 0.00 1.57 -1.49 -2.02 116.57 115.89 1i4z h LYS 95 Ca 0.62 -0.25 -0.23 0.00 -1.87 0.00 0.00 60.65 58.91 1i4z h LYS 95 Cb 1.33 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1i4z h LYS 95 CO -0.67 0.92 -1.09 0.66 -0.57 0.00 0.00 179.45 178.70 1i4z h SER 96 N 0.90 0.17 -0.22 0.86 4.64 -0.69 -2.41 113.55 116.81 1i4z h SER 96 Ca 0.19 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1i4z h SER 96 Cb 0.39 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1i4z h SER 96 CO 0.01 1.13 0.11 -0.25 -0.87 0.00 0.00 176.83 176.96 1i4z h TRP 97 N 0.03 0.30 -0.15 4.77 7.01 -0.69 0.19 115.95 127.41 1i4z h TRP 97 Ca -0.06 -0.01 -0.14 0.00 2.11 0.00 0.00 58.89 60.79 1i4z h TRP 97 Cb 1.83 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.79 1i4z h TRP 97 CO 0.03 0.28 -0.52 -0.92 -2.79 0.00 0.00 178.44 174.52 1i4z h TYR 98 N 0.23 0.51 -0.10 2.65 3.20 -1.45 0.23 116.97 122.25 1i4z h TYR 98 Ca 0.08 -0.17 -0.10 0.00 3.14 0.00 0.00 58.73 61.67 1i4z h TYR 98 Cb 0.09 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1i4z h TYR 98 CO -0.03 0.85 -0.40 0.28 -1.64 0.00 0.00 178.16 177.22 1i4z h VAL 99 N 0.33 1.30 0.17 1.81 2.07 -1.02 -3.10 116.25 117.81 1i4z h VAL 99 Ca 0.01 -1.49 -0.27 0.00 0.82 0.00 0.00 66.70 65.77 1i4z h VAL 99 Cb 1.02 1.67 0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1i4z h VAL 99 CO 0.09 0.44 -1.27 0.78 0.02 0.00 0.00 177.57 177.64 1i4z h ASN 100 N 0.19 0.57 -0.73 0.57 2.35 -0.32 -3.21 115.58 115.00 1i4z h ASN 100 Ca 0.02 -0.92 0.15 0.00 -0.55 0.00 0.00 56.30 55.00 1i4z h ASN 100 Cb 0.79 -0.18 -0.10 0.00 0.05 0.00 0.00 38.32 38.88 1i4z h ASN 100 CO 0.06 1.59 0.22 -0.74 -1.65 0.00 0.00 177.43 176.91 1i4z h HIS 101 N -0.16 0.36 -0.11 1.19 2.76 -0.56 0.97 115.15 119.60 1i4z h HIS 101 Ca -0.24 0.04 -0.19 0.00 -2.20 0.00 0.00 60.37 57.78 1i4z h HIS 101 Cb 1.87 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 30.78 1i4z h HIS 101 CO 0.15 -0.03 -0.70 0.97 -1.30 0.00 0.00 177.93 177.02 1i4z h ILE 102 N 0.33 1.35 0.00 6.26 2.10 -1.69 0.28 117.51 126.14 1i4z h ILE 102 Ca 0.41 -2.04 0.00 0.00 1.08 0.00 0.00 64.86 64.31 1i4z h ILE 102 Cb 0.67 2.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.42 1i4z h ILE 102 CO -0.46 0.62 0.00 0.29 -1.08 0.00 0.00 178.15 177.52 1i4z n LYS 103 N -3.88 0.03 0.02 2.19 5.02 -0.11 -1.22 118.16 120.22 1i4z n LYS 103 Ca -0.05 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1i4z n LYS 103 Cb 0.69 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1i4z n LYS 103 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1i4z n THR 104 N -1.60 0.25 -0.01 -0.18 -2.24 0.15 -4.66 114.28 105.99 1i4z n THR 104 Ca 0.06 0.08 -0.17 0.00 -2.27 0.00 0.00 64.05 61.76 1i4z n THR 104 Cb 0.33 -1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 67.25 1i4z n THR 104 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1i4z h ILE 105 N 0.00 1.47 -0.15 2.28 1.08 -1.38 -3.18 117.51 117.63 1i4z h ILE 105 Ca 0.00 -2.02 -0.13 0.00 -0.39 0.00 0.00 64.86 62.32 1i4z h ILE 105 Cb 0.48 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1i4z h ILE 105 CO 0.00 0.58 -0.42 0.44 -0.69 0.00 0.00 178.15 178.05 1i4z h ASP 106 N -0.24 0.63 -0.37 1.72 5.19 -0.46 -3.16 116.42 119.73 1i4z h ASP 106 Ca -0.06 -0.59 0.11 0.00 -0.62 0.00 0.00 57.03 55.87 1i4z h ASP 106 Cb 1.20 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1i4z h ASP 106 CO 0.09 1.11 0.36 -0.26 -3.12 0.00 0.00 179.24 177.42 1i4z h PHE 107 N 0.19 0.00 0.00 4.55 0.05 -1.28 -1.43 116.94 119.01 1i4z h PHE 107 Ca -0.01 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.74 1i4z h PHE 107 Cb 1.04 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.99 1i4z h PHE 107 CO 0.10 0.00 -0.17 0.87 -0.18 0.00 0.00 178.31 178.93 1i4z h LYS 108 N 0.00 0.00 -0.09 1.51 1.79 -1.52 -2.12 116.57 116.14 1i4z h LYS 108 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1i4z h LYS 108 Cb 0.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1i4z h LYS 108 CO -0.00 0.17 0.00 2.48 -1.08 0.00 0.00 179.45 181.02 1i4z n TYR 109 N -4.11 0.10 -1.67 -1.35 0.18 -0.54 -4.89 117.16 104.88 1i4z n TYR 109 Ca -0.02 -0.05 -0.43 0.00 1.88 0.00 0.00 57.90 59.28 1i4z n TYR 109 Cb 0.24 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.17 1i4z n TYR 109 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1i4z n LYS 110 N 0.12 2.80 -0.80 -3.48 5.02 -0.80 -1.38 118.16 119.64 1i4z n LYS 110 Ca 0.18 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.49 1i4z n LYS 110 Cb 0.31 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.37 1i4z n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i4z n GLY 111 N 4.44 0.76 0.00 0.72 0.00 -1.26 -4.90 105.19 104.95 1i4z n GLY 111 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1i4z n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i4z n LYS 112 N -2.37 2.79 0.00 1.61 5.02 -0.48 -5.26 118.16 119.47 1i4z n LYS 112 Ca 0.00 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.85 1i4z n LYS 112 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1i4z n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32