#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 3.00 0.03 1.61 0.08 -1.26 -4.97 117.98 116.47 1i4z s PHE 2 Ca 0.00 0.85 -0.30 0.00 0.12 0.00 0.00 56.93 57.60 1i4z s PHE 2 Cb 0.00 -3.68 -0.05 0.00 -0.57 0.00 0.00 43.02 38.71 1i4z s PHE 2 CO 0.00 -2.48 1.25 -1.25 -0.10 0.00 0.00 175.22 172.65 1i4z s PRO 3 N 1.86 4.38 -0.61 0.24 0.04 -1.26 -4.97 135.00 134.68 1i4z s PRO 3 Ca 0.65 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 63.24 1i4z s PRO 3 Cb -0.34 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 30.81 1i4z s PRO 3 CO 0.28 -0.38 1.08 0.42 0.04 0.00 0.00 177.00 178.45 1i4z s ILE 4 N 1.57 4.14 0.23 0.56 -1.09 -1.26 -4.98 121.20 120.38 1i4z s ILE 4 Ca 0.60 0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 59.11 1i4z s ILE 4 Cb -0.29 -4.69 -0.15 0.00 -1.58 0.00 0.00 42.46 35.75 1i4z s ILE 4 CO 0.27 -1.37 1.13 -0.81 -1.23 0.00 0.00 174.94 172.93 1i4z n PRO 5 N 8.14 1.36 -3.69 2.79 -0.04 -1.26 -4.96 135.00 137.35 1i4z n PRO 5 Ca 0.03 0.48 -0.24 0.00 -0.04 0.00 0.00 63.50 63.73 1i4z n PRO 5 Cb 0.48 -1.94 -0.17 0.00 -0.04 0.00 0.00 33.50 31.82 1i4z n PRO 5 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1i4z s ASP 6 N -0.21 2.07 0.64 3.54 -1.08 -1.26 -2.76 116.67 117.61 1i4z s ASP 6 Ca 0.66 -0.41 -0.18 0.00 -0.52 0.00 0.00 52.55 52.11 1i4z s ASP 6 Cb -0.76 -0.35 -0.01 0.00 -1.46 0.00 0.00 42.92 40.34 1i4z s ASP 6 CO 0.55 -0.29 1.25 -2.16 0.52 0.00 0.00 175.17 175.05 1i4z s PRO 7 N 2.04 2.65 -1.15 4.34 0.04 -1.26 -5.05 135.00 136.62 1i4z s PRO 7 Ca 0.03 1.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 1i4z s PRO 7 Cb -0.15 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1i4z s PRO 7 CO -0.07 -1.49 1.91 0.98 0.04 0.00 0.00 177.00 178.38 1i4z n TYR 8 N -1.90 2.97 -4.43 0.56 4.19 -1.11 -4.86 117.16 112.56 1i4z n TYR 8 Ca 0.15 -1.81 -0.22 0.00 3.31 0.00 0.00 57.90 59.32 1i4z n TYR 8 Cb 0.49 -2.48 -0.10 0.00 0.49 0.00 0.00 39.34 37.74 1i4z n TYR 8 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 1i4z s VAL 9 N 8.62 2.17 0.40 2.97 1.01 -1.26 -4.49 120.40 129.82 1i4z s VAL 9 Ca 0.63 -2.31 -0.24 0.00 0.00 0.00 0.00 61.98 60.06 1i4z s VAL 9 Cb 0.03 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 1i4z s VAL 9 CO 0.12 -0.44 1.05 0.86 0.00 0.00 0.00 175.10 176.68 1i4z s TRP 10 N -2.70 3.25 0.06 5.22 -0.00 -1.26 -4.88 118.94 118.63 1i4z s TRP 10 Ca 0.28 1.64 -0.02 0.00 -0.00 0.00 0.00 56.10 57.99 1i4z s TRP 10 Cb -0.03 -3.12 -0.03 0.00 -0.00 0.00 0.00 33.47 30.30 1i4z s TRP 10 CO 0.12 -0.62 0.01 0.16 -0.00 0.00 0.00 176.95 176.62 1i4z s ASP 11 N -1.60 0.41 0.63 5.86 1.47 -1.26 -5.05 116.67 117.14 1i4z s ASP 11 Ca 0.58 -0.91 0.24 0.00 1.18 0.00 0.00 52.55 53.64 1i4z s ASP 11 Cb -0.21 0.22 1.20 0.00 -0.34 0.00 0.00 42.92 43.79 1i4z s ASP 11 CO 0.27 -0.61 1.67 -0.65 0.68 0.00 0.00 175.17 176.53 1i4z h PRO 12 N 3.14 0.00 0.00 2.11 0.11 -2.02 -1.13 132.00 134.21 1i4z h PRO 12 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1i4z h PRO 12 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1i4z h PRO 12 CO 0.63 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 1i4z n SER 13 N -3.12 0.00 -1.09 -2.05 3.41 -1.26 -2.46 113.62 107.06 1i4z n SER 13 Ca 0.05 -0.15 0.09 0.00 -0.26 0.00 0.00 58.87 58.60 1i4z n SER 13 Cb 0.73 -0.21 0.26 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.21 0.83 -1.97 7.33 3.01 -0.43 -5.01 117.46 120.02 1i4z n PHE 14 Ca 0.10 -0.52 -0.42 0.00 1.01 0.00 0.00 57.45 57.62 1i4z n PHE 14 Cb 0.13 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 1i4z n PHE 14 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1i4z s ARG 15 N -1.14 4.22 0.02 -1.08 0.52 -1.03 -4.87 118.95 115.59 1i4z s ARG 15 Ca 0.39 2.30 0.22 0.00 -0.52 0.00 0.00 55.73 58.12 1i4z s ARG 15 Cb 0.21 -3.34 -0.06 0.00 0.52 0.00 0.00 34.95 32.28 1i4z s ARG 15 CO 0.25 -0.63 0.94 0.25 0.02 0.00 0.00 175.30 176.13 1i4z n THR 16 N 4.26 0.07 -1.09 0.02 -2.24 -1.26 -4.94 114.28 109.10 1i4z n THR 16 Ca 0.14 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1i4z n THR 16 Cb 0.40 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.79 0.00 -3.89 4.78 3.72 -1.26 -4.76 117.46 114.26 1i4z n PHE 17 Ca 0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.09 1i4z n PHE 17 Cb 0.41 -0.91 -0.13 0.00 -0.94 0.00 0.00 39.48 37.91 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 -2.09 3.64 0.20 1.38 2.02 -1.26 -5.00 117.35 116.23 1i4z s TYR 18 Ca 0.00 -2.74 -0.15 0.00 -0.37 0.00 0.00 57.07 53.81 1i4z s TYR 18 Cb 0.00 -3.07 0.19 0.00 -0.40 0.00 0.00 41.96 38.68 1i4z s TYR 18 CO 0.00 -0.94 1.64 1.03 -1.57 0.00 0.00 175.55 175.70 1i4z h SER 19 N 7.72 -0.56 -0.03 2.29 0.87 -1.98 0.53 113.55 122.39 1i4z h SER 19 Ca -0.08 0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1i4z h SER 19 Cb 1.02 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1i4z h SER 19 CO 0.62 -0.20 -0.23 -0.29 -0.53 0.00 0.00 176.83 176.20 1i4z h ILE 20 N -0.02 1.26 -0.23 2.23 6.09 -1.99 0.21 117.51 125.06 1i4z h ILE 20 Ca 0.27 -1.20 -0.20 0.00 -1.37 0.00 0.00 64.86 62.35 1i4z h ILE 20 Cb 0.42 1.34 0.01 0.00 0.47 0.00 0.00 36.82 39.05 1i4z h ILE 20 CO -0.58 0.38 -0.65 0.40 -3.07 0.00 0.00 178.15 174.63 1i4z h ILE 21 N 0.39 1.28 -0.35 2.19 2.04 -1.81 -3.10 117.51 118.14 1i4z h ILE 21 Ca 0.06 -1.83 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 1i4z h ILE 21 Cb 0.62 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1i4z h ILE 21 CO 0.04 0.59 0.14 0.44 0.00 0.00 0.00 178.15 179.36 1i4z h ASP 22 N 0.60 0.49 -0.29 1.72 3.32 0.48 -2.03 116.42 120.72 1i4z h ASP 22 Ca -0.02 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1i4z h ASP 22 Cb 1.27 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1i4z h ASP 22 CO 0.14 0.53 0.19 0.44 -1.72 0.00 0.00 179.24 178.82 1i4z h ASP 23 N 0.43 0.23 1.48 6.45 3.45 -1.02 -1.53 116.42 125.90 1i4z h ASP 23 Ca 0.12 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.52 1i4z h ASP 23 Cb 0.19 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1i4z h ASP 23 CO -0.01 0.16 -0.28 -0.33 -1.57 0.00 0.00 179.24 177.21 1i4z h GLU 24 N 0.27 0.00 -0.00 3.56 5.08 -1.38 -3.09 114.58 119.03 1i4z h GLU 24 Ca 0.12 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.23 1i4z h GLU 24 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1i4z h GLU 24 CO -0.02 0.28 -0.99 0.45 -1.00 0.00 0.00 179.01 177.72 1i4z h HIS 25 N 0.00 0.86 -0.10 4.33 3.86 -0.58 -2.79 115.15 120.74 1i4z h HIS 25 Ca -0.00 -0.47 0.02 0.00 -1.16 0.00 0.00 60.37 58.76 1i4z h HIS 25 Cb 1.09 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 1i4z h HIS 25 CO 0.00 1.30 -0.02 0.87 0.86 0.00 0.00 177.93 180.94 1i4z h LYS 26 N 0.33 0.01 -0.74 2.45 1.57 -1.43 -1.28 116.57 117.47 1i4z h LYS 26 Ca -0.11 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1i4z h LYS 26 Cb 1.64 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.91 1i4z h LYS 26 CO 0.19 0.00 0.49 1.79 -0.57 0.00 0.00 179.45 181.35 1i4z h THR 27 N 0.01 1.19 -0.00 -0.16 1.35 -1.60 -2.45 112.91 111.25 1i4z h THR 27 Ca 0.05 -0.36 -0.14 0.00 -0.55 0.00 0.00 66.41 65.41 1i4z h THR 27 Cb 0.07 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.57 1i4z h THR 27 CO -0.10 0.19 -0.68 0.25 -0.25 0.00 0.00 175.52 174.93 1i4z h LEU 28 N 1.01 0.00 -0.37 3.87 6.46 -1.16 -2.84 115.31 122.28 1i4z h LEU 28 Ca 0.27 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.99 1i4z h LEU 28 Cb -0.11 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1i4z h LEU 28 CO -0.06 0.68 0.06 -0.26 -0.62 0.00 0.00 178.44 178.24 1i4z h PHE 29 N 0.00 0.65 0.00 1.25 -1.00 -0.80 -2.03 116.94 115.01 1i4z h PHE 29 Ca -0.01 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 1i4z h PHE 29 Cb 1.20 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 1i4z h PHE 29 CO 0.00 0.66 -0.08 -0.97 -1.61 0.00 0.00 178.31 176.30 1i4z h ASN 30 N 0.45 0.00 -0.09 2.17 -1.24 -1.40 0.21 115.58 115.69 1i4z h ASN 30 Ca 0.11 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.07 1i4z h ASN 30 Cb 0.36 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.41 1i4z h ASN 30 CO 0.01 0.08 -0.15 1.23 -1.29 0.00 0.00 177.43 177.31 1i4z h GLY 31 N 0.48 0.28 1.44 1.57 0.00 -1.13 -2.71 103.07 102.99 1i4z h GLY 31 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1i4z h GLY 31 CO 0.01 0.28 -0.21 -2.22 0.00 0.00 0.00 176.54 174.40 1i4z h ILE 32 N -0.20 1.27 -0.15 2.60 2.04 -1.04 -2.24 117.51 119.78 1i4z h ILE 32 Ca 0.01 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.64 1i4z h ILE 32 Cb 0.71 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 1i4z h ILE 32 CO 0.03 0.42 -0.35 0.15 0.00 0.00 0.00 178.15 178.40 1i4z h PHE 33 N 0.58 -0.97 -0.01 1.37 3.57 -0.46 -0.47 116.94 120.55 1i4z h PHE 33 Ca 0.09 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 1i4z h PHE 33 Cb 0.68 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1i4z h PHE 33 CO 0.03 -0.42 -0.68 0.45 -2.23 0.00 0.00 178.31 175.46 1i4z h HIS 34 N -0.41 0.06 -0.19 0.41 3.86 -1.50 -2.94 115.15 114.44 1i4z h HIS 34 Ca 0.10 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1i4z h HIS 34 Cb 0.57 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1i4z h HIS 34 CO -0.44 0.71 -0.04 1.25 0.86 0.00 0.00 177.93 180.27 1i4z h LEU 35 N 0.03 0.26 -0.31 2.43 7.12 -0.83 0.69 115.31 124.70 1i4z h LEU 35 Ca -0.01 -0.04 -0.11 0.00 0.13 0.00 0.00 57.88 57.85 1i4z h LEU 35 Cb 1.20 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.25 1i4z h LEU 35 CO 0.09 0.35 -0.51 0.00 -0.13 0.00 0.00 178.44 178.24 1i4z h ALA 36 N 1.69 0.74 0.15 1.25 0.00 -0.93 -2.82 119.26 119.34 1i4z h ALA 36 Ca 0.06 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 54.16 1i4z h ALA 36 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1i4z h ALA 36 CO 0.01 0.64 -1.84 0.82 0.00 0.00 0.00 179.25 178.87 1i4z h ILE 37 N 0.00 0.81 -2.61 0.00 2.04 -1.21 -3.45 117.51 113.09 1i4z h ILE 37 Ca -0.01 -2.47 -0.39 0.00 1.00 0.00 0.00 64.86 62.99 1i4z h ILE 37 Cb 1.26 2.64 -0.37 0.00 -0.74 0.00 0.00 36.82 39.61 1i4z h ILE 37 CO 0.07 0.86 -0.69 -0.62 0.00 0.00 0.00 178.15 177.77 1i4z s ASP 38 N -7.12 2.10 0.00 1.72 -1.08 0.23 -5.02 116.67 107.50 1i4z s ASP 38 Ca -0.18 -0.64 0.00 0.00 -0.52 0.00 0.00 52.55 51.22 1i4z s ASP 38 Cb 0.06 0.12 0.00 0.00 -1.46 0.00 0.00 42.92 41.64 1i4z s ASP 38 CO 0.82 -0.37 0.60 -0.67 0.52 0.00 0.00 175.17 176.07 1i4z n ASP 39 N 5.29 0.16 -3.33 -0.34 2.03 -1.07 -4.20 116.55 115.10 1i4z n ASP 39 Ca -0.05 -1.36 -0.23 0.00 0.52 0.00 0.00 54.79 53.67 1i4z n ASP 39 Cb 0.47 -0.08 0.23 0.00 -0.72 0.00 0.00 41.12 41.02 1i4z n ASP 39 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1i4z n ASN 40 N -0.35 -3.68 0.12 1.67 2.04 -1.26 -4.73 115.26 109.07 1i4z n ASN 40 Ca 0.00 -0.67 -0.03 0.00 -0.44 0.00 0.00 54.58 53.44 1i4z n ASN 40 Cb 0.04 -0.87 0.16 0.00 -2.53 0.00 0.00 39.78 36.58 1i4z n ASN 40 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1i4z h ALA 41 N -3.26 0.95 0.09 -2.53 0.00 -1.99 -2.80 119.26 109.71 1i4z h ALA 41 Ca -0.30 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 53.87 1i4z h ALA 41 Cb 1.02 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1i4z h ALA 41 CO 0.18 0.73 -0.83 -0.44 0.00 0.00 0.00 179.25 178.89 1i4z h ASP 42 N 0.08 0.58 -0.89 0.00 3.45 -1.95 -1.96 116.42 115.73 1i4z h ASP 42 Ca -0.01 -0.86 -0.02 0.00 0.43 0.00 0.00 57.03 56.58 1i4z h ASP 42 Cb 1.07 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.61 1i4z h ASP 42 CO 0.08 1.38 0.49 0.78 -1.57 0.00 0.00 179.24 180.40 1i4z h ASN 43 N -0.14 1.12 -0.42 6.45 2.35 -1.84 0.46 115.58 123.56 1i4z h ASN 43 Ca -0.13 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 1i4z h ASN 43 Cb 1.58 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 1i4z h ASN 43 CO 0.16 0.90 -0.03 0.25 -1.65 0.00 0.00 177.43 177.06 1i4z h LEU 44 N 1.25 0.76 0.40 1.61 5.85 -1.57 -2.13 115.31 121.48 1i4z h LEU 44 Ca 0.31 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1i4z h LEU 44 Cb 0.03 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1i4z h LEU 44 CO -0.05 0.91 -0.19 1.23 -0.34 0.00 0.00 178.44 180.00 1i4z h GLY 45 N 0.60 -0.55 -0.07 3.75 0.00 -0.63 0.38 103.07 106.55 1i4z h GLY 45 Ca 0.12 0.21 0.13 0.00 0.00 0.00 0.00 47.33 47.78 1i4z h GLY 45 CO 0.03 -0.20 0.01 -2.09 0.00 0.00 0.00 176.54 174.28 1i4z h GLU 46 N -0.60 0.12 -0.17 4.80 4.57 -0.05 0.13 114.58 123.37 1i4z h GLU 46 Ca -0.05 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1i4z h GLU 46 Cb 0.45 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1i4z h GLU 46 CO 0.09 0.08 0.05 1.25 -1.18 0.00 0.00 179.01 179.29 1i4z h LEU 47 N 0.12 0.26 -2.55 1.64 5.85 -1.17 -1.90 115.31 117.55 1i4z h LEU 47 Ca 0.33 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1i4z h LEU 47 Cb 0.53 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1i4z h LEU 47 CO -0.53 0.41 0.00 -0.09 -0.34 0.00 0.00 178.44 177.89 1i4z h ARG 48 N 0.09 0.00 0.00 1.25 9.65 0.13 0.37 114.38 125.87 1i4z h ARG 48 Ca 0.05 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 1i4z h ARG 48 Cb 0.25 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1i4z h ARG 48 CO -0.00 0.00 -0.44 -0.09 2.80 0.00 0.00 179.97 182.24 1i4z h ARG 49 N 0.00 0.00 -0.70 0.20 2.43 -0.32 -2.98 114.38 113.01 1i4z h ARG 49 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1i4z h ARG 49 Cb 0.03 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1i4z h ARG 49 CO 0.00 0.45 0.28 0.00 -1.51 0.00 0.00 179.97 179.20 1i4z h THR 51 N 1.01 0.14 -0.70 0.00 2.02 -0.42 1.18 112.91 116.15 1i4z h THR 51 Ca 0.24 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.31 1i4z h THR 51 Cb 0.18 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 1i4z h THR 51 CO -0.02 0.01 0.46 1.23 0.37 0.00 0.00 175.52 177.57 1i4z h GLY 52 N -1.17 0.97 0.87 2.16 0.00 -1.46 0.21 103.07 104.65 1i4z h GLY 52 Ca -0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1i4z h GLY 52 CO 0.18 0.33 -0.03 0.07 0.00 0.00 0.00 176.54 177.10 1i4z h LYS 53 N 0.91 0.52 -0.26 4.80 2.10 -0.29 -2.49 116.57 121.85 1i4z h LYS 53 Ca 0.26 -0.18 -0.05 0.00 -2.00 0.00 0.00 60.65 58.69 1i4z h LYS 53 Cb -0.05 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 1i4z h LYS 53 CO -0.06 0.69 -0.02 1.25 -2.00 0.00 0.00 179.45 179.30 1i4z h HIS 54 N 0.29 0.53 -0.97 0.07 6.17 0.22 -2.60 115.15 118.86 1i4z h HIS 54 Ca 0.08 -0.10 0.06 0.00 0.71 0.00 0.00 60.37 61.12 1i4z h HIS 54 Cb 0.47 -0.14 -0.06 0.00 2.52 0.00 0.00 27.41 30.20 1i4z h HIS 54 CO 0.04 0.66 0.63 0.74 0.71 0.00 0.00 177.93 180.71 1i4z h PHE 55 N 0.25 1.15 -0.18 5.26 0.04 -0.58 -1.48 116.94 121.40 1i4z h PHE 55 Ca 0.07 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 1i4z h PHE 55 Cb 0.47 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1i4z h PHE 55 CO 0.04 0.60 -0.09 1.25 -0.60 0.00 0.00 178.31 179.52 1i4z h LEU 56 N 1.13 0.39 -1.19 1.54 5.85 -1.33 -0.41 115.31 121.29 1i4z h LEU 56 Ca 0.42 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1i4z h LEU 56 Cb 0.18 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1i4z h LEU 56 CO -0.16 0.71 0.56 0.78 -0.34 0.00 0.00 178.44 179.99 1i4z h ASN 57 N 0.06 0.91 0.13 1.25 -0.26 -1.16 -0.51 115.58 115.99 1i4z h ASN 57 Ca 0.04 -0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.60 1i4z h ASN 57 Cb 0.57 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1i4z h ASN 57 CO 0.03 0.63 -0.61 -0.08 -1.06 0.00 0.00 177.43 176.33 1i4z h GLU 58 N 1.06 0.48 -0.26 0.81 4.81 -1.07 -2.34 114.58 118.06 1i4z h GLU 58 Ca 0.34 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1i4z h GLU 58 Cb 0.03 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1i4z h GLU 58 CO -0.10 0.94 -0.28 1.96 -0.73 0.00 0.00 179.01 180.80 1i4z h GLN 59 N 0.35 0.52 0.14 1.92 4.20 -0.27 -2.13 115.11 119.84 1i4z h GLN 59 Ca -0.01 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1i4z h GLN 59 Cb 1.16 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1i4z h GLN 59 CO 0.11 0.75 -0.06 0.28 -0.67 0.00 0.00 178.83 179.24 1i4z h VAL 60 N 0.45 0.95 -0.62 -0.54 2.07 -0.87 -1.15 116.25 116.54 1i4z h VAL 60 Ca 0.06 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1i4z h VAL 60 Cb 0.72 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1i4z h VAL 60 CO 0.06 0.08 0.15 -0.07 0.02 0.00 0.00 177.57 177.81 1i4z h LEU 61 N -0.35 0.91 -0.55 2.57 4.07 -1.43 -0.99 115.31 119.54 1i4z h LEU 61 Ca -0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.76 1i4z h LEU 61 Cb 0.28 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1i4z h LEU 61 CO 0.03 0.88 0.33 0.24 -1.08 0.00 0.00 178.44 178.83 1i4z h MET 62 N 0.93 0.75 -0.17 1.13 2.07 -1.24 -2.03 114.93 116.35 1i4z h MET 62 Ca 0.20 -0.07 -0.06 0.00 -2.07 0.00 0.00 59.70 57.70 1i4z h MET 62 Cb 0.32 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 1i4z h MET 62 CO -0.00 0.55 -0.14 1.96 1.07 0.00 0.00 176.91 180.35 1i4z h GLN 63 N 0.74 0.28 0.00 1.72 4.20 -0.81 -0.21 115.11 121.03 1i4z h GLN 63 Ca 0.20 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1i4z h GLN 63 Cb -0.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1i4z h GLN 63 CO -0.04 0.43 -0.01 0.00 -0.67 0.00 0.00 178.83 178.54 1i4z h ALA 64 N 1.60 1.38 -0.05 3.87 0.00 -0.42 0.24 119.26 125.88 1i4z h ALA 64 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i4z h ALA 64 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1i4z h ALA 64 CO 0.02 0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.72 1i4z n SER 65 N -3.65 2.57 -4.03 0.00 7.64 -1.07 -4.99 113.62 110.09 1i4z n SER 65 Ca -0.03 -2.93 -0.30 0.00 1.01 0.00 0.00 58.87 56.62 1i4z n SER 65 Cb 0.09 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 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 -1.14 -2.00 -1.70 1.43 6.02 0.07 -4.78 117.38 115.29 1i4z n GLN 66 Ca 0.15 0.28 -0.56 0.00 -0.01 0.00 0.00 57.00 56.87 1i4z n GLN 66 Cb 0.63 -3.96 -0.07 0.00 1.02 0.00 0.00 30.24 27.86 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 -4.51 2.07 -0.31 1.08 -0.00 -0.12 -4.86 117.16 110.51 1i4z n TYR 67 Ca -0.26 0.46 0.11 0.00 -0.00 0.00 0.00 57.90 58.20 1i4z n TYR 67 Cb 0.66 -2.48 0.33 0.00 -0.00 0.00 0.00 39.34 37.85 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 7.35 0.76 -0.93 2.98 4.15 -1.90 -2.67 115.11 124.85 1i4z h GLN 68 Ca -0.47 -0.05 -0.54 0.00 0.77 0.00 0.00 58.65 58.37 1i4z h GLN 68 Cb 1.31 -0.17 -0.29 0.00 0.21 0.00 0.00 27.48 28.54 1i4z h GLN 68 CO 0.95 0.50 0.61 1.19 -1.93 0.00 0.00 178.83 180.15 1i4z n PHE 69 N -4.61 2.93 -0.18 3.99 3.01 -1.26 -4.71 117.46 116.63 1i4z n PHE 69 Ca 0.19 -2.23 -0.09 0.00 1.01 0.00 0.00 57.45 56.33 1i4z n PHE 69 Cb 0.46 -1.05 0.01 0.00 -0.01 0.00 0.00 39.48 38.89 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 1.37 0.87 0.00 1.38 5.03 -1.86 -3.09 116.97 120.67 1i4z h TYR 70 Ca 0.58 -0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.79 1i4z h TYR 70 Cb 2.04 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 40.07 1i4z h TYR 70 CO 1.47 0.76 -0.00 -0.44 -1.32 0.00 0.00 178.16 178.63 1i4z h ASP 71 N 0.72 -0.00 -0.71 -2.11 3.32 -1.87 -2.09 116.42 113.68 1i4z h ASP 71 Ca 0.16 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.23 1i4z h ASP 71 Cb 0.33 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 1i4z h ASP 71 CO 0.00 0.03 0.41 1.05 -1.72 0.00 0.00 179.24 179.02 1i4z h GLU 72 N -0.04 0.74 0.00 3.56 4.11 -1.94 -0.81 114.58 120.21 1i4z h GLU 72 Ca -0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 1i4z h GLU 72 Cb 0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1i4z h GLU 72 CO 0.00 0.49 -0.30 1.25 0.07 0.00 0.00 179.01 180.53 1i4z h HIS 73 N 0.77 0.00 0.09 2.06 2.76 -1.47 -2.17 115.15 117.19 1i4z h HIS 73 Ca 0.31 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.22 1i4z h HIS 73 Cb 0.16 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.13 1i4z h HIS 73 CO -0.06 0.30 -1.15 -0.22 -1.30 0.00 0.00 177.93 175.49 1i4z h LYS 74 N 0.00 0.33 -0.46 5.26 3.64 -0.59 -2.20 116.57 122.54 1i4z h LYS 74 Ca -0.00 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1i4z h LYS 74 Cb 0.55 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1i4z h LYS 74 CO 0.04 1.19 0.12 0.87 -2.27 0.00 0.00 179.45 179.40 1i4z h LYS 75 N 0.13 0.69 0.67 1.90 1.79 -0.90 -1.44 116.57 119.41 1i4z h LYS 75 Ca -0.12 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.19 1i4z h LYS 75 Cb 1.84 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 32.39 1i4z h LYS 75 CO 0.19 0.62 -0.32 0.93 -1.08 0.00 0.00 179.45 179.79 1i4z h GLU 76 N 0.67 -0.87 -0.81 3.15 4.39 -1.30 -2.20 114.58 117.62 1i4z h GLU 76 Ca 0.15 0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.03 1i4z h GLU 76 Cb 0.24 0.20 -0.13 0.00 -0.10 0.00 0.00 28.75 28.95 1i4z h GLU 76 CO -0.00 -0.58 -0.43 0.45 -1.16 0.00 0.00 179.01 177.29 1i4z h HIS 77 N -0.98 -1.25 -0.97 4.33 3.86 -1.20 0.71 115.15 119.64 1i4z h HIS 77 Ca -0.09 0.10 0.13 0.00 -1.16 0.00 0.00 60.37 59.35 1i4z h HIS 77 Cb 0.69 0.66 -0.08 0.00 1.06 0.00 0.00 27.41 29.75 1i4z h HIS 77 CO 0.05 -0.40 0.61 0.93 0.86 0.00 0.00 177.93 179.99 1i4z h GLU 78 N -0.09 0.86 -0.61 2.45 5.08 -1.29 -1.46 114.58 119.52 1i4z h GLU 78 Ca 0.25 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1i4z h GLU 78 Cb 0.55 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1i4z h GLU 78 CO -0.85 0.57 0.35 1.15 -1.00 0.00 0.00 179.01 179.24 1i4z h THR 79 N 0.89 1.02 -0.44 1.13 2.02 -0.19 0.36 112.91 117.71 1i4z h THR 79 Ca 0.49 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.34 1i4z h THR 79 Cb 0.59 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1i4z h THR 79 CO -0.26 0.12 -0.09 0.15 0.37 0.00 0.00 175.52 175.82 1i4z h PHE 80 N 0.68 0.93 -0.38 3.16 3.57 -1.02 -1.00 116.94 122.88 1i4z h PHE 80 Ca 0.26 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1i4z h PHE 80 Cb 0.09 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1i4z h PHE 80 CO -0.07 0.93 -0.05 0.82 -2.23 0.00 0.00 178.31 177.71 1i4z h ILE 81 N 0.66 1.23 -0.26 1.41 1.08 -0.85 0.18 117.51 120.96 1i4z h ILE 81 Ca 0.11 -0.98 -0.06 0.00 -0.39 0.00 0.00 64.86 63.54 1i4z h ILE 81 Cb 0.62 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1i4z h ILE 81 CO 0.04 0.33 -0.09 -0.74 -0.69 0.00 0.00 178.15 177.01 1i4z h HIS 82 N 0.59 0.58 -0.64 1.37 -0.00 -0.04 -2.16 115.15 114.86 1i4z h HIS 82 Ca 0.12 -0.13 0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1i4z h HIS 82 Cb 0.45 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.67 1i4z h HIS 82 CO 0.02 0.75 0.36 0.00 -0.00 0.00 0.00 177.93 179.05 1i4z h ALA 83 N 0.75 0.85 -0.48 5.26 0.00 -0.79 -1.88 119.26 122.98 1i4z h ALA 83 Ca 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1i4z h ALA 83 Cb 0.57 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1i4z h ALA 83 CO 0.03 0.05 -0.05 -0.07 0.00 0.00 0.00 179.25 179.21 1i4z h LEU 84 N 0.68 0.81 -0.13 0.00 3.38 -0.56 -2.23 115.31 117.25 1i4z h LEU 84 Ca 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i4z h LEU 84 Cb 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1i4z h LEU 84 CO -0.17 0.90 0.00 0.47 0.09 0.00 0.00 178.44 179.74 1i4z n ASP 85 N -4.19 0.19 -2.75 -0.43 10.43 -0.82 -2.83 116.55 116.16 1i4z n ASP 85 Ca 0.02 -1.83 -0.04 0.00 2.57 0.00 0.00 54.79 55.51 1i4z n ASP 85 Cb 0.34 -0.02 0.06 0.00 1.84 0.00 0.00 41.12 43.34 1i4z n ASP 85 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1i4z n ASN 86 N -0.48 0.68 -4.63 -2.24 3.02 -0.76 -5.04 115.26 105.80 1i4z n ASN 86 Ca 0.05 -2.30 -0.41 0.00 -0.03 0.00 0.00 54.58 51.89 1i4z n ASN 86 Cb 0.05 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.59 1.35 -2.56 3.10 -0.00 -0.96 -4.88 117.44 112.90 1i4z n TRP 87 Ca 0.03 0.55 0.00 0.00 -0.00 0.00 0.00 57.50 58.07 1i4z n TRP 87 Cb 0.82 -2.26 0.03 0.00 -0.00 0.00 0.00 31.31 29.91 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 0.09 0.76 -0.76 5.87 -0.00 -1.26 -4.99 118.16 117.88 1i4z n LYS 88 Ca 0.09 -2.22 0.00 0.00 -0.00 0.00 0.00 58.31 56.18 1i4z n LYS 88 Cb 0.39 -0.38 0.00 0.00 -0.00 0.00 0.00 35.03 35.04 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 -0.24 0.00 3.40 2.58 0.00 -1.26 -4.85 105.19 104.83 1i4z n GLY 89 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.07 3.43 -0.01 1.61 4.64 -1.26 -4.71 116.55 120.18 1i4z n ASP 90 Ca 0.00 -2.76 -0.04 0.00 -1.38 0.00 0.00 54.79 50.62 1i4z n ASP 90 Cb 0.38 -1.60 0.19 0.00 -1.04 0.00 0.00 41.12 39.05 1i4z n ASP 90 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1i4z h VAL 91 N 5.47 1.26 -0.38 5.18 3.04 -1.94 -2.58 116.25 126.29 1i4z h VAL 91 Ca 0.34 -1.22 -0.05 0.00 -1.01 0.00 0.00 66.70 64.77 1i4z h VAL 91 Cb 0.84 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 1i4z h VAL 91 CO 1.50 0.39 0.05 0.11 -1.01 0.00 0.00 177.57 178.61 1i4z h LYS 92 N 0.50 0.64 -0.64 4.17 1.57 -2.00 -0.19 116.57 120.63 1i4z h LYS 92 Ca 0.08 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1i4z h LYS 92 Cb 0.63 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1i4z h LYS 92 CO 0.04 0.71 0.11 2.35 -0.57 0.00 0.00 179.45 182.10 1i4z h TRP 93 N 0.49 1.09 -0.50 -1.35 7.01 -1.95 -1.38 115.95 119.36 1i4z h TRP 93 Ca 0.12 -0.14 -0.07 0.00 2.11 0.00 0.00 58.89 60.90 1i4z h TRP 93 Cb 0.38 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 1i4z h TRP 93 CO 0.03 0.91 0.01 0.00 -2.79 0.00 0.00 178.44 176.60 1i4z h ALA 94 N 1.14 1.08 -0.17 2.65 0.00 -1.26 -0.74 119.26 121.96 1i4z h ALA 94 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1i4z h ALA 94 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1i4z h ALA 94 CO 0.01 0.58 -0.01 0.87 0.00 0.00 0.00 179.25 180.70 1i4z h LYS 95 N 0.77 0.31 -0.10 0.00 1.57 -0.56 -2.65 116.57 115.91 1i4z h LYS 95 Ca 0.15 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1i4z h LYS 95 Cb 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1i4z h LYS 95 CO 0.02 0.54 0.01 0.66 -0.57 0.00 0.00 179.45 180.11 1i4z h SER 96 N 0.04 0.16 -0.63 0.86 4.64 -1.14 -1.76 113.55 115.73 1i4z h SER 96 Ca 0.05 -0.29 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 1i4z h SER 96 Cb 0.41 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 1i4z h SER 96 CO 0.01 0.41 0.33 -0.25 -0.87 0.00 0.00 176.83 176.46 1i4z h TRP 97 N -0.09 0.60 -0.55 4.77 7.01 -1.21 0.57 115.95 127.06 1i4z h TRP 97 Ca 0.03 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.96 1i4z h TRP 97 Cb 0.32 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 1i4z h TRP 97 CO 0.03 0.27 -0.05 -0.92 -2.79 0.00 0.00 178.44 174.98 1i4z h TYR 98 N 0.61 1.07 -0.18 2.65 3.20 -1.40 0.16 116.97 123.08 1i4z h TYR 98 Ca 0.29 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1i4z h TYR 98 Cb 0.22 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1i4z h TYR 98 CO -0.10 0.98 0.11 0.28 -1.64 0.00 0.00 178.16 177.79 1i4z h VAL 99 N 0.89 1.09 -0.04 1.81 2.07 -0.58 -2.42 116.25 119.07 1i4z h VAL 99 Ca 0.15 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1i4z h VAL 99 Cb 0.59 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1i4z h VAL 99 CO 0.04 0.08 -0.42 0.78 0.02 0.00 0.00 177.57 178.07 1i4z h ASN 100 N 0.20 0.08 -0.40 0.57 4.21 -0.75 -2.38 115.58 117.12 1i4z h ASN 100 Ca 0.06 -0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.50 1i4z h ASN 100 Cb 0.04 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 1i4z h ASN 100 CO -0.01 0.49 0.10 -0.74 -1.29 0.00 0.00 177.43 175.98 1i4z h HIS 101 N 0.07 0.66 0.37 1.19 2.76 -0.39 0.41 115.15 120.22 1i4z h HIS 101 Ca 0.00 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1i4z h HIS 101 Cb 0.77 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1i4z h HIS 101 CO 0.00 0.63 -0.18 0.82 -1.30 0.00 0.00 177.93 177.91 1i4z h ILE 102 N 0.50 0.53 -0.33 6.26 2.04 -1.36 0.15 117.51 125.30 1i4z h ILE 102 Ca 0.12 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1i4z h ILE 102 Cb 0.30 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1i4z h ILE 102 CO 0.00 0.10 0.23 0.11 0.00 0.00 0.00 178.15 178.58 1i4z h LYS 103 N -0.88 0.21 0.00 2.37 1.57 -1.37 -1.28 116.57 117.18 1i4z h LYS 103 Ca -0.05 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.48 1i4z h LYS 103 Cb 0.54 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1i4z h LYS 103 CO 0.08 0.14 -1.83 0.25 -0.57 0.00 0.00 179.45 177.53 1i4z n THR 104 N -4.48 0.82 0.03 -0.16 -2.24 0.14 -4.40 114.28 103.99 1i4z n THR 104 Ca 0.04 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 1i4z n THR 104 Cb 0.25 -1.50 -0.14 0.00 -2.10 0.00 0.00 70.33 66.83 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 -0.39 1.43 0.02 2.28 1.08 -1.39 -3.32 117.51 117.23 1i4z h ILE 105 Ca -0.36 -2.50 -0.00 0.00 -0.39 0.00 0.00 64.86 61.61 1i4z h ILE 105 Cb 1.38 3.11 0.00 0.00 -3.07 0.00 0.00 36.82 38.23 1i4z h ILE 105 CO -0.18 0.70 -0.01 0.44 -0.69 0.00 0.00 178.15 178.41 1i4z h ASP 106 N -0.40 -0.02 0.00 1.72 3.32 -0.72 -2.85 116.42 117.47 1i4z h ASP 106 Ca -0.17 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1i4z h ASP 106 Cb 1.63 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1i4z h ASP 106 CO 0.12 0.20 0.33 -0.26 -1.72 0.00 0.00 179.24 177.91 1i4z h PHE 107 N -0.24 0.00 -0.16 4.55 0.05 -1.41 -0.91 116.94 118.82 1i4z h PHE 107 Ca -0.00 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.63 1i4z h PHE 107 Cb 0.23 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.17 1i4z h PHE 107 CO -0.00 0.00 -0.56 0.87 -0.18 0.00 0.00 178.31 178.44 1i4z h LYS 108 N 0.00 0.48 0.00 1.51 1.57 -1.60 -3.09 116.57 115.44 1i4z h LYS 108 Ca 0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1i4z h LYS 108 Cb 0.66 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1i4z h LYS 108 CO 0.00 0.91 0.00 2.48 -0.57 0.00 0.00 179.45 182.27 1i4z n TYR 109 N -3.94 0.00 -1.67 -1.35 0.18 -0.35 -4.81 117.16 105.22 1i4z n TYR 109 Ca -0.03 0.00 -0.50 0.00 1.88 0.00 0.00 57.90 59.25 1i4z n TYR 109 Cb 0.60 -0.20 -0.05 0.00 -0.38 0.00 0.00 39.34 39.32 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 -1.20 1.87 -0.90 -3.48 5.02 -1.17 -0.10 118.16 118.20 1i4z n LYS 110 Ca 0.14 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1i4z n LYS 110 Cb 0.16 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.71 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 3.88 0.50 0.12 0.72 0.00 -1.26 -4.84 105.19 104.31 1i4z n GLY 111 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.81 2.46 0.00 1.61 5.02 0.85 -5.27 118.16 121.03 1i4z n LYS 112 Ca 0.00 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1i4z n LYS 112 Cb 0.08 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1i4z n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32