#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 2.95 0.38 1.61 0.08 -1.26 -4.95 117.98 116.79 1i4z s PHE 2 Ca 0.00 0.49 -0.26 0.00 0.12 0.00 0.00 56.93 57.28 1i4z s PHE 2 Cb 0.00 -4.01 -0.09 0.00 -0.57 0.00 0.00 43.02 38.35 1i4z s PHE 2 CO 0.00 -3.80 1.21 -1.25 -0.10 0.00 0.00 175.22 171.27 1i4z s PRO 3 N 1.27 4.15 -0.25 0.24 0.04 -1.26 -4.99 135.00 134.20 1i4z s PRO 3 Ca 0.72 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 63.57 1i4z s PRO 3 Cb -0.46 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1i4z s PRO 3 CO 0.32 -0.27 0.36 0.42 0.04 0.00 0.00 177.00 177.87 1i4z s ILE 4 N -1.31 5.20 0.20 0.56 -1.09 -1.26 -5.03 121.20 118.46 1i4z s ILE 4 Ca 0.54 0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 59.23 1i4z s ILE 4 Cb -0.34 -3.69 -0.09 0.00 -1.58 0.00 0.00 42.46 36.76 1i4z s ILE 4 CO 0.43 0.20 1.38 -2.16 -1.23 0.00 0.00 174.94 173.56 1i4z s PRO 5 N 1.79 4.33 -0.17 2.79 0.04 -1.26 -4.98 135.00 137.54 1i4z s PRO 5 Ca 0.15 2.15 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 1i4z s PRO 5 Cb -0.15 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.26 1i4z s PRO 5 CO 0.09 -0.36 -0.01 0.34 0.04 0.00 0.00 177.00 177.10 1i4z s ASP 6 N 0.52 2.73 0.54 6.66 -1.08 -1.26 -1.62 116.67 123.16 1i4z s ASP 6 Ca 0.60 -0.66 -0.21 0.00 -0.52 0.00 0.00 52.55 51.75 1i4z s ASP 6 Cb -0.39 -0.75 -0.05 0.00 -1.46 0.00 0.00 42.92 40.27 1i4z s ASP 6 CO 0.38 -0.23 1.27 -2.16 0.52 0.00 0.00 175.17 174.95 1i4z s PRO 7 N 1.75 3.25 -0.93 4.34 0.04 -1.26 -5.01 135.00 137.17 1i4z s PRO 7 Ca 0.00 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 1i4z s PRO 7 Cb -0.16 -2.21 -0.20 0.00 0.04 0.00 0.00 34.50 31.97 1i4z s PRO 7 CO -0.07 -1.04 1.96 0.98 0.04 0.00 0.00 177.00 178.87 1i4z n TYR 8 N -1.03 1.54 -4.44 0.56 4.19 -0.64 -4.84 117.16 112.50 1i4z n TYR 8 Ca 0.10 -0.87 -0.23 0.00 3.31 0.00 0.00 57.90 60.22 1i4z n TYR 8 Cb 0.47 -2.25 -0.10 0.00 0.49 0.00 0.00 39.34 37.95 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 12.29 2.30 0.07 2.97 1.01 -1.26 -4.46 120.40 133.32 1i4z s VAL 9 Ca 0.72 -2.32 -0.23 0.00 0.00 0.00 0.00 61.98 60.15 1i4z s VAL 9 Cb 0.02 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1i4z s VAL 9 CO 0.19 -0.41 0.70 0.86 0.00 0.00 0.00 175.10 176.44 1i4z s TRP 10 N -2.50 3.78 0.15 5.22 -0.00 -1.26 -4.82 118.94 119.50 1i4z s TRP 10 Ca 0.27 1.42 0.06 0.00 -0.00 0.00 0.00 56.10 57.85 1i4z s TRP 10 Cb -0.05 -2.71 -0.04 0.00 -0.00 0.00 0.00 33.47 30.68 1i4z s TRP 10 CO 0.13 0.40 -0.14 0.16 -0.00 0.00 0.00 176.95 177.50 1i4z s ASP 11 N -0.51 2.13 0.63 5.86 1.47 -1.26 -5.04 116.67 119.94 1i4z s ASP 11 Ca 0.35 -0.90 0.22 0.00 1.18 0.00 0.00 52.55 53.40 1i4z s ASP 11 Cb -0.20 -0.08 1.01 0.00 -0.34 0.00 0.00 42.92 43.31 1i4z s ASP 11 CO 0.22 -0.18 1.52 -0.65 0.68 0.00 0.00 175.17 176.76 1i4z h PRO 12 N 3.14 0.00 0.00 2.11 0.11 -2.01 -0.05 132.00 135.30 1i4z h PRO 12 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1i4z h PRO 12 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i4z h PRO 12 CO 0.56 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.01 1i4z h SER 13 N 0.00 0.00 0.17 -2.05 4.64 -2.02 -1.46 113.55 112.83 1i4z h SER 13 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1i4z h SER 13 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1i4z h SER 13 CO -0.00 0.00 -0.26 0.49 -0.87 0.00 0.00 176.83 176.19 1i4z n PHE 14 N -2.46 0.00 -1.69 4.77 3.01 -0.03 -4.99 117.46 116.06 1i4z n PHE 14 Ca 0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.03 1i4z n PHE 14 Cb 0.19 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.54 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 -0.45 2.17 -0.00 -1.08 1.74 -0.55 -4.89 116.66 113.58 1i4z n ARG 15 Ca 0.13 0.77 0.08 0.00 -0.77 0.00 0.00 57.85 58.05 1i4z n ARG 15 Cb 0.37 -2.43 -0.11 0.00 -1.02 0.00 0.00 32.46 29.27 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 1.67 0.00 -0.93 0.55 -2.24 -1.26 -4.99 114.28 107.07 1i4z n THR 16 Ca 0.10 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1i4z n THR 16 Cb 0.33 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.69 0.00 -3.67 4.78 3.72 -1.26 -4.76 117.46 114.58 1i4z n PHE 17 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1i4z n PHE 17 Cb 0.33 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.78 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 -2.14 3.48 0.06 1.38 2.02 -1.26 -5.02 117.35 115.87 1i4z s TYR 18 Ca 0.00 -2.51 -0.11 0.00 -0.37 0.00 0.00 57.07 54.08 1i4z s TYR 18 Cb 0.00 -3.30 -0.03 0.00 -0.40 0.00 0.00 41.96 38.23 1i4z s TYR 18 CO 0.00 -0.89 1.00 0.45 -1.57 0.00 0.00 175.55 174.54 1i4z n SER 19 N 3.84 -0.38 -0.29 2.29 2.88 -1.26 -0.75 113.62 119.94 1i4z n SER 19 Ca 0.06 1.09 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 1i4z n SER 19 Cb 0.40 -0.31 0.28 0.00 -0.75 0.00 0.00 64.21 63.83 1i4z n SER 19 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1i4z h ILE 20 N 0.00 0.43 -0.18 2.46 6.09 -1.99 0.14 117.51 124.46 1i4z h ILE 20 Ca 0.06 -0.11 -0.13 0.00 -1.37 0.00 0.00 64.86 63.31 1i4z h ILE 20 Cb 0.15 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 37.51 1i4z h ILE 20 CO -0.34 0.06 -0.43 0.40 -3.07 0.00 0.00 178.15 174.77 1i4z h ILE 21 N 0.33 1.31 -0.04 2.19 2.04 -1.65 -2.41 117.51 119.28 1i4z h ILE 21 Ca 0.54 -1.61 -0.14 0.00 1.00 0.00 0.00 64.86 64.65 1i4z h ILE 21 Cb 1.03 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1i4z h ILE 21 CO -0.56 0.50 -0.63 0.44 0.00 0.00 0.00 178.15 177.89 1i4z h ASP 22 N 0.36 0.18 -0.03 1.72 3.32 0.13 -2.78 116.42 119.32 1i4z h ASP 22 Ca 0.03 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.78 1i4z h ASP 22 Cb 0.91 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1i4z h ASP 22 CO 0.08 0.76 -0.68 0.44 -1.72 0.00 0.00 179.24 178.12 1i4z h ASP 23 N 0.11 0.76 0.49 6.45 3.45 -0.67 -2.59 116.42 124.42 1i4z h ASP 23 Ca -0.01 -0.46 -0.09 0.00 0.43 0.00 0.00 57.03 56.90 1i4z h ASP 23 Cb 1.14 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.67 1i4z h ASP 23 CO 0.09 1.23 -0.42 -0.33 -1.57 0.00 0.00 179.24 178.24 1i4z h GLU 24 N 0.47 0.00 -0.13 3.56 5.08 -1.46 -2.72 114.58 119.38 1i4z h GLU 24 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1i4z h GLU 24 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1i4z h GLU 24 CO 0.13 0.42 -0.57 0.45 -1.00 0.00 0.00 179.01 178.45 1i4z h HIS 25 N 0.00 0.52 -0.35 4.33 3.86 -1.34 -2.58 115.15 119.58 1i4z h HIS 25 Ca -0.00 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1i4z h HIS 25 Cb 0.78 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1i4z h HIS 25 CO 0.00 0.89 0.20 0.87 0.86 0.00 0.00 177.93 180.75 1i4z h LYS 26 N 0.32 0.49 -0.33 2.45 1.57 -1.15 -2.08 116.57 117.84 1i4z h LYS 26 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1i4z h LYS 26 Cb 1.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1i4z h LYS 26 CO 0.10 0.39 0.09 1.79 -0.57 0.00 0.00 179.45 181.25 1i4z h THR 27 N 0.45 1.15 -0.07 -0.16 1.35 -1.51 -2.79 112.91 111.34 1i4z h THR 27 Ca 0.13 -0.51 -0.16 0.00 -0.55 0.00 0.00 66.41 65.31 1i4z h THR 27 Cb 0.04 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 1i4z h THR 27 CO -0.02 0.19 -0.66 0.25 -0.25 0.00 0.00 175.52 175.02 1i4z h LEU 28 N 0.47 0.32 -0.66 3.87 6.46 -1.01 -2.23 115.31 122.52 1i4z h LEU 28 Ca 0.11 -0.20 -0.06 0.00 -0.12 0.00 0.00 57.88 57.62 1i4z h LEU 28 Cb 0.16 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 1i4z h LEU 28 CO -0.01 0.89 0.19 -0.26 -0.62 0.00 0.00 178.44 178.63 1i4z h PHE 29 N 0.20 1.08 -0.79 1.25 -1.00 -1.17 -3.03 116.94 113.49 1i4z h PHE 29 Ca -0.01 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 1i4z h PHE 29 Cb 1.20 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 40.41 1i4z h PHE 29 CO 0.03 0.89 0.47 -0.97 -1.61 0.00 0.00 178.31 177.12 1i4z h ASN 30 N 0.97 0.96 -0.75 2.17 -1.24 -1.24 -1.12 115.58 115.32 1i4z h ASN 30 Ca 0.21 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1i4z h ASN 30 Cb 0.33 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 1i4z h ASN 30 CO -0.00 0.74 0.38 1.23 -1.29 0.00 0.00 177.43 178.50 1i4z h GLY 31 N 1.09 1.15 1.94 1.57 0.00 -1.29 -2.33 103.07 105.20 1i4z h GLY 31 Ca 0.28 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1i4z h GLY 31 CO -0.05 0.52 -0.12 -2.22 0.00 0.00 0.00 176.54 174.67 1i4z h ILE 32 N 1.08 0.09 0.87 2.60 2.04 -1.40 -2.25 117.51 120.54 1i4z h ILE 32 Ca 0.27 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1i4z h ILE 32 Cb 0.08 2.02 0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1i4z h ILE 32 CO -0.04 0.05 -0.42 0.15 0.00 0.00 0.00 178.15 177.90 1i4z h PHE 33 N 0.00 -1.09 -0.65 1.37 3.57 -0.67 -3.04 116.94 116.44 1i4z h PHE 33 Ca -0.00 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1i4z h PHE 33 Cb 1.04 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 1i4z h PHE 33 CO 0.00 -0.68 0.21 0.45 -2.23 0.00 0.00 178.31 176.07 1i4z h HIS 34 N -1.28 1.00 0.00 0.41 3.86 -1.55 -2.32 115.15 115.27 1i4z h HIS 34 Ca -0.12 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1i4z h HIS 34 Cb 0.90 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1i4z h HIS 34 CO 0.01 0.80 0.00 -0.11 0.86 0.00 0.00 177.93 179.48 1i4z n LEU 35 N -4.28 0.00 -0.01 2.43 -0.00 -0.85 -1.07 117.00 113.22 1i4z n LEU 35 Ca 0.05 0.39 0.07 0.00 -0.00 0.00 0.00 56.01 56.52 1i4z n LEU 35 Cb 0.21 -0.39 -0.12 0.00 -0.00 0.00 0.00 43.42 43.12 1i4z n LEU 35 CO 0.40 -0.36 -0.70 0.00 -0.00 0.00 0.00 177.39 176.74 1i4z n ALA 36 N -1.39 2.53 0.05 1.96 0.00 -0.88 -3.83 120.51 118.96 1i4z n ALA 36 Ca 0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 53.44 52.88 1i4z n ALA 36 Cb 0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 19.45 18.82 1i4z n ALA 36 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1i4z h ILE 37 N 0.00 1.04 -1.52 0.00 2.04 -1.06 -3.44 117.51 114.58 1i4z h ILE 37 Ca -0.02 -2.70 -0.13 0.00 1.00 0.00 0.00 64.86 63.02 1i4z h ILE 37 Cb 0.76 2.71 -0.26 0.00 -0.74 0.00 0.00 36.82 39.28 1i4z h ILE 37 CO 0.00 0.81 -0.49 -0.62 0.00 0.00 0.00 178.15 177.85 1i4z s ASP 38 N -6.97 -0.16 0.00 1.72 2.15 -0.28 -5.04 116.67 108.09 1i4z s ASP 38 Ca -0.11 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 52.66 1i4z s ASP 38 Cb 0.07 1.36 0.00 0.00 -0.30 0.00 0.00 42.92 44.04 1i4z s ASP 38 CO 0.84 -0.34 0.01 -0.67 -0.17 0.00 0.00 175.17 174.85 1i4z n ASP 39 N 5.37 0.02 -4.02 -0.34 2.03 -1.25 -4.48 116.55 113.88 1i4z n ASP 39 Ca 0.02 -0.04 -0.29 0.00 0.52 0.00 0.00 54.79 55.00 1i4z n ASP 39 Cb 0.51 -0.01 0.27 0.00 -0.72 0.00 0.00 41.12 41.16 1i4z n ASP 39 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1i4z s ASN 40 N -1.07 0.09 0.35 1.67 6.03 -1.26 -4.84 114.94 115.92 1i4z s ASN 40 Ca 0.00 1.15 0.19 0.00 -1.03 0.00 0.00 52.86 53.17 1i4z s ASN 40 Cb 0.00 -1.74 0.39 0.00 -3.03 0.00 0.00 41.25 36.87 1i4z s ASN 40 CO 0.00 -4.70 1.59 0.00 -2.03 0.00 0.00 177.10 171.97 1i4z h ALA 41 N -2.96 0.83 -0.15 3.54 0.00 -1.99 -2.71 119.26 115.82 1i4z h ALA 41 Ca -0.53 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 53.84 1i4z h ALA 41 Cb 1.34 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1i4z h ALA 41 CO 0.41 0.43 -0.77 -0.44 0.00 0.00 0.00 179.25 178.88 1i4z h ASP 42 N 0.00 0.95 -0.13 0.00 3.45 -1.94 -1.24 116.42 117.49 1i4z h ASP 42 Ca -0.00 -0.63 -0.11 0.00 0.43 0.00 0.00 57.03 56.72 1i4z h ASP 42 Cb 1.12 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1i4z h ASP 42 CO 0.04 1.42 -0.28 0.78 -1.57 0.00 0.00 179.24 179.64 1i4z h ASN 43 N 0.53 0.62 -0.22 6.45 2.35 -1.85 -0.25 115.58 123.21 1i4z h ASN 43 Ca -0.05 -0.23 -0.14 0.00 -0.55 0.00 0.00 56.30 55.33 1i4z h ASN 43 Cb 1.40 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 1i4z h ASN 43 CO 0.16 0.87 -0.37 0.25 -1.65 0.00 0.00 177.43 176.69 1i4z h LEU 44 N 0.52 0.80 -0.54 1.61 5.85 -1.46 -1.81 115.31 120.28 1i4z h LEU 44 Ca 0.07 -0.35 -0.14 0.00 0.84 0.00 0.00 57.88 58.30 1i4z h LEU 44 Cb 0.75 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1i4z h LEU 44 CO 0.06 1.08 -0.38 1.23 -0.34 0.00 0.00 178.44 180.09 1i4z h GLY 45 N 0.93 0.83 1.07 3.75 0.00 -0.97 0.30 103.07 108.98 1i4z h GLY 45 Ca 0.06 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.44 1i4z h GLY 45 CO 0.08 0.75 -0.16 -2.09 0.00 0.00 0.00 176.54 175.12 1i4z h GLU 46 N 0.63 0.96 -0.07 4.80 4.57 -0.98 -1.27 114.58 123.21 1i4z h GLU 46 Ca 0.05 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1i4z h GLU 46 Cb 0.93 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1i4z h GLU 46 CO 0.09 1.06 -0.05 1.25 -1.18 0.00 0.00 179.01 180.17 1i4z h LEU 47 N 0.81 0.16 -2.17 1.64 5.85 -1.22 -2.48 115.31 117.90 1i4z h LEU 47 Ca 0.12 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1i4z h LEU 47 Cb 0.73 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1i4z h LEU 47 CO 0.06 0.59 0.15 -0.09 -0.34 0.00 0.00 178.44 178.81 1i4z h ARG 48 N -0.26 0.00 0.16 1.25 9.65 -0.34 0.22 114.38 125.05 1i4z h ARG 48 Ca 0.01 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1i4z h ARG 48 Cb 0.54 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1i4z h ARG 48 CO 0.01 0.00 -0.08 -0.09 2.80 0.00 0.00 179.97 182.62 1i4z h ARG 49 N 0.00 -0.20 -0.67 0.20 2.43 -1.16 -3.10 114.38 111.88 1i4z h ARG 49 Ca 0.08 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.38 1i4z h ARG 49 Cb 0.38 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.89 1i4z h ARG 49 CO -0.00 -0.14 0.23 0.00 -1.51 0.00 0.00 179.97 178.55 1i4z h THR 51 N 0.38 0.00 -0.89 0.00 2.02 -0.73 -0.74 112.91 112.94 1i4z h THR 51 Ca 0.35 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.69 1i4z h THR 51 Cb 0.51 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.84 1i4z h THR 51 CO -0.38 0.00 0.58 1.23 0.37 0.00 0.00 175.52 177.32 1i4z h GLY 52 N -0.98 1.16 0.62 2.16 0.00 -1.42 0.53 103.07 105.14 1i4z h GLY 52 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1i4z h GLY 52 CO 0.08 0.06 -0.04 0.07 0.00 0.00 0.00 176.54 176.71 1i4z h LYS 53 N 0.63 0.12 -0.39 4.80 2.10 -1.19 -1.88 116.57 120.76 1i4z h LYS 53 Ca 0.46 -0.06 0.01 0.00 -2.00 0.00 0.00 60.65 59.06 1i4z h LYS 53 Cb 0.81 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.12 1i4z h LYS 53 CO -0.21 0.54 0.23 1.25 -2.00 0.00 0.00 179.45 179.26 1i4z h HIS 54 N -0.29 0.43 -0.36 0.07 6.17 0.25 0.45 115.15 121.87 1i4z h HIS 54 Ca 0.01 0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.15 1i4z h HIS 54 Cb 0.51 -0.14 -0.04 0.00 2.52 0.00 0.00 27.41 30.26 1i4z h HIS 54 CO 0.08 0.26 0.13 0.74 0.71 0.00 0.00 177.93 179.84 1i4z h PHE 55 N 0.47 0.22 -0.18 5.26 0.04 -0.00 0.15 116.94 122.90 1i4z h PHE 55 Ca 0.15 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 1i4z h PHE 55 Cb -0.00 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1i4z h PHE 55 CO -0.07 0.09 0.02 1.25 -0.60 0.00 0.00 178.31 179.00 1i4z h LEU 56 N 0.28 0.31 -1.17 1.54 5.85 -0.83 -1.65 115.31 119.64 1i4z h LEU 56 Ca 0.16 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1i4z h LEU 56 Cb 0.14 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1i4z h LEU 56 CO -0.17 0.51 0.57 0.78 -0.34 0.00 0.00 178.44 179.80 1i4z h ASN 57 N 0.09 0.90 1.13 1.25 -0.26 0.21 0.11 115.58 119.01 1i4z h ASN 57 Ca 0.05 -0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.70 1i4z h ASN 57 Cb 0.34 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1i4z h ASN 57 CO 0.01 0.60 -0.45 -0.08 -1.06 0.00 0.00 177.43 176.45 1i4z h GLU 58 N 1.04 0.00 0.04 0.81 4.81 -0.63 -2.67 114.58 117.99 1i4z h GLU 58 Ca 0.36 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.37 1i4z h GLU 58 Cb 0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1i4z h GLU 58 CO -0.12 0.45 -1.02 1.96 -0.73 0.00 0.00 179.01 179.55 1i4z h GLN 59 N 0.00 0.18 -0.51 1.92 4.20 -0.20 -2.32 115.11 118.39 1i4z h GLN 59 Ca -0.00 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 1i4z h GLN 59 Cb 1.14 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1i4z h GLN 59 CO 0.06 1.05 -0.04 0.28 -0.67 0.00 0.00 178.83 179.51 1i4z h VAL 60 N 0.08 1.26 -0.28 -0.54 2.07 -0.79 -1.41 116.25 116.64 1i4z h VAL 60 Ca -0.07 -1.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1i4z h VAL 60 Cb 1.72 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1i4z h VAL 60 CO 0.16 0.39 -0.35 -0.07 0.02 0.00 0.00 177.57 177.72 1i4z h LEU 61 N 0.81 0.64 -0.27 2.57 4.07 -1.44 -1.75 115.31 119.94 1i4z h LEU 61 Ca 0.15 -0.27 -0.10 0.00 0.08 0.00 0.00 57.88 57.74 1i4z h LEU 61 Cb 0.54 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 1i4z h LEU 61 CO 0.03 0.94 -0.23 0.24 -1.08 0.00 0.00 178.44 178.34 1i4z h MET 62 N 0.52 0.63 0.00 1.13 2.07 -1.19 -3.15 114.93 114.93 1i4z h MET 62 Ca 0.06 -0.32 -0.04 0.00 -2.07 0.00 0.00 59.70 57.33 1i4z h MET 62 Cb 0.84 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.57 1i4z h MET 62 CO 0.07 0.92 -0.19 1.96 1.07 0.00 0.00 176.91 180.74 1i4z h GLN 63 N 0.35 0.00 -0.16 1.72 4.20 -1.11 0.50 115.11 120.61 1i4z h GLN 63 Ca 0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1i4z h GLN 63 Cb 0.78 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1i4z h GLN 63 CO 0.06 0.19 -0.09 0.00 -0.67 0.00 0.00 178.83 178.32 1i4z h ALA 64 N 1.81 1.56 -0.25 3.87 0.00 -1.27 -1.86 119.26 123.11 1i4z h ALA 64 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1i4z h ALA 64 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1i4z h ALA 64 CO 0.02 0.32 0.00 0.43 0.00 0.00 0.00 179.25 180.02 1i4z n SER 65 N -4.31 3.57 -3.98 0.00 7.64 -1.00 -4.98 113.62 110.55 1i4z n SER 65 Ca -0.01 -2.81 -0.41 0.00 1.01 0.00 0.00 58.87 56.66 1i4z n SER 65 Cb 0.24 -0.47 0.02 0.00 -1.01 0.00 0.00 64.21 62.99 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 -0.38 -0.59 -1.67 1.43 6.02 -0.66 -4.74 117.38 116.79 1i4z n GLN 66 Ca 0.19 0.26 -0.47 0.00 -0.01 0.00 0.00 57.00 56.97 1i4z n GLN 66 Cb 0.78 -2.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.39 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 -4.45 2.24 -0.23 1.08 -0.00 0.17 -4.90 117.16 111.07 1i4z n TYR 67 Ca -0.15 0.26 -0.00 0.00 -0.00 0.00 0.00 57.90 58.00 1i4z n TYR 67 Cb 0.59 -2.54 0.22 0.00 -0.00 0.00 0.00 39.34 37.61 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 6.17 1.02 -0.52 2.98 4.15 -1.89 -3.02 115.11 124.00 1i4z h GLN 68 Ca -0.45 -0.08 -0.16 0.00 0.77 0.00 0.00 58.65 58.72 1i4z h GLN 68 Cb 1.26 -0.22 -0.10 0.00 0.21 0.00 0.00 27.48 28.63 1i4z h GLN 68 CO 0.89 0.70 0.13 1.19 -1.93 0.00 0.00 178.83 179.81 1i4z n PHE 69 N -4.39 1.70 -0.35 3.99 3.01 -1.26 -4.69 117.46 115.47 1i4z n PHE 69 Ca 0.08 -1.26 0.13 0.00 1.01 0.00 0.00 57.45 57.41 1i4z n PHE 69 Cb 0.06 -0.55 0.32 0.00 -0.01 0.00 0.00 39.48 39.30 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 1.87 1.06 0.02 1.38 5.03 -1.92 -2.62 116.97 121.79 1i4z h TYR 70 Ca 0.20 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.54 1i4z h TYR 70 Cb 1.94 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 39.90 1i4z h TYR 70 CO 1.01 0.25 -0.01 -0.44 -1.32 0.00 0.00 178.16 177.65 1i4z h ASP 71 N 0.77 -0.02 -0.29 -2.11 3.32 -1.86 -0.08 116.42 116.14 1i4z h ASP 71 Ca 0.57 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.51 1i4z h ASP 71 Cb 0.88 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1i4z h ASP 71 CO -0.37 0.08 0.13 1.05 -1.72 0.00 0.00 179.24 178.41 1i4z h GLU 72 N -0.13 0.49 -0.20 3.56 4.11 -1.87 -1.05 114.58 119.49 1i4z h GLU 72 Ca -0.00 -0.06 -0.10 0.00 0.07 0.00 0.00 59.36 59.26 1i4z h GLU 72 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1i4z h GLU 72 CO 0.00 0.42 -0.32 1.25 0.07 0.00 0.00 179.01 180.44 1i4z h HIS 73 N 0.49 0.47 -0.13 2.06 2.76 -1.11 -1.39 115.15 118.30 1i4z h HIS 73 Ca 0.12 -0.11 -0.19 0.00 -2.20 0.00 0.00 60.37 57.99 1i4z h HIS 73 Cb 0.12 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1i4z h HIS 73 CO 0.00 0.69 -0.68 -0.22 -1.30 0.00 0.00 177.93 176.42 1i4z h LYS 74 N 0.36 0.56 -0.73 5.26 3.64 -0.24 -2.34 116.57 123.07 1i4z h LYS 74 Ca 0.05 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1i4z h LYS 74 Cb 0.74 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1i4z h LYS 74 CO 0.06 1.04 0.29 0.87 -2.27 0.00 0.00 179.45 179.44 1i4z h LYS 75 N 0.40 1.09 -0.48 1.90 1.79 -0.88 -1.59 116.57 118.80 1i4z h LYS 75 Ca -0.02 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.23 1i4z h LYS 75 Cb 1.26 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 1i4z h LYS 75 CO 0.13 0.89 0.20 0.93 -1.08 0.00 0.00 179.45 180.52 1i4z h GLU 76 N 1.06 0.71 -0.00 3.15 4.39 -1.02 -2.95 114.58 119.93 1i4z h GLU 76 Ca 0.25 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1i4z h GLU 76 Cb 0.21 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1i4z h GLU 76 CO -0.02 0.63 0.00 0.45 -1.16 0.00 0.00 179.01 178.91 1i4z h HIS 77 N 0.63 0.00 -0.53 4.33 3.86 -1.11 -3.07 115.15 119.26 1i4z h HIS 77 Ca 0.16 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.52 1i4z h HIS 77 Cb 0.17 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1i4z h HIS 77 CO 0.00 0.20 0.38 0.93 0.86 0.00 0.00 177.93 180.30 1i4z h GLU 78 N -0.20 0.06 0.17 2.45 5.08 -1.24 -1.27 114.58 119.63 1i4z h GLU 78 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1i4z h GLU 78 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1i4z h GLU 78 CO -0.00 0.04 -0.08 1.15 -1.00 0.00 0.00 179.01 179.12 1i4z h THR 79 N 0.06 0.92 -0.73 1.13 2.02 -1.43 -0.33 112.91 114.55 1i4z h THR 79 Ca 0.25 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1i4z h THR 79 Cb 0.93 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1i4z h THR 79 CO -0.02 0.21 0.38 0.15 0.37 0.00 0.00 175.52 176.61 1i4z h PHE 80 N -0.75 1.00 -0.42 3.16 3.57 -1.38 0.16 116.94 122.28 1i4z h PHE 80 Ca -0.02 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.31 1i4z h PHE 80 Cb 0.52 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1i4z h PHE 80 CO 0.07 0.70 -0.30 0.82 -2.23 0.00 0.00 178.31 177.37 1i4z h ILE 81 N 1.02 1.27 -0.01 1.41 1.08 -1.32 -1.83 117.51 119.13 1i4z h ILE 81 Ca 0.26 -1.47 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 1i4z h ILE 81 Cb 0.05 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1i4z h ILE 81 CO -0.04 0.50 -0.03 -0.74 -0.69 0.00 0.00 178.15 177.14 1i4z h HIS 82 N 0.78 -0.08 -0.86 1.37 2.76 -0.14 -0.12 115.15 118.86 1i4z h HIS 82 Ca 0.08 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.41 1i4z h HIS 82 Cb 0.88 0.04 -0.10 0.00 1.55 0.00 0.00 27.41 29.78 1i4z h HIS 82 CO 0.05 -0.05 0.44 0.00 -1.30 0.00 0.00 177.93 177.07 1i4z h ALA 83 N 0.96 1.31 0.00 5.26 0.00 -0.53 0.26 119.26 126.52 1i4z h ALA 83 Ca 0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1i4z h ALA 83 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1i4z h ALA 83 CO -0.04 -0.11 -0.14 -0.07 0.00 0.00 0.00 179.25 178.88 1i4z h LEU 84 N 0.61 0.00 -1.39 0.00 3.38 -0.68 -1.19 115.31 116.04 1i4z h LEU 84 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1i4z h LEU 84 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1i4z h LEU 84 CO -0.38 0.14 0.00 0.47 0.09 0.00 0.00 178.44 178.76 1i4z n ASP 85 N -3.27 2.11 -2.72 -0.43 10.43 0.80 -3.97 116.55 119.51 1i4z n ASP 85 Ca 0.01 -1.74 -0.06 0.00 2.57 0.00 0.00 54.79 55.57 1i4z n ASP 85 Cb 0.40 -0.08 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 0.63 0.57 -4.69 -2.24 3.02 -0.52 -5.06 115.26 106.97 1i4z n ASN 86 Ca 0.17 -2.43 -0.44 0.00 -0.03 0.00 0.00 54.58 51.85 1i4z n ASN 86 Cb 0.42 -0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.46 2.50 0.34 3.10 -0.00 -0.50 -4.87 117.44 117.56 1i4z n TRP 87 Ca 0.03 0.12 0.04 0.00 -0.00 0.00 0.00 57.50 57.70 1i4z n TRP 87 Cb 0.83 -2.62 -0.05 0.00 -0.00 0.00 0.00 31.31 29.47 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 4.01 3.63 -0.02 5.87 -0.00 -1.26 -5.01 118.16 125.38 1i4z n LYS 88 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1i4z n LYS 88 Cb 0.32 -0.94 0.00 0.00 -0.00 0.00 0.00 35.03 34.41 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 1.32 0.34 3.57 2.58 0.00 -1.26 -4.99 105.19 106.75 1i4z n GLY 89 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1i4z n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i4z s ASP 90 N -2.61 5.87 0.43 1.61 3.68 -1.26 -4.67 116.67 119.72 1i4z s ASP 90 Ca 0.00 -1.77 0.28 0.00 2.13 0.00 0.00 52.55 53.19 1i4z s ASP 90 Cb 0.00 -2.58 0.93 0.00 -1.45 0.00 0.00 42.92 39.82 1i4z s ASP 90 CO 0.00 -2.16 1.80 1.62 0.13 0.00 0.00 175.17 176.56 1i4z h VAL 91 N 6.20 0.00 -0.05 1.11 3.04 -1.94 -2.99 116.25 121.62 1i4z h VAL 91 Ca 0.28 -0.61 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 1i4z h VAL 91 Cb 0.93 1.56 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1i4z h VAL 91 CO 1.33 0.00 -0.03 0.11 -1.01 0.00 0.00 177.57 177.97 1i4z h LYS 92 N 0.00 0.11 -0.68 4.17 1.57 -1.99 -0.77 116.57 118.98 1i4z h LYS 92 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1i4z h LYS 92 Cb 0.66 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1i4z h LYS 92 CO 0.00 0.53 0.36 2.35 -0.57 0.00 0.00 179.45 182.12 1i4z h TRP 93 N -0.30 0.93 -0.63 -1.35 7.01 -1.94 -0.58 115.95 119.08 1i4z h TRP 93 Ca 0.01 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 1i4z h TRP 93 Cb 0.50 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1i4z h TRP 93 CO 0.08 0.66 0.09 0.00 -2.79 0.00 0.00 178.44 176.47 1i4z h ALA 94 N 1.45 0.84 -0.50 2.65 0.00 -1.45 0.45 119.26 122.69 1i4z h ALA 94 Ca 0.24 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1i4z h ALA 94 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1i4z h ALA 94 CO -0.04 0.61 0.02 0.87 0.00 0.00 0.00 179.25 180.72 1i4z h LYS 95 N 0.96 0.87 0.00 0.00 1.57 -0.30 -2.49 116.57 117.19 1i4z h LYS 95 Ca 0.19 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1i4z h LYS 95 Cb 0.46 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1i4z h LYS 95 CO 0.02 0.90 -0.61 0.66 -0.57 0.00 0.00 179.45 179.84 1i4z h SER 96 N 0.74 0.00 -0.02 0.86 4.64 -0.94 -3.09 113.55 115.73 1i4z h SER 96 Ca 0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1i4z h SER 96 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1i4z h SER 96 CO 0.02 0.59 -0.01 -0.25 -0.87 0.00 0.00 176.83 176.32 1i4z h TRP 97 N 0.00 0.05 -0.73 4.77 7.01 -0.00 -2.68 115.95 124.37 1i4z h TRP 97 Ca -0.01 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 1i4z h TRP 97 Cb 1.46 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 28.47 1i4z h TRP 97 CO 0.00 0.40 0.28 -0.92 -2.79 0.00 0.00 178.44 175.41 1i4z h TYR 98 N -0.31 1.12 0.03 2.65 3.20 -1.54 0.27 116.97 122.39 1i4z h TYR 98 Ca 0.01 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 1i4z h TYR 98 Cb 0.38 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1i4z h TYR 98 CO 0.05 0.86 -0.01 0.28 -1.64 0.00 0.00 178.16 177.70 1i4z h VAL 99 N 1.05 0.99 -0.47 1.81 2.07 -1.58 -1.86 116.25 118.26 1i4z h VAL 99 Ca 0.24 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 1i4z h VAL 99 Cb 0.23 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1i4z h VAL 99 CO -0.02 0.01 0.07 0.78 0.02 0.00 0.00 177.57 178.43 1i4z h ASN 100 N -0.05 0.76 -0.40 0.57 4.21 -1.28 -2.33 115.58 117.05 1i4z h ASN 100 Ca -0.00 -0.27 0.07 0.00 1.21 0.00 0.00 56.30 57.31 1i4z h ASN 100 Cb 0.04 -0.20 -0.06 0.00 -1.12 0.00 0.00 38.32 36.98 1i4z h ASN 100 CO 0.01 0.83 0.04 -0.74 -1.29 0.00 0.00 177.43 176.28 1i4z h HIS 101 N 0.65 0.06 0.72 1.19 2.76 -0.87 0.56 115.15 120.22 1i4z h HIS 101 Ca 0.14 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1i4z h HIS 101 Cb 0.40 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1i4z h HIS 101 CO 0.03 -0.03 -0.38 0.82 -1.30 0.00 0.00 177.93 177.06 1i4z h ILE 102 N 0.16 0.22 0.00 6.26 2.04 -1.16 0.37 117.51 125.40 1i4z h ILE 102 Ca 0.20 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 1i4z h ILE 102 Cb 0.26 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1i4z h ILE 102 CO -0.29 0.00 -0.13 0.11 0.00 0.00 0.00 178.15 177.84 1i4z h LYS 103 N -1.02 0.00 0.00 2.37 1.57 -1.09 0.12 116.57 118.52 1i4z h LYS 103 Ca -0.10 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.43 1i4z h LYS 103 Cb 0.80 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 1i4z h LYS 103 CO 0.13 0.13 -1.89 0.25 -0.57 0.00 0.00 179.45 177.50 1i4z n THR 104 N -3.32 0.89 -0.03 -0.16 -2.24 0.19 -4.50 114.28 105.10 1i4z n THR 104 Ca -0.00 -0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1i4z n THR 104 Cb 0.36 -1.37 -0.13 0.00 -2.10 0.00 0.00 70.33 67.08 1i4z n THR 104 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i4z n ILE 105 N -3.33 1.70 -0.03 2.28 2.08 0.22 -4.02 119.36 118.26 1i4z n ILE 105 Ca -0.30 -0.62 -0.15 0.00 0.56 0.00 0.00 62.75 62.24 1i4z n ILE 105 Cb 0.76 -1.66 -0.04 0.00 -0.75 0.00 0.00 39.64 37.96 1i4z n ILE 105 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1i4z h ASP 106 N 0.03 0.87 -0.38 4.38 3.32 -0.05 -3.21 116.42 121.39 1i4z h ASP 106 Ca -0.47 -0.53 0.11 0.00 0.02 0.00 0.00 57.03 56.17 1i4z h ASP 106 Cb 1.99 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 41.27 1i4z h ASP 106 CO 0.03 1.31 0.29 -0.26 -1.72 0.00 0.00 179.24 178.89 1i4z h PHE 107 N 0.54 0.00 -0.33 4.55 0.05 -1.17 -2.30 116.94 118.28 1i4z h PHE 107 Ca -0.02 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.74 1i4z h PHE 107 Cb 1.28 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.22 1i4z h PHE 107 CO 0.07 0.00 0.09 0.87 -0.18 0.00 0.00 178.31 179.16 1i4z h LYS 108 N 0.00 0.48 0.00 1.51 1.57 -1.69 -2.02 116.57 116.42 1i4z h LYS 108 Ca 0.18 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1i4z h LYS 108 Cb 0.75 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1i4z h LYS 108 CO -0.00 0.44 0.00 2.48 -0.57 0.00 0.00 179.45 181.80 1i4z n TYR 109 N -4.36 0.00 -1.68 -1.35 0.18 -0.86 -4.77 117.16 104.31 1i4z n TYR 109 Ca 0.02 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.34 1i4z n TYR 109 Cb 0.17 -0.03 -0.04 0.00 -0.38 0.00 0.00 39.34 39.06 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 -1.03 2.36 -0.32 -3.48 5.02 -0.76 -0.78 118.16 119.17 1i4z n LYS 110 Ca 0.20 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1i4z n LYS 110 Cb 0.11 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.43 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 3.94 1.56 1.04 0.72 0.00 -1.26 -4.81 105.19 106.38 1i4z n GLY 111 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.00 2.36 0.00 1.61 5.02 0.04 -5.27 118.16 119.92 1i4z n LYS 112 Ca 0.00 -2.11 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 1i4z n LYS 112 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1i4z n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32