#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jiz s PHE 1 N 0.00 2.89 0.12 1.61 -0.12 -1.26 -0.07 117.98 121.15 1jiz s PHE 1 Ca 0.00 1.57 0.08 0.00 -0.05 0.00 0.00 56.93 58.53 1jiz s PHE 1 Cb 0.00 -3.20 -0.04 0.00 -0.63 0.00 0.00 43.02 39.15 1jiz s PHE 1 CO 0.00 -1.18 -0.19 1.03 -0.05 0.00 0.00 175.22 174.83 1jiz s ARG 2 N -3.08 1.15 0.08 1.99 0.52 -1.22 -4.92 118.95 113.46 1jiz s ARG 2 Ca 0.68 -1.23 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 1jiz s ARG 2 Cb -0.22 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 1jiz s ARG 2 CO 0.26 0.29 0.05 -1.83 0.02 0.00 0.00 175.30 174.08 1jiz s GLU 3 N -2.24 2.76 0.58 3.54 -1.05 -1.26 0.84 118.70 121.87 1jiz s GLU 3 Ca 0.09 -0.73 -0.20 0.00 -0.15 0.00 0.00 54.97 53.97 1jiz s GLU 3 Cb -0.08 -2.66 -0.03 0.00 -0.44 0.00 0.00 34.13 30.91 1jiz s GLU 3 CO 0.05 0.56 1.32 -1.64 0.95 0.00 0.00 175.26 176.50 1jiz s MET 4 N -2.29 2.94 0.18 -4.83 -1.94 -0.79 -4.48 119.30 108.09 1jiz s MET 4 Ca 0.27 2.14 -0.33 0.00 -1.71 0.00 0.00 55.69 56.06 1jiz s MET 4 Cb -0.12 -2.10 -0.14 0.00 2.01 0.00 0.00 34.83 34.48 1jiz s MET 4 CO 0.20 -1.32 1.47 -0.35 -0.01 0.00 0.00 175.02 175.00 1jiz n PRO 5 N -1.36 1.96 0.00 2.03 -0.04 -1.26 -0.97 135.00 135.36 1jiz n PRO 5 Ca 0.12 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1jiz n PRO 5 Cb 0.46 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1jiz n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jiz n GLY 6 N 2.77 3.28 2.53 0.55 0.00 -1.26 -4.50 105.19 108.55 1jiz n GLY 6 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1jiz n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiz n GLY 7 N -1.25 0.06 3.74 -0.02 0.00 -0.14 -4.98 105.19 102.60 1jiz n GLY 7 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1jiz n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jiz s PRO 8 N -5.30 4.37 0.05 1.61 0.04 -1.26 -5.03 135.00 129.48 1jiz s PRO 8 Ca 0.18 2.11 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 1jiz s PRO 8 Cb -0.08 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1jiz s PRO 8 CO 0.41 -0.25 0.07 0.14 0.04 0.00 0.00 177.00 177.41 1jiz s VAL 9 N -0.16 0.16 0.13 -0.36 -7.23 -1.26 -4.35 120.40 107.33 1jiz s VAL 9 Ca 0.55 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 1jiz s VAL 9 Cb -0.38 -1.10 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 1jiz s VAL 9 CO 0.41 -0.71 1.06 0.26 -0.31 0.00 0.00 175.10 175.82 1jiz s TRP 10 N -3.10 3.64 -2.28 2.82 0.52 -1.26 -4.84 118.94 114.43 1jiz s TRP 10 Ca -0.01 1.62 0.20 0.00 0.02 0.00 0.00 56.10 57.94 1jiz s TRP 10 Cb 0.02 -3.22 0.65 0.00 -1.15 0.00 0.00 33.47 29.76 1jiz s TRP 10 CO -0.07 -0.42 1.49 0.54 0.02 0.00 0.00 176.95 178.51 1jiz n ARG 11 N 2.85 1.88 -4.38 4.98 1.74 -1.26 -4.88 116.66 117.59 1jiz n ARG 11 Ca 0.04 -1.33 -0.20 0.00 -0.77 0.00 0.00 57.85 55.59 1jiz n ARG 11 Cb 0.47 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 1jiz n ARG 11 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1jiz s LYS 12 N -1.71 1.43 -0.19 5.56 -2.85 -1.26 -5.06 119.74 115.66 1jiz s LYS 12 Ca 0.32 -1.67 0.17 0.00 -1.00 0.00 0.00 55.97 53.79 1jiz s LYS 12 Cb 0.18 -1.18 -0.23 0.00 -2.06 0.00 0.00 37.83 34.53 1jiz s LYS 12 CO 0.26 0.15 0.07 0.72 0.10 0.00 0.00 175.35 176.64 1jiz n HIS 13 N -0.47 0.00 -2.81 1.78 8.25 -1.26 -4.80 115.22 115.91 1jiz n HIS 13 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1jiz n HIS 13 Cb 0.61 -0.94 -0.04 0.00 1.12 0.00 0.00 29.99 30.75 1jiz n HIS 13 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1jiz s TYR 14 N -2.46 2.63 -0.07 4.41 4.12 -1.26 -0.89 117.35 123.82 1jiz s TYR 14 Ca -0.09 -0.51 0.02 0.00 0.02 0.00 0.00 57.07 56.51 1jiz s TYR 14 Cb 0.06 -4.35 -0.03 0.00 -1.52 0.00 0.00 41.96 36.12 1jiz s TYR 14 CO 0.78 -1.71 -0.11 0.42 0.02 0.00 0.00 175.55 174.95 1jiz s ILE 15 N 4.29 3.35 0.08 2.71 1.01 -0.24 -5.02 121.20 127.38 1jiz s ILE 15 Ca 0.25 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1jiz s ILE 15 Cb -0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1jiz s ILE 15 CO 0.10 0.58 -0.06 0.42 0.00 0.00 0.00 174.94 175.98 1jiz s THR 16 N -0.54 3.67 0.09 2.92 -4.23 -1.26 -0.72 115.64 115.57 1jiz s THR 16 Ca 0.08 -1.07 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1jiz s THR 16 Cb -0.12 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1jiz s THR 16 CO 0.02 0.17 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.47 1jiz s TYR 17 N -1.21 0.91 -0.06 3.99 1.13 -0.60 -0.83 117.35 120.67 1jiz s TYR 17 Ca 0.22 -0.74 -0.05 0.00 -1.41 0.00 0.00 57.07 55.09 1jiz s TYR 17 Cb -0.11 -0.52 0.02 0.00 -1.10 0.00 0.00 41.96 40.25 1jiz s TYR 17 CO 0.14 -0.08 0.17 0.50 -2.51 0.00 0.00 175.55 173.77 1jiz s ARG 18 N -3.04 0.17 -0.47 -3.49 3.52 -0.32 -1.23 118.95 114.09 1jiz s ARG 18 Ca 0.05 0.27 -0.22 0.00 -0.13 0.00 0.00 55.73 55.71 1jiz s ARG 18 Cb -0.01 0.03 0.03 0.00 -1.56 0.00 0.00 34.95 33.45 1jiz s ARG 18 CO -0.02 -0.06 0.73 0.42 -0.81 0.00 0.00 175.30 175.56 1jiz s ILE 19 N 0.37 4.71 0.22 4.11 1.01 -1.26 -0.72 121.20 129.65 1jiz s ILE 19 Ca -0.02 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 1jiz s ILE 19 Cb -0.04 -4.31 0.18 0.00 0.01 0.00 0.00 42.46 38.30 1jiz s ILE 19 CO -0.02 -0.76 1.87 -1.13 0.00 0.00 0.00 174.94 174.90 1jiz h ASN 20 N 9.00 0.98 -5.01 3.58 -1.24 -0.76 -3.47 115.58 118.67 1jiz h ASN 20 Ca -0.26 -0.05 0.04 0.00 0.71 0.00 0.00 56.30 56.74 1jiz h ASN 20 Cb 1.09 -0.25 -0.07 0.00 0.73 0.00 0.00 38.32 39.82 1jiz h ASN 20 CO 0.96 0.74 0.21 0.54 -1.29 0.00 0.00 177.43 178.59 1jiz s ASN 21 N -6.03 -0.32 -0.04 1.15 4.22 -1.25 -5.06 114.94 107.60 1jiz s ASN 21 Ca -0.13 -0.48 0.05 0.00 -2.14 0.00 0.00 52.86 50.16 1jiz s ASN 21 Cb 0.16 0.69 -0.02 0.00 1.28 0.00 0.00 41.25 43.36 1jiz s ASN 21 CO 0.80 -1.25 -0.17 -0.31 -2.04 0.00 0.00 177.10 174.13 1jiz s TYR 22 N -3.88 2.61 0.28 1.54 1.51 -1.26 -4.53 117.35 113.63 1jiz s TYR 22 Ca 0.09 -0.24 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 1jiz s TYR 22 Cb -0.05 -1.60 -0.10 0.00 -0.11 0.00 0.00 41.96 40.10 1jiz s TYR 22 CO 0.02 0.12 1.15 -0.08 -1.11 0.00 0.00 175.55 175.65 1jiz s THR 23 N -0.67 3.33 -1.01 -0.71 -1.32 -1.26 -4.92 115.64 109.08 1jiz s THR 23 Ca 0.10 1.33 0.22 0.00 -1.21 0.00 0.00 61.69 62.13 1jiz s THR 23 Cb -0.11 -3.84 0.19 0.00 -1.51 0.00 0.00 72.50 67.23 1jiz s THR 23 CO 0.00 0.31 1.71 -0.81 -2.21 0.00 0.00 174.62 173.62 1jiz n PRO 24 N 1.20 0.01 0.06 7.08 -0.04 -1.26 -3.45 135.00 138.60 1jiz n PRO 24 Ca -0.01 0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1jiz n PRO 24 Cb 0.44 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.64 1jiz n PRO 24 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jiz h ASP 25 N 0.00 0.36 -1.86 3.54 3.32 -1.91 -3.45 116.42 116.43 1jiz h ASP 25 Ca 0.00 -0.12 -0.58 0.00 0.02 0.00 0.00 57.03 56.35 1jiz h ASP 25 Cb 0.38 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 39.73 1jiz h ASP 25 CO 0.00 0.64 -0.59 -0.04 -1.72 0.00 0.00 179.24 177.53 1jiz s MET 26 N -4.43 2.14 0.20 3.56 -1.94 -1.22 -4.91 119.30 112.69 1jiz s MET 26 Ca -0.06 -1.75 -0.30 0.00 -1.71 0.00 0.00 55.69 51.87 1jiz s MET 26 Cb 0.14 -1.96 -0.08 0.00 2.01 0.00 0.00 34.83 34.94 1jiz s MET 26 CO 0.77 0.09 1.01 1.21 -0.01 0.00 0.00 175.02 178.09 1jiz s ASN 27 N -3.76 7.47 0.30 3.03 2.47 -1.26 -4.86 114.94 118.32 1jiz s ASN 27 Ca 0.36 1.99 0.01 0.00 0.42 0.00 0.00 52.86 55.64 1jiz s ASN 27 Cb 0.01 -2.61 0.73 0.00 -1.45 0.00 0.00 41.25 37.93 1jiz s ASN 27 CO 0.20 -0.03 1.60 -0.09 -3.72 0.00 0.00 177.10 175.06 1jiz h ARG 28 N 4.71 0.07 0.00 0.43 2.43 -1.97 0.55 114.38 120.59 1jiz h ARG 28 Ca -0.45 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 1jiz h ARG 28 Cb 1.21 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1jiz h ARG 28 CO 0.70 0.05 -0.47 1.05 -1.51 0.00 0.00 179.97 179.78 1jiz h GLU 29 N 0.07 0.00 -0.20 0.20 9.09 -2.00 -2.58 114.58 119.17 1jiz h GLU 29 Ca 0.57 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.87 1jiz h GLU 29 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 1jiz h GLU 29 CO -0.81 0.47 -0.36 -0.44 0.05 0.00 0.00 179.01 177.92 1jiz h ASP 30 N 0.00 0.44 -0.18 3.06 3.45 -1.29 -0.80 116.42 121.10 1jiz h ASP 30 Ca -0.00 -0.18 -0.02 0.00 0.43 0.00 0.00 57.03 57.26 1jiz h ASP 30 Cb 1.01 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.65 1jiz h ASP 30 CO 0.06 0.77 0.03 0.58 -1.57 0.00 0.00 179.24 179.11 1jiz h VAL 31 N 0.36 1.22 -0.71 -1.35 2.07 -1.17 0.20 116.25 116.87 1jiz h VAL 31 Ca 0.04 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1jiz h VAL 31 Cb 0.80 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1jiz h VAL 31 CO 0.06 0.22 0.45 0.44 0.02 0.00 0.00 177.57 178.77 1jiz h ASP 32 N 0.09 0.75 0.47 0.57 3.32 -1.23 -1.82 116.42 118.56 1jiz h ASP 32 Ca 0.05 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1jiz h ASP 32 Cb 0.31 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1jiz h ASP 32 CO 0.00 0.53 -0.23 0.22 -1.72 0.00 0.00 179.24 178.04 1jiz h TYR 33 N 0.89 -0.59 -0.29 4.55 5.03 -0.91 -0.20 116.97 125.45 1jiz h TYR 33 Ca 0.28 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.64 1jiz h TYR 33 Cb -0.01 0.20 -0.08 0.00 1.55 0.00 0.00 36.73 38.38 1jiz h TYR 33 CO -0.04 -0.37 -0.40 0.00 -1.32 0.00 0.00 178.16 176.04 1jiz h ALA 34 N -0.10 -0.44 -0.54 1.82 0.00 -0.65 0.17 119.26 119.52 1jiz h ALA 34 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jiz h ALA 34 Cb 0.49 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1jiz h ALA 34 CO 0.11 -0.86 0.21 0.82 0.00 0.00 0.00 179.25 179.53 1jiz h ILE 35 N -0.38 1.22 -0.25 0.00 5.03 -1.29 -0.73 117.51 121.11 1jiz h ILE 35 Ca 0.12 -0.69 0.03 0.00 -0.12 0.00 0.00 64.86 64.20 1jiz h ILE 35 Cb 0.59 0.66 -0.03 0.00 -3.03 0.00 0.00 36.82 35.01 1jiz h ILE 35 CO -0.49 0.26 0.07 -0.09 -0.68 0.00 0.00 178.15 177.22 1jiz h ARG 36 N 0.73 0.17 -0.14 2.37 2.43 -0.53 -0.70 114.38 118.71 1jiz h ARG 36 Ca 0.18 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1jiz h ARG 36 Cb 0.20 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1jiz h ARG 36 CO -0.01 0.11 -0.23 0.87 -1.51 0.00 0.00 179.97 179.20 1jiz h LYS 37 N 0.18 0.25 -0.42 0.20 1.79 -0.84 -1.65 116.57 116.07 1jiz h LYS 37 Ca 0.11 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 1jiz h LYS 37 Cb 0.10 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1jiz h LYS 37 CO -0.13 0.48 -0.13 0.00 -1.08 0.00 0.00 179.45 178.59 1jiz h ALA 38 N 1.53 0.59 -0.49 3.86 0.00 -0.38 -2.35 119.26 122.03 1jiz h ALA 38 Ca 0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1jiz h ALA 38 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1jiz h ALA 38 CO 0.04 0.49 -0.04 0.74 0.00 0.00 0.00 179.25 180.48 1jiz h PHE 39 N 0.66 0.98 -0.85 0.00 -1.00 -0.91 -2.87 116.94 112.95 1jiz h PHE 39 Ca 0.10 -0.18 0.10 0.00 2.81 0.00 0.00 57.97 60.80 1jiz h PHE 39 Cb 0.67 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.92 1jiz h PHE 39 CO 0.05 0.93 0.55 0.37 -1.61 0.00 0.00 178.31 178.61 1jiz h GLN 40 N 0.75 0.77 -0.79 1.51 4.15 -1.15 0.12 115.11 120.47 1jiz h GLN 40 Ca 0.13 -0.05 0.17 0.00 0.77 0.00 0.00 58.65 59.68 1jiz h GLN 40 Cb 0.57 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1jiz h GLN 40 CO 0.03 0.51 0.53 0.28 -1.93 0.00 0.00 178.83 178.25 1jiz h VAL 41 N 0.79 0.74 0.00 2.39 2.07 -1.18 -0.91 116.25 120.15 1jiz h VAL 41 Ca 0.40 -0.12 -0.21 0.00 0.82 0.00 0.00 66.70 67.59 1jiz h VAL 41 Cb 0.48 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1jiz h VAL 41 CO -0.17 0.07 -1.55 0.79 0.02 0.00 0.00 177.57 176.73 1jiz n TRP 42 N -4.47 0.93 -0.20 1.57 7.02 -0.06 -4.11 117.44 118.13 1jiz n TRP 42 Ca 0.16 0.32 -0.10 0.00 -1.02 0.00 0.00 57.50 56.86 1jiz n TRP 42 Cb 0.61 -1.10 0.02 0.00 -2.42 0.00 0.00 31.31 28.41 1jiz n TRP 42 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1jiz h SER 43 N 0.00 1.05 -0.25 -0.99 0.02 -0.37 -3.06 113.55 109.94 1jiz h SER 43 Ca -0.21 -0.33 0.07 0.00 -0.84 0.00 0.00 61.79 60.48 1jiz h SER 43 Cb 1.73 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 1jiz h SER 43 CO 0.05 1.13 0.24 0.78 -1.14 0.00 0.00 176.83 177.89 1jiz h ASN 44 N 0.94 0.00 -0.14 3.07 -0.26 -1.36 -2.76 115.58 115.07 1jiz h ASN 44 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1jiz h ASN 44 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1jiz h ASN 44 CO 0.04 0.00 0.00 1.33 -1.06 0.00 0.00 177.43 177.74 1jiz n VAL 45 N -3.98 1.46 -4.06 2.81 0.24 -1.16 -5.04 118.33 108.59 1jiz n VAL 45 Ca 0.03 -1.47 -0.11 0.00 -2.04 0.00 0.00 64.34 60.75 1jiz n VAL 45 Cb 0.38 0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.87 1jiz n VAL 45 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1jiz s THR 46 N -1.79 0.00 -2.01 3.34 -4.23 -1.04 -4.69 115.64 105.21 1jiz s THR 46 Ca 0.21 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 1jiz s THR 46 Cb 0.16 -2.39 0.15 0.00 1.34 0.00 0.00 72.50 71.76 1jiz s THR 46 CO 0.06 0.00 1.14 -0.81 -0.54 0.00 0.00 174.62 174.48 1jiz n PRO 47 N -0.41 1.29 -2.78 3.99 -0.04 -1.26 -4.82 135.00 130.97 1jiz n PRO 47 Ca -0.00 -0.44 -0.38 0.00 -0.04 0.00 0.00 63.50 62.63 1jiz n PRO 47 Cb 0.63 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 1jiz n PRO 47 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jiz s LEU 48 N -1.05 4.49 -0.09 1.53 1.43 -1.26 -4.83 118.68 118.90 1jiz s LEU 48 Ca 0.10 1.88 0.01 0.00 -1.03 0.00 0.00 54.13 55.09 1jiz s LEU 48 Cb 0.05 -3.81 0.02 0.00 0.03 0.00 0.00 46.19 42.48 1jiz s LEU 48 CO 0.07 0.04 -0.09 -0.54 0.23 0.00 0.00 176.35 176.07 1jiz s LYS 49 N -1.64 1.48 -0.13 1.70 1.02 -0.07 -4.53 119.74 117.57 1jiz s LYS 49 Ca 0.46 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 56.13 1jiz s LYS 49 Cb -0.22 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 35.65 1jiz s LYS 49 CO 0.27 -0.13 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.48 1jiz s PHE 50 N 1.23 3.04 -0.09 3.18 0.08 -1.26 -1.08 117.98 123.07 1jiz s PHE 50 Ca -0.04 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.84 1jiz s PHE 50 Cb -0.14 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1jiz s PHE 50 CO -0.03 0.09 -0.12 0.45 -0.10 0.00 0.00 175.22 175.51 1jiz s SER 51 N 0.04 2.12 0.16 1.36 0.15 0.10 -4.99 113.70 112.63 1jiz s SER 51 Ca 0.00 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.01 1jiz s SER 51 Cb -0.13 -0.93 -0.07 0.00 -1.71 0.00 0.00 66.02 63.17 1jiz s SER 51 CO 0.03 -0.00 1.01 -0.75 1.20 0.00 0.00 173.24 174.72 1jiz s LYS 52 N 1.00 4.69 0.10 5.44 2.20 -1.26 -1.56 119.74 130.35 1jiz s LYS 52 Ca -0.07 1.56 0.05 0.00 -0.36 0.00 0.00 55.97 57.15 1jiz s LYS 52 Cb -0.15 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1jiz s LYS 52 CO -0.01 0.22 -0.14 0.96 -0.36 0.00 0.00 175.35 176.02 1jiz s ILE 53 N -0.31 1.22 -0.27 5.43 -4.36 -0.37 -4.92 121.20 117.62 1jiz s ILE 53 Ca 0.47 -1.54 0.13 0.00 -0.26 0.00 0.00 60.65 59.45 1jiz s ILE 53 Cb -0.26 -1.34 -0.18 0.00 1.25 0.00 0.00 42.46 41.93 1jiz s ILE 53 CO 0.32 -0.35 0.41 0.59 0.24 0.00 0.00 174.94 176.16 1jiz n ASN 54 N 0.84 1.35 -4.02 4.36 5.03 -1.26 -4.42 115.26 117.15 1jiz n ASN 54 Ca -0.18 -0.34 -0.09 0.00 0.87 0.00 0.00 54.58 54.84 1jiz n ASN 54 Cb 0.56 1.36 -0.11 0.00 -1.02 0.00 0.00 39.78 40.57 1jiz n ASN 54 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1jiz s THR 55 N -2.65 0.20 0.00 3.41 -4.23 -1.26 -5.04 115.64 106.07 1jiz s THR 55 Ca -0.01 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1jiz s THR 55 Cb 0.09 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1jiz s THR 55 CO 0.56 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1jiz n GLY 56 N 1.17 -3.88 3.59 3.99 0.00 -1.26 -4.90 105.19 103.90 1jiz n GLY 56 Ca -0.21 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.39 1jiz n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jiz s MET 57 N -0.92 3.89 0.38 1.61 -1.94 -1.26 -5.07 119.30 115.99 1jiz s MET 57 Ca 0.00 -0.00 -0.02 0.00 -1.71 0.00 0.00 55.69 53.96 1jiz s MET 57 Cb 0.00 -3.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 1jiz s MET 57 CO 0.00 -0.39 0.61 0.00 -0.01 0.00 0.00 175.02 175.23 1jiz s ALA 58 N 2.17 3.61 0.16 3.03 0.00 -1.26 -5.00 121.76 124.47 1jiz s ALA 58 Ca 0.16 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 1jiz s ALA 58 Cb -0.16 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.71 1jiz s ALA 58 CO 0.11 -0.08 1.48 -0.44 0.00 0.00 0.00 175.76 176.83 1jiz h ASP 59 N 0.71 0.89 -3.11 0.00 3.32 -1.35 -3.42 116.42 113.45 1jiz h ASP 59 Ca -0.49 -0.43 -0.67 0.00 0.02 0.00 0.00 57.03 55.46 1jiz h ASP 59 Cb 1.21 -0.25 -0.35 0.00 0.22 0.00 0.00 39.33 40.16 1jiz h ASP 59 CO 0.62 1.20 -0.86 -0.63 -1.72 0.00 0.00 179.24 177.85 1jiz s ILE 60 N -4.25 2.05 -0.17 0.35 1.01 -0.29 -4.54 121.20 115.34 1jiz s ILE 60 Ca -0.10 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1jiz s ILE 60 Cb 0.11 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1jiz s ILE 60 CO 0.87 0.50 0.06 -0.22 0.00 0.00 0.00 174.94 176.15 1jiz s LEU 61 N 1.28 3.84 -0.23 2.97 2.96 -1.26 -1.17 118.68 127.08 1jiz s LEU 61 Ca 0.04 0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1jiz s LEU 61 Cb -0.13 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1jiz s LEU 61 CO -0.12 0.20 0.09 -0.69 -1.32 0.00 0.00 176.35 174.51 1jiz s VAL 62 N 0.23 4.74 0.00 1.68 1.01 0.11 -0.97 120.40 127.19 1jiz s VAL 62 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1jiz s VAL 62 Cb -0.12 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1jiz s VAL 62 CO 0.00 0.37 0.05 0.54 0.00 0.00 0.00 175.10 176.06 1jiz s VAL 63 N 1.12 0.07 -0.28 2.92 0.11 -0.46 0.05 120.40 123.93 1jiz s VAL 63 Ca 0.05 -0.61 -0.07 0.00 -2.93 0.00 0.00 61.98 58.43 1jiz s VAL 63 Cb -0.14 -0.27 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1jiz s VAL 63 CO 0.04 -0.33 0.07 -0.36 -3.33 0.00 0.00 175.10 171.19 1jiz s PHE 64 N -1.05 3.12 0.10 1.54 0.40 -1.26 -0.48 117.98 120.35 1jiz s PHE 64 Ca -0.11 -0.85 0.03 0.00 -0.60 0.00 0.00 56.93 55.39 1jiz s PHE 64 Cb -0.07 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1jiz s PHE 64 CO 0.00 -0.53 -0.08 0.00 0.70 0.00 0.00 175.22 175.31 1jiz s ALA 65 N 1.52 1.03 -0.04 5.36 0.00 -0.24 -4.80 121.76 124.59 1jiz s ALA 65 Ca 0.04 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.78 1jiz s ALA 65 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1jiz s ALA 65 CO 0.02 -0.15 -0.19 0.50 0.00 0.00 0.00 175.76 175.95 1jiz s ARG 66 N -3.34 2.35 1.50 0.00 3.52 -1.26 0.09 118.95 121.82 1jiz s ARG 66 Ca 0.09 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 1jiz s ARG 66 Cb 0.01 -2.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 1jiz s ARG 66 CO -0.02 0.60 0.00 0.41 -0.81 0.00 0.00 175.30 175.48 1jiz n GLY 67 N 2.36 2.10 3.66 8.12 0.00 -1.26 -4.26 105.19 115.91 1jiz n GLY 67 Ca -0.17 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1jiz n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jiz s ALA 68 N -1.22 3.64 -0.18 4.61 0.00 -1.26 -1.34 121.76 126.01 1jiz s ALA 68 Ca 0.00 0.70 0.18 0.00 0.00 0.00 0.00 51.96 52.84 1jiz s ALA 68 Cb 0.00 -3.68 0.46 0.00 0.00 0.00 0.00 23.12 19.90 1jiz s ALA 68 CO 0.00 -1.27 1.16 -2.39 0.00 0.00 0.00 175.76 173.26 1jiz n HIS 69 N 6.83 0.99 -1.27 0.00 -0.00 -1.26 -5.00 115.22 115.51 1jiz n HIS 69 Ca 0.15 -1.58 0.00 0.00 -0.00 0.00 0.00 57.72 56.30 1jiz n HIS 69 Cb 0.44 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 1jiz n HIS 69 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jiz n GLY 70 N -0.42 0.46 0.06 -1.39 0.00 -1.26 -4.94 105.19 97.70 1jiz n GLY 70 Ca 0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1jiz n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jiz n ASP 71 N 1.83 0.08 -0.64 1.61 3.85 -1.26 -5.00 116.55 117.02 1jiz n ASP 71 Ca 0.00 -1.16 -0.08 0.00 -0.71 0.00 0.00 54.79 52.84 1jiz n ASP 71 Cb 0.18 -0.03 -0.04 0.00 -1.35 0.00 0.00 41.12 39.88 1jiz n ASP 71 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1jiz n PHE 72 N -0.02 0.00 -3.62 2.11 3.01 -1.26 -4.91 117.46 112.76 1jiz n PHE 72 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.19 1jiz n PHE 72 Cb 0.52 -2.12 -0.10 0.00 -0.01 0.00 0.00 39.48 37.77 1jiz n PHE 72 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1jiz n HIS 73 N -2.43 1.93 -2.31 1.38 8.25 -1.26 -5.11 115.22 115.67 1jiz n HIS 73 Ca -0.08 -3.96 -0.39 0.00 -0.26 0.00 0.00 57.72 53.02 1jiz n HIS 73 Cb 0.44 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1jiz n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jiz s ALA 74 N -1.24 3.32 0.66 -1.41 0.00 -1.26 -4.77 121.76 117.06 1jiz s ALA 74 Ca 0.31 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1jiz s ALA 74 Cb 0.03 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1jiz s ALA 74 CO -0.14 -0.43 1.06 -0.06 0.00 0.00 0.00 175.76 176.19 1jiz s PHE 75 N -1.27 3.47 -0.22 0.00 2.99 -0.45 -4.90 117.98 117.60 1jiz s PHE 75 Ca 0.51 1.16 0.14 0.00 0.00 0.00 0.00 56.93 58.74 1jiz s PHE 75 Cb -0.33 -2.90 0.53 0.00 0.00 0.00 0.00 43.02 40.33 1jiz s PHE 75 CO 0.43 -0.94 1.46 -0.40 -0.00 0.00 0.00 175.22 175.77 1jiz n ASP 76 N -2.88 3.50 0.00 1.36 3.85 -1.26 -4.15 116.55 116.97 1jiz n ASP 76 Ca 0.06 -3.26 0.00 0.00 -0.71 0.00 0.00 54.79 50.89 1jiz n ASP 76 Cb 0.56 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 1jiz n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jiz n GLY 77 N -0.70 -1.30 3.68 6.12 0.00 -1.26 -4.83 105.19 106.90 1jiz n GLY 77 Ca 0.26 -1.54 -0.45 0.00 0.00 0.00 0.00 46.02 44.30 1jiz n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jiz n LYS 78 N -1.07 2.21 0.00 1.61 4.81 -1.24 -4.68 118.16 119.80 1jiz n LYS 78 Ca 0.00 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1jiz n LYS 78 Cb 0.00 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 32.52 1jiz n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jiz n GLY 79 N 2.86 -3.31 7.00 3.14 0.00 -1.26 -5.01 105.19 108.60 1jiz n GLY 79 Ca 0.14 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1jiz n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiz n GLY 80 N -0.06 3.66 3.71 -0.02 0.00 -1.26 -4.58 105.19 106.64 1jiz n GLY 80 Ca 0.00 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1jiz n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jiz s ILE 81 N 0.00 2.77 -0.23 -0.61 1.01 -1.26 -4.92 121.20 117.97 1jiz s ILE 81 Ca 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 60.65 61.07 1jiz s ILE 81 Cb 0.00 -3.33 -0.18 0.00 0.01 0.00 0.00 42.46 38.96 1jiz s ILE 81 CO 0.00 0.03 -0.06 0.18 0.00 0.00 0.00 174.94 175.09 1jiz n LEU 82 N 4.20 2.37 -3.74 2.97 4.77 -1.26 -4.73 117.00 121.58 1jiz n LEU 82 Ca 0.14 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.27 1jiz n LEU 82 Cb 0.39 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.53 1jiz n LEU 82 CO 0.61 0.68 0.69 0.00 -1.33 0.00 0.00 177.39 178.04 1jiz s ALA 83 N -2.49 -1.63 0.02 -1.18 0.00 -1.26 -0.73 121.76 114.48 1jiz s ALA 83 Ca -0.33 0.17 -0.22 0.00 0.00 0.00 0.00 51.96 51.59 1jiz s ALA 83 Cb 0.10 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.91 1jiz s ALA 83 CO 0.60 -1.01 0.49 -3.38 0.00 0.00 0.00 175.76 172.46 1jiz s HIS 84 N -3.33 -0.39 0.22 0.00 -3.43 -0.35 -4.99 115.29 103.02 1jiz s HIS 84 Ca 0.11 0.50 -0.01 0.00 -0.80 0.00 0.00 55.06 54.87 1jiz s HIS 84 Cb -0.02 0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 31.38 1jiz s HIS 84 CO 0.01 -0.58 0.17 0.00 -2.00 0.00 0.00 174.74 172.34 1jiz s ALA 85 N -2.05 1.18 0.11 -1.38 0.00 -1.26 -0.14 121.76 118.22 1jiz s ALA 85 Ca -0.08 -1.70 0.10 0.00 0.00 0.00 0.00 51.96 50.28 1jiz s ALA 85 Cb -0.01 1.38 -0.04 0.00 0.00 0.00 0.00 23.12 24.45 1jiz s ALA 85 CO 0.01 -0.62 -0.26 -0.06 0.00 0.00 0.00 175.76 174.84 1jiz s PHE 86 N -4.05 2.25 0.97 0.00 0.40 -0.36 -4.88 117.98 112.31 1jiz s PHE 86 Ca 0.38 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 1jiz s PHE 86 Cb 0.06 -1.25 0.18 0.00 0.51 0.00 0.00 43.02 42.52 1jiz s PHE 86 CO 0.14 0.27 1.11 0.20 0.70 0.00 0.00 175.22 177.64 1jiz s GLY 87 N -1.84 1.65 0.33 4.36 0.00 -1.26 -1.05 107.32 109.50 1jiz s GLY 87 Ca 0.13 0.37 -0.27 0.00 0.00 0.00 0.00 44.72 44.95 1jiz s GLY 87 CO 0.05 0.87 0.91 -1.05 0.00 0.00 0.00 173.10 173.88 1jiz n PRO 88 N -4.38 1.15 0.00 2.90 -0.02 -1.13 -1.62 135.00 131.90 1jiz n PRO 88 Ca 0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1jiz n PRO 88 Cb 0.53 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1jiz n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jiz n GLY 89 N 1.34 2.70 3.92 -1.23 0.00 -1.26 -4.72 105.19 105.94 1jiz n GLY 89 Ca 0.10 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1jiz n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jiz s SER 90 N 0.00 5.19 0.96 1.61 1.04 -1.26 -3.76 113.70 117.49 1jiz s SER 90 Ca 0.00 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1jiz s SER 90 Cb 0.00 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.65 1jiz s SER 90 CO 0.00 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1jiz n GLY 91 N -2.82 0.31 0.25 7.32 0.00 -1.26 -3.10 105.19 105.88 1jiz n GLY 91 Ca 0.06 -0.72 0.17 0.00 0.00 0.00 0.00 46.02 45.53 1jiz n GLY 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jiz h ILE 92 N 0.00 0.00 -1.65 -0.61 2.10 -1.95 -3.45 117.51 111.94 1jiz h ILE 92 Ca 0.00 -0.37 -0.69 0.00 1.08 0.00 0.00 64.86 64.88 1jiz h ILE 92 Cb 0.00 1.30 0.05 0.00 -1.09 0.00 0.00 36.82 37.08 1jiz h ILE 92 CO 0.00 0.00 0.46 0.61 -1.08 0.00 0.00 178.15 178.14 1jiz n GLY 93 N -0.17 0.46 2.20 8.18 0.00 -1.18 -0.96 105.19 113.72 1jiz n GLY 93 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1jiz n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiz n GLY 94 N 2.54 2.27 3.77 -0.02 0.00 -0.22 -4.42 105.19 109.12 1jiz n GLY 94 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1jiz n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jiz s ASP 95 N -2.97 6.25 -0.14 1.61 1.11 -0.13 -4.42 116.67 117.97 1jiz s ASP 95 Ca 0.00 2.25 0.01 0.00 0.18 0.00 0.00 52.55 54.99 1jiz s ASP 95 Cb 0.00 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.41 1jiz s ASP 95 CO 0.00 -0.86 -0.15 0.00 1.18 0.00 0.00 175.17 175.34 1jiz s ALA 96 N -1.58 1.82 -0.09 5.23 0.00 -0.15 -1.22 121.76 125.78 1jiz s ALA 96 Ca 0.63 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1jiz s ALA 96 Cb -0.27 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1jiz s ALA 96 CO 0.33 -0.28 -0.07 -1.01 0.00 0.00 0.00 175.76 174.73 1jiz s HIS 97 N 1.32 2.93 -0.11 0.00 3.76 0.81 -1.36 115.29 122.63 1jiz s HIS 97 Ca 0.01 -0.08 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1jiz s HIS 97 Cb -0.13 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.80 1jiz s HIS 97 CO -0.08 0.23 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.75 1jiz s PHE 98 N -0.54 2.56 -0.12 1.40 0.40 0.36 -1.21 117.98 120.84 1jiz s PHE 98 Ca 0.08 -1.15 -0.29 0.00 -0.60 0.00 0.00 56.93 54.97 1jiz s PHE 98 Cb -0.12 -1.73 -0.06 0.00 0.51 0.00 0.00 43.02 41.62 1jiz s PHE 98 CO 0.02 -0.49 2.01 0.34 0.70 0.00 0.00 175.22 177.79 1jiz s ASP 99 N 0.55 6.02 0.00 1.36 -1.08 0.09 -1.08 116.67 122.53 1jiz s ASP 99 Ca -0.14 2.15 0.17 0.00 -0.52 0.00 0.00 52.55 54.21 1jiz s ASP 99 Cb -0.17 -2.52 0.74 0.00 -1.46 0.00 0.00 42.92 39.50 1jiz s ASP 99 CO 0.04 -1.47 1.52 1.21 0.52 0.00 0.00 175.17 177.00 1jiz n GLU 100 N 8.07 0.05 0.00 4.34 4.07 0.11 -2.11 120.64 135.17 1jiz n GLU 100 Ca 0.24 0.20 0.14 0.00 -0.06 0.00 0.00 57.16 57.68 1jiz n GLU 100 Cb 0.43 -1.50 0.68 0.00 -0.06 0.00 0.00 31.44 31.00 1jiz n GLU 100 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1jiz n ASP 101 N -1.46 0.29 -4.93 4.31 8.00 -1.26 -4.76 116.55 116.73 1jiz n ASP 101 Ca 0.05 -0.47 -0.25 0.00 0.71 0.00 0.00 54.79 54.83 1jiz n ASP 101 Cb 0.18 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1jiz n ASP 101 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jiz s GLU 102 N -2.47 3.28 -0.44 -1.24 0.41 -0.89 -3.70 118.70 113.64 1jiz s GLU 102 Ca 0.30 -0.20 -0.13 0.00 -0.41 0.00 0.00 54.97 54.52 1jiz s GLU 102 Cb 0.20 -2.50 0.07 0.00 -1.78 0.00 0.00 34.13 30.12 1jiz s GLU 102 CO 0.46 -0.20 0.33 0.12 -0.49 0.00 0.00 175.26 175.49 1jiz s PHE 103 N -2.60 3.27 0.01 1.61 5.36 -1.26 -5.00 117.98 119.37 1jiz s PHE 103 Ca 0.47 -1.08 -0.30 0.00 -0.96 0.00 0.00 56.93 55.06 1jiz s PHE 103 Cb -0.10 -3.00 -0.03 0.00 -0.34 0.00 0.00 43.02 39.55 1jiz s PHE 103 CO 0.40 -0.78 1.01 -1.58 -1.46 0.00 0.00 175.22 172.81 1jiz s TRP 104 N 1.57 3.63 0.18 10.12 0.52 -1.26 -0.35 118.94 133.36 1jiz s TRP 104 Ca 0.04 1.64 0.05 0.00 0.02 0.00 0.00 56.10 57.84 1jiz s TRP 104 Cb -0.23 -3.17 -0.05 0.00 -1.15 0.00 0.00 33.47 28.88 1jiz s TRP 104 CO 0.06 -0.21 -0.07 0.95 0.02 0.00 0.00 176.95 177.70 1jiz s THR 105 N 1.01 1.19 -0.50 2.01 -4.23 -0.80 -4.22 115.64 110.10 1jiz s THR 105 Ca 0.53 -2.07 0.24 0.00 -1.18 0.00 0.00 61.69 59.21 1jiz s THR 105 Cb -0.22 -2.03 0.27 0.00 1.34 0.00 0.00 72.50 71.85 1jiz s THR 105 CO 0.28 -0.59 1.56 0.71 -0.54 0.00 0.00 174.62 176.04 1jiz h THR 106 N 2.65 0.00 0.00 3.99 1.35 -1.96 -2.90 112.91 116.05 1jiz h THR 106 Ca -0.37 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1jiz h THR 106 Cb 1.20 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1jiz h THR 106 CO 0.64 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.32 1jiz n HIS 107 N -2.78 0.00 -0.38 4.73 8.25 -1.26 -4.93 115.22 118.85 1jiz n HIS 107 Ca 0.04 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.54 1jiz n HIS 107 Cb 0.50 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.70 1jiz n HIS 107 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jiz n SER 108 N 0.00 2.42 0.33 0.41 3.41 -1.26 -4.13 113.62 114.79 1jiz n SER 108 Ca 0.00 -2.36 0.21 0.00 -0.26 0.00 0.00 58.87 56.46 1jiz n SER 108 Cb 0.00 -0.19 1.11 0.00 -0.26 0.00 0.00 64.21 64.86 1jiz n SER 108 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jiz h GLY 109 N 0.51 0.00 0.00 5.00 0.00 -1.94 -3.45 103.07 103.19 1jiz h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jiz h GLY 109 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1jiz n GLY 110 N -1.15 2.87 3.58 4.60 0.00 -1.26 -5.04 105.19 108.79 1jiz n GLY 110 Ca -0.03 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1jiz n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jiz s THR 111 N 2.03 5.25 -0.19 2.61 2.01 0.53 -4.89 115.64 122.98 1jiz s THR 111 Ca 0.00 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 1jiz s THR 111 Cb 0.00 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1jiz s THR 111 CO 0.00 0.26 1.68 0.21 -0.69 0.00 0.00 174.62 176.08 1jiz s ASN 112 N 1.72 6.35 0.08 3.53 3.84 -1.26 -1.91 114.94 127.29 1jiz s ASN 112 Ca 0.07 1.75 -0.34 0.00 0.21 0.00 0.00 52.86 54.56 1jiz s ASN 112 Cb -0.16 -2.53 -0.16 0.00 -0.55 0.00 0.00 41.25 37.85 1jiz s ASN 112 CO 0.10 -1.26 1.60 0.25 -2.79 0.00 0.00 177.10 175.00 1jiz h LEU 113 N 11.73 -1.05 -0.35 3.21 5.85 -1.82 -2.25 115.31 130.63 1jiz h LEU 113 Ca -0.36 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1jiz h LEU 113 Cb 1.17 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 1jiz h LEU 113 CO 0.99 -0.59 -0.37 0.15 -0.34 0.00 0.00 178.44 178.28 1jiz h PHE 114 N -0.92 -1.13 -0.41 1.25 3.57 -1.83 0.47 116.94 117.93 1jiz h PHE 114 Ca -0.06 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1jiz h PHE 114 Cb 0.78 0.54 -0.07 0.00 2.79 0.00 0.00 35.95 39.98 1jiz h PHE 114 CO -0.15 -0.30 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.52 1jiz h LEU 115 N -0.20 -0.25 -0.47 0.59 3.38 -1.93 0.13 115.31 116.57 1jiz h LEU 115 Ca 0.06 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1jiz h LEU 115 Cb 0.36 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1jiz h LEU 115 CO -0.43 -0.08 0.25 0.74 0.09 0.00 0.00 178.44 179.00 1jiz h THR 116 N 0.07 0.99 -0.98 0.22 2.02 -0.85 -2.43 112.91 111.95 1jiz h THR 116 Ca 0.20 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1jiz h THR 116 Cb 0.30 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1jiz h THR 116 CO -0.37 0.09 0.64 0.00 0.37 0.00 0.00 175.52 176.25 1jiz h ALA 117 N 1.24 1.33 -0.15 6.16 0.00 0.12 0.10 119.26 128.06 1jiz h ALA 117 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jiz h ALA 117 Cb 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1jiz h ALA 117 CO -0.12 0.60 0.09 0.28 0.00 0.00 0.00 179.25 180.10 1jiz h VAL 118 N 1.29 1.06 -0.50 0.00 2.07 -0.33 0.22 116.25 120.05 1jiz h VAL 118 Ca 0.37 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1jiz h VAL 118 Cb -0.09 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1jiz h VAL 118 CO -0.09 0.05 0.33 -0.74 0.02 0.00 0.00 177.57 177.13 1jiz h HIS 119 N 0.18 0.62 -0.27 1.57 6.17 -1.00 -2.05 115.15 120.37 1jiz h HIS 119 Ca 0.05 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.12 1jiz h HIS 119 Cb 0.01 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 29.71 1jiz h HIS 119 CO -0.06 0.39 0.08 0.93 0.71 0.00 0.00 177.93 179.98 1jiz h GLU 120 N 0.67 0.42 0.00 5.26 4.39 -0.44 -2.31 114.58 122.57 1jiz h GLU 120 Ca 0.18 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1jiz h GLU 120 Cb -0.08 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1jiz h GLU 120 CO -0.04 0.49 -0.04 0.82 -1.16 0.00 0.00 179.01 179.08 1jiz h ILE 121 N 0.26 0.52 -0.62 3.13 2.04 -0.44 0.16 117.51 122.56 1jiz h ILE 121 Ca 0.09 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1jiz h ILE 121 Cb 0.26 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1jiz h ILE 121 CO -0.00 0.04 0.25 1.23 0.00 0.00 0.00 178.15 179.67 1jiz h GLY 122 N 0.30 0.97 0.80 5.37 0.00 -0.79 -1.04 103.07 108.68 1jiz h GLY 122 Ca -0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1jiz h GLY 122 CO 0.01 0.47 -0.31 0.45 0.00 0.00 0.00 176.54 177.15 1jiz h HIS 123 N 0.89 0.58 -0.90 5.60 3.86 -0.64 -0.12 115.15 124.43 1jiz h HIS 123 Ca 0.21 -0.22 0.23 0.00 -1.16 0.00 0.00 60.37 59.43 1jiz h HIS 123 Cb 0.17 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.48 1jiz h HIS 123 CO 0.01 0.94 0.61 0.77 0.86 0.00 0.00 177.93 181.12 1jiz h SER 124 N 0.06 0.25 0.30 2.45 0.02 -0.69 0.75 113.55 116.68 1jiz h SER 124 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1jiz h SER 124 Cb 0.92 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1jiz h SER 124 CO 0.07 0.09 -0.30 0.18 -1.14 0.00 0.00 176.83 175.73 1jiz n LEU 125 N -4.43 0.88 0.00 5.07 4.77 -0.45 -2.84 117.00 120.01 1jiz n LEU 125 Ca 0.19 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jiz n LEU 125 Cb 0.80 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1jiz n LEU 125 CO 0.34 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1jiz n GLY 126 N 1.37 1.06 3.83 -0.72 0.00 0.26 -4.59 105.19 106.39 1jiz n GLY 126 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1jiz n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jiz s LEU 127 N 0.00 4.46 0.00 0.99 1.43 -0.07 -1.88 118.68 123.61 1jiz s LEU 127 Ca 0.00 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1jiz s LEU 127 Cb 0.00 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1jiz s LEU 127 CO 0.00 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1jiz n GLY 128 N 1.43 1.87 3.79 -3.19 0.00 0.25 -3.95 105.19 105.38 1jiz n GLY 128 Ca -0.09 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 1jiz n GLY 128 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jiz s HIS 129 N 2.10 3.79 0.19 1.61 0.09 -1.26 -4.51 115.29 117.29 1jiz s HIS 129 Ca 0.00 1.34 -0.07 0.00 -0.00 0.00 0.00 55.06 56.32 1jiz s HIS 129 Cb 0.00 -2.61 -0.06 0.00 -0.00 0.00 0.00 32.58 29.91 1jiz s HIS 129 CO 0.00 0.48 0.47 0.45 -0.00 0.00 0.00 174.74 176.14 1jiz s SER 130 N -0.76 6.56 0.10 1.40 0.15 -0.61 -3.45 113.70 117.09 1jiz s SER 130 Ca 0.32 0.76 0.24 0.00 0.70 0.00 0.00 55.95 57.97 1jiz s SER 130 Cb -0.20 -2.16 0.30 0.00 -1.71 0.00 0.00 66.02 62.24 1jiz s SER 130 CO 0.20 -0.02 1.27 -1.54 1.20 0.00 0.00 173.24 174.35 1jiz n SER 131 N -0.05 0.67 -4.61 5.45 3.41 0.90 -4.36 113.62 115.03 1jiz n SER 131 Ca -0.01 0.04 -0.43 0.00 -0.26 0.00 0.00 58.87 58.21 1jiz n SER 131 Cb 0.52 0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 1jiz n SER 131 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jiz s ASP 132 N -4.10 6.37 0.48 4.04 -1.08 -1.26 -4.57 116.67 116.53 1jiz s ASP 132 Ca 0.06 1.05 0.32 0.00 -0.52 0.00 0.00 52.55 53.46 1jiz s ASP 132 Cb 0.14 -2.54 1.72 0.00 -1.46 0.00 0.00 42.92 40.78 1jiz s ASP 132 CO 0.74 -1.37 1.98 1.55 0.52 0.00 0.00 175.17 178.59 1jiz h PRO 133 N 10.63 0.00 -0.24 4.34 0.13 -1.99 -2.04 132.00 142.84 1jiz h PRO 133 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1jiz h PRO 133 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jiz h PRO 133 CO 1.06 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 179.19 1jiz n LYS 134 N -2.63 2.42 -3.07 0.86 2.85 -1.26 -4.91 118.16 112.42 1jiz n LYS 134 Ca -0.02 -2.11 -0.35 0.00 -1.05 0.00 0.00 58.31 54.78 1jiz n LYS 134 Cb 0.06 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 32.89 1jiz n LYS 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jiz s ALA 135 N -1.71 3.35 0.40 0.58 0.00 -0.77 -4.61 121.76 119.00 1jiz s ALA 135 Ca 0.34 0.18 0.24 0.00 0.00 0.00 0.00 51.96 52.72 1jiz s ALA 135 Cb 0.22 -2.86 1.28 0.00 0.00 0.00 0.00 23.12 21.76 1jiz s ALA 135 CO 0.31 0.30 2.02 -0.24 0.00 0.00 0.00 175.76 178.16 1jiz h VAL 136 N 2.48 0.72 -0.07 0.00 3.04 -1.91 -1.56 116.25 118.94 1jiz h VAL 136 Ca -0.48 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.56 1jiz h VAL 136 Cb 1.19 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 1jiz h VAL 136 CO 0.65 0.16 0.00 0.23 -1.01 0.00 0.00 177.57 177.60 1jiz n MET 137 N -3.77 1.17 -2.31 4.17 2.81 -1.26 -4.69 117.12 113.23 1jiz n MET 137 Ca -0.02 -0.26 -0.41 0.00 -1.81 0.00 0.00 57.70 55.20 1jiz n MET 137 Cb 0.27 -1.10 -0.03 0.00 -0.71 0.00 0.00 33.22 31.64 1jiz n MET 137 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1jiz s PHE 138 N -1.91 3.36 -1.33 2.03 5.36 -0.59 -1.57 117.98 123.32 1jiz s PHE 138 Ca 0.09 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 1jiz s PHE 138 Cb 0.05 -3.50 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 1jiz s PHE 138 CO 0.07 -1.46 0.60 -2.30 -1.46 0.00 0.00 175.22 170.67 1jiz n PRO 139 N 2.51 0.00 -4.12 10.12 -0.02 -1.26 -4.66 135.00 137.57 1jiz n PRO 139 Ca 0.05 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 1jiz n PRO 139 Cb 0.44 -1.53 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 1jiz n PRO 139 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jiz s THR 140 N -2.20 4.44 0.12 3.45 2.01 -1.26 -5.08 115.64 117.12 1jiz s THR 140 Ca 0.00 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1jiz s THR 140 Cb 0.00 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 1jiz s THR 140 CO 0.00 0.46 1.01 -0.47 -0.69 0.00 0.00 174.62 174.93 1jiz s TYR 141 N 0.47 3.74 -0.28 4.92 5.04 -1.26 -5.02 117.35 124.96 1jiz s TYR 141 Ca 0.01 1.73 -0.05 0.00 -2.44 0.00 0.00 57.07 56.32 1jiz s TYR 141 Cb -0.13 -3.12 0.15 0.00 0.35 0.00 0.00 41.96 39.20 1jiz s TYR 141 CO 0.01 -0.05 0.56 0.21 -1.34 0.00 0.00 175.55 174.94 1jiz s LYS 142 N -0.03 0.51 0.27 4.97 2.20 -1.26 -5.14 119.74 121.25 1jiz s LYS 142 Ca 0.48 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.87 1jiz s LYS 142 Cb -0.25 0.46 -0.10 0.00 -1.51 0.00 0.00 37.83 36.43 1jiz s LYS 142 CO 0.31 -0.45 1.48 -0.47 -0.36 0.00 0.00 175.35 175.86 1jiz s TYR 143 N 2.79 2.93 0.16 4.03 6.14 -1.26 -5.01 117.35 127.13 1jiz s TYR 143 Ca 0.09 0.98 0.01 0.00 0.64 0.00 0.00 57.07 58.79 1jiz s TYR 143 Cb -0.14 -3.89 -0.04 0.00 0.42 0.00 0.00 41.96 38.31 1jiz s TYR 143 CO -0.19 -2.90 0.02 0.14 0.64 0.00 0.00 175.55 173.26 1jiz s VAL 144 N -0.08 0.49 0.04 3.14 -7.23 -1.26 -5.09 120.40 110.41 1jiz s VAL 144 Ca 0.60 -1.95 -0.33 0.00 -1.81 0.00 0.00 61.98 58.49 1jiz s VAL 144 Cb -0.44 -2.08 -0.12 0.00 0.56 0.00 0.00 36.38 34.31 1jiz s VAL 144 CO 0.46 -0.49 1.81 -0.67 -0.31 0.00 0.00 175.10 175.90 1jiz n ASP 145 N -0.19 3.61 0.03 4.85 -0.08 -1.26 -4.87 116.55 118.65 1jiz n ASP 145 Ca -0.06 0.99 -0.20 0.00 -1.51 0.00 0.00 54.79 54.01 1jiz n ASP 145 Cb 0.63 -1.45 -0.11 0.00 2.34 0.00 0.00 41.12 42.54 1jiz n ASP 145 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1jiz h ILE 146 N 4.83 1.32 0.00 5.18 2.04 -1.98 -2.62 117.51 126.29 1jiz h ILE 146 Ca -0.47 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1jiz h ILE 146 Cb 1.25 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 1jiz h ILE 146 CO 0.93 0.67 0.00 0.78 0.00 0.00 0.00 178.15 180.54 1jiz h ASN 147 N 0.25 0.00 0.00 1.72 4.21 -2.00 -2.45 115.58 117.32 1jiz h ASN 147 Ca -0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.39 1jiz h ASN 147 Cb 1.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.81 1jiz h ASN 147 CO 0.18 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.67 1jiz n THR 148 N -2.72 0.60 -1.52 2.81 -2.24 -1.23 -5.07 114.28 104.90 1jiz n THR 148 Ca -0.02 -0.75 -0.39 0.00 -2.27 0.00 0.00 64.05 60.62 1jiz n THR 148 Cb 0.09 0.74 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 1jiz n THR 148 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1jiz n PHE 149 N -0.30 -0.01 -3.67 4.78 7.35 -0.92 -5.02 117.46 119.67 1jiz n PHE 149 Ca 0.00 0.49 -0.14 0.00 -0.76 0.00 0.00 57.45 57.04 1jiz n PHE 149 Cb 0.19 -2.05 -0.08 0.00 0.35 0.00 0.00 39.48 37.89 1jiz n PHE 149 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1jiz s ARG 150 N -2.12 0.70 0.38 -4.13 0.52 -1.26 -5.08 118.95 107.95 1jiz s ARG 150 Ca 0.68 0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 56.44 1jiz s ARG 150 Cb -0.49 0.34 -0.10 0.00 0.52 0.00 0.00 34.95 35.22 1jiz s ARG 150 CO 0.54 -0.08 1.38 -0.51 0.02 0.00 0.00 175.30 176.65 1jiz s LEU 151 N 0.30 4.31 0.72 2.53 1.43 -1.26 -4.97 118.68 121.73 1jiz s LEU 151 Ca -0.00 2.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.83 1jiz s LEU 151 Cb -0.04 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1jiz s LEU 151 CO 0.01 -0.79 1.07 -0.94 0.23 0.00 0.00 176.35 175.93 1jiz s SER 152 N -0.41 5.25 0.33 2.29 1.04 -1.26 -4.87 113.70 116.07 1jiz s SER 152 Ca 0.53 1.43 0.04 0.00 0.48 0.00 0.00 55.95 58.43 1jiz s SER 152 Cb -0.42 -2.27 0.67 0.00 0.10 0.00 0.00 66.02 64.09 1jiz s SER 152 CO 0.56 -1.50 1.91 0.00 0.98 0.00 0.00 173.24 175.19 1jiz h ALA 153 N -0.76 1.65 -0.48 5.32 0.00 -1.94 -1.93 119.26 121.13 1jiz h ALA 153 Ca -0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jiz h ALA 153 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1jiz h ALA 153 CO 0.59 0.19 0.28 0.22 0.00 0.00 0.00 179.25 180.53 1jiz h ASP 154 N 0.86 0.58 0.19 0.00 1.82 -1.96 0.99 116.42 118.90 1jiz h ASP 154 Ca 0.38 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.94 1jiz h ASP 154 Cb 0.35 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1jiz h ASP 154 CO -0.15 0.48 -0.09 0.44 -1.61 0.00 0.00 179.24 178.30 1jiz h ASP 155 N 0.63 -0.22 -0.30 2.28 3.32 -1.73 0.13 116.42 120.52 1jiz h ASP 155 Ca 0.17 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1jiz h ASP 155 Cb 0.01 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1jiz h ASP 155 CO -0.03 -0.04 0.10 0.40 -1.72 0.00 0.00 179.24 177.95 1jiz h ILE 156 N -0.39 0.92 -0.95 0.35 2.04 -1.33 0.32 117.51 118.47 1jiz h ILE 156 Ca -0.03 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1jiz h ILE 156 Cb 0.30 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1jiz h ILE 156 CO 0.04 0.04 0.63 -0.09 0.00 0.00 0.00 178.15 178.77 1jiz h ARG 157 N 0.24 1.22 -0.11 2.37 2.43 -0.69 -1.33 114.38 118.50 1jiz h ARG 157 Ca 0.14 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1jiz h ARG 157 Cb 0.11 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1jiz h ARG 157 CO -0.14 0.80 -0.40 0.78 -1.51 0.00 0.00 179.97 179.50 1jiz h GLY 158 N 1.25 0.52 1.51 2.80 0.00 0.18 -2.74 103.07 106.60 1jiz h GLY 158 Ca 0.36 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1jiz h GLY 158 CO -0.09 0.62 -0.13 1.19 0.00 0.00 0.00 176.54 178.13 1jiz h ILE 159 N 0.06 1.24 0.00 2.60 6.09 -0.22 -2.53 117.51 124.75 1jiz h ILE 159 Ca -0.02 -1.09 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 1jiz h ILE 159 Cb 1.03 1.13 0.00 0.00 0.47 0.00 0.00 36.82 39.45 1jiz h ILE 159 CO 0.08 0.36 0.00 1.56 -3.07 0.00 0.00 178.15 177.09 1jiz h GLN 160 N 0.54 0.00 0.00 2.19 4.20 -1.31 -2.23 115.11 118.50 1jiz h GLN 160 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1jiz h GLN 160 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1jiz h GLN 160 CO 0.03 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.06 1jiz n SER 161 N -2.43 0.00 -0.07 1.46 3.41 -0.96 0.16 113.62 115.20 1jiz n SER 161 Ca 0.05 0.26 -0.08 0.00 -0.26 0.00 0.00 58.87 58.84 1jiz n SER 161 Cb 0.42 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1jiz n SER 161 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jiz n LEU 162 N -1.40 1.42 0.00 1.04 4.77 -0.96 -4.79 117.00 117.08 1jiz n LEU 162 Ca 0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1jiz n LEU 162 Cb 0.22 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1jiz n LEU 162 CO 0.19 0.51 -0.05 -1.22 -1.33 0.00 0.00 177.39 175.49 1jiz n TYR 163 N -2.67 0.00 -4.54 -1.77 4.01 -0.88 -5.02 117.16 106.29 1jiz n TYR 163 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1jiz n TYR 163 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 1jiz n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jiz n GLY 164 N 0.74 0.99 0.00 2.72 0.00 0.42 -4.59 105.19 105.47 1jiz n GLY 164 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1jiz n GLY 164 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66