#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jzi n ASP 2 N 0.00 -0.72 -3.91 0.00 8.00 -1.26 -5.02 116.55 113.63 2jzi n ASP 2 Ca 0.00 -0.65 -0.29 0.00 0.71 0.00 0.00 54.79 54.56 2jzi n ASP 2 Cb 0.00 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 40.96 2jzi n ASP 2 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2jzi s GLN 3 N -3.03 2.01 0.36 -1.24 0.74 -1.26 -5.06 119.66 112.18 2jzi s GLN 3 Ca 0.01 -2.72 0.05 0.00 0.05 0.00 0.00 55.36 52.75 2jzi s GLN 3 Cb -0.00 -3.23 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 2jzi s GLN 3 CO 0.01 -1.16 0.51 -0.51 -0.55 0.00 0.00 175.29 173.59 2jzi s LEU 4 N -0.49 3.92 0.33 3.68 1.43 -1.26 -5.12 118.68 121.17 2jzi s LEU 4 Ca 0.19 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2jzi s LEU 4 Cb -0.21 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 2jzi s LEU 4 CO -0.04 -0.47 0.49 0.42 0.23 0.00 0.00 176.35 176.97 2jzi s THR 5 N -2.25 4.55 0.20 5.49 -4.23 -1.26 -4.84 115.64 113.30 2jzi s THR 5 Ca 0.45 -0.83 -0.16 0.00 -1.18 0.00 0.00 61.69 59.97 2jzi s THR 5 Cb -0.10 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.31 2jzi s THR 5 CO 0.32 -0.30 1.62 -0.08 -0.54 0.00 0.00 174.62 175.64 2jzi h GLU 6 N 0.86 -0.07 0.00 3.99 4.57 -1.99 1.00 114.58 122.95 2jzi h GLU 6 Ca -0.48 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 2jzi h GLU 6 Cb 1.24 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2jzi h GLU 6 CO 0.57 -0.05 -0.16 0.93 -1.18 0.00 0.00 179.01 179.12 2jzi h GLU 7 N -0.07 0.00 0.05 1.92 5.08 -1.98 0.41 114.58 119.98 2jzi h GLU 7 Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2jzi h GLU 7 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jzi h GLU 7 CO -0.63 0.16 -0.02 1.96 -1.00 0.00 0.00 179.01 179.48 2jzi h GLN 8 N 0.00 -0.07 0.00 2.33 1.08 0.21 -3.29 115.11 115.37 2jzi h GLN 8 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2jzi h GLN 8 Cb 0.34 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2jzi h GLN 8 CO 0.02 0.50 -0.57 -0.84 -0.95 0.00 0.00 178.83 176.99 2jzi h ILE 9 N -0.70 1.29 -0.63 2.54 3.07 0.86 -2.89 117.51 121.05 2jzi h ILE 9 Ca -0.01 -2.04 0.18 0.00 1.55 0.00 0.00 64.86 64.54 2jzi h ILE 9 Cb 0.60 2.14 -0.03 0.00 -0.27 0.00 0.00 36.82 39.26 2jzi h ILE 9 CO 0.01 0.56 0.57 0.00 -1.05 0.00 0.00 178.15 178.24 2jzi h ALA 10 N 1.43 2.44 0.00 0.16 0.00 -0.26 1.75 119.26 124.79 2jzi h ALA 10 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2jzi h ALA 10 Cb 1.09 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jzi h ALA 10 CO 0.07 -0.90 -0.63 0.93 0.00 0.00 0.00 179.25 178.73 2jzi h GLU 11 N 0.00 0.00 0.02 0.00 4.39 -1.62 -2.83 114.58 114.53 2jzi h GLU 11 Ca 0.30 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2jzi h GLU 11 Cb 1.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2jzi h GLU 11 CO -0.00 0.63 -0.01 0.74 -1.16 0.00 0.00 179.01 179.21 2jzi h PHE 12 N 0.00 -0.02 -0.17 4.33 -1.00 0.25 -3.20 116.94 117.12 2jzi h PHE 12 Ca -0.01 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.82 2jzi h PHE 12 Cb 1.23 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.79 2jzi h PHE 12 CO 0.00 0.15 0.32 1.57 -1.61 0.00 0.00 178.31 178.74 2jzi h LYS 13 N -1.00 0.00 0.00 1.51 2.10 -1.19 1.35 116.57 119.34 2jzi h LYS 13 Ca -0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2jzi h LYS 13 Cb 0.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 2jzi h LYS 13 CO 0.00 0.00 -0.67 1.05 -2.00 0.00 0.00 179.45 177.83 2jzi h GLU 14 N 0.00 0.00 -0.12 0.07 4.11 -1.59 -1.87 114.58 115.17 2jzi h GLU 14 Ca 0.08 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.28 2jzi h GLU 14 Cb 0.71 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2jzi h GLU 14 CO -0.00 0.67 -0.84 0.00 0.07 0.00 0.00 179.01 178.91 2jzi h ALA 15 N 1.33 0.28 0.16 1.06 0.00 0.17 0.50 119.26 122.76 2jzi h ALA 15 Ca -0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 2jzi h ALA 15 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jzi h ALA 15 CO 0.09 0.69 -0.11 0.74 0.00 0.00 0.00 179.25 180.66 2jzi h PHE 16 N 0.51 -0.28 0.00 0.00 0.04 -0.97 0.26 116.94 116.49 2jzi h PHE 16 Ca -0.07 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2jzi h PHE 16 Cb 1.47 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.72 2jzi h PHE 16 CO 0.09 -0.17 -0.28 1.03 -0.60 0.00 0.00 178.31 178.38 2jzi h SER 17 N -0.27 0.00 1.33 2.17 0.87 -1.36 -2.74 113.55 113.56 2jzi h SER 17 Ca -0.01 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 2jzi h SER 17 Cb 0.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2jzi h SER 17 CO 0.01 0.28 -0.69 0.25 -0.53 0.00 0.00 176.83 176.15 2jzi h LEU 18 N 0.00 0.00 -1.35 2.23 6.46 0.38 -3.21 115.31 119.81 2jzi h LEU 18 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2jzi h LEU 18 Cb 0.94 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 2jzi h LEU 18 CO 0.04 0.51 -0.02 0.33 -0.62 0.00 0.00 178.44 178.68 2jzi n PHE 19 N -3.15 0.00 -4.09 1.25 7.35 0.88 -4.42 117.46 115.28 2jzi n PHE 19 Ca -0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.35 2jzi n PHE 19 Cb 0.75 -0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.51 2jzi n PHE 19 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jzi s ASP 20 N -2.03 5.76 0.07 -2.13 2.15 -1.04 -4.88 116.67 114.57 2jzi s ASP 20 Ca 0.33 0.18 -0.28 0.00 0.43 0.00 0.00 52.55 53.22 2jzi s ASP 20 Cb 0.20 -1.68 -0.17 0.00 -0.30 0.00 0.00 42.92 40.97 2jzi s ASP 20 CO 0.33 0.28 1.62 0.11 -0.17 0.00 0.00 175.17 177.34 2jzi h LYS 21 N 4.18 -0.43 -0.00 4.34 1.79 -1.86 -2.65 116.57 121.94 2jzi h LYS 21 Ca -0.49 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2jzi h LYS 21 Cb 1.19 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2jzi h LYS 21 CO 0.62 -0.25 -0.12 -0.40 -1.08 0.00 0.00 179.45 178.23 2jzi n ASP 22 N -5.26 0.35 -3.87 0.86 5.75 -1.26 -4.94 116.55 108.19 2jzi n ASP 22 Ca -0.10 -0.36 -0.27 0.00 -0.01 0.00 0.00 54.79 54.05 2jzi n ASP 22 Cb 0.21 -0.12 0.02 0.00 -1.03 0.00 0.00 41.12 40.19 2jzi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jzi n GLY 23 N 1.32 -0.37 1.09 6.12 0.00 -1.00 -4.85 105.19 107.51 2jzi n GLY 23 Ca 0.13 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.35 2jzi n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jzi n ASP 24 N -2.92 3.11 0.00 1.61 5.68 -1.26 -4.84 116.55 117.93 2jzi n ASP 24 Ca -0.14 -2.36 0.00 0.00 -0.50 0.00 0.00 54.79 51.80 2jzi n ASP 24 Cb 0.60 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 2jzi n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jzi n GLY 25 N 0.55 0.66 3.26 6.12 0.00 -1.26 -4.94 105.19 109.57 2jzi n GLY 25 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 2jzi n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jzi s THR 26 N -2.45 0.04 -0.10 2.61 -4.23 -1.25 -4.13 115.64 106.13 2jzi s THR 26 Ca 0.00 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.10 2jzi s THR 26 Cb 0.00 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 2jzi s THR 26 CO 0.00 -0.20 0.11 -0.63 -0.54 0.00 0.00 174.62 173.36 2jzi s ILE 27 N -1.05 5.23 0.88 2.99 1.01 -1.26 -4.63 121.20 124.37 2jzi s ILE 27 Ca -0.11 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 2jzi s ILE 27 Cb -0.04 -3.28 0.19 0.00 0.01 0.00 0.00 42.46 39.33 2jzi s ILE 27 CO 0.04 0.58 1.20 0.28 0.00 0.00 0.00 174.94 177.05 2jzi s THR 28 N -1.03 2.02 0.04 2.92 -1.32 -1.26 -2.68 115.64 114.33 2jzi s THR 28 Ca 0.16 -0.28 -0.20 0.00 -1.21 0.00 0.00 61.69 60.16 2jzi s THR 28 Cb -0.12 -2.74 -0.15 0.00 -1.51 0.00 0.00 72.50 67.98 2jzi s THR 28 CO 0.05 0.00 1.32 0.71 -2.21 0.00 0.00 174.62 174.49 2jzi h THR 29 N -1.23 1.36 -0.96 5.08 1.35 -1.41 -1.02 112.91 116.08 2jzi h THR 29 Ca -0.40 -1.40 0.13 0.00 -0.55 0.00 0.00 66.41 64.19 2jzi h THR 29 Cb 1.24 1.93 -0.08 0.00 -1.73 0.00 0.00 68.15 69.50 2jzi h THR 29 CO 0.35 0.41 0.61 0.07 -0.25 0.00 0.00 175.52 176.71 2jzi h LYS 30 N 0.01 0.85 0.16 4.72 5.09 -1.93 1.06 116.57 126.53 2jzi h LYS 30 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 60.65 60.70 2jzi h LYS 30 Cb 0.75 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 32.89 2jzi h LYS 30 CO 0.05 0.56 -0.08 0.93 -2.09 0.00 0.00 179.45 178.82 2jzi h GLU 31 N 0.88 -0.21 0.01 0.07 4.39 -1.92 0.47 114.58 118.28 2jzi h GLU 31 Ca 0.48 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.22 2jzi h GLU 31 Cb 0.58 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2jzi h GLU 31 CO -0.25 0.23 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.60 2jzi h LEU 32 N -0.80 -0.48 -0.40 1.33 3.38 -0.70 0.43 115.31 118.07 2jzi h LEU 32 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2jzi h LEU 32 Cb 0.53 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2jzi h LEU 32 CO 0.04 -0.23 0.21 1.23 0.09 0.00 0.00 178.44 179.78 2jzi h GLY 33 N -0.28 0.61 1.44 0.83 0.00 0.11 -1.63 103.07 104.15 2jzi h GLY 33 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2jzi h GLY 33 CO -0.15 0.27 0.15 -0.84 0.00 0.00 0.00 176.54 175.97 2jzi h THR 34 N 0.52 1.20 0.64 4.70 2.02 0.34 1.00 112.91 123.32 2jzi h THR 34 Ca 0.14 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2jzi h THR 34 Cb 0.07 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2jzi h THR 34 CO -0.02 0.25 -0.31 0.58 0.37 0.00 0.00 175.52 176.39 2jzi h VAL 35 N 0.70 0.34 -0.25 3.16 2.07 0.31 0.37 116.25 122.95 2jzi h VAL 35 Ca 0.16 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 67.38 2jzi h VAL 35 Cb 0.21 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2jzi h VAL 35 CO -0.01 0.02 -0.54 -0.03 0.02 0.00 0.00 177.57 177.03 2jzi h MET 36 N -0.95 0.81 -0.72 1.57 -1.53 -1.17 -1.62 114.93 111.32 2jzi h MET 36 Ca -0.09 -0.53 -0.04 0.00 -3.44 0.00 0.00 59.70 55.60 2jzi h MET 36 Cb 0.69 0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.77 2jzi h MET 36 CO 0.14 1.16 0.31 -0.09 0.14 0.00 0.00 176.91 178.58 2jzi h ARG 37 N 0.56 1.07 0.00 0.39 1.12 0.10 0.60 114.38 118.23 2jzi h ARG 37 Ca 0.00 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.69 2jzi h ARG 37 Cb 1.15 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.93 2jzi h ARG 37 CO 0.12 0.87 0.00 0.45 -3.11 0.00 0.00 179.97 178.29 2jzi n SER 38 N -4.37 0.01 -0.09 -3.80 2.88 0.13 -2.93 113.62 105.45 2jzi n SER 38 Ca 0.06 0.50 -0.14 0.00 -1.33 0.00 0.00 58.87 57.96 2jzi n SER 38 Cb 0.16 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 63.04 2jzi n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jzi h LEU 39 N 0.00 0.00 -2.13 2.46 6.46 -0.23 -3.47 115.31 118.39 2jzi h LEU 39 Ca 0.00 -0.34 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 2jzi h LEU 39 Cb 0.48 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 2jzi h LEU 39 CO 0.00 1.16 -0.04 0.61 -0.62 0.00 0.00 178.44 179.55 2jzi n GLY 40 N 1.52 -0.44 3.37 3.75 0.00 0.08 -5.07 105.19 108.40 2jzi n GLY 40 Ca -0.21 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2jzi n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jzi n GLN 41 N -0.11 0.48 -2.72 1.61 -0.06 -0.45 -4.96 117.38 111.17 2jzi n GLN 41 Ca -0.03 -3.49 -0.08 0.00 -2.00 0.00 0.00 57.00 51.39 2jzi n GLN 41 Cb 0.43 2.43 0.10 0.00 -4.06 0.00 0.00 30.24 29.13 2jzi n GLN 41 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2jzi n ASN 42 N -1.59 -2.15 -2.70 1.69 6.94 -1.26 -4.35 115.26 111.83 2jzi n ASN 42 Ca 0.02 -3.27 -0.11 0.00 -0.02 0.00 0.00 54.58 51.20 2jzi n ASN 42 Cb 0.63 1.59 0.07 0.00 -2.36 0.00 0.00 39.78 39.71 2jzi n ASN 42 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2jzi n PRO 43 N 0.03 -0.45 -4.28 -0.53 -0.04 -1.26 -5.10 135.00 123.37 2jzi n PRO 43 Ca 0.03 -0.76 -0.28 0.00 -0.04 0.00 0.00 63.50 62.45 2jzi n PRO 43 Cb 0.75 -0.49 -0.10 0.00 -0.04 0.00 0.00 33.50 33.62 2jzi n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jzi s THR 44 N -2.02 3.17 0.12 0.52 2.01 -1.26 -5.03 115.64 113.15 2jzi s THR 44 Ca 0.27 -1.54 -0.20 0.00 0.31 0.00 0.00 61.69 60.54 2jzi s THR 44 Cb -0.01 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2jzi s THR 44 CO 0.19 -0.02 1.73 -0.33 -0.69 0.00 0.00 174.62 175.51 2jzi h GLU 45 N 3.23 0.09 -0.07 4.92 4.39 -1.99 -0.59 114.58 124.57 2jzi h GLU 45 Ca -0.48 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 2jzi h GLU 45 Cb 1.19 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2jzi h GLU 45 CO 0.52 0.06 -0.33 0.00 -1.16 0.00 0.00 179.01 178.11 2jzi h ALA 46 N 1.14 1.34 0.29 3.43 0.00 -1.98 -1.77 119.26 121.70 2jzi h ALA 46 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jzi h ALA 46 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jzi h ALA 46 CO -0.12 0.47 -0.14 0.93 0.00 0.00 0.00 179.25 180.39 2jzi h GLU 47 N 0.11 -0.37 -0.62 0.00 5.08 -1.81 -0.44 114.58 116.53 2jzi h GLU 47 Ca 0.01 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2jzi h GLU 47 Cb 0.63 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2jzi h GLU 47 CO 0.05 -0.05 0.20 1.37 -1.00 0.00 0.00 179.01 179.58 2jzi h LEU 48 N -0.74 0.87 -0.01 1.33 -0.00 -1.10 -1.77 115.31 113.89 2jzi h LEU 48 Ca -0.04 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2jzi h LEU 48 Cb 0.50 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2jzi h LEU 48 CO 0.06 0.81 0.00 1.56 -0.00 0.00 0.00 178.44 180.88 2jzi h GLN 49 N 0.91 0.01 -0.53 0.17 4.20 -1.31 0.88 115.11 119.45 2jzi h GLN 49 Ca 0.20 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.98 2jzi h GLN 49 Cb 0.26 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 2jzi h GLN 49 CO -0.01 0.13 0.20 0.22 -0.67 0.00 0.00 178.83 178.70 2jzi h ASP 50 N -0.11 0.22 0.69 1.46 3.58 -0.82 -1.78 116.42 119.66 2jzi h ASP 50 Ca 0.00 0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 2jzi h ASP 50 Cb 0.12 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2jzi h ASP 50 CO -0.00 0.15 -0.75 0.24 -2.88 0.00 0.00 179.24 176.00 2jzi h MET 51 N 0.39 0.04 -0.94 0.28 2.86 -1.13 -3.25 114.93 113.19 2jzi h MET 51 Ca 0.25 -0.04 0.15 0.00 -2.06 0.00 0.00 59.70 58.01 2jzi h MET 51 Cb 0.26 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.85 2jzi h MET 51 CO -0.24 0.77 0.60 0.82 1.06 0.00 0.00 176.91 179.91 2jzi h ILE 52 N 0.03 0.82 -1.29 -1.22 1.08 0.17 -1.07 117.51 116.02 2jzi h ILE 52 Ca -0.01 -0.25 0.37 0.00 -0.39 0.00 0.00 64.86 64.58 2jzi h ILE 52 Cb 1.32 0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 2jzi h ILE 52 CO 0.10 0.13 1.03 0.78 -0.69 0.00 0.00 178.15 179.51 2jzi h ASN 53 N 0.74 0.00 0.09 1.72 2.35 -1.55 0.98 115.58 119.91 2jzi h ASN 53 Ca 0.48 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.95 2jzi h ASN 53 Cb 0.75 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.14 2jzi h ASN 53 CO -0.24 0.00 -1.13 -0.33 -1.65 0.00 0.00 177.43 174.07 2jzi h GLU 54 N 0.00 0.65 0.00 0.81 3.07 -1.43 -3.19 114.58 114.48 2jzi h GLU 54 Ca 0.61 -0.77 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2jzi h GLU 54 Cb 2.68 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 30.82 2jzi h GLU 54 CO -0.01 1.34 -0.03 1.33 -1.40 0.00 0.00 179.01 180.24 2jzi n VAL 55 N -3.81 0.24 -4.04 3.13 0.24 0.30 -4.82 118.33 109.57 2jzi n VAL 55 Ca -0.12 -0.12 -0.26 0.00 -2.04 0.00 0.00 64.34 61.80 2jzi n VAL 55 Cb 0.93 -0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 32.76 2jzi n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jzi s ASP 56 N -3.62 5.81 0.08 -1.34 2.15 0.81 -4.56 116.67 116.00 2jzi s ASP 56 Ca 0.12 -0.03 0.11 0.00 0.43 0.00 0.00 52.55 53.19 2jzi s ASP 56 Cb 0.16 -1.60 -0.17 0.00 -0.30 0.00 0.00 42.92 41.00 2jzi s ASP 56 CO 0.57 0.06 1.04 0.00 -0.17 0.00 0.00 175.17 176.66 2jzi h ALA 57 N 2.27 0.57 -0.00 3.66 0.00 -1.84 -3.36 119.26 120.57 2jzi h ALA 57 Ca -0.48 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.40 2jzi h ALA 57 Cb 1.20 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jzi h ALA 57 CO 0.65 1.25 -0.17 -0.40 0.00 0.00 0.00 179.25 180.57 2jzi n ASP 58 N -3.18 0.21 -3.24 0.00 5.68 -1.26 -5.05 116.55 109.72 2jzi n ASP 58 Ca -0.07 -0.61 -0.11 0.00 -0.50 0.00 0.00 54.79 53.50 2jzi n ASP 58 Cb 0.94 0.97 0.04 0.00 -1.14 0.00 0.00 41.12 41.93 2jzi n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jzi n GLY 59 N 1.06 -1.18 0.70 6.12 0.00 -1.26 -4.94 105.19 105.69 2jzi n GLY 59 Ca 0.01 0.54 0.08 0.00 0.00 0.00 0.00 46.02 46.64 2jzi n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jzi n ASN 60 N -2.64 3.46 0.00 1.61 6.94 -1.26 -4.81 115.26 118.56 2jzi n ASN 60 Ca -0.05 -2.87 0.00 0.00 -0.02 0.00 0.00 54.58 51.64 2jzi n ASN 60 Cb 0.58 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 2jzi n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jzi n GLY 61 N -0.53 0.56 3.43 4.83 0.00 -1.26 -4.96 105.19 107.26 2jzi n GLY 61 Ca 0.19 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 2jzi n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jzi s THR 62 N -2.00 0.00 -0.07 2.61 -4.23 -1.26 -0.94 115.64 109.75 2jzi s THR 62 Ca 0.00 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 2jzi s THR 62 Cb 0.00 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 2jzi s THR 62 CO 0.00 0.00 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.29 2jzi s ILE 63 N -3.42 2.87 0.70 2.99 1.01 -1.09 -4.19 121.20 120.08 2jzi s ILE 63 Ca 0.32 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2jzi s ILE 63 Cb 0.01 -2.14 0.15 0.00 0.01 0.00 0.00 42.46 40.50 2jzi s ILE 63 CO 0.19 0.57 0.96 0.47 0.00 0.00 0.00 174.94 177.12 2jzi n ASP 64 N 2.76 0.68 0.16 3.58 8.00 -1.26 -4.07 116.55 126.40 2jzi n ASP 64 Ca -0.17 -1.72 -0.13 0.00 0.71 0.00 0.00 54.79 53.48 2jzi n ASP 64 Cb 0.52 -0.68 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 2jzi n ASP 64 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2jzi h PHE 65 N -1.04 -0.42 -0.35 1.24 -1.00 -1.99 -0.87 116.94 112.51 2jzi h PHE 65 Ca -0.31 -0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.38 2jzi h PHE 65 Cb 1.01 0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.69 2jzi h PHE 65 CO 0.00 -0.08 -0.10 -1.00 -1.61 0.00 0.00 178.31 175.52 2jzi h PRO 66 N -0.85 0.59 0.19 1.51 0.13 -1.99 -1.57 132.00 130.01 2jzi h PRO 66 Ca -0.05 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2jzi h PRO 66 Cb 0.53 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2jzi h PRO 66 CO 0.08 0.69 -0.09 0.93 -0.23 0.00 0.00 178.00 179.38 2jzi h GLU 67 N 0.55 -0.25 0.43 0.86 4.39 -1.88 -0.55 114.58 118.13 2jzi h GLU 67 Ca 0.10 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2jzi h GLU 67 Cb 0.51 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2jzi h GLU 67 CO 0.03 -0.02 -0.36 0.35 -1.16 0.00 0.00 179.01 177.86 2jzi h PHE 68 N -0.45 -0.95 -0.36 4.33 3.04 -1.01 0.14 116.94 121.68 2jzi h PHE 68 Ca -0.03 0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.99 2jzi h PHE 68 Cb 0.34 0.36 -0.06 0.00 2.56 0.00 0.00 35.95 39.15 2jzi h PHE 68 CO -0.01 -0.51 -0.05 -0.07 -2.02 0.00 0.00 178.31 175.65 2jzi h LEU 69 N -0.79 -0.24 -1.76 0.59 3.38 -1.32 0.24 115.31 115.41 2jzi h LEU 69 Ca -0.04 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2jzi h LEU 69 Cb 0.68 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2jzi h LEU 69 CO -0.02 -0.08 0.24 0.74 0.09 0.00 0.00 178.44 179.41 2jzi h THR 70 N 0.05 0.99 0.55 0.22 2.02 -0.88 0.82 112.91 116.67 2jzi h THR 70 Ca 0.17 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 2jzi h THR 70 Cb 0.25 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2jzi h THR 70 CO -0.33 0.06 -0.26 -0.03 0.37 0.00 0.00 175.52 175.32 2jzi h MET 71 N 0.31 -0.71 0.00 6.66 -1.53 0.22 -3.21 114.93 116.67 2jzi h MET 71 Ca 0.15 0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.42 2jzi h MET 71 Cb 0.21 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 2jzi h MET 71 CO -0.03 -0.47 -0.19 0.52 0.14 0.00 0.00 176.91 176.88 2jzi h MET 72 N -1.03 0.00 -0.25 0.39 2.07 -0.50 -2.14 114.93 113.47 2jzi h MET 72 Ca -0.07 0.00 0.07 0.00 -2.07 0.00 0.00 59.70 57.63 2jzi h MET 72 Cb 0.56 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.28 2jzi h MET 72 CO 0.12 0.19 0.35 0.00 1.07 0.00 0.00 176.91 178.65 2jzi h ALA 73 N 1.81 1.82 -0.36 6.32 0.00 0.67 0.41 119.26 129.93 2jzi h ALA 73 Ca -0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2jzi h ALA 73 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jzi h ALA 73 CO 0.02 -0.48 0.30 -0.09 0.00 0.00 0.00 179.25 179.01 2jzi h ARG 74 N 0.00 0.00 -0.02 0.00 9.65 -1.42 0.89 114.38 123.49 2jzi h ARG 74 Ca 0.12 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.00 2jzi h ARG 74 Cb 0.82 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.40 2jzi h ARG 74 CO -0.00 0.00 0.05 -0.22 2.80 0.00 0.00 179.97 182.60 2jzi h LYS 75 N 0.00 0.00 -0.13 0.20 1.63 -1.13 -1.58 116.57 115.56 2jzi h LYS 75 Ca 0.17 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 2jzi h LYS 75 Cb 0.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 2jzi h LYS 75 CO -0.00 0.00 0.24 0.52 -3.45 0.00 0.00 179.45 176.76 2jzi h MET 76 N 0.00 0.00 -1.75 1.90 2.86 -1.02 -2.16 114.93 114.76 2jzi h MET 76 Ca 0.01 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.23 2jzi h MET 76 Cb 0.12 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.62 2jzi h MET 76 CO -0.00 0.00 0.41 1.17 1.06 0.00 0.00 176.91 179.55 2jzi n LYS 77 N -3.40 2.14 0.00 1.72 3.00 -0.59 -5.01 118.16 116.02 2jzi n LYS 77 Ca 0.01 -2.01 0.00 0.00 -0.00 0.00 0.00 58.31 56.30 2jzi n LYS 77 Cb 0.34 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 33.46 2jzi n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jzi n ASP 78 N 0.59 -3.17 -0.84 3.14 -0.08 -0.81 -5.01 116.55 110.37 2jzi n ASP 78 Ca 0.41 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.74 2jzi n ASP 78 Cb 0.57 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.00 2jzi n ASP 78 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2jzi n THR 79 N -0.75 -1.01 -2.39 5.18 -1.04 -1.26 -4.78 114.28 108.22 2jzi n THR 79 Ca 0.00 0.66 -0.17 0.00 -2.04 0.00 0.00 64.05 62.50 2jzi n THR 79 Cb 0.00 -1.05 -0.00 0.00 -1.82 0.00 0.00 70.33 67.46 2jzi n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2jzi n ASP 80 N -2.80 -4.96 -0.04 8.00 9.92 -1.26 -4.92 116.55 120.48 2jzi n ASP 80 Ca -0.03 -0.05 -0.12 0.00 -0.53 0.00 0.00 54.79 54.07 2jzi n ASP 80 Cb 0.34 -4.03 -0.10 0.00 -0.64 0.00 0.00 41.12 36.68 2jzi n ASP 80 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2jzi h SER 81 N -0.15 -0.03 1.04 -2.24 0.87 -1.98 -3.33 113.55 107.73 2jzi h SER 81 Ca -0.40 -0.72 -0.20 0.00 -1.23 0.00 0.00 61.79 59.24 2jzi h SER 81 Cb 1.29 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 2jzi h SER 81 CO 0.46 0.78 -0.97 -0.33 -0.53 0.00 0.00 176.83 176.24 2jzi h GLU 82 N -0.91 0.00 -0.79 2.24 5.08 -2.02 -3.28 114.58 114.90 2jzi h GLU 82 Ca -0.00 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 2jzi h GLU 82 Cb 0.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2jzi h GLU 82 CO 0.01 0.88 0.56 0.93 -1.00 0.00 0.00 179.01 180.39 2jzi h GLU 83 N 0.00 0.04 0.00 2.33 5.08 -1.97 0.39 114.58 120.45 2jzi h GLU 83 Ca -0.03 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2jzi h GLU 83 Cb 1.72 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 2jzi h GLU 83 CO 0.12 0.03 -0.51 0.93 -1.00 0.00 0.00 179.01 178.58 2jzi h GLU 84 N 0.05 0.00 0.00 2.33 5.08 -1.67 -0.91 114.58 119.47 2jzi h GLU 84 Ca 0.38 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2jzi h GLU 84 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2jzi h GLU 84 CO -0.02 0.51 -0.00 0.82 -1.00 0.00 0.00 179.01 179.31 2jzi h ILE 85 N 0.00 1.59 0.04 3.13 2.04 -0.44 -3.24 117.51 120.64 2jzi h ILE 85 Ca -0.01 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.71 2jzi h ILE 85 Cb 0.92 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 2jzi h ILE 85 CO 0.07 0.53 -0.02 0.03 0.00 0.00 0.00 178.15 178.76 2jzi h ARG 86 N -0.98 -0.06 -0.35 2.37 -0.00 -1.47 -3.04 114.38 110.86 2jzi h ARG 86 Ca -0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.58 2jzi h ARG 86 Cb 0.87 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.84 2jzi h ARG 86 CO 0.00 0.59 0.39 1.49 0.00 0.00 0.00 179.97 182.44 2jzi h GLU 87 N -0.82 0.00 0.08 0.04 4.81 -1.37 0.19 114.58 117.50 2jzi h GLU 87 Ca -0.01 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 2jzi h GLU 87 Cb 0.67 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.06 2jzi h GLU 87 CO 0.01 0.00 -1.14 0.00 -0.73 0.00 0.00 179.01 177.15 2jzi h ALA 88 N 1.55 0.16 0.13 2.92 0.00 -1.58 -2.96 119.26 119.47 2jzi h ALA 88 Ca 0.16 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2jzi h ALA 88 Cb 0.94 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jzi h ALA 88 CO -0.00 0.81 -0.06 0.35 0.00 0.00 0.00 179.25 180.34 2jzi h PHE 89 N 0.21 -0.16 -0.62 0.00 3.57 -0.55 0.61 116.94 120.00 2jzi h PHE 89 Ca -0.14 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.51 2jzi h PHE 89 Cb 1.81 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.57 2jzi h PHE 89 CO 0.08 0.22 0.43 0.00 -2.23 0.00 0.00 178.31 176.81 2jzi h ARG 90 N -0.58 0.20 0.00 1.11 3.08 -1.40 0.21 114.38 117.00 2jzi h ARG 90 Ca -0.02 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2jzi h ARG 90 Cb 0.45 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2jzi h ARG 90 CO 0.03 0.13 -1.07 0.28 -1.07 0.00 0.00 179.97 178.27 2jzi h VAL 91 N 0.21 0.27 -0.73 2.04 2.07 -1.37 -3.35 116.25 115.40 2jzi h VAL 91 Ca 0.30 -1.51 0.16 0.00 0.82 0.00 0.00 66.70 66.48 2jzi h VAL 91 Cb 0.89 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2jzi h VAL 91 CO -0.06 0.16 0.49 0.15 0.02 0.00 0.00 177.57 178.33 2jzi h PHE 92 N 0.00 0.34 -3.00 1.57 3.57 0.36 -3.40 116.94 116.37 2jzi h PHE 92 Ca -0.07 0.01 -0.64 0.00 3.53 0.00 0.00 57.97 60.80 2jzi h PHE 92 Cb 1.27 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.84 2jzi h PHE 92 CO 0.00 0.12 -0.54 0.34 -2.23 0.00 0.00 178.31 176.00 2jzi s ASP 93 N -5.96 6.00 0.20 0.41 -1.08 -1.18 -4.70 116.67 110.36 2jzi s ASP 93 Ca -0.07 0.19 -0.05 0.00 -0.52 0.00 0.00 52.55 52.11 2jzi s ASP 93 Cb 0.21 -1.78 0.13 0.00 -1.46 0.00 0.00 42.92 40.02 2jzi s ASP 93 CO 0.76 0.22 1.55 0.11 0.52 0.00 0.00 175.17 178.33 2jzi h LYS 94 N 3.54 0.69 -0.00 4.34 1.57 -1.88 -3.29 116.57 121.53 2jzi h LYS 94 Ca -0.47 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 2jzi h LYS 94 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2jzi h LYS 94 CO 0.69 0.97 -0.38 -0.40 -0.57 0.00 0.00 179.45 179.75 2jzi n ASP 95 N -4.04 0.43 0.00 0.86 5.68 -1.26 -5.01 116.55 113.21 2jzi n ASP 95 Ca -0.02 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 2jzi n ASP 95 Cb 0.53 0.97 0.00 0.00 -1.14 0.00 0.00 41.12 41.48 2jzi n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jzi n GLY 96 N 1.18 0.62 0.12 6.12 0.00 -1.24 -4.93 105.19 107.05 2jzi n GLY 96 Ca 0.02 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.39 2jzi n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jzi n ASN 97 N 1.68 0.54 0.00 1.61 5.03 -1.26 -4.83 115.26 118.03 2jzi n ASN 97 Ca 0.00 0.66 0.00 0.00 0.87 0.00 0.00 54.58 56.11 2jzi n ASN 97 Cb 0.41 -0.76 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 2jzi n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jzi n GLY 98 N -0.34 0.92 3.21 7.41 0.00 -1.26 -5.06 105.19 110.07 2jzi n GLY 98 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2jzi n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jzi s TYR 99 N -2.19 1.54 -0.26 1.61 2.02 -1.26 -3.40 117.35 115.42 2jzi s TYR 99 Ca 0.00 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 2jzi s TYR 99 Cb 0.00 -0.89 0.06 0.00 -0.40 0.00 0.00 41.96 40.73 2jzi s TYR 99 CO 0.00 0.10 -0.10 0.96 -1.57 0.00 0.00 175.55 174.94 2jzi s ILE 100 N -0.96 2.04 0.87 2.71 -4.36 -1.25 -4.70 121.20 115.55 2jzi s ILE 100 Ca 0.04 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 58.77 2jzi s ILE 100 Cb -0.09 -2.19 0.16 0.00 1.25 0.00 0.00 42.46 41.60 2jzi s ILE 100 CO 0.02 -0.05 1.20 -0.44 0.24 0.00 0.00 174.94 175.91 2jzi s SER 101 N 1.16 3.66 0.45 4.36 0.01 -1.26 -4.28 113.70 117.80 2jzi s SER 101 Ca -0.08 0.11 0.14 0.00 1.31 0.00 0.00 55.95 57.43 2jzi s SER 101 Cb -0.20 -0.31 1.02 0.00 0.21 0.00 0.00 66.02 66.74 2jzi s SER 101 CO -0.05 -2.36 2.01 0.00 0.41 0.00 0.00 173.24 173.24 2jzi h ALA 102 N -1.21 1.73 0.68 1.44 0.00 -1.89 0.41 119.26 120.42 2jzi h ALA 102 Ca -0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2jzi h ALA 102 Cb 1.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jzi h ALA 102 CO 0.41 0.21 -0.32 0.00 0.00 0.00 0.00 179.25 179.55 2jzi h ALA 103 N 1.83 -0.91 0.01 0.00 0.00 -1.98 -1.66 119.26 116.55 2jzi h ALA 103 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2jzi h ALA 103 Cb 0.29 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jzi h ALA 103 CO 0.02 -0.98 -0.35 0.93 0.00 0.00 0.00 179.25 178.88 2jzi h GLU 104 N -0.98 0.22 -0.72 0.00 4.39 -1.90 -3.12 114.58 112.48 2jzi h GLU 104 Ca -0.09 -0.25 0.19 0.00 0.34 0.00 0.00 59.36 59.55 2jzi h GLU 104 Cb 0.72 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 2jzi h GLU 104 CO 0.15 0.98 0.51 1.25 -1.16 0.00 0.00 179.01 180.74 2jzi h LEU 105 N -0.44 0.11 -0.02 1.33 5.85 -0.27 -0.78 115.31 121.09 2jzi h LEU 105 Ca -0.05 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2jzi h LEU 105 Cb 1.11 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2jzi h LEU 105 CO 0.07 0.05 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.07 2jzi h ARG 106 N 0.11 0.07 -0.74 1.25 2.43 -1.33 -0.37 114.38 115.80 2jzi h ARG 106 Ca 0.35 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2jzi h ARG 106 Cb 1.22 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 2jzi h ARG 106 CO -0.04 0.68 0.48 0.45 -1.51 0.00 0.00 179.97 180.02 2jzi h HIS 107 N -0.52 0.90 -0.17 2.20 3.86 -1.19 0.59 115.15 120.82 2jzi h HIS 107 Ca -0.00 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 2jzi h HIS 107 Cb 0.68 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 28.86 2jzi h HIS 107 CO 0.14 0.54 -0.65 0.28 0.86 0.00 0.00 177.93 179.09 2jzi h VAL 108 N 0.95 1.30 0.16 2.45 2.07 -1.25 -2.31 116.25 119.61 2jzi h VAL 108 Ca 0.28 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 2jzi h VAL 108 Cb -0.04 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2jzi h VAL 108 CO -0.09 0.59 -0.08 0.24 0.02 0.00 0.00 177.57 178.26 2jzi h MET 109 N 0.45 -0.20 -0.24 1.57 2.07 -0.80 -2.77 114.93 115.01 2jzi h MET 109 Ca -0.03 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.64 2jzi h MET 109 Cb 1.28 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 31.03 2jzi h MET 109 CO 0.14 0.23 0.04 1.15 1.07 0.00 0.00 176.91 179.54 2jzi h THR 110 N -0.84 0.88 -0.19 2.22 2.02 0.09 1.00 112.91 118.09 2jzi h THR 110 Ca -0.02 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.17 2jzi h THR 110 Cb 0.53 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2jzi h THR 110 CO 0.04 0.02 0.14 0.78 0.37 0.00 0.00 175.52 176.87 2jzi h ASN 111 N 0.13 0.00 -0.52 4.18 2.35 -1.52 -2.03 115.58 118.17 2jzi h ASN 111 Ca 0.11 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.48 2jzi h ASN 111 Cb 0.11 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.17 2jzi h ASN 111 CO -0.15 0.00 -0.76 0.18 -1.65 0.00 0.00 177.43 175.05 2jzi n LEU 112 N -4.47 4.06 0.00 1.61 4.32 -0.48 -4.72 117.00 117.32 2jzi n LEU 112 Ca 0.02 -4.37 0.00 0.00 -0.02 0.00 0.00 56.01 51.64 2jzi n LEU 112 Cb 0.28 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2jzi n LEU 112 CO 0.35 1.83 0.00 0.61 -1.22 0.00 0.00 177.39 178.96 2jzi n GLY 113 N -0.78 0.43 3.37 -0.72 0.00 0.33 -4.89 105.19 102.93 2jzi n GLY 113 Ca 0.34 0.49 -0.19 0.00 0.00 0.00 0.00 46.02 46.67 2jzi n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jzi s GLU 114 N 2.64 1.48 -0.66 1.61 -1.05 -1.25 -4.89 118.70 116.59 2jzi s GLU 114 Ca 0.00 -1.80 -0.27 0.00 -0.15 0.00 0.00 54.97 52.76 2jzi s GLU 114 Cb 0.00 -0.60 -0.00 0.00 -0.44 0.00 0.00 34.13 33.09 2jzi s GLU 114 CO 0.00 -0.20 1.64 0.21 0.95 0.00 0.00 175.26 177.86 2jzi s LYS 115 N -3.93 2.85 -0.37 -4.83 2.20 -1.26 -3.78 119.74 110.62 2jzi s LYS 115 Ca 0.35 0.29 -0.21 0.00 -0.36 0.00 0.00 55.97 56.04 2jzi s LYS 115 Cb 0.08 -4.31 0.01 0.00 -1.51 0.00 0.00 37.83 32.10 2jzi s LYS 115 CO 0.13 -2.50 0.66 -0.48 -0.36 0.00 0.00 175.35 172.80 2jzi s LEU 116 N 7.78 4.26 1.09 5.43 2.34 -1.26 -5.03 118.68 133.30 2jzi s LEU 116 Ca 0.55 0.13 -0.17 0.00 0.06 0.00 0.00 54.13 54.70 2jzi s LEU 116 Cb -0.11 -2.82 0.24 0.00 -0.56 0.00 0.00 46.19 42.94 2jzi s LEU 116 CO 0.19 -0.64 1.14 -0.89 -1.06 0.00 0.00 176.35 175.09 2jzi s THR 117 N 2.79 1.79 0.41 5.48 2.01 -1.26 -4.34 115.64 122.51 2jzi s THR 117 Ca 0.25 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.46 2jzi s THR 117 Cb -0.14 -2.59 0.41 0.00 0.01 0.00 0.00 72.50 70.19 2jzi s THR 117 CO 0.16 0.00 1.75 0.44 -0.69 0.00 0.00 174.62 176.28 2jzi h ASP 118 N -2.19 0.39 0.48 3.53 5.19 -1.98 0.85 116.42 122.70 2jzi h ASP 118 Ca -0.48 0.09 -0.24 0.00 -0.62 0.00 0.00 57.03 55.78 2jzi h ASP 118 Cb 1.30 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.84 2jzi h ASP 118 CO 0.43 0.04 -1.04 -0.08 -3.12 0.00 0.00 179.24 175.48 2jzi h GLU 119 N 0.33 0.33 -0.06 3.56 4.81 -1.98 -0.95 114.58 120.61 2jzi h GLU 119 Ca 0.62 -0.41 -0.16 0.00 -0.13 0.00 0.00 59.36 59.28 2jzi h GLU 119 Cb 1.68 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 2jzi h GLU 119 CO -0.30 1.12 -0.67 0.93 -0.73 0.00 0.00 179.01 179.37 2jzi h GLU 120 N 0.15 0.25 -0.01 1.92 4.39 -0.25 -0.10 114.58 120.94 2jzi h GLU 120 Ca -0.09 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 2jzi h GLU 120 Cb 1.70 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 2jzi h GLU 120 CO 0.17 0.83 -0.12 0.28 -1.16 0.00 0.00 179.01 179.01 2jzi h VAL 121 N 0.18 1.56 0.21 3.13 2.07 0.39 -2.66 116.25 121.13 2jzi h VAL 121 Ca -0.02 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 2jzi h VAL 121 Cb 1.20 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 2jzi h VAL 121 CO 0.10 0.49 -0.15 0.44 0.02 0.00 0.00 177.57 178.47 2jzi h ASP 122 N -0.60 -0.38 -0.21 0.57 3.32 -1.19 -0.15 116.42 117.78 2jzi h ASP 122 Ca -0.01 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.13 2jzi h ASP 122 Cb 0.86 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2jzi h ASP 122 CO 0.02 -0.23 0.17 1.05 -1.72 0.00 0.00 179.24 178.52 2jzi h GLU 123 N -0.36 0.00 0.01 3.56 -0.00 -1.12 -0.29 114.58 116.39 2jzi h GLU 123 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.10 2jzi h GLU 123 Cb 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.07 2jzi h GLU 123 CO 0.00 0.00 -1.01 1.98 -0.00 0.00 0.00 179.01 179.98 2jzi h MET 124 N 0.00 0.54 -0.47 1.06 4.05 -0.96 -2.86 114.93 116.29 2jzi h MET 124 Ca 0.10 -0.60 -0.13 0.00 -0.28 0.00 0.00 59.70 58.79 2jzi h MET 124 Cb 0.43 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 2jzi h MET 124 CO -0.00 1.22 -0.23 0.82 0.23 0.00 0.00 176.91 178.95 2jzi h ILE 125 N 0.30 1.27 -0.58 1.77 2.04 0.53 0.51 117.51 123.35 2jzi h ILE 125 Ca -0.11 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.29 2jzi h ILE 125 Cb 1.66 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 2jzi h ILE 125 CO 0.19 0.48 0.09 0.03 0.00 0.00 0.00 178.15 178.94 2jzi h ARG 126 N 0.83 0.97 0.06 2.37 3.08 -1.17 0.66 114.38 121.17 2jzi h ARG 126 Ca 0.11 -0.26 -0.26 0.00 0.07 0.00 0.00 59.98 59.63 2jzi h ARG 126 Cb 0.80 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2jzi h ARG 126 CO 0.07 0.92 -1.31 1.05 -1.07 0.00 0.00 179.97 179.63 2jzi h GLU 127 N 0.87 0.14 -0.29 0.04 4.11 -1.45 -3.30 114.58 114.69 2jzi h GLU 127 Ca 0.18 -0.23 -0.11 0.00 0.07 0.00 0.00 59.36 59.26 2jzi h GLU 127 Cb 0.42 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2jzi h GLU 127 CO 0.01 1.02 -0.29 0.00 0.07 0.00 0.00 179.01 179.82 2jzi h ALA 128 N 0.75 0.95 -3.20 1.06 0.00 0.12 -3.44 119.26 115.50 2jzi h ALA 128 Ca -0.14 -0.38 -0.65 0.00 0.00 0.00 0.00 54.91 53.74 2jzi h ALA 128 Cb 1.92 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.49 2jzi h ALA 128 CO 0.15 0.61 -0.61 0.34 0.00 0.00 0.00 179.25 179.74 2jzi s ASP 129 N -6.81 5.47 -0.05 0.00 2.15 0.21 -4.20 116.67 113.44 2jzi s ASP 129 Ca -0.08 0.00 -0.13 0.00 0.43 0.00 0.00 52.55 52.78 2jzi s ASP 129 Cb 0.13 -1.47 -0.31 0.00 -0.30 0.00 0.00 42.92 40.98 2jzi s ASP 129 CO 0.81 0.20 0.69 0.16 -0.17 0.00 0.00 175.17 176.86 2jzi h ILE 130 N 2.82 1.00 0.00 4.11 3.07 -1.85 -3.30 117.51 123.37 2jzi h ILE 130 Ca -0.47 -2.51 0.00 0.00 1.55 0.00 0.00 64.86 63.43 2jzi h ILE 130 Cb 1.17 2.80 0.00 0.00 -0.27 0.00 0.00 36.82 40.52 2jzi h ILE 130 CO 0.64 0.82 0.00 0.47 -1.05 0.00 0.00 178.15 179.03 2jzi n ASP 131 N -3.68 0.13 -3.05 2.16 9.92 -1.26 -4.83 116.55 115.95 2jzi n ASP 131 Ca -0.24 0.53 -0.13 0.00 -0.53 0.00 0.00 54.79 54.43 2jzi n ASP 131 Cb 1.04 -0.56 -0.02 0.00 -0.64 0.00 0.00 41.12 40.94 2jzi n ASP 131 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jzi n GLY 132 N -0.15 -0.48 0.01 0.44 0.00 -1.24 -4.73 105.19 99.04 2jzi n GLY 132 Ca 0.03 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2jzi n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jzi n ASP 133 N -1.82 0.68 0.00 1.61 5.75 -1.26 -4.97 116.55 116.54 2jzi n ASP 133 Ca 0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 2jzi n ASP 133 Cb 0.50 0.92 0.00 0.00 -1.03 0.00 0.00 41.12 41.52 2jzi n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jzi n GLY 134 N 1.42 1.26 3.15 6.12 0.00 -1.26 -5.10 105.19 110.77 2jzi n GLY 134 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2jzi n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jzi s GLN 135 N -0.02 0.47 -0.24 1.61 -2.07 -1.26 -4.41 119.66 113.75 2jzi s GLN 135 Ca 0.00 -0.12 -0.01 0.00 -1.82 0.00 0.00 55.36 53.41 2jzi s GLN 135 Cb 0.00 0.21 0.07 0.00 -1.09 0.00 0.00 33.01 32.20 2jzi s GLN 135 CO 0.00 -0.11 0.02 0.08 -1.32 0.00 0.00 175.29 173.96 2jzi s VAL 136 N -0.91 0.97 0.88 3.63 1.01 -1.26 -4.66 120.40 120.06 2jzi s VAL 136 Ca -0.10 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 2jzi s VAL 136 Cb -0.05 -1.46 0.14 0.00 0.00 0.00 0.00 36.38 35.01 2jzi s VAL 136 CO 0.02 -0.29 1.24 0.21 0.00 0.00 0.00 175.10 176.28 2jzi s ASN 137 N 1.63 3.81 0.04 3.32 2.47 -1.22 -3.84 114.94 121.15 2jzi s ASN 137 Ca 0.00 0.49 -0.10 0.00 0.42 0.00 0.00 52.86 53.68 2jzi s ASN 137 Cb -0.18 -0.76 -0.03 0.00 -1.45 0.00 0.00 41.25 38.83 2jzi s ASN 137 CO -0.11 -2.32 1.16 0.22 -3.72 0.00 0.00 177.10 172.33 2jzi h TYR 138 N -1.33 -0.51 -0.26 0.43 3.20 -1.95 -1.46 116.97 115.09 2jzi h TYR 138 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2jzi h TYR 138 Cb 1.28 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.77 2jzi h TYR 138 CO -0.44 -0.15 0.18 0.93 -1.64 0.00 0.00 178.16 177.04 2jzi h GLU 139 N -0.12 0.34 -0.73 1.82 5.08 -1.97 -0.15 114.58 118.86 2jzi h GLU 139 Ca 0.02 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2jzi h GLU 139 Cb 0.18 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2jzi h GLU 139 CO -0.18 0.23 0.41 1.49 -1.00 0.00 0.00 179.01 179.96 2jzi h GLU 140 N 0.35 0.70 0.03 2.33 4.81 -1.64 -0.91 114.58 120.26 2jzi h GLU 140 Ca 0.10 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.07 2jzi h GLU 140 Cb -0.03 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2jzi h GLU 140 CO -0.02 0.47 -1.01 0.35 -0.73 0.00 0.00 179.01 178.07 2jzi h PHE 141 N 0.72 0.18 -0.11 0.92 3.57 -0.53 -3.27 116.94 118.42 2jzi h PHE 141 Ca 0.34 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2jzi h PHE 141 Cb 0.25 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 2jzi h PHE 141 CO -0.07 1.04 -0.15 0.28 -2.23 0.00 0.00 178.31 177.18 2jzi h VAL 142 N 0.04 0.61 -0.42 1.41 2.07 0.22 0.71 116.25 120.89 2jzi h VAL 142 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2jzi h VAL 142 Cb 1.72 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 2jzi h VAL 142 CO 0.15 0.00 0.18 1.56 0.02 0.00 0.00 177.57 179.47 2jzi h GLN 143 N -0.19 0.35 -0.05 1.57 4.20 -1.33 -1.54 115.11 118.12 2jzi h GLN 143 Ca 0.09 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 2jzi h GLN 143 Cb 0.31 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2jzi h GLN 143 CO -0.22 0.23 -0.42 1.98 -0.67 0.00 0.00 178.83 179.73 2jzi h MET 144 N 0.36 0.11 -0.35 1.46 4.05 -1.49 -1.06 114.93 118.01 2jzi h MET 144 Ca 0.19 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2jzi h MET 144 Cb 0.15 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2jzi h MET 144 CO -0.17 0.51 0.19 1.98 0.23 0.00 0.00 176.91 179.65 2jzi h MET 145 N 0.09 0.48 0.01 0.39 1.85 0.14 -2.85 114.93 115.04 2jzi h MET 145 Ca 0.01 -0.06 -0.19 0.00 -0.61 0.00 0.00 59.70 58.85 2jzi h MET 145 Cb 0.78 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.70 2jzi h MET 145 CO 0.06 0.40 -0.88 0.00 -0.40 0.00 0.00 176.91 176.09 2jzi h THR 146 N 0.44 1.58 -4.13 -0.77 1.03 -1.26 -3.46 112.91 106.34 2jzi h THR 146 Ca 0.12 -2.87 -0.54 0.00 -0.01 0.00 0.00 66.41 63.11 2jzi h THR 146 Cb 0.06 2.58 0.18 0.00 -1.07 0.00 0.00 68.15 69.89 2jzi h THR 146 CO -0.02 0.83 0.36 0.00 -0.01 0.00 0.00 175.52 176.67 2jzi n ALA 147 N -2.41 0.24 0.70 0.00 0.00 -0.41 -5.12 120.51 113.51 2jzi n ALA 147 Ca -0.02 -0.24 0.08 0.00 0.00 0.00 0.00 53.44 53.27 2jzi n ALA 147 Cb 0.83 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 18.09 2jzi n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86