#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x02 h ASP 2 N 0.00 0.00 -0.40 0.00 3.32 -2.10 -2.20 116.42 115.03 1x02 h ASP 2 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1x02 h ASP 2 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1x02 h ASP 2 CO 0.00 0.23 0.07 0.00 -1.72 0.00 0.00 179.24 177.82 1x02 n GLN 3 N -3.71 3.12 -2.90 3.56 6.02 -1.26 -4.27 117.38 117.94 1x02 n GLN 3 Ca -0.01 -1.94 -0.19 0.00 -0.01 0.00 0.00 57.00 54.85 1x02 n GLN 3 Cb 0.34 -1.93 -0.01 0.00 1.02 0.00 0.00 30.24 29.65 1x02 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x02 n LEU 4 N 0.22 2.29 0.00 1.08 4.77 -0.83 -4.84 117.00 119.69 1x02 n LEU 4 Ca 0.21 -4.85 -0.09 0.00 -0.03 0.00 0.00 56.01 51.25 1x02 n LEU 4 Cb 0.91 0.22 0.06 0.00 -2.33 0.00 0.00 43.42 42.28 1x02 n LEU 4 CO 0.23 2.11 0.27 0.41 -1.33 0.00 0.00 177.39 179.09 1x02 n THR 5 N -0.02 0.00 -0.55 -5.08 -1.04 -1.26 -4.22 114.28 102.11 1x02 n THR 5 Ca 0.24 -0.34 0.42 0.00 -2.04 0.00 0.00 64.05 62.33 1x02 n THR 5 Cb 0.64 -1.78 0.64 0.00 -1.82 0.00 0.00 70.33 68.02 1x02 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x02 n GLU 6 N -1.88 0.00 0.12 -2.82 -0.58 -1.26 0.14 120.64 114.36 1x02 n GLU 6 Ca 0.05 0.86 -0.13 0.00 -0.42 0.00 0.00 57.16 57.52 1x02 n GLU 6 Cb 0.19 -2.00 -0.08 0.00 -0.57 0.00 0.00 31.44 28.98 1x02 n GLU 6 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1x02 h GLU 7 N 0.00 -0.22 0.01 3.49 9.09 -1.98 -1.90 114.58 123.08 1x02 h GLU 7 Ca 0.73 0.01 -0.00 0.00 0.05 0.00 0.00 59.36 60.16 1x02 h GLU 7 Cb 2.99 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 30.14 1x02 h GLU 7 CO -0.01 -0.13 -0.00 1.96 0.05 0.00 0.00 179.01 180.88 1x02 h GLN 8 N -0.25 -0.01 -0.88 1.06 1.08 0.97 -3.25 115.11 113.83 1x02 h GLN 8 Ca -0.02 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.40 1x02 h GLN 8 Cb 0.19 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.46 1x02 h GLN 8 CO 0.04 0.84 0.02 0.82 -0.95 0.00 0.00 178.83 179.59 1x02 h ILE 9 N -0.90 0.18 -0.89 2.54 2.04 -1.33 0.61 117.51 119.76 1x02 h ILE 9 Ca -0.00 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1x02 h ILE 9 Cb 0.85 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1x02 h ILE 9 CO 0.00 0.01 0.59 0.00 0.00 0.00 0.00 178.15 178.75 1x02 h ALA 10 N 1.85 1.14 0.25 1.87 0.00 -1.45 0.38 119.26 123.29 1x02 h ALA 10 Ca 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1x02 h ALA 10 Cb 0.97 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1x02 h ALA 10 CO -0.80 0.51 -0.12 0.93 0.00 0.00 0.00 179.25 179.77 1x02 h GLU 11 N 1.19 -0.32 0.00 0.00 4.39 0.06 0.85 114.58 120.75 1x02 h GLU 11 Ca 0.33 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 1x02 h GLU 11 Cb -0.11 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1x02 h GLU 11 CO -0.08 0.00 -0.13 0.74 -1.16 0.00 0.00 179.01 178.38 1x02 h PHE 12 N -0.66 0.00 0.13 4.33 0.04 -0.71 -1.84 116.94 118.22 1x02 h PHE 12 Ca -0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1x02 h PHE 12 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1x02 h PHE 12 CO 0.03 0.13 -0.06 -0.22 -0.60 0.00 0.00 178.31 177.58 1x02 h LYS 13 N 0.00 -0.17 -0.88 1.51 3.64 -0.10 -3.01 116.57 117.55 1x02 h LYS 13 Ca -0.00 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.54 1x02 h LYS 13 Cb 0.32 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1x02 h LYS 13 CO 0.02 -0.02 0.48 0.93 -2.27 0.00 0.00 179.45 178.59 1x02 h GLU 14 N -1.03 0.66 0.00 1.90 4.39 -0.79 0.92 114.58 120.64 1x02 h GLU 14 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1x02 h GLU 14 Cb 0.24 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1x02 h GLU 14 CO 0.03 0.44 0.00 0.00 -1.16 0.00 0.00 179.01 178.32 1x02 h ALA 15 N 1.56 1.00 0.00 3.43 0.00 -1.45 -2.15 119.26 121.65 1x02 h ALA 15 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1x02 h ALA 15 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x02 h ALA 15 CO -0.35 0.00 -1.46 0.34 0.00 0.00 0.00 179.25 177.78 1x02 n PHE 16 N -2.44 0.00 -0.01 0.00 -0.00 0.17 -4.43 117.46 110.76 1x02 n PHE 16 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.29 1x02 n PHE 16 Cb 0.20 -0.27 -0.14 0.00 -0.00 0.00 0.00 39.48 39.28 1x02 n PHE 16 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1x02 h SER 17 N 0.00 0.22 -0.84 -2.13 0.87 0.11 -3.19 113.55 108.59 1x02 h SER 17 Ca 0.00 -0.96 0.16 0.00 -1.23 0.00 0.00 61.79 59.76 1x02 h SER 17 Cb 0.62 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 1x02 h SER 17 CO 0.00 1.21 0.55 0.17 -0.53 0.00 0.00 176.83 178.23 1x02 h LEU 18 N -0.70 0.50 0.22 2.23 -0.00 -1.65 -2.06 115.31 113.86 1x02 h LEU 18 Ca -0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 1x02 h LEU 18 Cb 1.32 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1x02 h LEU 18 CO 0.06 0.25 -0.10 -0.26 -0.00 0.00 0.00 178.44 178.38 1x02 h PHE 19 N 0.53 -0.27 -1.11 0.17 0.04 -1.77 -3.39 116.94 111.12 1x02 h PHE 19 Ca 0.42 -0.01 -0.29 0.00 2.80 0.00 0.00 57.97 60.90 1x02 h PHE 19 Cb 0.86 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 1x02 h PHE 19 CO -0.00 0.04 0.93 0.34 -0.60 0.00 0.00 178.31 179.02 1x02 s ASP 20 N -5.19 4.40 -0.06 2.17 2.15 -0.77 -4.75 116.67 114.63 1x02 s ASP 20 Ca -0.15 0.44 -0.16 0.00 0.43 0.00 0.00 52.55 53.12 1x02 s ASP 20 Cb 0.03 -2.53 -0.30 0.00 -0.30 0.00 0.00 42.92 39.82 1x02 s ASP 20 CO 0.59 -3.18 0.72 0.11 -0.17 0.00 0.00 175.17 173.25 1x02 h LYS 21 N 15.75 0.35 -0.02 4.34 1.79 -1.80 -3.36 116.57 133.62 1x02 h LYS 21 Ca -0.12 -0.59 0.01 0.00 -2.18 0.00 0.00 60.65 57.76 1x02 h LYS 21 Cb 1.13 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 1x02 h LYS 21 CO 1.12 1.28 -0.01 -0.44 -1.08 0.00 0.00 179.45 180.32 1x02 h ASP 22 N -0.13 -0.04 0.00 0.86 3.32 -1.94 -3.47 116.42 115.02 1x02 h ASP 22 Ca -0.28 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1x02 h ASP 22 Cb 1.90 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.47 1x02 h ASP 22 CO 0.15 -0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1x02 n GLY 23 N -1.11 0.94 0.50 2.75 0.00 -1.26 -5.05 105.19 101.96 1x02 n GLY 23 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1x02 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x02 n ASP 24 N 0.00 1.25 0.00 1.61 8.00 -1.26 -5.05 116.55 121.10 1x02 n ASP 24 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1x02 n ASP 24 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1x02 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x02 n GLY 25 N 2.24 0.99 2.99 0.44 0.00 -1.26 -5.15 105.19 105.43 1x02 n GLY 25 Ca -0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1x02 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 26 N -0.99 0.09 -0.34 2.61 -4.23 -1.26 -4.17 115.64 107.37 1x02 s THR 26 Ca 0.00 -0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1x02 s THR 26 Cb 0.00 -0.26 0.07 0.00 1.34 0.00 0.00 72.50 73.65 1x02 s THR 26 CO 0.00 -0.43 0.07 -0.63 -0.54 0.00 0.00 174.62 173.08 1x02 s ILE 27 N -1.29 3.03 0.30 2.99 1.01 -0.21 -4.69 121.20 122.33 1x02 s ILE 27 Ca -0.14 -1.66 0.08 0.00 0.00 0.00 0.00 60.65 58.93 1x02 s ILE 27 Cb -0.09 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1x02 s ILE 27 CO -0.01 -0.32 0.13 0.28 0.00 0.00 0.00 174.94 175.03 1x02 s THR 28 N 1.19 3.46 0.31 2.92 -1.32 -1.26 -2.67 115.64 118.27 1x02 s THR 28 Ca 0.00 -1.65 0.16 0.00 -1.21 0.00 0.00 61.69 58.99 1x02 s THR 28 Cb -0.21 -3.05 0.31 0.00 -1.51 0.00 0.00 72.50 68.04 1x02 s THR 28 CO -0.03 -0.26 1.35 0.35 -2.21 0.00 0.00 174.62 173.82 1x02 n THR 29 N -1.12 -0.36 -0.22 5.08 -2.24 -1.26 0.20 114.28 114.36 1x02 n THR 29 Ca -0.05 1.75 -0.03 0.00 -2.27 0.00 0.00 64.05 63.46 1x02 n THR 29 Cb 0.60 -2.81 0.08 0.00 -2.10 0.00 0.00 70.33 66.10 1x02 n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1x02 h LYS 30 N 0.00 0.66 0.00 -0.78 1.63 -1.96 0.51 116.57 116.62 1x02 h LYS 30 Ca 0.70 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.39 1x02 h LYS 30 Cb 1.81 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.28 1x02 h LYS 30 CO -0.68 0.43 -0.52 0.93 -3.45 0.00 0.00 179.45 176.16 1x02 h GLU 31 N 0.68 0.00 -0.89 1.90 5.08 0.19 -3.11 114.58 118.42 1x02 h GLU 31 Ca 0.28 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.80 1x02 h GLU 31 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 1x02 h GLU 31 CO -0.16 0.50 0.58 1.25 -1.00 0.00 0.00 179.01 180.18 1x02 h LEU 32 N -1.00 0.59 -0.04 1.33 5.85 -0.10 0.30 115.31 122.23 1x02 h LEU 32 Ca -0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1x02 h LEU 32 Cb 0.74 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1x02 h LEU 32 CO -0.06 0.27 0.00 1.23 -0.34 0.00 0.00 178.44 179.54 1x02 h GLY 33 N 0.61 0.00 1.82 3.75 0.00 -0.13 -1.22 103.07 107.90 1x02 h GLY 33 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.67 1x02 h GLY 33 CO -0.21 0.00 -0.68 0.00 0.00 0.00 0.00 176.54 175.66 1x02 h THR 34 N 0.00 0.81 0.00 4.70 1.03 -0.34 -3.10 112.91 116.02 1x02 h THR 34 Ca 0.00 -2.20 -0.18 0.00 -0.01 0.00 0.00 66.41 64.02 1x02 h THR 34 Cb 0.77 2.36 -0.03 0.00 -1.07 0.00 0.00 68.15 70.18 1x02 h THR 34 CO 0.00 0.46 -2.07 0.52 -0.01 0.00 0.00 175.52 174.43 1x02 n VAL 35 N -3.16 0.67 -0.06 0.00 0.31 -0.91 -4.23 118.33 110.95 1x02 n VAL 35 Ca -0.00 -0.61 -0.14 0.00 -0.01 0.00 0.00 64.34 63.58 1x02 n VAL 35 Cb 0.76 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.40 1x02 n VAL 35 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1x02 h MET 36 N 0.00 0.81 0.00 5.55 2.86 -1.33 -2.85 114.93 119.97 1x02 h MET 36 Ca -0.27 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 56.85 1x02 h MET 36 Cb 1.55 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1x02 h MET 36 CO 0.01 1.15 0.00 2.89 1.06 0.00 0.00 176.91 182.02 1x02 n ARG 37 N -3.99 0.08 0.21 1.72 -4.01 -1.17 -2.43 116.66 107.07 1x02 n ARG 37 Ca -0.04 0.24 0.11 0.00 -1.04 0.00 0.00 57.85 57.11 1x02 n ARG 37 Cb 0.63 -1.63 0.25 0.00 -3.04 0.00 0.00 32.46 28.67 1x02 n ARG 37 CO 0.00 0.00 0.00 0.77 -3.04 0.00 0.00 177.63 175.36 1x02 h SER 38 N 0.00 0.00 0.23 2.89 0.02 -1.67 -3.25 113.55 111.76 1x02 h SER 38 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1x02 h SER 38 Cb 0.39 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1x02 h SER 38 CO 0.00 0.12 -2.07 0.18 -1.14 0.00 0.00 176.83 173.92 1x02 n LEU 39 N -3.15 0.55 0.00 5.07 4.77 -1.04 -4.99 117.00 118.21 1x02 n LEU 39 Ca 0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1x02 n LEU 39 Cb 0.52 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1x02 n LEU 39 CO 0.34 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1x02 n GLY 40 N 1.68 0.92 0.20 -0.72 0.00 -1.16 -5.09 105.19 101.01 1x02 n GLY 40 Ca -0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 1x02 n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x02 n GLN 41 N 0.00 0.28 -3.56 1.61 1.13 -1.02 -5.02 117.38 110.80 1x02 n GLN 41 Ca 0.00 0.11 -0.20 0.00 -1.94 0.00 0.00 57.00 54.97 1x02 n GLN 41 Cb 0.00 -0.96 0.06 0.00 0.11 0.00 0.00 30.24 29.45 1x02 n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x02 n ASN 42 N -3.62 -2.28 -4.76 1.08 3.02 -1.26 -4.93 115.26 102.52 1x02 n ASN 42 Ca -0.07 -0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 53.32 1x02 n ASN 42 Cb 0.27 -4.51 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x02 s PRO 43 N -5.59 4.44 0.81 3.52 0.04 -1.26 -5.02 135.00 131.94 1x02 s PRO 43 Ca 0.08 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 1x02 s PRO 43 Cb -0.02 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.46 1x02 s PRO 43 CO 0.78 -0.09 1.09 0.95 0.04 0.00 0.00 177.00 179.76 1x02 s THR 44 N -0.79 3.14 0.17 1.26 -4.23 -1.26 -4.64 115.64 109.29 1x02 s THR 44 Ca 0.50 0.37 -0.25 0.00 -1.18 0.00 0.00 61.69 61.13 1x02 s THR 44 Cb -0.37 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 70.57 1x02 s THR 44 CO 0.45 -0.48 1.57 -0.33 -0.54 0.00 0.00 174.62 175.29 1x02 h GLU 45 N -1.21 -0.22 -0.86 3.99 5.08 -1.98 0.57 114.58 119.94 1x02 h GLU 45 Ca -0.46 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1x02 h GLU 45 Cb 1.25 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1x02 h GLU 45 CO 0.55 -0.15 0.59 0.00 -1.00 0.00 0.00 179.01 179.01 1x02 h ALA 46 N 0.67 2.45 0.05 3.43 0.00 -1.99 0.17 119.26 124.04 1x02 h ALA 46 Ca 0.18 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 1x02 h ALA 46 Cb 0.56 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1x02 h ALA 46 CO -0.67 -0.71 -1.02 0.93 0.00 0.00 0.00 179.25 177.78 1x02 h GLU 47 N 0.23 0.60 -0.41 0.00 4.39 -0.37 -2.48 114.58 116.55 1x02 h GLU 47 Ca 0.44 -0.72 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 1x02 h GLU 47 Cb 1.34 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 30.19 1x02 h GLU 47 CO -0.11 1.30 0.03 -0.07 -1.16 0.00 0.00 179.01 179.01 1x02 h LEU 48 N 0.22 0.68 -0.58 1.33 3.38 0.13 -1.47 115.31 119.00 1x02 h LEU 48 Ca -0.14 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1x02 h LEU 48 Cb 1.71 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1x02 h LEU 48 CO 0.20 0.80 0.06 1.56 0.09 0.00 0.00 178.44 181.15 1x02 h GLN 49 N 0.54 0.98 -0.41 1.13 1.08 -0.85 0.40 115.11 117.98 1x02 h GLN 49 Ca 0.12 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 1x02 h GLN 49 Cb 0.43 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1x02 h GLN 49 CO 0.01 0.95 -0.01 -0.44 -0.95 0.00 0.00 178.83 178.39 1x02 h ASP 50 N 0.88 0.63 -0.02 1.46 3.32 -1.33 0.25 116.42 121.61 1x02 h ASP 50 Ca 0.17 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1x02 h ASP 50 Cb 0.46 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.85 1x02 h ASP 50 CO 0.02 0.71 -0.41 0.24 -1.72 0.00 0.00 179.24 178.08 1x02 h MET 51 N 0.63 0.32 -0.35 3.56 2.86 -1.01 -2.74 114.93 118.20 1x02 h MET 51 Ca 0.13 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 1x02 h MET 51 Cb 0.41 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1x02 h MET 51 CO 0.02 0.99 -0.03 0.82 1.06 0.00 0.00 176.91 179.77 1x02 h ILE 52 N -0.23 1.27 -0.47 -1.22 2.04 -0.82 -2.91 117.51 115.17 1x02 h ILE 52 Ca -0.05 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1x02 h ILE 52 Cb 1.12 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1x02 h ILE 52 CO 0.08 0.35 0.27 0.78 0.00 0.00 0.00 178.15 179.63 1x02 h ASN 53 N 0.45 0.55 -0.20 1.72 2.35 -0.61 0.35 115.58 120.19 1x02 h ASN 53 Ca 0.10 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1x02 h ASN 53 Cb 0.51 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1x02 h ASN 53 CO 0.02 0.43 0.11 -0.33 -1.65 0.00 0.00 177.43 176.02 1x02 h GLU 54 N 0.64 0.23 0.06 0.81 4.39 -1.28 -2.91 114.58 116.51 1x02 h GLU 54 Ca 0.17 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.62 1x02 h GLU 54 Cb -0.02 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1x02 h GLU 54 CO -0.03 0.15 -1.07 0.28 -1.16 0.00 0.00 179.01 177.18 1x02 h VAL 55 N 0.24 1.56 -0.01 3.13 2.07 -1.38 -3.45 116.25 118.41 1x02 h VAL 55 Ca 0.08 -3.03 -0.59 0.00 0.82 0.00 0.00 66.70 63.98 1x02 h VAL 55 Cb -0.00 2.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1x02 h VAL 55 CO -0.04 0.88 1.61 -0.67 0.02 0.00 0.00 177.57 179.37 1x02 n ASP 56 N -3.52 0.46 -0.05 0.57 2.03 0.12 -4.77 116.55 111.39 1x02 n ASP 56 Ca -0.05 0.34 -0.05 0.00 0.52 0.00 0.00 54.79 55.56 1x02 n ASP 56 Cb 0.94 -0.92 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x02 n ALA 57 N 9.53 0.46 -0.24 -1.67 0.00 -1.26 -4.51 120.51 122.81 1x02 n ALA 57 Ca 0.62 -0.55 0.24 0.00 0.00 0.00 0.00 53.44 53.75 1x02 n ALA 57 Cb 0.01 0.02 0.44 0.00 0.00 0.00 0.00 19.45 19.91 1x02 n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x02 n ASP 58 N -3.52 0.25 -0.08 0.00 8.00 -1.26 -4.75 116.55 115.19 1x02 n ASP 58 Ca -0.07 1.26 0.00 0.00 0.71 0.00 0.00 54.79 56.69 1x02 n ASP 58 Cb 0.27 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1x02 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x02 n GLY 59 N -1.21 0.94 0.09 0.44 0.00 -1.26 -5.03 105.19 99.16 1x02 n GLY 59 Ca 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1x02 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 60 N 0.19 3.32 0.00 1.61 6.94 -1.26 -5.07 115.26 120.99 1x02 n ASN 60 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1x02 n ASN 60 Cb 0.08 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1x02 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 61 N 3.19 3.69 3.81 4.83 0.00 -1.26 -5.11 105.19 114.35 1x02 n GLY 61 Ca -0.10 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1x02 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 62 N 0.00 4.66 0.58 2.61 -4.23 -1.26 -4.61 115.64 113.39 1x02 s THR 62 Ca 0.00 1.26 -0.19 0.00 -1.18 0.00 0.00 61.69 61.58 1x02 s THR 62 Cb 0.00 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1x02 s THR 62 CO 0.00 0.45 1.20 -0.63 -0.54 0.00 0.00 174.62 175.10 1x02 s ILE 63 N -1.23 2.72 0.21 2.99 1.01 -1.09 -4.81 121.20 121.00 1x02 s ILE 63 Ca 0.34 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.46 1x02 s ILE 63 Cb -0.19 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1x02 s ILE 63 CO 0.21 -0.09 0.07 0.47 0.00 0.00 0.00 174.94 175.59 1x02 n ASP 64 N -1.50 1.21 -0.08 3.58 9.92 -1.26 -1.05 116.55 127.36 1x02 n ASP 64 Ca 0.13 -2.12 -0.09 0.00 -0.53 0.00 0.00 54.79 52.19 1x02 n ASP 64 Cb 0.50 0.50 -0.01 0.00 -0.64 0.00 0.00 41.12 41.47 1x02 n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1x02 h PHE 65 N 1.33 0.31 0.03 1.24 3.57 -1.97 0.13 116.94 121.58 1x02 h PHE 65 Ca -0.17 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1x02 h PHE 65 Cb 0.63 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1x02 h PHE 65 CO 0.00 0.18 -0.02 -1.00 -2.23 0.00 0.00 178.31 175.25 1x02 h PRO 66 N 0.34 -0.04 -0.77 6.41 0.13 -1.97 -3.17 132.00 132.94 1x02 h PRO 66 Ca 0.12 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1x02 h PRO 66 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.10 1x02 h PRO 66 CO -0.06 0.42 0.49 0.93 -0.23 0.00 0.00 178.00 179.56 1x02 h GLU 67 N -0.53 0.93 -0.46 0.86 5.08 -1.86 -2.64 114.58 115.95 1x02 h GLU 67 Ca -0.00 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1x02 h GLU 67 Cb 0.49 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1x02 h GLU 67 CO 0.01 0.61 -0.13 0.35 -1.00 0.00 0.00 179.01 178.85 1x02 h PHE 68 N 0.95 -0.27 -0.89 4.33 3.04 -0.78 -0.69 116.94 122.63 1x02 h PHE 68 Ca 0.31 0.04 0.36 0.00 3.98 0.00 0.00 57.97 62.65 1x02 h PHE 68 Cb 0.01 0.19 -0.16 0.00 2.56 0.00 0.00 35.95 38.55 1x02 h PHE 68 CO -0.03 -0.21 0.41 1.28 -2.02 0.00 0.00 178.31 177.74 1x02 n LEU 69 N -5.35 0.25 -0.03 0.59 4.77 -0.99 0.13 117.00 116.37 1x02 n LEU 69 Ca 0.04 1.49 -0.10 0.00 -0.03 0.00 0.00 56.01 57.40 1x02 n LEU 69 Cb 0.26 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 1x02 n LEU 69 CO 0.12 -1.64 0.92 0.74 -1.33 0.00 0.00 177.39 176.20 1x02 h THR 70 N 0.00 1.01 -0.65 -5.08 2.02 -1.24 -2.62 112.91 106.36 1x02 h THR 70 Ca 0.73 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.92 1x02 h THR 70 Cb 1.87 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 69.02 1x02 h THR 70 CO -0.71 0.03 0.30 -0.03 0.37 0.00 0.00 175.52 175.49 1x02 h MET 71 N 0.19 0.52 -1.00 6.66 1.85 0.10 -1.19 114.93 122.06 1x02 h MET 71 Ca 0.07 -0.03 0.11 0.00 -0.61 0.00 0.00 59.70 59.23 1x02 h MET 71 Cb 0.00 -0.12 -0.08 0.00 0.43 0.00 0.00 31.60 31.84 1x02 h MET 71 CO -0.04 0.35 0.64 0.52 -0.40 0.00 0.00 176.91 177.97 1x02 h MET 72 N 0.54 1.01 -0.48 0.39 2.07 -1.09 0.77 114.93 118.13 1x02 h MET 72 Ca 0.31 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.87 1x02 h MET 72 Cb 0.32 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.80 1x02 h MET 72 CO -0.25 0.67 0.26 0.00 1.07 0.00 0.00 176.91 178.66 1x02 h ALA 73 N 1.52 0.61 -0.58 6.32 0.00 -0.91 0.24 119.26 126.47 1x02 h ALA 73 Ca 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x02 h ALA 73 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x02 h ALA 73 CO -0.24 0.14 0.00 2.89 0.00 0.00 0.00 179.25 182.03 1x02 n ARG 74 N -4.67 4.60 0.00 0.00 -4.01 -0.65 -4.15 116.66 107.78 1x02 n ARG 74 Ca 0.02 -3.02 0.00 0.00 -1.04 0.00 0.00 57.85 53.81 1x02 n ARG 74 Cb 0.08 -2.18 0.00 0.00 -3.04 0.00 0.00 32.46 27.32 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1x02 n LYS 75 N 0.71 2.75 -0.35 2.89 3.00 0.26 -4.72 118.16 122.70 1x02 n LYS 75 Ca 0.27 0.00 0.25 0.00 -0.00 0.00 0.00 58.31 58.83 1x02 n LYS 75 Cb 1.12 -0.91 0.51 0.00 0.00 0.00 0.00 35.03 35.75 1x02 n LYS 75 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1x02 h MET 76 N 0.00 0.34 -0.62 1.64 2.86 -0.70 0.62 114.93 119.07 1x02 h MET 76 Ca 0.00 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1x02 h MET 76 Cb 0.62 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1x02 h MET 76 CO 0.00 0.22 0.24 1.57 1.06 0.00 0.00 176.91 180.00 1x02 h LYS 77 N 0.35 0.90 -0.03 1.72 5.09 -1.84 0.37 116.57 123.13 1x02 h LYS 77 Ca 0.67 -0.15 0.01 0.00 0.09 0.00 0.00 60.65 61.27 1x02 h LYS 77 Cb 1.71 -0.16 -0.00 0.00 0.10 0.00 0.00 32.23 33.88 1x02 h LYS 77 CO -0.40 0.74 0.15 -0.44 -2.09 0.00 0.00 179.45 177.42 1x02 h ASP 78 N 0.89 0.00 0.00 7.07 5.19 -0.04 -1.64 116.42 127.88 1x02 h ASP 78 Ca 0.21 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 1x02 h ASP 78 Cb 0.18 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 1x02 h ASP 78 CO -0.02 0.00 -0.45 0.41 -3.12 0.00 0.00 179.24 176.06 1x02 n THR 79 N -3.13 0.62 -0.43 0.35 -1.04 -0.63 -4.86 114.28 105.17 1x02 n THR 79 Ca -0.02 -0.93 0.37 0.00 -2.04 0.00 0.00 64.05 61.43 1x02 n THR 79 Cb 0.22 0.33 0.65 0.00 -1.82 0.00 0.00 70.33 69.71 1x02 n THR 79 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1x02 h ASP 80 N 0.21 0.24 -1.61 8.00 3.58 0.70 0.21 116.42 127.75 1x02 h ASP 80 Ca -0.03 0.18 0.47 0.00 0.42 0.00 0.00 57.03 58.07 1x02 h ASP 80 Cb 1.34 0.18 -0.07 0.00 1.72 0.00 0.00 39.33 42.51 1x02 h ASP 80 CO 0.01 -0.29 1.16 -1.20 -2.88 0.00 0.00 179.24 176.04 1x02 n SER 81 N -4.87 0.00 -0.22 2.28 7.64 -1.26 -1.04 113.62 116.15 1x02 n SER 81 Ca 0.39 0.82 0.07 0.00 1.01 0.00 0.00 58.87 61.16 1x02 n SER 81 Cb 1.47 -0.41 0.15 0.00 -1.01 0.00 0.00 64.21 64.40 1x02 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1x02 n GLU 82 N -3.58 -0.05 0.07 1.43 2.13 0.74 0.18 120.64 121.57 1x02 n GLU 82 Ca 0.36 0.97 -0.12 0.00 0.66 0.00 0.00 57.16 59.03 1x02 n GLU 82 Cb 1.65 -1.51 -0.07 0.00 0.27 0.00 0.00 31.44 31.78 1x02 n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1x02 h GLU 83 N 0.00 -0.11 -1.20 5.31 5.08 -1.36 -1.95 114.58 120.35 1x02 h GLU 83 Ca 0.35 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 59.07 1x02 h GLU 83 Cb 0.66 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 1x02 h GLU 83 CO -0.63 -0.07 1.23 0.93 -1.00 0.00 0.00 179.01 179.47 1x02 h GLU 84 N -0.12 0.00 0.08 2.33 4.39 0.17 0.92 114.58 122.36 1x02 h GLU 84 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 1x02 h GLU 84 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1x02 h GLU 84 CO -0.01 0.00 -1.01 0.82 -1.16 0.00 0.00 179.01 177.65 1x02 h ILE 85 N 0.00 1.25 -0.89 3.13 2.04 -1.24 -3.37 117.51 118.43 1x02 h ILE 85 Ca 0.57 -2.39 0.17 0.00 1.00 0.00 0.00 64.86 64.21 1x02 h ILE 85 Cb 3.03 2.86 -0.16 0.00 -0.74 0.00 0.00 36.82 41.81 1x02 h ILE 85 CO -0.01 0.63 -0.26 0.03 0.00 0.00 0.00 178.15 178.54 1x02 h ARG 86 N -0.55 -0.01 -1.02 2.37 -0.00 0.10 0.87 114.38 116.14 1x02 h ARG 86 Ca -0.22 0.00 0.25 0.00 -0.50 0.00 0.00 59.98 59.51 1x02 h ARG 86 Cb 1.53 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 31.40 1x02 h ARG 86 CO 0.03 -0.01 0.64 0.93 0.00 0.00 0.00 179.97 181.55 1x02 h GLU 87 N -0.01 0.48 -0.21 0.04 4.39 -1.68 0.55 114.58 118.14 1x02 h GLU 87 Ca 0.40 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.02 1x02 h GLU 87 Cb 0.64 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1x02 h GLU 87 CO -0.92 0.32 -0.07 0.00 -1.16 0.00 0.00 179.01 177.18 1x02 h ALA 88 N 1.67 0.30 -0.86 3.43 0.00 0.59 -2.75 119.26 121.63 1x02 h ALA 88 Ca 0.61 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1x02 h ALA 88 Cb 1.35 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1x02 h ALA 88 CO -0.37 0.10 0.56 0.35 0.00 0.00 0.00 179.25 179.89 1x02 h PHE 89 N 0.14 0.88 0.07 0.00 3.57 -0.36 -2.30 116.94 118.94 1x02 h PHE 89 Ca 0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1x02 h PHE 89 Cb 0.54 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1x02 h PHE 89 CO 0.06 0.40 -0.03 0.00 -2.23 0.00 0.00 178.31 176.50 1x02 h ARG 90 N 0.81 -0.09 -0.84 1.11 3.08 -1.23 -2.89 114.38 114.33 1x02 h ARG 90 Ca 0.40 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.61 1x02 h ARG 90 Cb 0.46 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 30.37 1x02 h ARG 90 CO -0.17 0.18 -0.28 0.28 -1.07 0.00 0.00 179.97 178.92 1x02 h VAL 91 N -0.37 0.11 -0.74 2.04 2.07 -1.12 0.37 116.25 118.62 1x02 h VAL 91 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1x02 h VAL 91 Cb 0.32 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1x02 h VAL 91 CO 0.02 0.00 0.47 -0.26 0.02 0.00 0.00 177.57 177.82 1x02 h PHE 92 N -0.03 0.89 -0.54 1.57 -1.00 -1.50 -3.34 116.94 112.98 1x02 h PHE 92 Ca 0.37 0.02 -0.31 0.00 2.81 0.00 0.00 57.97 60.86 1x02 h PHE 92 Cb 0.61 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.83 1x02 h PHE 92 CO -0.72 0.52 0.93 0.34 -1.61 0.00 0.00 178.31 177.77 1x02 s ASP 93 N -5.80 5.02 0.08 2.17 2.15 0.13 -4.46 116.67 115.96 1x02 s ASP 93 Ca -0.13 -1.31 -0.27 0.00 0.43 0.00 0.00 52.55 51.27 1x02 s ASP 93 Cb 0.15 -2.58 -0.11 0.00 -0.30 0.00 0.00 42.92 40.08 1x02 s ASP 93 CO 0.78 -3.02 1.43 0.11 -0.17 0.00 0.00 175.17 174.30 1x02 h LYS 94 N 10.31 -0.54 -1.00 4.34 1.57 -1.75 -1.81 116.57 127.69 1x02 h LYS 94 Ca 0.17 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.09 1x02 h LYS 94 Cb 0.96 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.31 1x02 h LYS 94 CO 1.21 -0.36 0.64 0.38 -0.57 0.00 0.00 179.45 180.75 1x02 h ASP 95 N -0.56 0.96 -1.05 0.86 3.04 -1.93 -3.47 116.42 114.27 1x02 h ASP 95 Ca 0.00 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 1x02 h ASP 95 Cb 0.58 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.71 1x02 h ASP 95 CO -0.25 0.54 0.00 0.61 -2.04 0.00 0.00 179.24 178.10 1x02 n GLY 96 N -1.35 0.89 0.18 7.15 0.00 -0.68 -5.00 105.19 106.37 1x02 n GLY 96 Ca 0.18 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1x02 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 97 N 1.03 2.01 0.00 1.61 6.94 -1.26 -5.05 115.26 120.54 1x02 n ASN 97 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1x02 n ASN 97 Cb 0.46 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1x02 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 98 N 2.02 2.58 3.76 4.83 0.00 -1.26 -5.13 105.19 111.99 1x02 n GLY 98 Ca -0.43 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1x02 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x02 s TYR 99 N 0.00 3.43 -0.61 1.61 1.51 -1.26 -3.25 117.35 118.78 1x02 s TYR 99 Ca 0.00 0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 56.24 1x02 s TYR 99 Cb 0.00 -2.05 0.14 0.00 -0.11 0.00 0.00 41.96 39.94 1x02 s TYR 99 CO 0.00 0.43 0.60 0.42 -1.11 0.00 0.00 175.55 175.89 1x02 s ILE 100 N -0.18 5.20 1.14 2.71 1.01 -0.77 -4.87 121.20 125.44 1x02 s ILE 100 Ca 0.10 -1.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.02 1x02 s ILE 100 Cb -0.12 -4.40 0.23 0.00 0.01 0.00 0.00 42.46 38.18 1x02 s ILE 100 CO 0.01 -0.96 0.77 -1.54 0.00 0.00 0.00 174.94 173.21 1x02 n SER 101 N 5.24 -1.75 -0.31 3.58 3.41 -1.26 -0.27 113.62 122.26 1x02 n SER 101 Ca -0.07 -0.09 -0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1x02 n SER 101 Cb 0.42 -1.20 0.13 0.00 -0.26 0.00 0.00 64.21 63.29 1x02 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x02 h ALA 102 N -2.45 1.16 0.33 7.33 0.00 -1.95 -2.41 119.26 121.27 1x02 h ALA 102 Ca -0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1x02 h ALA 102 Cb 1.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x02 h ALA 102 CO 0.45 0.31 -0.16 0.00 0.00 0.00 0.00 179.25 179.85 1x02 h ALA 103 N 1.39 -0.44 -0.27 0.00 0.00 -1.91 0.28 119.26 118.31 1x02 h ALA 103 Ca 0.36 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1x02 h ALA 103 Cb 0.12 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1x02 h ALA 103 CO -0.16 -0.67 -0.54 0.93 0.00 0.00 0.00 179.25 178.82 1x02 h GLU 104 N -0.59 -0.47 -0.31 0.00 5.08 -1.83 -0.89 114.58 115.57 1x02 h GLU 104 Ca -0.05 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1x02 h GLU 104 Cb 0.43 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1x02 h GLU 104 CO 0.07 -0.31 0.15 1.25 -1.00 0.00 0.00 179.01 179.17 1x02 h LEU 105 N -0.49 0.41 -0.75 1.33 6.46 -1.46 -3.02 115.31 117.79 1x02 h LEU 105 Ca 0.06 -0.12 0.14 0.00 -0.12 0.00 0.00 57.88 57.83 1x02 h LEU 105 Cb 0.64 -0.10 -0.14 0.00 -0.73 0.00 0.00 40.66 40.33 1x02 h LEU 105 CO -0.51 0.42 -0.29 -0.09 -0.62 0.00 0.00 178.44 177.34 1x02 h ARG 106 N 0.37 -0.06 -0.13 1.25 2.43 0.31 -0.23 114.38 118.32 1x02 h ARG 106 Ca 0.11 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1x02 h ARG 106 Cb 0.12 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 1x02 h ARG 106 CO -0.01 -0.04 -0.36 1.25 -1.51 0.00 0.00 179.97 179.29 1x02 h HIS 107 N -0.07 -1.02 -0.77 2.20 2.76 -1.06 -1.22 115.15 115.99 1x02 h HIS 107 Ca 0.31 0.04 0.15 0.00 -2.20 0.00 0.00 60.37 58.68 1x02 h HIS 107 Cb 0.57 0.47 -0.10 0.00 1.55 0.00 0.00 27.41 29.90 1x02 h HIS 107 CO -0.68 -0.43 0.31 0.28 -1.30 0.00 0.00 177.93 176.10 1x02 h VAL 108 N -0.44 0.64 0.52 5.26 2.07 -1.08 -2.57 116.25 120.65 1x02 h VAL 108 Ca 0.09 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1x02 h VAL 108 Cb 0.58 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1x02 h VAL 108 CO -0.37 0.08 -0.36 0.24 0.02 0.00 0.00 177.57 177.18 1x02 h MET 109 N 0.44 -0.80 -0.83 1.57 2.07 -0.10 -3.01 114.93 114.27 1x02 h MET 109 Ca 0.43 0.05 0.12 0.00 -2.07 0.00 0.00 59.70 58.23 1x02 h MET 109 Cb 0.66 0.18 -0.13 0.00 -1.87 0.00 0.00 31.60 30.44 1x02 h MET 109 CO -0.41 -0.53 -0.34 2.41 1.07 0.00 0.00 176.91 179.10 1x02 n THR 110 N -4.62 -0.45 -0.35 2.22 -1.04 -0.60 0.69 114.28 110.12 1x02 n THR 110 Ca -0.10 1.96 0.07 0.00 -2.04 0.00 0.00 64.05 63.94 1x02 n THR 110 Cb 0.36 -2.57 0.16 0.00 -1.82 0.00 0.00 70.33 66.46 1x02 n THR 110 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1x02 h ASN 111 N 0.00 -0.84 -0.74 8.00 2.35 -1.36 0.42 115.58 123.41 1x02 h ASN 111 Ca 0.27 0.29 0.30 0.00 -0.55 0.00 0.00 56.30 56.62 1x02 h ASN 111 Cb 0.48 0.59 -0.13 0.00 0.05 0.00 0.00 38.32 39.31 1x02 h ASN 111 CO -0.82 -0.33 0.38 0.18 -1.65 0.00 0.00 177.43 175.18 1x02 n LEU 112 N -5.60 0.24 0.00 1.61 4.77 0.22 -4.64 117.00 113.59 1x02 n LEU 112 Ca 0.17 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.37 1x02 n LEU 112 Cb 0.54 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1x02 n LEU 112 CO -0.11 -1.36 0.00 0.61 -1.33 0.00 0.00 177.39 175.20 1x02 n GLY 113 N -1.20 1.27 3.09 -0.72 0.00 0.15 -5.15 105.19 102.62 1x02 n GLY 113 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 1x02 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x02 s GLU 114 N 0.00 0.95 -0.48 1.61 0.41 -1.07 -5.11 118.70 115.01 1x02 s GLU 114 Ca 0.00 -0.51 -0.26 0.00 -0.41 0.00 0.00 54.97 53.79 1x02 s GLU 114 Cb 0.00 -0.92 0.03 0.00 -1.78 0.00 0.00 34.13 31.46 1x02 s GLU 114 CO 0.00 0.25 0.96 0.15 -0.49 0.00 0.00 175.26 176.13 1x02 s LYS 115 N -0.50 3.52 0.16 1.61 1.02 -1.26 -4.15 119.74 120.13 1x02 s LYS 115 Ca 0.04 0.15 0.11 0.00 0.02 0.00 0.00 55.97 56.28 1x02 s LYS 115 Cb -0.05 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 1x02 s LYS 115 CO -0.00 -1.30 -0.25 -0.51 -0.92 0.00 0.00 175.35 172.37 1x02 s LEU 116 N 3.91 2.38 0.22 3.17 1.43 -1.26 -5.07 118.68 123.47 1x02 s LEU 116 Ca 0.38 -0.81 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1x02 s LEU 116 Cb -0.10 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 1x02 s LEU 116 CO 0.26 0.13 -0.01 0.42 0.23 0.00 0.00 176.35 177.37 1x02 s THR 117 N -1.42 1.06 0.29 5.49 -4.23 -1.26 -4.97 115.64 110.61 1x02 s THR 117 Ca 0.17 -2.04 0.19 0.00 -1.18 0.00 0.00 61.69 58.83 1x02 s THR 117 Cb -0.09 -2.30 0.30 0.00 1.34 0.00 0.00 72.50 71.76 1x02 s THR 117 CO 0.08 -0.37 1.14 -0.67 -0.54 0.00 0.00 174.62 174.26 1x02 n ASP 118 N -0.40 0.21 0.20 3.99 -0.08 -1.26 0.12 116.55 119.32 1x02 n ASP 118 Ca -0.06 1.11 -0.14 0.00 -1.51 0.00 0.00 54.79 54.20 1x02 n ASP 118 Cb 0.64 -0.54 -0.08 0.00 2.34 0.00 0.00 41.12 43.47 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1x02 h GLU 119 N 0.00 -0.50 -0.29 -0.67 4.39 -1.99 0.43 114.58 115.94 1x02 h GLU 119 Ca 0.62 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.42 1x02 h GLU 119 Cb 1.82 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 30.52 1x02 h GLU 119 CO -0.46 -0.20 -0.10 0.93 -1.16 0.00 0.00 179.01 178.02 1x02 h GLU 120 N -0.83 -0.05 -0.71 2.33 4.39 0.51 -1.88 114.58 118.35 1x02 h GLU 120 Ca -0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1x02 h GLU 120 Cb 0.54 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1x02 h GLU 120 CO 0.09 -0.03 0.36 0.28 -1.16 0.00 0.00 179.01 178.55 1x02 h VAL 121 N -0.05 1.23 -0.80 3.13 2.07 -1.26 -2.76 116.25 117.81 1x02 h VAL 121 Ca 0.15 -0.61 0.19 0.00 0.82 0.00 0.00 66.70 67.25 1x02 h VAL 121 Cb 0.27 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 1x02 h VAL 121 CO -0.33 0.26 0.21 0.44 0.02 0.00 0.00 177.57 178.17 1x02 h ASP 122 N 0.98 0.03 0.16 0.57 5.19 -0.08 0.82 116.42 124.09 1x02 h ASP 122 Ca 0.25 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1x02 h ASP 122 Cb 0.08 0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1x02 h ASP 122 CO -0.04 -0.07 -0.07 -0.33 -3.12 0.00 0.00 179.24 175.62 1x02 h GLU 123 N 0.26 0.00 0.00 3.56 4.39 -1.17 -2.36 114.58 119.26 1x02 h GLU 123 Ca 0.47 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.12 1x02 h GLU 123 Cb 0.85 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1x02 h GLU 123 CO -0.56 0.07 -0.25 1.98 -1.16 0.00 0.00 179.01 179.09 1x02 h MET 124 N 0.00 0.00 -0.69 2.33 4.05 0.53 -3.33 114.93 117.82 1x02 h MET 124 Ca -0.00 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.60 1x02 h MET 124 Cb 0.17 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1x02 h MET 124 CO 0.01 0.99 0.49 0.82 0.23 0.00 0.00 176.91 179.45 1x02 h ILE 125 N -1.00 0.69 -0.03 1.77 1.08 -0.66 0.52 117.51 119.88 1x02 h ILE 125 Ca -0.07 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1x02 h ILE 125 Cb 1.05 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1x02 h ILE 125 CO -0.04 0.02 0.00 -2.11 -0.69 0.00 0.00 178.15 175.33 1x02 n ARG 126 N -4.38 1.14 -0.02 2.37 1.85 -0.91 -0.79 116.66 115.92 1x02 n ARG 126 Ca 0.14 -0.14 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 1x02 n ARG 126 Cb 0.69 -1.29 -0.02 0.00 -1.05 0.00 0.00 32.46 30.79 1x02 n ARG 126 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1x02 n GLU 127 N -0.18 0.82 -0.09 2.89 2.13 0.18 -4.81 120.64 121.58 1x02 n GLU 127 Ca 0.01 0.02 -0.10 0.00 0.66 0.00 0.00 57.16 57.75 1x02 n GLU 127 Cb 0.16 -1.09 -0.11 0.00 0.27 0.00 0.00 31.44 30.67 1x02 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x02 n ALA 128 N -2.52 1.60 -1.66 4.31 0.00 -1.16 -4.93 120.51 116.15 1x02 n ALA 128 Ca -0.07 -0.97 -0.43 0.00 0.00 0.00 0.00 53.44 51.97 1x02 n ALA 128 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 1x02 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x02 s ASP 129 N -5.28 5.61 -0.15 0.00 -1.08 0.03 -4.70 116.67 111.09 1x02 s ASP 129 Ca -0.15 1.91 -0.20 0.00 -0.52 0.00 0.00 52.55 53.60 1x02 s ASP 129 Cb 0.05 -2.51 -0.17 0.00 -1.46 0.00 0.00 42.92 38.83 1x02 s ASP 129 CO 0.58 -1.84 0.38 0.40 0.52 0.00 0.00 175.17 175.21 1x02 h ILE 130 N 6.95 1.04 -0.77 4.11 1.08 -1.86 -3.36 117.51 124.69 1x02 h ILE 130 Ca -0.41 -1.92 0.06 0.00 -0.39 0.00 0.00 64.86 62.21 1x02 h ILE 130 Cb 1.23 2.10 -0.06 0.00 -3.07 0.00 0.00 36.82 37.02 1x02 h ILE 130 CO 0.97 0.35 0.46 0.44 -0.69 0.00 0.00 178.15 179.68 1x02 h ASP 131 N -1.00 0.71 -1.19 1.72 3.32 -1.92 -3.47 116.42 114.59 1x02 h ASP 131 Ca -0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1x02 h ASP 131 Cb 0.85 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1x02 h ASP 131 CO -0.06 0.45 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 1x02 n GLY 132 N -1.31 0.55 0.29 2.75 0.00 -1.26 -5.00 105.19 101.21 1x02 n GLY 132 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.82 1x02 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x02 n ASP 133 N -0.36 1.86 0.00 1.61 5.75 -1.26 -4.98 116.55 119.18 1x02 n ASP 133 Ca 0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1x02 n ASP 133 Cb 0.33 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1x02 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 134 N 0.25 0.79 3.08 6.12 0.00 -1.26 -5.07 105.19 109.10 1x02 n GLY 134 Ca 0.05 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 1x02 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x02 s GLN 135 N -2.90 0.55 -0.44 1.61 -0.21 -1.26 -3.21 119.66 113.79 1x02 s GLN 135 Ca 0.00 -0.90 0.03 0.00 0.02 0.00 0.00 55.36 54.51 1x02 s GLN 135 Cb 0.00 0.20 0.12 0.00 1.00 0.00 0.00 33.01 34.33 1x02 s GLN 135 CO 0.00 -0.12 0.19 0.08 -2.12 0.00 0.00 175.29 173.32 1x02 s VAL 136 N -2.90 2.21 1.13 1.09 1.01 0.62 -4.55 120.40 119.02 1x02 s VAL 136 Ca -0.03 -2.80 -0.19 0.00 0.00 0.00 0.00 61.98 58.96 1x02 s VAL 136 Cb 0.01 -2.57 0.27 0.00 0.00 0.00 0.00 36.38 34.08 1x02 s VAL 136 CO -0.06 -0.75 1.22 0.54 0.00 0.00 0.00 175.10 176.05 1x02 s ASN 137 N 0.27 1.62 0.09 3.32 4.22 -1.26 -1.85 114.94 121.35 1x02 s ASN 137 Ca 0.15 0.37 -0.34 0.00 -2.14 0.00 0.00 52.86 50.90 1x02 s ASN 137 Cb -0.23 -0.44 -0.15 0.00 1.28 0.00 0.00 41.25 41.70 1x02 s ASN 137 CO -0.04 -3.67 1.53 0.22 -2.04 0.00 0.00 177.10 173.10 1x02 h TYR 138 N -2.28 -1.41 -0.77 1.54 3.20 -1.94 0.39 116.97 115.71 1x02 h TYR 138 Ca -0.43 0.02 0.18 0.00 3.14 0.00 0.00 58.73 61.63 1x02 h TYR 138 Cb 1.25 0.57 -0.12 0.00 1.54 0.00 0.00 36.73 39.98 1x02 h TYR 138 CO -2.07 -0.62 0.19 1.49 -1.64 0.00 0.00 178.16 175.51 1x02 h GLU 139 N -0.86 0.25 0.00 1.82 4.81 -1.93 0.80 114.58 119.47 1x02 h GLU 139 Ca -0.04 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1x02 h GLU 139 Cb 0.79 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1x02 h GLU 139 CO -0.16 0.17 -0.15 0.93 -0.73 0.00 0.00 179.01 179.07 1x02 h GLU 140 N 0.26 0.00 0.18 1.92 5.08 -1.69 -2.86 114.58 117.47 1x02 h GLU 140 Ca 0.45 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.49 1x02 h GLU 140 Cb 0.79 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1x02 h GLU 140 CO -0.54 0.15 -1.50 0.35 -1.00 0.00 0.00 179.01 176.47 1x02 h PHE 141 N 0.00 0.70 -0.00 4.33 3.57 0.48 -3.21 116.94 122.80 1x02 h PHE 141 Ca -0.00 -0.51 -0.00 0.00 3.53 0.00 0.00 57.97 60.99 1x02 h PHE 141 Cb 0.63 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1x02 h PHE 141 CO 0.00 1.48 0.00 0.28 -2.23 0.00 0.00 178.31 177.84 1x02 h VAL 142 N 0.11 1.10 0.15 1.41 2.07 -0.12 -2.76 116.25 118.20 1x02 h VAL 142 Ca -0.24 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1x02 h VAL 142 Cb 2.08 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 1x02 h VAL 142 CO 0.21 0.07 -0.29 1.56 0.02 0.00 0.00 177.57 179.15 1x02 h GLN 143 N -0.11 -0.51 -0.89 1.57 1.08 -1.65 -1.51 115.11 113.09 1x02 h GLN 143 Ca 0.00 0.03 0.24 0.00 -1.45 0.00 0.00 58.65 57.47 1x02 h GLN 143 Cb 0.12 0.12 -0.14 0.00 -0.05 0.00 0.00 27.48 27.53 1x02 h GLN 143 CO -0.00 -0.34 0.30 1.98 -0.95 0.00 0.00 178.83 179.82 1x02 h MET 144 N -0.53 0.26 -0.12 1.46 1.85 -1.55 0.33 114.93 116.64 1x02 h MET 144 Ca 0.02 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1x02 h MET 144 Cb 0.54 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 1x02 h MET 144 CO -0.15 0.17 0.04 0.52 -0.40 0.00 0.00 176.91 177.09 1x02 h MET 145 N 0.27 0.18 -2.28 0.39 2.86 -1.08 -3.31 114.93 111.96 1x02 h MET 145 Ca 0.57 -0.04 -0.62 0.00 -2.06 0.00 0.00 59.70 57.55 1x02 h MET 145 Cb 1.14 -0.03 -0.40 0.00 0.06 0.00 0.00 31.60 32.37 1x02 h MET 145 CO -0.61 0.31 -0.43 -2.37 1.06 0.00 0.00 176.91 174.86 1x02 n THR 146 N -4.89 3.07 -2.45 2.22 5.66 0.21 -5.01 114.28 113.09 1x02 n THR 146 Ca -0.05 -5.46 -0.38 0.00 -3.05 0.00 0.00 64.05 55.10 1x02 n THR 146 Cb 0.13 -1.79 -0.03 0.00 -1.55 0.00 0.00 70.33 67.09 1x02 n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x02 s ALA 147 N -3.01 2.49 -1.15 1.79 0.00 0.93 -4.77 121.76 118.04 1x02 s ALA 147 Ca 0.43 -2.05 0.09 0.00 0.00 0.00 0.00 51.96 50.43 1x02 s ALA 147 Cb 0.20 -4.52 0.07 0.00 0.00 0.00 0.00 23.12 18.87 1x02 s ALA 147 CO -0.06 -3.85 0.79 1.63 0.00 0.00 0.00 175.76 174.27