#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9i s GLU 2 N 0.00 1.25 0.64 2.12 1.03 -1.25 0.31 118.70 122.80 1j9i s GLU 2 Ca 0.00 -2.05 -0.03 0.00 0.03 0.00 0.00 54.97 52.92 1j9i s GLU 2 Cb 0.00 -2.18 0.06 0.00 -0.80 0.00 0.00 34.13 31.21 1j9i s GLU 2 CO 0.00 -1.21 0.91 0.14 -1.33 0.00 0.00 175.26 173.78 1j9i s VAL 3 N 0.25 2.42 0.76 1.83 -7.23 0.17 -4.54 120.40 114.07 1j9i s VAL 3 Ca 0.20 -0.48 -0.04 0.00 -1.81 0.00 0.00 61.98 59.85 1j9i s VAL 3 Cb -0.19 -2.94 0.16 0.00 0.56 0.00 0.00 36.38 33.97 1j9i s VAL 3 CO -0.04 0.00 1.05 0.59 -0.31 0.00 0.00 175.10 176.39 1j9i n ASN 4 N -2.67 1.02 -0.32 4.85 3.02 -1.26 0.27 115.26 120.16 1j9i n ASN 4 Ca 0.09 -1.95 0.14 0.00 -0.03 0.00 0.00 54.58 52.83 1j9i n ASN 4 Cb 0.60 -0.71 0.36 0.00 -0.61 0.00 0.00 39.78 39.42 1j9i n ASN 4 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1j9i h LYS 5 N 0.00 0.68 0.08 3.52 1.63 -1.92 0.51 116.57 121.07 1j9i h LYS 5 Ca -0.34 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1j9i h LYS 5 Cb 1.18 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1j9i h LYS 5 CO 0.33 0.45 -0.04 -0.22 -3.45 0.00 0.00 179.45 176.53 1j9i h LYS 6 N 0.70 -0.10 -0.94 1.90 3.64 -1.96 -2.49 116.57 117.32 1j9i h LYS 6 Ca 0.54 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 60.18 1j9i h LYS 6 Cb 0.91 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.62 1j9i h LYS 6 CO -0.30 -0.07 0.43 1.96 -2.27 0.00 0.00 179.45 179.20 1j9i h GLN 7 N -0.76 0.33 0.67 1.90 1.08 -1.88 1.78 115.11 118.23 1j9i h GLN 7 Ca -0.01 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1j9i h GLN 7 Cb 0.08 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1j9i h GLN 7 CO 0.02 0.22 -0.40 1.25 -0.95 0.00 0.00 178.83 178.97 1j9i h LEU 8 N 0.34 -0.99 -1.52 1.46 6.46 -0.06 2.21 115.31 123.22 1j9i h LEU 8 Ca 0.62 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 58.41 1j9i h LEU 8 Cb 1.29 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.49 1j9i h LEU 8 CO -0.58 -0.62 0.00 0.00 -0.62 0.00 0.00 178.44 176.61 1j9i h ALA 9 N -0.74 1.61 -0.17 1.25 0.00 -0.41 0.85 119.26 121.65 1j9i h ALA 9 Ca -0.08 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1j9i h ALA 9 Cb 0.80 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1j9i h ALA 9 CO 0.10 0.29 -0.61 -0.44 0.00 0.00 0.00 179.25 178.59 1j9i h ASP 10 N 0.30 0.67 0.42 0.00 3.32 0.35 0.48 116.42 121.96 1j9i h ASP 10 Ca 0.07 -0.38 -0.17 0.00 0.02 0.00 0.00 57.03 56.57 1j9i h ASP 10 Cb 0.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1j9i h ASP 10 CO 0.00 1.12 -0.71 -0.29 -1.72 0.00 0.00 179.24 177.64 1j9i h ILE 11 N 0.44 1.42 -0.01 0.35 2.10 0.45 -2.75 117.51 119.51 1j9i h ILE 11 Ca -0.01 -2.21 0.00 0.00 1.08 0.00 0.00 64.86 63.72 1j9i h ILE 11 Cb 1.18 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 39.07 1j9i h ILE 11 CO 0.12 0.65 -0.09 0.49 -1.08 0.00 0.00 178.15 178.24 1j9i n PHE 12 N -3.80 0.00 -0.97 2.19 3.01 0.21 -4.89 117.46 113.21 1j9i n PHE 12 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1j9i n PHE 12 Cb 0.69 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 1j9i n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j9i n GLY 13 N 1.25 0.17 0.00 1.37 0.00 0.13 -4.92 105.19 103.18 1j9i n GLY 13 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1j9i n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9i n ALA 14 N 1.00 0.00 -2.85 4.61 0.00 0.12 -4.94 120.51 118.45 1j9i n ALA 14 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1j9i n ALA 14 Cb 0.31 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.61 1j9i n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1j9i s SER 15 N -1.00 3.62 0.28 0.00 0.01 -1.26 -4.58 113.70 110.78 1j9i s SER 15 Ca 0.00 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.89 1j9i s SER 15 Cb 0.00 -1.17 0.67 0.00 0.21 0.00 0.00 66.02 65.72 1j9i s SER 15 CO 0.00 0.23 1.66 0.40 0.41 0.00 0.00 173.24 175.94 1j9i h ILE 16 N 5.09 0.37 -0.93 1.44 1.08 -1.89 1.59 117.51 124.26 1j9i h ILE 16 Ca -0.32 -0.09 0.25 0.00 -0.39 0.00 0.00 64.86 64.32 1j9i h ILE 16 Cb 1.19 0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 1j9i h ILE 16 CO 0.51 0.05 0.65 0.08 -0.69 0.00 0.00 178.15 178.74 1j9i h ARG 17 N 0.25 0.11 -0.14 2.37 -0.00 -1.94 2.27 114.38 117.30 1j9i h ARG 17 Ca 0.53 -0.01 -0.18 0.00 -0.00 0.00 0.00 59.98 60.33 1j9i h ARG 17 Cb 1.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.97 30.97 1j9i h ARG 17 CO -0.61 0.08 -0.64 1.15 -0.00 0.00 0.00 179.97 179.94 1j9i h THR 18 N 0.12 1.34 -0.21 0.08 2.02 0.19 -1.55 112.91 114.89 1j9i h THR 18 Ca 0.46 -1.94 -0.09 0.00 0.77 0.00 0.00 66.41 65.61 1j9i h THR 18 Cb 1.62 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.94 1j9i h THR 18 CO -0.07 0.60 -0.25 0.40 0.37 0.00 0.00 175.52 176.57 1j9i h ILE 19 N 0.38 1.26 0.00 3.11 1.08 0.41 0.56 117.51 124.30 1j9i h ILE 19 Ca -0.01 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.23 1j9i h ILE 19 Cb 1.20 1.37 -0.00 0.00 -3.07 0.00 0.00 36.82 36.32 1j9i h ILE 19 CO 0.12 0.38 -0.08 1.56 -0.69 0.00 0.00 178.15 179.44 1j9i h GLN 20 N 0.35 0.00 0.00 2.37 4.20 0.11 -0.90 115.11 121.24 1j9i h GLN 20 Ca 0.05 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 1j9i h GLN 20 Cb 0.63 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1j9i h GLN 20 CO 0.05 0.08 -1.63 0.09 -0.67 0.00 0.00 178.83 176.75 1j9i n ASN 21 N -3.25 0.63 0.03 1.46 5.03 -0.03 -3.94 115.26 115.19 1j9i n ASN 21 Ca -0.00 0.28 -0.11 0.00 0.87 0.00 0.00 54.58 55.61 1j9i n ASN 21 Cb 0.30 0.50 -0.09 0.00 -1.02 0.00 0.00 39.78 39.48 1j9i n ASN 21 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 1j9i h TRP 22 N 0.00 -0.15 0.00 3.10 4.06 0.71 -1.81 115.95 121.86 1j9i h TRP 22 Ca -0.20 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.74 1j9i h TRP 22 Cb 1.61 0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.82 1j9i h TRP 22 CO 0.00 0.34 0.37 -0.56 -3.56 0.00 0.00 178.44 175.03 1j9i h GLN 23 N -0.80 0.00 -0.04 0.49 3.07 -1.37 1.05 115.11 117.52 1j9i h GLN 23 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1j9i h GLN 23 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1j9i h GLN 23 CO 0.03 0.00 0.00 -0.85 0.09 0.00 0.00 178.83 178.10 1j9i n GLU 24 N -2.85 1.87 -0.31 0.06 0.28 -1.09 -4.32 120.64 114.28 1j9i n GLU 24 Ca -0.02 -1.74 0.07 0.00 -0.16 0.00 0.00 57.16 55.31 1j9i n GLU 24 Cb 0.42 -1.40 0.20 0.00 1.43 0.00 0.00 31.44 32.09 1j9i n GLU 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1j9i n GLN 25 N 1.16 2.92 -0.05 3.44 10.64 0.36 -4.93 117.38 130.92 1j9i n GLN 25 Ca 0.12 -2.42 0.00 0.00 -1.83 0.00 0.00 57.00 52.87 1j9i n GLN 25 Cb 0.52 -1.54 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 1j9i n GLN 25 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1j9i n GLY 26 N 0.06 1.78 3.77 2.61 0.00 -1.15 -5.05 105.19 107.21 1j9i n GLY 26 Ca 0.16 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1j9i n GLY 26 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1j9i s MET 27 N -0.90 4.65 -1.14 1.61 1.75 -1.09 -4.95 119.30 119.24 1j9i s MET 27 Ca 0.00 1.28 -0.21 0.00 -1.25 0.00 0.00 55.69 55.51 1j9i s MET 27 Cb 0.00 -3.17 0.01 0.00 2.84 0.00 0.00 34.83 34.51 1j9i s MET 27 CO 0.00 0.49 1.75 -1.25 -0.65 0.00 0.00 175.02 175.36 1j9i s PRO 28 N -1.37 3.32 0.19 4.11 0.04 -1.26 -4.84 135.00 135.19 1j9i s PRO 28 Ca 0.40 -1.33 -0.22 0.00 0.04 0.00 0.00 61.00 59.89 1j9i s PRO 28 Cb -0.23 -5.35 -0.08 0.00 0.04 0.00 0.00 34.50 28.88 1j9i s PRO 28 CO 0.28 -2.83 0.75 0.54 0.04 0.00 0.00 177.00 175.77 1j9i s VAL 29 N 6.93 4.47 0.00 -0.36 0.11 -1.26 -3.49 120.40 126.80 1j9i s VAL 29 Ca 0.58 1.50 0.00 0.00 -2.93 0.00 0.00 61.98 61.13 1j9i s VAL 29 Cb 0.00 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1j9i s VAL 29 CO 0.04 0.37 0.65 0.18 -3.33 0.00 0.00 175.10 173.00 1j9i n LEU 30 N 1.17 0.00 -4.94 2.54 7.99 -0.39 -4.75 117.00 118.63 1j9i n LEU 30 Ca -0.04 0.65 -0.25 0.00 -0.01 0.00 0.00 56.01 56.36 1j9i n LEU 30 Cb 0.50 -0.15 0.07 0.00 -0.11 0.00 0.00 43.42 43.73 1j9i n LEU 30 CO 0.44 -0.15 0.58 -0.13 -1.51 0.00 0.00 177.39 176.63 1j9i s ARG 31 N -1.60 2.23 0.12 3.23 3.00 -1.26 -4.85 118.95 119.82 1j9i s ARG 31 Ca 0.00 -0.34 0.26 0.00 0.00 0.00 0.00 55.73 55.66 1j9i s ARG 31 Cb 0.00 -2.21 0.80 0.00 0.00 0.00 0.00 34.95 33.54 1j9i s ARG 31 CO 0.00 -1.18 1.70 0.41 0.00 0.00 0.00 175.30 176.23 1j9i n GLY 32 N -2.85 -1.56 4.23 -3.53 0.00 -1.26 -4.24 105.19 95.98 1j9i n GLY 32 Ca 0.08 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1j9i n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9i n GLY 33 N 1.38 -0.32 3.58 -0.02 0.00 -1.26 -4.71 105.19 103.84 1j9i n GLY 33 Ca 0.05 0.08 -0.51 0.00 0.00 0.00 0.00 46.02 45.64 1j9i n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9i n GLY 34 N -1.25 0.30 2.88 -0.02 0.00 -1.26 0.25 105.19 106.09 1j9i n GLY 34 Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1j9i n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j9i n LYS 35 N 2.24 -0.53 -0.74 1.61 3.00 -1.26 -1.92 118.16 120.56 1j9i n LYS 35 Ca 0.17 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1j9i n LYS 35 Cb 0.20 -3.70 0.00 0.00 0.00 0.00 0.00 35.03 31.53 1j9i n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j9i n GLY 36 N -1.52 0.59 0.00 3.14 0.00 0.69 -4.98 105.19 103.10 1j9i n GLY 36 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1j9i n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j9i n ASN 37 N 0.76 0.00 -1.40 1.61 4.13 -0.81 -4.46 115.26 115.09 1j9i n ASN 37 Ca 0.00 0.72 -0.02 0.00 1.68 0.00 0.00 54.58 56.96 1j9i n ASN 37 Cb 0.00 -0.22 -0.01 0.00 -1.54 0.00 0.00 39.78 38.01 1j9i n ASN 37 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1j9i n GLU 38 N -1.79 0.16 -1.34 3.52 0.28 -1.26 -5.01 120.64 115.19 1j9i n GLU 38 Ca 0.00 -1.57 -0.55 0.00 -0.16 0.00 0.00 57.16 54.88 1j9i n GLU 38 Cb 0.00 0.18 -0.10 0.00 1.43 0.00 0.00 31.44 32.94 1j9i n GLU 38 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1j9i n VAL 39 N 0.10 0.07 -1.95 3.84 0.31 -1.26 -4.67 118.33 114.78 1j9i n VAL 39 Ca -0.11 -0.11 -0.03 0.00 -0.01 0.00 0.00 64.34 64.08 1j9i n VAL 39 Cb 0.91 -0.96 0.02 0.00 -0.91 0.00 0.00 33.84 32.89 1j9i n VAL 39 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1j9i n LEU 40 N 8.70 0.00 -3.60 7.52 7.99 -1.26 -4.51 117.00 131.84 1j9i n LEU 40 Ca 0.50 -0.22 -0.16 0.00 -0.01 0.00 0.00 56.01 56.13 1j9i n LEU 40 Cb 0.07 -0.09 -0.13 0.00 -0.11 0.00 0.00 43.42 43.16 1j9i n LEU 40 CO 0.84 -0.57 -0.18 -0.31 -1.51 0.00 0.00 177.39 175.66 1j9i s TYR 41 N -0.48 -0.33 -0.88 -1.77 2.02 0.14 -1.26 117.35 114.78 1j9i s TYR 41 Ca 0.08 0.66 -0.26 0.00 -0.37 0.00 0.00 57.07 57.17 1j9i s TYR 41 Cb -0.00 -0.19 -0.16 0.00 -0.40 0.00 0.00 41.96 41.21 1j9i s TYR 41 CO 0.05 -0.42 2.30 0.34 -1.57 0.00 0.00 175.55 176.25 1j9i s ASP 42 N 2.37 3.84 0.34 2.29 2.15 -1.23 -0.66 116.67 125.77 1j9i s ASP 42 Ca 0.04 -0.29 0.29 0.00 0.43 0.00 0.00 52.55 53.02 1j9i s ASP 42 Cb -0.13 -2.56 1.09 0.00 -0.30 0.00 0.00 42.92 41.01 1j9i s ASP 42 CO -0.09 -4.06 1.02 -0.24 -0.17 0.00 0.00 175.17 171.63 1j9i n SER 43 N 18.68 0.04 -0.10 -0.34 2.88 0.91 0.24 113.62 135.93 1j9i n SER 43 Ca 0.45 0.73 -0.20 0.00 -1.33 0.00 0.00 58.87 58.52 1j9i n SER 43 Cb 0.44 -0.36 -0.11 0.00 -0.75 0.00 0.00 64.21 63.43 1j9i n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j9i h ALA 44 N 0.77 0.23 0.00 -1.46 0.00 -1.84 -3.15 119.26 113.81 1j9i h ALA 44 Ca 0.60 -1.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1j9i h ALA 44 Cb 2.29 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 20.74 1j9i h ALA 44 CO -0.10 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.72 1j9i h ALA 45 N -0.49 1.31 0.00 0.00 0.00 -0.37 0.37 119.26 120.09 1j9i h ALA 45 Ca -0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1j9i h ALA 45 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1j9i h ALA 45 CO -0.18 0.08 -0.21 0.28 0.00 0.00 0.00 179.25 179.22 1j9i h VAL 46 N 0.00 0.48 0.00 0.00 2.07 0.30 -3.15 116.25 115.95 1j9i h VAL 46 Ca -0.00 -1.15 -0.19 0.00 0.82 0.00 0.00 66.70 66.18 1j9i h VAL 46 Cb 0.20 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1j9i h VAL 46 CO 0.01 0.21 -1.37 2.30 0.02 0.00 0.00 177.57 178.73 1j9i n ILE 47 N -3.32 1.50 -0.51 4.57 -5.35 0.07 -2.04 119.36 114.27 1j9i n ILE 47 Ca 0.01 -0.03 0.44 0.00 -0.27 0.00 0.00 62.75 62.90 1j9i n ILE 47 Cb 0.45 -2.15 0.79 0.00 -1.74 0.00 0.00 39.64 36.99 1j9i n ILE 47 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1j9i h LYS 48 N -1.00 0.00 0.00 6.28 3.64 -1.56 3.15 116.57 127.09 1j9i h LYS 48 Ca -0.28 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.84 1j9i h LYS 48 Cb 1.13 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1j9i h LYS 48 CO -0.17 0.00 -1.51 2.35 -2.27 0.00 0.00 179.45 177.85 1j9i h TRP 49 N 0.00 0.00 0.00 1.91 7.01 -1.69 -3.20 115.95 119.98 1j9i h TRP 49 Ca 0.75 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 61.64 1j9i h TRP 49 Cb 3.03 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 30.07 1j9i h TRP 49 CO 0.00 0.93 -1.13 -0.92 -2.79 0.00 0.00 178.44 174.52 1j9i h TYR 50 N 0.00 0.00 0.00 2.65 5.03 0.46 -3.33 116.97 121.79 1j9i h TYR 50 Ca -0.21 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 60.97 1j9i h TYR 50 Cb 1.89 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 40.16 1j9i h TYR 50 CO 0.00 0.41 -0.59 0.00 -1.32 0.00 0.00 178.16 176.67 1j9i h ALA 51 N 1.59 0.64 -0.36 1.82 0.00 0.44 1.27 119.26 124.66 1j9i h ALA 51 Ca -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1j9i h ALA 51 Cb 1.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1j9i h ALA 51 CO 0.04 0.73 0.00 0.39 0.00 0.00 0.00 179.25 180.41 1j9i n GLU 52 N -3.28 3.01 0.00 0.00 -0.58 -1.21 -4.36 120.64 114.22 1j9i n GLU 52 Ca 0.01 -1.78 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 1j9i n GLU 52 Cb 0.75 -1.82 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1j9i n GLU 52 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1j9i n ARG 53 N 0.45 0.00 -0.44 3.49 1.85 -1.19 -4.95 116.66 115.87 1j9i n ARG 53 Ca 0.16 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.08 1j9i n ARG 53 Cb 0.71 0.00 0.27 0.00 -1.05 0.00 0.00 32.46 32.39 1j9i n ARG 53 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1j9i n ASP 54 N -0.17 3.63 0.02 2.89 8.00 0.42 -4.18 116.55 127.16 1j9i n ASP 54 Ca 0.00 -2.29 0.05 0.00 0.71 0.00 0.00 54.79 53.26 1j9i n ASP 54 Cb 0.00 -0.48 0.22 0.00 -0.02 0.00 0.00 41.12 40.84 1j9i n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j9i n ALA 55 N 0.86 1.35 0.01 2.24 0.00 -0.37 -1.63 120.51 122.97 1j9i n ALA 55 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1j9i n ALA 55 Cb 0.67 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 1j9i n ALA 55 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1j9i h GLU 56 N 0.00 0.09 -0.20 0.00 5.08 -1.87 -3.38 114.58 114.31 1j9i h GLU 56 Ca 0.00 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1j9i h GLU 56 Cb 0.14 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1j9i h GLU 56 CO 0.00 0.80 -0.15 0.82 -1.00 0.00 0.00 179.01 179.49 1j9i h ILE 57 N 0.03 0.00 0.00 3.13 5.03 -1.61 1.11 117.51 125.20 1j9i h ILE 57 Ca -0.26 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 1j9i h ILE 57 Cb 1.99 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.78 1j9i h ILE 57 CO 0.11 0.00 0.36 -0.33 -0.68 0.00 0.00 178.15 177.61 1j9i h GLU 58 N -0.04 0.00 -0.29 2.37 5.08 -1.76 0.34 114.58 120.28 1j9i h GLU 58 Ca 0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1j9i h GLU 58 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1j9i h GLU 58 CO -0.20 0.00 -0.38 -0.97 -1.00 0.00 0.00 179.01 176.45 1j9i h ASN 59 N 0.00 0.72 -0.42 1.42 -0.73 0.11 -3.08 115.58 113.60 1j9i h ASN 59 Ca 0.00 -0.32 -0.09 0.00 1.87 0.00 0.00 56.30 57.76 1j9i h ASN 59 Cb 0.73 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 1j9i h ASN 59 CO 0.00 1.03 -0.08 -0.08 -0.37 0.00 0.00 177.43 177.93 1j9i h GLU 60 N 0.57 0.80 0.00 6.67 4.81 0.04 -2.19 114.58 125.27 1j9i h GLU 60 Ca 0.05 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1j9i h GLU 60 Cb 0.91 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1j9i h GLU 60 CO 0.08 0.91 0.30 -0.22 -0.73 0.00 0.00 179.01 179.35 1j9i h LYS 61 N 0.62 0.00 0.00 1.92 3.11 -1.51 0.39 116.57 121.11 1j9i h LYS 61 Ca 0.11 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.69 1j9i h LYS 61 Cb 0.60 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.79 1j9i h LYS 61 CO 0.04 0.00 -1.50 -0.07 -2.81 0.00 0.00 179.45 175.11 1j9i h LEU 62 N 0.00 0.00 0.00 5.20 -0.00 -1.40 -3.45 115.31 115.67 1j9i h LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1j9i h LEU 62 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1j9i h LEU 62 CO 0.00 0.96 0.00 0.54 -0.00 0.00 0.00 178.44 179.94 1j9i n ARG 63 N -3.11 0.00 0.00 1.13 5.12 0.14 -5.13 116.66 114.81 1j9i n ARG 63 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1j9i n ARG 63 Cb 1.01 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.31 1j9i n ARG 63 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1j9i n ARG 64 N 0.00 0.00 -3.63 5.56 1.85 -1.18 -5.04 116.66 114.21 1j9i n ARG 64 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.58 1j9i n ARG 64 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 1j9i n ARG 64 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1j9i n GLU 65 N 0.00 2.05 0.00 2.89 2.13 -1.26 -4.88 120.64 121.58 1j9i n GLU 65 Ca 0.00 -4.48 -0.00 0.00 0.66 0.00 0.00 57.16 53.34 1j9i n GLU 65 Cb 0.00 -2.21 -0.00 0.00 0.27 0.00 0.00 31.44 29.50 1j9i n GLU 65 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1j9i n VAL 66 N 1.45 0.14 -1.04 6.31 0.31 -1.26 -5.14 118.33 119.10 1j9i n VAL 66 Ca 0.25 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1j9i n VAL 66 Cb 0.39 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1j9i n VAL 66 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1j9i n GLU 67 N -2.62 -1.77 0.00 5.55 1.02 -1.26 -5.28 120.64 116.27 1j9i n GLU 67 Ca -0.00 1.60 0.10 0.00 -0.02 0.00 0.00 57.16 58.84 1j9i n GLU 67 Cb 0.01 -1.41 0.09 0.00 -0.02 0.00 0.00 31.44 30.10 1j9i n GLU 67 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40