#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipj s ASN 2 N 0.00 3.56 0.00 6.43 0.01 -1.26 -4.92 114.94 118.75 3ipj s ASN 2 Ca 0.00 1.90 0.09 0.00 -0.71 0.00 0.00 52.86 54.14 3ipj s ASN 2 Cb 0.00 -2.48 0.41 0.00 0.41 0.00 0.00 41.25 39.59 3ipj s ASN 2 CO 0.00 -2.65 1.29 0.00 -1.51 0.00 0.00 177.10 174.23 3ipj n ALA 3 N -3.92 1.44 1.41 0.60 0.00 -1.26 -2.63 120.51 116.15 3ipj n ALA 3 Ca 0.09 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.61 3ipj n ALA 3 Cb 0.53 -1.15 0.44 0.00 0.00 0.00 0.00 19.45 19.27 3ipj n ALA 3 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ipj n ASN 4 N -1.48 1.32 -0.18 0.00 6.94 -1.26 -4.50 115.26 116.10 3ipj n ASN 4 Ca 0.02 -1.61 -0.01 0.00 -0.02 0.00 0.00 54.58 52.97 3ipj n ASN 4 Cb 0.11 -0.07 0.08 0.00 -2.36 0.00 0.00 39.78 37.54 3ipj n ASN 4 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3ipj h LYS 5 N 1.81 0.23 -0.05 -3.83 3.64 -1.88 0.73 116.57 117.21 3ipj h LYS 5 Ca 0.00 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 3ipj h LYS 5 Cb 0.39 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ipj h LYS 5 CO 0.00 0.15 -0.83 1.88 -2.27 0.00 0.00 179.45 178.38 3ipj h TYR 6 N 0.23 0.61 -0.44 1.91 0.05 -1.87 -1.21 116.97 116.25 3ipj h TYR 6 Ca 0.28 -0.30 0.05 0.00 0.05 0.00 0.00 58.73 58.81 3ipj h TYR 6 Cb 0.39 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.01 3ipj h TYR 6 CO -0.25 1.09 0.17 -0.97 -1.05 0.00 0.00 178.16 177.16 3ipj h ASN 7 N 0.27 0.21 -0.40 3.88 -0.73 -1.69 0.18 115.58 117.29 3ipj h ASN 7 Ca -0.05 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.16 3ipj h ASN 7 Cb 1.44 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 40.03 3ipj h ASN 7 CO 0.15 0.15 0.25 0.11 -0.37 0.00 0.00 177.43 177.72 3ipj h LYS 8 N 0.35 0.53 -0.03 6.67 1.57 -0.77 -1.16 116.57 123.72 3ipj h LYS 8 Ca 0.20 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3ipj h LYS 8 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3ipj h LYS 8 CO -0.19 0.37 -0.05 0.82 -0.57 0.00 0.00 179.45 179.83 3ipj h ILE 9 N 0.53 0.85 -0.89 1.86 2.04 -0.75 -1.42 117.51 119.74 3ipj h ILE 9 Ca 0.14 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 3ipj h ILE 9 Cb -0.04 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3ipj h ILE 9 CO -0.03 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.66 3ipj h ALA 10 N 0.95 1.29 -0.17 1.87 0.00 -0.42 -0.82 119.26 121.96 3ipj h ALA 10 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ipj h ALA 10 Cb 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ipj h ALA 10 CO -0.08 0.62 -0.03 -0.91 0.00 0.00 0.00 179.25 178.85 3ipj h ASN 11 N 1.22 0.32 -0.47 0.00 -0.26 -0.97 -2.69 115.58 112.73 3ipj h ASN 11 Ca 0.32 -0.35 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 3ipj h ASN 11 Cb -0.07 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 3ipj h ASN 11 CO -0.06 0.59 0.27 -0.33 -1.06 0.00 0.00 177.43 176.84 3ipj h GLU 12 N 0.04 0.65 -0.22 0.81 5.08 -0.94 -0.34 114.58 119.65 3ipj h GLU 12 Ca 0.04 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3ipj h GLU 12 Cb 0.45 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3ipj h GLU 12 CO 0.01 0.50 0.09 -0.07 -1.00 0.00 0.00 179.01 178.54 3ipj h LEU 13 N 0.62 0.12 -0.72 1.33 3.38 -1.22 -2.20 115.31 116.62 3ipj h LEU 13 Ca 0.17 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3ipj h LEU 13 Cb 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3ipj h LEU 13 CO -0.03 0.10 0.17 0.40 0.09 0.00 0.00 178.44 179.17 3ipj h ILE 14 N 0.21 1.26 -0.08 1.22 1.08 -1.29 -0.81 117.51 119.10 3ipj h ILE 14 Ca 0.09 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.61 3ipj h ILE 14 Cb 0.05 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 3ipj h ILE 14 CO -0.08 0.38 -0.11 0.50 -0.69 0.00 0.00 178.15 178.15 3ipj h LYS 15 N 1.08 -0.14 -0.45 2.37 3.64 -0.96 0.30 116.57 122.40 3ipj h LYS 15 Ca 0.22 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 3ipj h LYS 15 Cb 0.38 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3ipj h LYS 15 CO 0.00 -0.09 -0.11 0.82 -2.27 0.00 0.00 179.45 177.80 3ipj h ILE 16 N -0.15 1.27 -0.41 2.00 2.04 -1.20 -2.78 117.51 118.28 3ipj h ILE 16 Ca 0.07 -1.23 -0.13 0.00 1.00 0.00 0.00 64.86 64.57 3ipj h ILE 16 Cb 0.24 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3ipj h ILE 16 CO -0.17 0.42 -0.25 0.40 0.00 0.00 0.00 178.15 178.56 3ipj h ILE 17 N 0.70 1.27 0.00 -0.67 2.04 -1.06 -3.41 117.51 116.39 3ipj h ILE 17 Ca 0.11 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3ipj h ILE 17 Cb 0.65 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3ipj h ILE 17 CO 0.05 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.27 3ipj n GLY 18 N -0.15 1.33 0.29 5.37 0.00 0.10 -4.65 105.19 107.49 3ipj n GLY 18 Ca -0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 3ipj n GLY 18 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ipj h GLU 19 N 0.00 0.99 -0.07 1.61 4.81 -1.83 0.44 114.58 120.54 3ipj h GLU 19 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3ipj h GLU 19 Cb 0.00 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3ipj h GLU 19 CO 0.00 0.74 0.00 -0.40 -0.73 0.00 0.00 179.01 178.62 3ipj n ASP 20 N -4.49 0.40 -0.80 1.04 5.75 -1.26 -2.68 116.55 114.52 3ipj n ASP 20 Ca 0.06 -1.89 0.11 0.00 -0.01 0.00 0.00 54.79 53.06 3ipj n ASP 20 Cb 0.09 -0.05 0.30 0.00 -1.03 0.00 0.00 41.12 40.44 3ipj n ASP 20 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3ipj n ASN 21 N -0.33 2.40 -4.43 -1.12 5.15 0.15 -4.91 115.26 112.17 3ipj n ASN 21 Ca 0.05 -1.82 -0.36 0.00 -0.60 0.00 0.00 54.58 51.84 3ipj n ASN 21 Cb 0.08 -0.14 -0.13 0.00 -0.53 0.00 0.00 39.78 39.06 3ipj n ASN 21 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ipj s ILE 22 N -1.72 4.20 -0.16 -1.44 1.01 -1.09 -0.92 121.20 121.08 3ipj s ILE 22 Ca 0.34 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.49 3ipj s ILE 22 Cb 0.20 -2.98 -0.23 0.00 0.01 0.00 0.00 42.46 39.46 3ipj s ILE 22 CO 0.29 0.32 0.59 0.40 0.00 0.00 0.00 174.94 176.54 3ipj h ILE 23 N 5.59 1.49 -2.30 2.92 2.04 -1.19 -3.48 117.51 122.58 3ipj h ILE 23 Ca -0.38 -2.24 0.11 0.00 1.00 0.00 0.00 64.86 63.35 3ipj h ILE 23 Cb 1.17 2.94 -0.15 0.00 -0.74 0.00 0.00 36.82 40.04 3ipj h ILE 23 CO 0.58 0.51 0.49 -0.94 0.00 0.00 0.00 178.15 178.79 3ipj s SER 24 N -6.35 -0.37 -0.03 1.72 1.04 -1.15 -4.52 113.70 104.05 3ipj s SER 24 Ca -0.21 -0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.25 3ipj s SER 24 Cb -0.01 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 3ipj s SER 24 CO 0.63 -0.63 -0.14 -0.63 0.98 0.00 0.00 173.24 173.45 3ipj s ILE 25 N -3.14 1.15 0.35 -1.02 1.01 0.47 -0.46 121.20 119.56 3ipj s ILE 25 Ca 0.05 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.15 3ipj s ILE 25 Cb -0.01 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 3ipj s ILE 25 CO -0.09 0.34 0.09 0.28 0.00 0.00 0.00 174.94 175.56 3ipj s THR 26 N -0.02 0.85 0.06 2.92 -1.32 0.53 -2.22 115.64 116.43 3ipj s THR 26 Ca -0.01 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.39 3ipj s THR 26 Cb -0.09 -2.58 -0.00 0.00 -1.51 0.00 0.00 72.50 68.31 3ipj s THR 26 CO 0.01 0.00 0.17 -1.38 -2.21 0.00 0.00 174.62 171.21 3ipj s HIS 27 N -3.33 0.13 0.00 9.09 -3.43 -1.26 -0.52 115.29 115.97 3ipj s HIS 27 Ca 0.31 -0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.11 3ipj s HIS 27 Cb 0.06 -0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 3ipj s HIS 27 CO 0.15 -0.47 0.00 0.00 -2.00 0.00 0.00 174.74 172.42 3ipj h ALA 29 N 0.54 1.75 0.00 0.00 0.00 -2.02 -3.35 119.26 116.19 3ipj h ALA 29 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ipj h ALA 29 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ipj h ALA 29 CO 0.00 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.70 3ipj n THR 30 N -4.45 0.00 -4.39 0.00 -2.24 -1.26 -3.60 114.28 98.34 3ipj n THR 30 Ca 0.00 -0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 3ipj n THR 30 Cb 0.11 1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 69.42 3ipj n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ipj s ARG 31 N -0.18 0.79 -0.12 -0.78 0.52 -1.26 -1.32 118.95 116.61 3ipj s ARG 31 Ca 0.00 -0.41 -0.24 0.00 -0.52 0.00 0.00 55.73 54.55 3ipj s ARG 31 Cb 0.00 -0.76 -0.03 0.00 0.52 0.00 0.00 34.95 34.68 3ipj s ARG 31 CO 0.00 0.20 0.77 -1.17 0.02 0.00 0.00 175.30 175.12 3ipj s LEU 32 N -0.39 4.24 -0.29 2.53 2.96 0.39 -1.76 118.68 126.36 3ipj s LEU 32 Ca 0.03 1.17 -0.02 0.00 -0.22 0.00 0.00 54.13 55.09 3ipj s LEU 32 Cb -0.04 -3.16 0.04 0.00 0.50 0.00 0.00 46.19 43.53 3ipj s LEU 32 CO -0.00 -0.27 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.62 3ipj s ARG 33 N 1.54 2.60 -0.26 1.98 0.52 0.32 -0.26 118.95 125.38 3ipj s ARG 33 Ca 0.38 -1.15 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 3ipj s ARG 33 Cb -0.17 -3.14 0.03 0.00 0.52 0.00 0.00 34.95 32.18 3ipj s ARG 33 CO 0.15 -0.54 -0.04 0.08 0.02 0.00 0.00 175.30 174.97 3ipj s VAL 34 N 1.30 3.01 -0.24 3.52 1.01 -0.01 -0.35 120.40 128.63 3ipj s VAL 34 Ca -0.03 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 3ipj s VAL 34 Cb -0.19 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 3ipj s VAL 34 CO -0.02 0.14 1.28 -0.04 0.00 0.00 0.00 175.10 176.46 3ipj s MET 35 N 1.33 4.05 0.17 2.72 -1.94 0.39 0.00 119.30 126.01 3ipj s MET 35 Ca -0.00 1.42 0.06 0.00 -1.71 0.00 0.00 55.69 55.46 3ipj s MET 35 Cb -0.17 -3.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.80 3ipj s MET 35 CO -0.03 -0.94 0.05 0.14 -0.01 0.00 0.00 175.02 174.22 3ipj s VAL 36 N 4.00 4.00 0.10 -6.03 -7.23 -1.11 -0.62 120.40 113.52 3ipj s VAL 36 Ca 0.55 -1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 59.40 3ipj s VAL 36 Cb -0.19 -3.02 -0.23 0.00 0.56 0.00 0.00 36.38 33.50 3ipj s VAL 36 CO 0.19 -0.10 1.22 0.11 -0.31 0.00 0.00 175.10 176.22 3ipj h LYS 37 N 2.64 0.32 -1.59 4.82 1.57 -1.38 -3.45 116.57 119.51 3ipj h LYS 37 Ca -0.47 -0.44 -0.18 0.00 -1.87 0.00 0.00 60.65 57.69 3ipj h LYS 37 Cb 1.20 0.15 -0.27 0.00 0.08 0.00 0.00 32.23 33.39 3ipj h LYS 37 CO 0.60 1.16 -0.53 0.34 -0.57 0.00 0.00 179.45 180.44 3ipj s ASP 38 N -7.11 0.10 0.29 0.86 2.15 -1.26 -5.02 116.67 106.67 3ipj s ASP 38 Ca -0.05 -0.54 0.26 0.00 0.43 0.00 0.00 52.55 52.65 3ipj s ASP 38 Cb 0.08 1.21 0.91 0.00 -0.30 0.00 0.00 42.92 44.82 3ipj s ASP 38 CO 0.87 -0.32 1.76 0.08 -0.17 0.00 0.00 175.17 177.40 3ipj h ARG 39 N 7.87 0.00 0.00 4.34 -0.00 -1.96 -3.18 114.38 121.45 3ipj h ARG 39 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 3ipj h ARG 39 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 3ipj h ARG 39 CO 0.23 0.00 0.00 0.93 -0.00 0.00 0.00 179.97 181.13 3ipj h GLU 40 N 0.00 0.00 -0.72 0.08 5.08 -2.01 -2.31 114.58 114.70 3ipj h GLU 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ipj h GLU 40 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3ipj h GLU 40 CO 0.00 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.45 3ipj n ILE 41 N -2.67 1.04 -3.64 3.13 -5.35 -1.20 -4.89 119.36 105.77 3ipj n ILE 41 Ca 0.01 -1.01 -0.37 0.00 -0.27 0.00 0.00 62.75 61.11 3ipj n ILE 41 Cb 0.26 0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 38.55 3ipj n ILE 41 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ipj s ILE 42 N -1.04 5.35 -0.81 7.28 1.01 -0.87 -4.95 121.20 127.17 3ipj s ILE 42 Ca 0.48 0.18 -0.26 0.00 0.00 0.00 0.00 60.65 61.05 3ipj s ILE 42 Cb 0.25 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 39.24 3ipj s ILE 42 CO 0.32 0.32 1.43 0.21 0.00 0.00 0.00 174.94 177.23 3ipj s ASN 43 N 1.21 6.09 0.33 3.58 3.84 -1.26 -4.89 114.94 123.84 3ipj s ASN 43 Ca 0.07 -0.65 0.04 0.00 0.21 0.00 0.00 52.86 52.53 3ipj s ASN 43 Cb -0.14 -2.56 0.65 0.00 -0.55 0.00 0.00 41.25 38.65 3ipj s ASN 43 CO 0.06 -1.86 1.91 0.44 -2.79 0.00 0.00 177.10 174.86 3ipj h ASP 44 N 10.62 0.79 -0.44 -4.21 3.32 -1.97 -1.99 116.42 122.54 3ipj h ASP 44 Ca -0.12 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 3ipj h ASP 44 Cb 1.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 3ipj h ASP 44 CO 1.31 0.48 0.09 0.11 -1.72 0.00 0.00 179.24 179.51 3ipj h LYS 45 N 0.88 0.79 -0.01 3.56 1.79 -2.00 -0.83 116.57 120.76 3ipj h LYS 45 Ca 0.38 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3ipj h LYS 45 Cb 0.33 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3ipj h LYS 45 CO -0.15 0.74 -0.00 0.87 -1.08 0.00 0.00 179.45 179.83 3ipj h LYS 46 N 0.76 0.02 -0.66 3.15 1.57 -1.87 -3.17 116.57 116.37 3ipj h LYS 46 Ca 0.16 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.04 3ipj h LYS 46 Cb 0.33 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 3ipj h LYS 46 CO 0.00 0.41 0.24 0.28 -0.57 0.00 0.00 179.45 179.82 3ipj h VAL 47 N -0.37 0.72 -0.04 0.50 2.07 -1.19 -1.46 116.25 116.48 3ipj h VAL 47 Ca 0.00 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3ipj h VAL 47 Cb 0.40 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3ipj h VAL 47 CO 0.00 0.07 0.10 -0.33 0.02 0.00 0.00 177.57 177.44 3ipj h GLU 48 N 0.41 0.00 0.00 1.57 5.08 -1.15 -1.94 114.58 118.54 3ipj h GLU 48 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3ipj h GLU 48 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ipj h GLU 48 CO -0.35 0.00 -0.23 0.87 -1.00 0.00 0.00 179.01 178.30 3ipj h LYS 49 N 0.00 0.00 -6.89 2.33 1.57 -1.24 -3.45 116.57 108.89 3ipj h LYS 49 Ca 0.02 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 3ipj h LYS 49 Cb 0.23 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.62 3ipj h LYS 49 CO -0.00 0.00 0.70 0.08 -0.57 0.00 0.00 179.45 179.66 3ipj s VAL 50 N -3.15 2.47 0.11 0.50 1.01 -0.73 -4.90 120.40 115.70 3ipj s VAL 50 Ca 0.08 0.47 -0.34 0.00 0.00 0.00 0.00 61.98 62.19 3ipj s VAL 50 Cb 0.11 -3.30 -0.18 0.00 0.00 0.00 0.00 36.38 33.01 3ipj s VAL 50 CO 0.65 0.11 0.89 -0.67 0.00 0.00 0.00 175.10 176.08 3ipj n ASP 51 N 0.78 -0.21 0.00 3.32 2.03 -1.26 -1.25 116.55 119.97 3ipj n ASP 51 Ca 0.01 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 3ipj n ASP 51 Cb 0.41 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 3ipj n ASP 51 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ipj n GLU 52 N 1.36 0.00 -2.22 -0.67 -0.58 -1.26 -4.95 120.64 112.32 3ipj n GLU 52 Ca 0.18 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.50 3ipj n GLU 52 Cb 0.17 -2.93 -0.02 0.00 -0.57 0.00 0.00 31.44 28.09 3ipj n GLU 52 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ipj s VAL 53 N -1.89 3.93 -0.21 2.62 1.01 -0.38 -4.43 120.40 121.05 3ipj s VAL 53 Ca 0.00 1.12 0.20 0.00 0.00 0.00 0.00 61.98 63.29 3ipj s VAL 53 Cb 0.00 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3ipj s VAL 53 CO 0.00 -0.14 1.08 0.11 0.00 0.00 0.00 175.10 176.16 3ipj h LYS 54 N 9.05 0.00 0.00 2.72 1.57 -0.74 -3.47 116.57 125.70 3ipj h LYS 54 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3ipj h LYS 54 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3ipj h LYS 54 CO 0.97 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 3ipj n GLY 55 N 1.25 1.49 3.01 3.86 0.00 -1.24 -4.98 105.19 108.58 3ipj n GLY 55 Ca -0.03 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 3ipj n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ipj s VAL 56 N -2.00 0.56 0.07 1.61 -7.23 -1.26 -0.35 120.40 111.79 3ipj s VAL 56 Ca 0.00 -0.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 3ipj s VAL 56 Cb 0.00 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.41 3ipj s VAL 56 CO 0.00 0.03 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.36 3ipj s PHE 57 N -0.44 0.93 -0.07 2.82 0.08 -0.66 -5.00 117.98 115.63 3ipj s PHE 57 Ca -0.00 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.52 3ipj s PHE 57 Cb -0.04 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 3ipj s PHE 57 CO -0.00 -0.03 -0.16 0.12 -0.10 0.00 0.00 175.22 175.05 3ipj s PHE 58 N -1.80 1.80 -0.08 0.36 5.36 -1.26 0.12 117.98 122.48 3ipj s PHE 58 Ca -0.02 -0.69 -0.21 0.00 -0.96 0.00 0.00 56.93 55.04 3ipj s PHE 58 Cb -0.07 -1.27 0.05 0.00 -0.34 0.00 0.00 43.02 41.39 3ipj s PHE 58 CO 0.00 -0.32 0.51 -0.08 -1.46 0.00 0.00 175.22 173.87 3ipj s THR 59 N 0.54 0.02 -1.45 0.12 -1.32 -0.77 -4.99 115.64 107.79 3ipj s THR 59 Ca -0.16 -0.17 -0.08 0.00 -1.21 0.00 0.00 61.69 60.08 3ipj s THR 59 Cb -0.16 -0.79 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 3ipj s THR 59 CO 0.05 -0.09 0.93 -1.20 -2.21 0.00 0.00 174.62 172.11 3ipj n SER 60 N 1.62 -6.03 0.00 8.08 7.64 -1.26 -1.01 113.62 122.66 3ipj n SER 60 Ca -0.18 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.23 3ipj n SER 60 Cb 0.56 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 3ipj n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ipj n GLY 61 N -1.77 1.37 3.48 0.23 0.00 -1.26 -4.99 105.19 102.24 3ipj n GLY 61 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3ipj n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ipj s GLN 62 N -0.12 3.72 -0.36 1.61 -0.21 -0.18 -2.75 119.66 121.38 3ipj s GLN 62 Ca 0.00 -0.45 -0.25 0.00 0.02 0.00 0.00 55.36 54.68 3ipj s GLN 62 Cb 0.00 -3.33 0.01 0.00 1.00 0.00 0.00 33.01 30.69 3ipj s GLN 62 CO 0.00 -0.12 0.89 -0.47 -2.12 0.00 0.00 175.29 173.46 3ipj s TYR 63 N 1.44 3.10 -0.19 0.91 5.04 0.10 -1.85 117.35 125.90 3ipj s TYR 63 Ca 0.06 0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 55.39 3ipj s TYR 63 Cb -0.15 -3.55 -0.02 0.00 0.35 0.00 0.00 41.96 38.60 3ipj s TYR 63 CO 0.04 -0.77 -0.03 -0.65 -1.34 0.00 0.00 175.55 172.79 3ipj s GLN 64 N 3.34 3.51 -0.21 4.97 -0.21 0.12 -0.83 119.66 130.35 3ipj s GLN 64 Ca 0.36 -0.58 -0.02 0.00 0.02 0.00 0.00 55.36 55.15 3ipj s GLN 64 Cb -0.12 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.91 3ipj s GLN 64 CO 0.17 -0.01 -0.09 0.42 -2.12 0.00 0.00 175.29 173.66 3ipj s ILE 65 N 1.02 2.90 -0.29 1.08 1.01 0.64 -1.65 121.20 125.91 3ipj s ILE 65 Ca 0.01 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 3ipj s ILE 65 Cb -0.15 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.02 3ipj s ILE 65 CO 0.01 0.43 0.89 -0.63 0.00 0.00 0.00 174.94 175.64 3ipj s ILE 66 N 1.40 4.73 0.00 2.92 1.01 0.53 -0.46 121.20 131.32 3ipj s ILE 66 Ca 0.05 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.17 3ipj s ILE 66 Cb -0.14 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3ipj s ILE 66 CO -0.07 -0.26 0.00 0.18 0.00 0.00 0.00 174.94 174.80 3ipj n LEU 67 N 6.32 0.00 0.00 2.97 4.77 -0.43 0.01 117.00 130.63 3ipj n LEU 67 Ca 0.07 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3ipj n LEU 67 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3ipj n LEU 67 CO 0.52 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3ipj n GLY 68 N 1.53 -1.27 3.75 -0.72 0.00 -0.57 -4.50 105.19 103.41 3ipj n GLY 68 Ca 0.00 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 3ipj n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ipj s THR 69 N -2.28 2.13 0.00 2.61 -4.23 -1.24 -1.60 115.64 111.03 3ipj s THR 69 Ca 0.00 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 3ipj s THR 69 Cb 0.00 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3ipj s THR 69 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3ipj n GLY 70 N 0.68 1.59 0.25 3.99 0.00 -1.26 -4.51 105.19 105.93 3ipj n GLY 70 Ca 0.09 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3ipj n GLY 70 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ipj h ILE 71 N 0.00 0.74 -0.69 -0.61 1.08 -1.82 -1.47 117.51 114.75 3ipj h ILE 71 Ca 0.00 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 3ipj h ILE 71 Cb 0.00 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 33.97 3ipj h ILE 71 CO 0.00 0.08 0.32 1.62 -0.69 0.00 0.00 178.15 179.48 3ipj h VAL 72 N 0.45 1.23 -0.30 1.67 3.04 -1.53 0.63 116.25 121.43 3ipj h VAL 72 Ca 0.35 -0.65 -0.01 0.00 -1.01 0.00 0.00 66.70 65.37 3ipj h VAL 72 Cb 0.46 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 3ipj h VAL 72 CO -0.33 0.27 0.15 0.78 -1.01 0.00 0.00 177.57 177.42 3ipj h ASN 73 N 0.98 0.40 -0.24 3.17 2.35 -1.58 0.46 115.58 121.12 3ipj h ASN 73 Ca 0.24 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3ipj h ASN 73 Cb 0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3ipj h ASN 73 CO -0.03 0.41 0.14 0.11 -1.65 0.00 0.00 177.43 176.41 3ipj h LYS 74 N 0.36 0.32 -0.27 0.81 1.57 -0.60 -0.39 116.57 118.37 3ipj h LYS 74 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3ipj h LYS 74 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3ipj h LYS 74 CO -0.01 0.25 0.15 0.28 -0.57 0.00 0.00 179.45 179.54 3ipj h VAL 75 N 0.30 1.12 -0.53 0.50 2.07 -0.80 -2.86 116.25 116.04 3ipj h VAL 75 Ca 0.08 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3ipj h VAL 75 Cb 0.01 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3ipj h VAL 75 CO -0.02 0.12 0.35 0.22 0.02 0.00 0.00 177.57 178.26 3ipj h TYR 76 N 0.32 0.59 -0.28 1.57 3.20 -0.83 -1.01 116.97 120.52 3ipj h TYR 76 Ca 0.09 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3ipj h TYR 76 Cb 0.06 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3ipj h TYR 76 CO -0.03 0.35 -0.00 0.00 -1.64 0.00 0.00 178.16 176.83 3ipj h ALA 77 N 1.69 1.48 -0.15 1.82 0.00 -0.84 -1.56 119.26 121.71 3ipj h ALA 77 Ca 0.21 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3ipj h ALA 77 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ipj h ALA 77 CO -0.05 0.37 -0.66 0.93 0.00 0.00 0.00 179.25 179.83 3ipj h GLU 78 N 0.41 0.57 -0.41 0.00 4.39 -1.14 -3.18 114.58 115.21 3ipj h GLU 78 Ca 0.09 -0.42 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 3ipj h GLU 78 Cb 0.27 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3ipj h GLU 78 CO 0.01 1.04 -0.00 0.28 -1.16 0.00 0.00 179.01 179.17 3ipj h VAL 79 N 0.41 1.22 -0.56 3.13 2.07 -0.79 -2.58 116.25 119.15 3ipj h VAL 79 Ca -0.02 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3ipj h VAL 79 Cb 1.24 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3ipj h VAL 79 CO 0.12 0.32 0.37 -0.33 0.02 0.00 0.00 177.57 178.07 3ipj h GLU 80 N 0.63 0.74 0.00 1.57 5.08 -1.28 -2.11 114.58 119.21 3ipj h GLU 80 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ipj h GLU 80 Cb 0.40 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ipj h GLU 80 CO 0.02 0.50 0.00 1.63 -1.00 0.00 0.00 179.01 180.15 3ipj n LYS 81 N -4.45 0.23 -0.22 2.33 5.02 -0.97 -4.06 118.16 116.03 3ipj n LYS 81 Ca 0.05 0.10 0.08 0.00 -2.02 0.00 0.00 58.31 56.52 3ipj n LYS 81 Cb 0.05 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.73 3ipj n LYS 81 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3ipj n MET 82 N -1.14 2.32 -1.36 1.97 2.81 -0.79 -4.99 117.12 115.94 3ipj n MET 82 Ca 0.06 -2.48 -0.05 0.00 -1.81 0.00 0.00 57.70 53.42 3ipj n MET 82 Cb 0.06 -1.54 -0.02 0.00 -0.71 0.00 0.00 33.22 31.01 3ipj n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ipj n GLY 83 N -0.73 0.61 3.98 3.03 0.00 -1.26 -5.04 105.19 105.80 3ipj n GLY 83 Ca 0.16 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 3ipj n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipj s LEU 84 N -1.15 3.36 -0.80 0.99 1.02 -1.26 -5.04 118.68 115.80 3ipj s LEU 84 Ca 0.00 -0.13 -0.22 0.00 0.02 0.00 0.00 54.13 53.80 3ipj s LEU 84 Cb 0.00 -2.79 0.08 0.00 0.02 0.00 0.00 46.19 43.51 3ipj s LEU 84 CO 0.00 -1.07 1.10 -0.75 0.02 0.00 0.00 176.35 175.66 3ipj s LYS 85 N -4.67 3.33 -0.43 1.70 2.20 -1.26 -4.98 119.74 115.63 3ipj s LYS 85 Ca 0.57 -1.12 -0.12 0.00 -0.36 0.00 0.00 55.97 54.95 3ipj s LYS 85 Cb -0.10 -4.58 0.07 0.00 -1.51 0.00 0.00 37.83 31.71 3ipj s LYS 85 CO 0.37 -1.88 0.30 0.95 -0.36 0.00 0.00 175.35 174.73 3ipj s THR 86 N 3.87 4.61 -0.42 3.43 -4.23 -1.26 -0.40 115.64 121.24 3ipj s THR 86 Ca 0.29 -1.22 0.16 0.00 -1.18 0.00 0.00 61.69 59.74 3ipj s THR 86 Cb -0.10 -3.77 0.59 0.00 1.34 0.00 0.00 72.50 70.56 3ipj s THR 86 CO 0.02 -0.50 1.50 0.18 -0.54 0.00 0.00 174.62 175.28 3ipj n LEU 87 N 5.02 4.28 0.08 4.79 4.77 -0.94 -4.51 117.00 130.50 3ipj n LEU 87 Ca -0.11 -2.79 -0.15 0.00 -0.03 0.00 0.00 56.01 52.93 3ipj n LEU 87 Cb 0.44 -0.54 -0.14 0.00 -2.33 0.00 0.00 43.42 40.85 3ipj n LEU 87 CO 0.41 0.69 -0.13 -1.28 -1.33 0.00 0.00 177.39 175.75 3ipj h SER 88 N 2.61 0.36 -3.91 -1.43 0.87 -1.92 -3.45 113.55 106.68 3ipj h SER 88 Ca 0.00 -0.42 -0.46 0.00 -1.23 0.00 0.00 61.79 59.67 3ipj h SER 88 Cb 1.47 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 3ipj h SER 88 CO 0.25 1.34 0.32 -0.75 -0.53 0.00 0.00 176.83 177.46 3ipj s LYS 89 N -2.65 4.43 -0.09 2.24 2.47 -1.26 -5.04 119.74 119.85 3ipj s LYS 89 Ca -0.05 1.20 -0.25 0.00 -1.56 0.00 0.00 55.97 55.31 3ipj s LYS 89 Cb 0.07 -2.60 -0.03 0.00 -1.46 0.00 0.00 37.83 33.81 3ipj s LYS 89 CO 0.87 0.19 0.78 0.15 0.16 0.00 0.00 175.35 177.50 3ipj s LYS 90 N -2.43 4.41 1.07 4.03 1.02 -1.26 -5.04 119.74 121.54 3ipj s LYS 90 Ca 0.53 1.00 -0.12 0.00 0.02 0.00 0.00 55.97 57.40 3ipj s LYS 90 Cb -0.15 -3.49 0.23 0.00 -0.52 0.00 0.00 37.83 33.90 3ipj s LYS 90 CO 0.20 -0.07 1.06 -1.21 -0.92 0.00 0.00 175.35 174.41 3ipj s GLU 91 N 1.25 -0.16 0.03 1.68 2.02 -1.26 -4.89 118.70 117.36 3ipj s GLU 91 Ca 0.40 0.70 -0.30 0.00 0.02 0.00 0.00 54.97 55.79 3ipj s GLU 91 Cb -0.18 -1.65 -0.08 0.00 0.10 0.00 0.00 34.13 32.32 3ipj s GLU 91 CO 0.18 -3.18 1.87 -1.14 0.02 0.00 0.00 175.26 173.01 3ipj s GLN 92 N -4.73 4.15 0.27 1.61 0.74 -1.26 -4.98 119.66 115.47 3ipj s GLN 92 Ca 0.67 2.50 -0.30 0.00 0.05 0.00 0.00 55.36 58.28 3ipj s GLN 92 Cb -0.22 -4.03 -0.10 0.00 1.10 0.00 0.00 33.01 29.76 3ipj s GLN 92 CO 0.61 -0.91 1.41 -0.51 -0.55 0.00 0.00 175.29 175.34 3ipj s ASP 93 N 3.91 6.68 0.86 6.67 1.01 -1.26 -5.03 116.67 129.50 3ipj s ASP 93 Ca 0.84 2.68 -0.12 0.00 0.71 0.00 0.00 52.55 56.65 3ipj s ASP 93 Cb -0.41 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.00 3ipj s ASP 93 CO 0.38 -0.67 1.11 -1.61 0.21 0.00 0.00 175.17 174.59 3ipj s GLU 94 N -0.74 1.60 0.00 8.23 0.41 -1.26 -5.31 118.70 121.63 3ipj s GLU 94 Ca 0.57 0.57 0.29 0.00 -0.41 0.00 0.00 54.97 55.99 3ipj s GLU 94 Cb -0.41 -1.87 1.72 0.00 -1.78 0.00 0.00 34.13 31.79 3ipj s GLU 94 CO 0.46 -1.94 2.06 1.28 -0.49 0.00 0.00 175.26 176.63