#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 3.63 0.00 6.43 0.01 -1.26 -4.93 114.94 118.82 3ipj s ASN 2 Ca 0.00 2.03 0.14 0.00 -0.71 0.00 0.00 52.86 54.32 3ipj s ASN 2 Cb 0.00 -2.55 0.68 0.00 0.41 0.00 0.00 41.25 39.79 3ipj s ASN 2 CO 0.00 -2.62 1.36 0.00 -1.51 0.00 0.00 177.10 174.33 3ipj n ALA 3 N -3.90 1.78 1.21 0.60 0.00 -1.26 -2.13 120.51 116.80 3ipj n ALA 3 Ca 0.11 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.59 3ipj n ALA 3 Cb 0.52 -1.22 0.37 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.30 1.68 -0.30 0.00 6.94 -1.26 -4.43 115.26 116.60 3ipj n ASN 4 Ca 0.06 -1.72 0.09 0.00 -0.02 0.00 0.00 54.58 53.00 3ipj n ASN 4 Cb 0.11 -0.11 0.25 0.00 -2.36 0.00 0.00 39.78 37.67 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 2.22 0.49 0.00 -3.83 3.64 -1.80 -1.61 116.57 115.68 3ipj h LYS 5 Ca 0.00 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.11 3ipj h LYS 5 Cb 0.49 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 3ipj h LYS 5 CO 0.00 0.33 -1.23 1.88 -2.27 0.00 0.00 179.45 178.16 3ipj h TYR 6 N 0.51 0.00 -0.06 1.91 0.05 -1.86 -2.89 116.97 114.64 3ipj h TYR 6 Ca 0.50 -0.00 -0.16 0.00 0.05 0.00 0.00 58.73 59.12 3ipj h TYR 6 Cb 0.82 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 3ipj h TYR 6 CO -0.12 1.00 -0.66 -0.97 -1.05 0.00 0.00 178.16 176.36 3ipj h ASN 7 N 0.00 0.28 0.07 3.88 -0.73 -1.79 -1.84 115.58 115.45 3ipj h ASN 7 Ca -0.10 -0.17 -0.00 0.00 1.87 0.00 0.00 56.30 57.90 3ipj h ASN 7 Cb 1.85 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 40.36 3ipj h ASN 7 CO 0.11 0.85 -0.03 0.11 -0.37 0.00 0.00 177.43 178.10 3ipj h LYS 8 N 0.17 -0.09 -0.26 6.67 1.57 -1.27 -0.14 116.57 123.22 3ipj h LYS 8 Ca -0.01 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3ipj h LYS 8 Cb 1.18 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 3ipj h LYS 8 CO 0.10 0.11 -0.14 0.82 -0.57 0.00 0.00 179.45 179.77 3ipj h ILE 9 N -0.28 0.58 -0.39 1.86 2.04 -1.57 0.67 117.51 120.41 3ipj h ILE 9 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3ipj h ILE 9 Cb 0.25 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3ipj h ILE 9 CO 0.02 0.00 0.04 0.00 0.00 0.00 0.00 178.15 178.21 3ipj h ALA 10 N 1.08 0.39 -0.74 1.87 0.00 -1.19 0.12 119.26 120.79 3ipj h ALA 10 Ca 0.14 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3ipj h ALA 10 Cb 0.32 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3ipj h ALA 10 CO -0.33 -0.36 0.24 -0.91 0.00 0.00 0.00 179.25 177.90 3ipj h ASN 11 N 0.16 1.08 -0.45 0.00 4.21 -0.65 -0.48 115.58 119.44 3ipj h ASN 11 Ca 0.19 -0.20 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 3ipj h ASN 11 Cb 0.25 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 3ipj h ASN 11 CO -0.28 0.99 0.16 -0.33 -1.29 0.00 0.00 177.43 176.68 3ipj h GLU 12 N 1.10 0.69 0.00 0.81 5.08 -0.24 -0.14 114.58 121.88 3ipj h GLU 12 Ca 0.24 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ipj h GLU 12 Cb 0.29 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3ipj h GLU 12 CO -0.01 0.65 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.57 3ipj h LEU 13 N 0.59 -0.04 -0.63 1.33 3.38 -0.50 -0.91 115.31 118.52 3ipj h LEU 13 Ca 0.15 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3ipj h LEU 13 Cb 0.24 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3ipj h LEU 13 CO -0.01 -0.02 0.39 0.40 0.09 0.00 0.00 178.44 179.29 3ipj h ILE 14 N -0.03 1.07 -0.85 1.22 1.08 -0.95 -1.24 117.51 117.82 3ipj h ILE 14 Ca 0.01 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 3ipj h ILE 14 Cb 0.03 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 33.99 3ipj h ILE 14 CO -0.01 0.14 0.43 0.50 -0.69 0.00 0.00 178.15 178.52 3ipj h LYS 15 N 0.76 1.20 -0.07 2.37 3.64 -0.69 0.22 116.57 124.00 3ipj h LYS 15 Ca 0.26 -0.16 -0.22 0.00 -1.27 0.00 0.00 60.65 59.25 3ipj h LYS 15 Cb 0.04 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3ipj h LYS 15 CO -0.11 0.90 -0.86 0.82 -2.27 0.00 0.00 179.45 177.93 3ipj h ILE 16 N 1.20 1.33 -0.22 2.00 2.04 -0.69 -3.27 117.51 119.90 3ipj h ILE 16 Ca 0.29 -2.18 -0.21 0.00 1.00 0.00 0.00 64.86 63.77 3ipj h ILE 16 Cb 0.08 2.19 0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3ipj h ILE 16 CO -0.04 0.67 -0.67 0.40 0.00 0.00 0.00 178.15 178.50 3ipj h ILE 17 N 0.38 1.27 0.00 -0.67 2.04 -1.12 -3.40 117.51 116.01 3ipj h ILE 17 Ca -0.07 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 63.93 3ipj h ILE 17 Cb 1.48 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3ipj h ILE 17 CO 0.16 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.52 3ipj n GLY 18 N 0.55 2.05 0.26 5.37 0.00 0.76 -4.66 105.19 109.52 3ipj n GLY 18 Ca -0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 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 0.72 -0.23 1.61 4.81 -1.87 -0.82 114.58 118.81 3ipj h GLU 19 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3ipj h GLU 19 Cb 0.00 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.22 3ipj h GLU 19 CO 0.00 0.48 0.00 -0.40 -0.73 0.00 0.00 179.01 178.36 3ipj n ASP 20 N -4.75 1.62 -0.54 1.04 5.75 -1.26 -2.82 116.55 115.59 3ipj n ASP 20 Ca 0.08 -1.82 0.13 0.00 -0.01 0.00 0.00 54.79 53.18 3ipj n ASP 20 Cb 0.15 -0.15 0.47 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.32 1.67 -4.63 -1.12 5.15 -0.31 -4.89 115.26 111.45 3ipj n ASN 21 Ca 0.14 -1.58 -0.37 0.00 -0.60 0.00 0.00 54.58 52.18 3ipj n ASN 21 Cb 0.29 -0.02 -0.10 0.00 -0.53 0.00 0.00 39.78 39.42 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 -1.96 5.23 -0.16 -1.44 1.01 -1.13 -0.97 121.20 121.78 3ipj s ILE 22 Ca 0.36 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 3ipj s ILE 22 Cb 0.20 -3.45 -0.18 0.00 0.01 0.00 0.00 42.46 39.05 3ipj s ILE 22 CO 0.32 0.33 0.39 0.40 0.00 0.00 0.00 174.94 176.38 3ipj h ILE 23 N 5.13 1.09 -2.59 2.92 2.04 -0.63 -3.47 117.51 121.99 3ipj h ILE 23 Ca -0.37 -1.97 0.12 0.00 1.00 0.00 0.00 64.86 63.63 3ipj h ILE 23 Cb 1.17 2.21 -0.08 0.00 -0.74 0.00 0.00 36.82 39.39 3ipj h ILE 23 CO 0.63 0.37 0.38 -0.94 0.00 0.00 0.00 178.15 178.59 3ipj s SER 24 N -6.28 -0.25 -0.03 1.72 1.04 -1.18 -4.54 113.70 104.17 3ipj s SER 24 Ca -0.19 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.82 3ipj s SER 24 Cb 0.01 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3ipj s SER 24 CO 0.52 -1.02 0.09 -0.63 0.98 0.00 0.00 173.24 173.17 3ipj s ILE 25 N -3.50 -0.01 0.00 -1.02 1.01 0.08 -1.00 121.20 116.75 3ipj s ILE 25 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3ipj s ILE 25 Cb -0.03 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.31 3ipj s ILE 25 CO 0.01 0.01 0.00 1.07 0.00 0.00 0.00 174.94 176.04 3ipj n THR 26 N 3.24 0.00 -3.62 2.92 5.66 -0.54 -0.11 114.28 121.83 3ipj n THR 26 Ca -0.15 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.75 3ipj n THR 26 Cb 0.58 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.32 3ipj n THR 26 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 3ipj s HIS 27 N -2.10 -0.26 0.00 1.09 -3.43 -1.26 -0.82 115.29 108.50 3ipj s HIS 27 Ca 0.00 -0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.22 3ipj s HIS 27 Cb 0.00 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 3ipj s HIS 27 CO 0.00 -0.84 0.00 0.00 -2.00 0.00 0.00 174.74 171.90 3ipj h ALA 29 N 0.70 1.03 0.00 0.00 0.00 -2.02 -3.34 119.26 115.63 3ipj h ALA 29 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ipj h ALA 29 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ipj h ALA 29 CO 0.00 0.36 -0.20 0.25 0.00 0.00 0.00 179.25 179.66 3ipj n THR 30 N -3.48 0.00 -5.09 0.00 -2.24 -1.26 -3.55 114.28 98.66 3ipj n THR 30 Ca -0.00 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.38 3ipj n THR 30 Cb 0.45 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.64 1.82 -0.18 -0.78 0.52 -1.26 -0.93 118.95 117.50 3ipj s ARG 31 Ca 0.00 -0.79 -0.27 0.00 -0.52 0.00 0.00 55.73 54.15 3ipj s ARG 31 Cb 0.00 -1.74 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 3ipj s ARG 31 CO 0.00 0.46 0.91 -1.17 0.02 0.00 0.00 175.30 175.52 3ipj s LEU 32 N -0.48 4.16 -0.28 2.53 2.96 -0.45 -0.68 118.68 126.45 3ipj s LEU 32 Ca 0.08 1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 55.24 3ipj s LEU 32 Cb -0.09 -3.36 0.04 0.00 0.50 0.00 0.00 46.19 43.29 3ipj s LEU 32 CO -0.01 -0.48 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.38 3ipj s ARG 33 N 2.43 2.58 -0.27 1.98 0.52 -0.00 -0.97 118.95 125.21 3ipj s ARG 33 Ca 0.41 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 54.42 3ipj s ARG 33 Cb -0.16 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.23 3ipj s ARG 33 CO 0.11 -0.53 0.00 0.08 0.02 0.00 0.00 175.30 174.98 3ipj s VAL 34 N 1.27 3.38 -0.25 3.52 1.01 -0.19 -1.46 120.40 127.67 3ipj s VAL 34 Ca -0.03 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 3ipj s VAL 34 Cb -0.19 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.48 3ipj s VAL 34 CO -0.03 0.16 1.16 -0.04 0.00 0.00 0.00 175.10 176.36 3ipj s MET 35 N 1.41 4.13 0.15 2.72 -1.94 -0.17 -0.24 119.30 125.36 3ipj s MET 35 Ca 0.02 1.33 0.08 0.00 -1.71 0.00 0.00 55.69 55.41 3ipj s MET 35 Cb -0.17 -3.75 -0.04 0.00 2.01 0.00 0.00 34.83 32.89 3ipj s MET 35 CO -0.01 -0.82 -0.09 0.14 -0.01 0.00 0.00 175.02 174.22 3ipj s VAL 36 N 3.64 3.28 0.06 -6.03 -7.23 -1.14 0.14 120.40 113.12 3ipj s VAL 36 Ca 0.50 -1.51 -0.18 0.00 -1.81 0.00 0.00 61.98 58.98 3ipj s VAL 36 Cb -0.16 -2.59 -0.13 0.00 0.56 0.00 0.00 36.38 34.05 3ipj s VAL 36 CO 0.14 -0.03 1.33 0.11 -0.31 0.00 0.00 175.10 176.35 3ipj h LYS 37 N 3.14 0.51 -2.68 4.82 1.57 -1.41 -3.44 116.57 119.09 3ipj h LYS 37 Ca -0.48 -0.31 -0.50 0.00 -1.87 0.00 0.00 60.65 57.50 3ipj h LYS 37 Cb 1.19 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 33.14 3ipj h LYS 37 CO 0.53 0.90 -0.76 0.34 -0.57 0.00 0.00 179.45 179.90 3ipj s ASP 38 N -6.41 3.23 0.52 0.86 2.15 -1.26 -4.99 116.67 110.76 3ipj s ASP 38 Ca -0.13 -1.21 0.20 0.00 0.43 0.00 0.00 52.55 51.84 3ipj s ASP 38 Cb 0.06 -0.21 1.35 0.00 -0.30 0.00 0.00 42.92 43.82 3ipj s ASP 38 CO 0.80 -0.43 2.12 0.08 -0.17 0.00 0.00 175.17 177.57 3ipj h ARG 39 N 8.37 0.00 0.00 4.34 -0.00 -1.95 -3.15 114.38 121.99 3ipj h ARG 39 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.79 3ipj h ARG 39 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.99 3ipj h ARG 39 CO 0.42 0.06 0.00 0.39 -0.00 0.00 0.00 179.97 180.84 3ipj n GLU 40 N -4.22 0.51 -0.12 0.08 1.02 -1.26 -1.26 120.64 115.40 3ipj n GLU 40 Ca -0.03 0.04 0.07 0.00 -0.02 0.00 0.00 57.16 57.23 3ipj n GLU 40 Cb 0.15 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.20 3ipj n GLU 40 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3ipj n ILE 41 N -1.14 0.51 -3.37 -3.67 -5.35 -1.19 -4.96 119.36 100.18 3ipj n ILE 41 Ca 0.14 -0.76 -0.39 0.00 -0.27 0.00 0.00 62.75 61.47 3ipj n ILE 41 Cb 0.12 0.89 -0.08 0.00 -1.74 0.00 0.00 39.64 38.83 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 -1.10 5.17 -0.81 7.28 1.01 -0.39 -4.97 121.20 127.40 3ipj s ILE 42 Ca 0.23 0.64 -0.24 0.00 0.00 0.00 0.00 60.65 61.29 3ipj s ILE 42 Cb 0.14 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.95 3ipj s ILE 42 CO 0.19 0.18 1.21 0.21 0.00 0.00 0.00 174.94 176.73 3ipj s ASN 43 N 1.43 6.31 0.29 3.58 3.84 -1.26 -4.87 114.94 124.26 3ipj s ASN 43 Ca 0.17 -1.07 -0.01 0.00 0.21 0.00 0.00 52.86 52.16 3ipj s ASN 43 Cb -0.15 -2.50 0.46 0.00 -0.55 0.00 0.00 41.25 38.51 3ipj s ASN 43 CO 0.09 -1.54 1.93 0.44 -2.79 0.00 0.00 177.10 175.23 3ipj h ASP 44 N 9.67 0.96 -0.31 -4.21 3.32 -1.95 -1.53 116.42 122.38 3ipj h ASP 44 Ca -0.11 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3ipj h ASP 44 Cb 1.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3ipj h ASP 44 CO 1.26 0.65 0.12 0.11 -1.72 0.00 0.00 179.24 179.66 3ipj h LYS 45 N 1.11 0.52 -0.06 3.56 1.79 -1.99 -0.13 116.57 121.36 3ipj h LYS 45 Ca 0.37 -0.07 -0.21 0.00 -2.18 0.00 0.00 60.65 58.55 3ipj h LYS 45 Cb 0.06 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3ipj h LYS 45 CO -0.12 0.46 -0.84 0.87 -1.08 0.00 0.00 179.45 178.74 3ipj h LYS 46 N 0.52 0.53 -0.74 3.15 1.57 -1.72 -3.00 116.57 116.89 3ipj h LYS 46 Ca 0.13 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3ipj h LYS 46 Cb 0.15 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3ipj h LYS 46 CO -0.01 1.12 0.46 0.28 -0.57 0.00 0.00 179.45 180.73 3ipj h VAL 47 N 0.34 1.20 0.00 0.50 2.07 -0.65 -2.92 116.25 116.79 3ipj h VAL 47 Ca -0.06 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3ipj h VAL 47 Cb 1.45 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3ipj h VAL 47 CO 0.15 0.21 -0.16 -0.33 0.02 0.00 0.00 177.57 177.46 3ipj h GLU 48 N 1.00 0.00 0.00 1.57 5.08 -1.01 -1.88 114.58 119.35 3ipj h GLU 48 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3ipj h GLU 48 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3ipj h GLU 48 CO -0.05 0.16 0.00 1.63 -1.00 0.00 0.00 179.01 179.75 3ipj n LYS 49 N -3.84 0.10 -2.05 2.33 5.02 -1.11 -4.70 118.16 113.91 3ipj n LYS 49 Ca -0.02 0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 3ipj n LYS 49 Cb 0.26 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 3ipj n LYS 49 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ipj s VAL 50 N -3.05 2.63 0.04 -0.18 1.01 -0.71 -4.93 120.40 115.21 3ipj s VAL 50 Ca 0.12 0.61 -0.38 0.00 0.00 0.00 0.00 61.98 62.32 3ipj s VAL 50 Cb 0.16 -3.39 -0.19 0.00 0.00 0.00 0.00 36.38 32.96 3ipj s VAL 50 CO 0.53 0.13 1.15 -0.67 0.00 0.00 0.00 175.10 176.24 3ipj n ASP 51 N 1.16 0.53 0.00 3.32 2.03 -1.26 -1.48 116.55 120.85 3ipj n ASP 51 Ca 0.02 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.47 3ipj n ASP 51 Cb 0.41 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 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 1.83 0.00 -2.48 -0.67 -0.58 -1.26 -4.93 120.64 112.55 3ipj n GLU 52 Ca 0.19 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.50 3ipj n GLU 52 Cb 0.12 -2.16 -0.02 0.00 -0.57 0.00 0.00 31.44 28.81 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 -2.95 4.30 0.01 2.62 1.01 -0.55 -4.46 120.40 120.39 3ipj s VAL 53 Ca 0.00 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.54 3ipj s VAL 53 Cb 0.00 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.97 3ipj s VAL 53 CO 0.00 -0.34 0.87 0.11 0.00 0.00 0.00 175.10 175.74 3ipj h LYS 54 N 8.56 0.11 -2.27 2.72 1.57 -0.77 -3.47 116.57 123.03 3ipj h LYS 54 Ca -0.24 -0.19 0.28 0.00 -1.87 0.00 0.00 60.65 58.62 3ipj h LYS 54 Cb 1.09 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 3ipj h LYS 54 CO 1.01 0.90 0.79 0.20 -0.57 0.00 0.00 179.45 181.78 3ipj s GLY 55 N -4.97 -0.04 0.01 3.86 0.00 -1.25 -5.01 107.32 99.92 3ipj s GLY 55 Ca -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 3ipj s GLY 55 CO 0.83 4.44 -0.01 -1.34 0.00 0.00 0.00 173.10 177.02 3ipj s VAL 56 N -2.07 0.09 -0.03 1.40 -7.23 -1.26 -1.43 120.40 109.87 3ipj s VAL 56 Ca 0.27 -0.71 -0.09 0.00 -1.81 0.00 0.00 61.98 59.64 3ipj s VAL 56 Cb -0.01 -0.23 0.01 0.00 0.56 0.00 0.00 36.38 36.71 3ipj s VAL 56 CO 0.01 -0.39 0.19 -0.36 -0.31 0.00 0.00 175.10 174.25 3ipj s PHE 57 N -1.16 -0.08 -0.14 2.82 0.08 -0.50 -5.00 117.98 114.00 3ipj s PHE 57 Ca -0.13 0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.09 3ipj s PHE 57 Cb -0.08 0.02 -0.00 0.00 -0.57 0.00 0.00 43.02 42.39 3ipj s PHE 57 CO -0.01 -0.25 -0.18 0.12 -0.10 0.00 0.00 175.22 174.81 3ipj s PHE 58 N -0.91 2.72 -0.11 0.36 5.36 -1.26 0.42 117.98 124.56 3ipj s PHE 58 Ca -0.10 -1.00 -0.18 0.00 -0.96 0.00 0.00 56.93 54.68 3ipj s PHE 58 Cb -0.05 -1.83 0.04 0.00 -0.34 0.00 0.00 43.02 40.84 3ipj s PHE 58 CO 0.02 -0.43 0.46 -0.08 -1.46 0.00 0.00 175.22 173.73 3ipj s THR 59 N 0.62 0.02 -1.48 0.12 -1.32 -0.44 -4.99 115.64 108.16 3ipj s THR 59 Ca -0.10 -0.14 -0.12 0.00 -1.21 0.00 0.00 61.69 60.13 3ipj s THR 59 Cb -0.16 -0.71 0.06 0.00 -1.51 0.00 0.00 72.50 70.19 3ipj s THR 59 CO 0.03 -0.08 1.00 -1.20 -2.21 0.00 0.00 174.62 172.16 3ipj n SER 60 N 2.05 -4.78 0.00 8.08 7.64 -1.26 -0.53 113.62 124.82 3ipj n SER 60 Ca -0.17 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 58.98 3ipj n SER 60 Cb 0.57 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 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 -1.74 2.84 3.56 0.23 0.00 -1.26 -5.00 105.19 103.83 3ipj n GLY 61 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.05 3.89 -0.42 1.61 -0.21 0.31 -2.86 119.66 121.92 3ipj s GLN 62 Ca 0.00 -0.35 -0.22 0.00 0.02 0.00 0.00 55.36 54.80 3ipj s GLN 62 Cb 0.00 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.44 3ipj s GLN 62 CO 0.00 -0.18 0.74 -0.47 -2.12 0.00 0.00 175.29 173.27 3ipj s TYR 63 N 1.72 3.04 -0.17 0.91 5.04 0.67 -1.33 117.35 127.23 3ipj s TYR 63 Ca 0.07 0.23 -0.04 0.00 -2.44 0.00 0.00 57.07 54.89 3ipj s TYR 63 Cb -0.16 -3.50 -0.02 0.00 0.35 0.00 0.00 41.96 38.63 3ipj s TYR 63 CO 0.09 -0.88 -0.04 -0.65 -1.34 0.00 0.00 175.55 172.74 3ipj s GLN 64 N 3.11 3.61 -0.24 4.97 -0.21 0.17 -1.03 119.66 130.05 3ipj s GLN 64 Ca 0.28 -0.54 -0.02 0.00 0.02 0.00 0.00 55.36 55.10 3ipj s GLN 64 Cb -0.13 -2.93 0.02 0.00 1.00 0.00 0.00 33.01 30.97 3ipj s GLN 64 CO 0.20 0.16 -0.07 0.42 -2.12 0.00 0.00 175.29 173.88 3ipj s ILE 65 N 0.58 2.92 -0.30 1.08 1.09 -0.15 -1.41 121.20 125.01 3ipj s ILE 65 Ca -0.03 -0.90 -0.27 0.00 -1.10 0.00 0.00 60.65 58.35 3ipj s ILE 65 Cb -0.14 -2.43 0.01 0.00 -1.06 0.00 0.00 42.46 38.84 3ipj s ILE 65 CO 0.03 0.28 0.98 -0.63 -0.10 0.00 0.00 174.94 175.49 3ipj s ILE 66 N 1.36 4.62 -0.01 2.92 1.01 -0.51 -1.34 121.20 129.25 3ipj s ILE 66 Ca 0.02 1.60 0.08 0.00 0.00 0.00 0.00 60.65 62.35 3ipj s ILE 66 Cb -0.16 -4.32 -0.12 0.00 0.01 0.00 0.00 42.46 37.88 3ipj s ILE 66 CO -0.05 -0.37 0.16 0.18 0.00 0.00 0.00 174.94 174.86 3ipj n LEU 67 N 6.59 0.00 0.00 2.97 4.77 -0.11 -0.02 117.00 131.19 3ipj n LEU 67 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3ipj n LEU 67 Cb 0.47 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3ipj n LEU 67 CO 0.55 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3ipj n GLY 68 N 2.10 1.06 3.71 -0.72 0.00 -0.51 -4.52 105.19 106.32 3ipj n GLY 68 Ca -0.02 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 3ipj n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ipj n THR 69 N 1.07 4.19 0.00 2.61 -2.24 -1.23 -1.61 114.28 117.07 3ipj n THR 69 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3ipj n THR 69 Cb 0.00 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 3ipj n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ipj n GLY 70 N 0.87 0.73 0.35 3.38 0.00 -1.26 -4.40 105.19 104.86 3ipj n GLY 70 Ca 0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 1.25 -0.94 -0.61 1.08 -1.83 -2.68 117.51 113.78 3ipj h ILE 71 Ca 0.00 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 63.84 3ipj h ILE 71 Cb 0.00 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 33.83 3ipj h ILE 71 CO 0.00 0.29 0.62 1.62 -0.69 0.00 0.00 178.15 179.99 3ipj h VAL 72 N 1.19 1.21 -0.33 1.67 3.04 -1.51 -1.91 116.25 119.61 3ipj h VAL 72 Ca 0.29 -0.43 -0.12 0.00 -1.01 0.00 0.00 66.70 65.44 3ipj h VAL 72 Cb 0.06 -0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.18 3ipj h VAL 72 CO -0.04 0.23 -0.29 0.78 -1.01 0.00 0.00 177.57 177.23 3ipj h ASN 73 N 1.24 0.72 0.04 3.17 2.35 -1.80 -0.47 115.58 120.84 3ipj h ASN 73 Ca 0.36 -0.28 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 3ipj h ASN 73 Cb -0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 3ipj h ASN 73 CO -0.09 0.97 -0.49 0.11 -1.65 0.00 0.00 177.43 176.28 3ipj h LYS 74 N 0.60 0.51 -0.14 0.81 1.57 -1.26 -0.84 116.57 117.82 3ipj h LYS 74 Ca 0.07 -0.30 -0.22 0.00 -1.87 0.00 0.00 60.65 58.33 3ipj h LYS 74 Cb 0.80 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.14 3ipj h LYS 74 CO 0.07 0.89 -0.79 0.28 -0.57 0.00 0.00 179.45 179.32 3ipj h VAL 75 N 0.41 1.29 -0.67 0.50 2.07 -1.27 -3.03 116.25 115.54 3ipj h VAL 75 Ca 0.02 -2.01 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 3ipj h VAL 75 Cb 1.01 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 3ipj h VAL 75 CO 0.09 0.63 0.41 0.22 0.02 0.00 0.00 177.57 178.95 3ipj h TYR 76 N 0.51 0.87 -0.09 1.57 3.20 -0.85 -1.59 116.97 120.58 3ipj h TYR 76 Ca -0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3ipj h TYR 76 Cb 1.42 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 3ipj h TYR 76 CO 0.08 0.58 0.03 0.00 -1.64 0.00 0.00 178.16 177.21 3ipj h ALA 77 N 1.22 1.89 0.05 1.82 0.00 -1.13 0.55 119.26 123.65 3ipj h ALA 77 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ipj h ALA 77 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ipj h ALA 77 CO -0.05 0.10 -0.02 0.93 0.00 0.00 0.00 179.25 180.21 3ipj h GLU 78 N 0.12 -0.06 -0.78 0.00 4.39 -1.30 -3.26 114.58 113.70 3ipj h GLU 78 Ca 0.03 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.81 3ipj h GLU 78 Cb 0.04 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 3ipj h GLU 78 CO -0.00 0.45 0.51 0.28 -1.16 0.00 0.00 179.01 179.09 3ipj h VAL 79 N -0.62 1.00 -0.31 3.13 2.07 -0.63 -2.06 116.25 118.83 3ipj h VAL 79 Ca -0.01 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.34 3ipj h VAL 79 Cb 0.54 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3ipj h VAL 79 CO 0.01 0.14 0.44 -0.33 0.02 0.00 0.00 177.57 177.85 3ipj h GLU 80 N 0.78 0.00 0.00 1.57 5.08 -0.95 -0.24 114.58 120.82 3ipj h GLU 80 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3ipj h GLU 80 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ipj h GLU 80 CO -0.12 0.00 -1.11 1.63 -1.00 0.00 0.00 179.01 178.41 3ipj n LYS 81 N -3.48 0.42 0.10 2.33 5.02 -0.78 -4.20 118.16 117.57 3ipj n LYS 81 Ca 0.05 0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.46 3ipj n LYS 81 Cb 0.58 -1.65 0.46 0.00 -0.02 0.00 0.00 35.03 34.39 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 -2.19 0.16 -0.18 1.97 2.81 -0.10 -4.88 117.12 114.71 3ipj n MET 82 Ca 0.01 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 3ipj n MET 82 Cb 0.48 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 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 0.11 1.00 3.66 3.03 0.00 -1.25 -5.05 105.19 106.68 3ipj n GLY 83 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.09 -0.70 0.99 1.02 -1.26 -4.86 118.68 115.96 3ipj s LEU 84 Ca 0.00 1.67 -0.26 0.00 0.02 0.00 0.00 54.13 55.56 3ipj s LEU 84 Cb 0.00 -3.98 -0.04 0.00 0.02 0.00 0.00 46.19 42.19 3ipj s LEU 84 CO 0.00 -3.09 1.97 -0.75 0.02 0.00 0.00 176.35 174.50 3ipj s LYS 85 N -4.75 2.49 -0.03 1.70 2.20 -1.26 -4.97 119.74 115.12 3ipj s LYS 85 Ca 0.65 0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 56.64 3ipj s LYS 85 Cb -0.21 -4.63 -0.04 0.00 -1.51 0.00 0.00 37.83 31.44 3ipj s LYS 85 CO 0.59 -3.08 0.17 0.95 -0.36 0.00 0.00 175.35 173.61 3ipj s THR 86 N 10.03 5.40 -0.02 3.43 -4.23 -1.26 -0.74 115.64 128.25 3ipj s THR 86 Ca 0.73 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 3ipj s THR 86 Cb -0.11 -3.49 -0.02 0.00 1.34 0.00 0.00 72.50 70.22 3ipj s THR 86 CO 0.14 0.38 -0.01 0.18 -0.54 0.00 0.00 174.62 174.76 3ipj n LEU 87 N 1.14 2.28 -0.12 4.79 4.77 0.84 -4.68 117.00 126.03 3ipj n LEU 87 Ca -0.13 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.82 3ipj n LEU 87 Cb 0.53 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3ipj n LEU 87 CO 0.41 0.42 0.19 -0.24 -1.33 0.00 0.00 177.39 176.84 3ipj n SER 88 N -2.45 -0.29 -4.57 -1.43 2.88 -1.26 -2.60 113.62 103.90 3ipj n SER 88 Ca -0.04 0.61 -0.18 0.00 -1.33 0.00 0.00 58.87 57.93 3ipj n SER 88 Cb 0.55 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.79 3ipj n SER 88 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3ipj s LYS 89 N -4.54 1.60 0.56 -1.46 2.20 -1.26 -4.92 119.74 111.93 3ipj s LYS 89 Ca -0.03 -0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.03 3ipj s LYS 89 Cb 0.03 -4.99 -0.05 0.00 -1.51 0.00 0.00 37.83 31.31 3ipj s LYS 89 CO 0.17 -4.85 1.16 1.63 -0.36 0.00 0.00 175.35 173.11 3ipj n LYS 90 N 8.39 1.28 -3.03 4.03 4.76 -1.07 -4.95 118.16 127.58 3ipj n LYS 90 Ca 0.43 0.48 -0.34 0.00 -2.87 0.00 0.00 58.31 56.01 3ipj n LYS 90 Cb 0.46 -2.35 -0.06 0.00 -1.84 0.00 0.00 35.03 31.23 3ipj n LYS 90 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3ipj s GLU 91 N -2.79 4.21 -0.24 1.97 2.12 -1.26 -4.94 118.70 117.76 3ipj s GLU 91 Ca 0.73 0.90 -0.30 0.00 0.36 0.00 0.00 54.97 56.67 3ipj s GLU 91 Cb -0.43 -2.60 -0.13 0.00 0.26 0.00 0.00 34.13 31.23 3ipj s GLU 91 CO 0.48 0.23 0.96 0.94 -0.54 0.00 0.00 175.26 177.33 3ipj n GLN 92 N 0.10 0.00 -2.08 4.30 7.27 -1.26 -4.91 117.38 120.81 3ipj n GLN 92 Ca 0.02 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.67 3ipj n GLN 92 Cb 0.52 -0.99 -0.03 0.00 2.41 0.00 0.00 30.24 32.15 3ipj n GLN 92 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3ipj s ASP 93 N 1.45 6.73 0.22 1.69 1.01 -1.26 -5.05 116.67 121.46 3ipj s ASP 93 Ca 0.67 2.54 -0.15 0.00 0.71 0.00 0.00 52.55 56.32 3ipj s ASP 93 Cb -0.95 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 40.29 3ipj s ASP 93 CO 0.50 -0.66 0.63 -1.61 0.21 0.00 0.00 175.17 174.24 3ipj s GLU 94 N 0.11 4.01 0.00 8.23 0.41 -1.26 -5.33 118.70 124.87 3ipj s GLU 94 Ca 0.61 0.57 0.13 0.00 -0.41 0.00 0.00 54.97 55.87 3ipj s GLU 94 Cb -0.40 -2.74 0.78 0.00 -1.78 0.00 0.00 34.13 29.99 3ipj s GLU 94 CO 0.38 0.35 1.21 1.28 -0.49 0.00 0.00 175.26 177.99