#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjj s LYS 2 N 0.00 4.27 -0.13 1.43 -0.14 -1.26 -2.95 119.74 120.96 1yjj s LYS 2 Ca 0.00 0.94 0.03 0.00 -1.36 0.00 0.00 55.97 55.58 1yjj s LYS 2 Cb 0.00 -3.58 0.01 0.00 -1.68 0.00 0.00 37.83 32.57 1yjj s LYS 2 CO 0.00 -0.34 -0.22 0.08 -0.76 0.00 0.00 175.35 174.11 1yjj s VAL 3 N 2.20 2.03 -0.13 3.17 1.01 -0.18 -0.47 120.40 128.03 1yjj s VAL 3 Ca 0.36 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1yjj s VAL 3 Cb -0.16 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1yjj s VAL 3 CO 0.11 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.96 1yjj s VAL 4 N 0.75 3.20 -0.23 2.92 1.01 -0.59 -0.46 120.40 126.99 1yjj s VAL 4 Ca -0.09 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1yjj s VAL 4 Cb -0.16 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1yjj s VAL 4 CO -0.00 0.52 0.02 -0.31 0.00 0.00 0.00 175.10 175.32 1yjj s TYR 5 N 0.35 3.03 -0.36 5.22 2.02 0.29 -0.32 117.35 127.58 1yjj s TYR 5 Ca -0.10 -0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 55.84 1yjj s TYR 5 Cb -0.16 -2.17 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 1yjj s TYR 5 CO 0.05 -0.43 0.23 0.08 -1.57 0.00 0.00 175.55 173.91 1yjj s VAL 6 N 1.49 4.95 1.19 0.71 1.01 0.17 -0.98 120.40 128.94 1yjj s VAL 6 Ca 0.06 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1yjj s VAL 6 Cb -0.15 -3.65 0.29 0.00 0.00 0.00 0.00 36.38 32.87 1yjj s VAL 6 CO 0.00 -0.13 1.17 -0.94 0.00 0.00 0.00 175.10 175.21 1yjj s SER 7 N 1.64 1.10 0.02 3.32 1.04 -0.36 -0.73 113.70 119.74 1yjj s SER 7 Ca 0.04 0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.73 1yjj s SER 7 Cb -0.18 -0.53 -0.26 0.00 0.10 0.00 0.00 66.02 65.14 1yjj s SER 7 CO 0.08 -3.99 1.08 1.12 0.98 0.00 0.00 173.24 172.51 1yjj h HIS 8 N -2.50 0.79 0.00 5.02 2.07 -1.81 -3.07 115.15 115.65 1yjj h HIS 8 Ca -0.43 -0.47 0.00 0.00 -2.85 0.00 0.00 60.37 56.62 1yjj h HIS 8 Cb 1.27 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1yjj h HIS 8 CO -2.38 1.31 0.00 -0.40 -3.07 0.00 0.00 177.93 173.39 1yjj n ASP 9 N -4.02 0.00 0.00 3.10 5.68 -1.26 -4.81 116.55 115.23 1yjj n ASP 9 Ca -0.12 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1yjj n ASP 9 Cb 0.82 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1yjj n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yjj n GLY 10 N -0.18 0.96 3.71 6.12 0.00 -1.16 -5.05 105.19 109.58 1yjj n GLY 10 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1yjj n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yjj s THR 11 N -2.26 3.32 -0.17 2.61 -1.32 -1.26 -4.67 115.64 111.89 1yjj s THR 11 Ca 0.00 0.92 -0.09 0.00 -1.21 0.00 0.00 61.69 61.31 1yjj s THR 11 Cb 0.00 -3.59 -0.05 0.00 -1.51 0.00 0.00 72.50 67.35 1yjj s THR 11 CO 0.00 0.06 0.12 -0.13 -2.21 0.00 0.00 174.62 172.46 1yjj s ARG 12 N 1.34 3.91 -0.17 7.08 0.52 -1.26 -1.22 118.95 129.15 1yjj s ARG 12 Ca 0.65 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.66 1yjj s ARG 12 Cb -0.36 -3.32 0.03 0.00 0.52 0.00 0.00 34.95 31.82 1yjj s ARG 12 CO 0.30 0.46 -0.13 0.50 0.02 0.00 0.00 175.30 176.44 1yjj s ARG 13 N -0.10 2.27 -0.17 3.54 6.06 -0.15 -4.96 118.95 125.45 1yjj s ARG 13 Ca 0.10 -0.68 -0.05 0.00 -2.50 0.00 0.00 55.73 52.59 1yjj s ARG 13 Cb -0.11 -2.25 -0.03 0.00 0.06 0.00 0.00 34.95 32.61 1yjj s ARG 13 CO 0.00 -0.30 0.01 -1.21 -2.50 0.00 0.00 175.30 171.30 1yjj s GLU 14 N 1.44 3.80 0.38 5.12 2.02 -1.26 -0.55 118.70 129.64 1yjj s GLU 14 Ca 0.03 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.63 1yjj s GLU 14 Cb -0.14 -3.06 -0.07 0.00 0.10 0.00 0.00 34.13 30.95 1yjj s GLU 14 CO -0.10 0.23 0.02 -0.51 0.02 0.00 0.00 175.26 174.92 1yjj s LEU 15 N 0.44 2.65 -0.32 1.80 1.43 0.39 -4.94 118.68 120.13 1yjj s LEU 15 Ca -0.00 -1.37 -0.10 0.00 -1.03 0.00 0.00 54.13 51.63 1yjj s LEU 15 Cb -0.13 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.35 1yjj s LEU 15 CO 0.02 -0.50 0.15 -0.62 0.23 0.00 0.00 176.35 175.63 1yjj s ASP 16 N -3.63 5.54 -0.23 2.29 -1.08 -1.26 -1.01 116.67 117.28 1yjj s ASP 16 Ca 0.35 -0.60 -0.06 0.00 -0.52 0.00 0.00 52.55 51.72 1yjj s ASP 16 Cb 0.09 -1.99 -0.02 0.00 -1.46 0.00 0.00 42.92 39.54 1yjj s ASP 16 CO 0.17 -0.22 0.02 -0.69 0.52 0.00 0.00 175.17 174.97 1yjj s VAL 17 N 1.60 3.89 0.78 1.11 1.01 -1.15 -4.87 120.40 122.77 1yjj s VAL 17 Ca 0.04 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1yjj s VAL 17 Cb -0.17 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.47 1yjj s VAL 17 CO 0.06 0.38 1.11 0.00 0.00 0.00 0.00 175.10 176.66 1yjj s ALA 18 N 1.49 2.12 0.34 5.51 0.00 -1.26 -2.76 121.76 127.20 1yjj s ALA 18 Ca 0.06 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 1yjj s ALA 18 Cb -0.15 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 1yjj s ALA 18 CO 0.01 -1.90 1.39 -0.40 0.00 0.00 0.00 175.76 174.85 1yjj n ASP 19 N -3.44 3.17 0.00 0.00 5.75 -1.26 -1.52 116.55 119.25 1yjj n ASP 19 Ca 0.10 1.20 0.00 0.00 -0.01 0.00 0.00 54.79 56.08 1yjj n ASP 19 Cb 0.52 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.08 1yjj n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yjj n GLY 20 N 0.92 0.84 3.87 6.12 0.00 -1.04 -4.98 105.19 110.93 1yjj n GLY 20 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1yjj n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yjj s VAL 21 N -3.46 4.94 0.06 1.61 1.01 -0.57 -4.88 120.40 119.11 1yjj s VAL 21 Ca 0.00 0.47 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1yjj s VAL 21 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1yjj s VAL 21 CO 0.00 -0.06 0.65 -0.94 0.00 0.00 0.00 175.10 174.75 1yjj s SER 22 N -2.35 7.13 0.35 3.32 1.04 -1.26 -2.32 113.70 119.61 1yjj s SER 22 Ca 0.47 1.35 0.15 0.00 0.48 0.00 0.00 55.95 58.39 1yjj s SER 22 Cb -0.11 -2.41 1.04 0.00 0.10 0.00 0.00 66.02 64.64 1yjj s SER 22 CO 0.21 0.17 1.70 -0.07 0.98 0.00 0.00 173.24 176.23 1yjj h LEU 23 N 5.01 0.54 -0.67 2.42 -0.00 -1.45 0.71 115.31 121.87 1yjj h LEU 23 Ca -0.47 0.15 -0.05 0.00 -0.00 0.00 0.00 57.88 57.51 1yjj h LEU 23 Cb 1.21 0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.91 1yjj h LEU 23 CO 0.67 -0.01 0.21 -0.03 -0.00 0.00 0.00 178.44 179.28 1yjj h MET 24 N 0.42 1.05 0.30 1.13 4.05 -1.77 -1.23 114.93 118.88 1yjj h MET 24 Ca 0.68 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.88 1yjj h MET 24 Cb 1.55 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 32.17 1yjj h MET 24 CO -0.49 0.91 -0.36 1.96 0.23 0.00 0.00 176.91 179.16 1yjj h GLN 25 N 0.98 -0.68 0.00 0.39 4.20 0.13 -1.22 115.11 118.90 1yjj h GLN 25 Ca 0.22 0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 1yjj h GLN 25 Cb 0.30 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1yjj h GLN 25 CO -0.01 -0.45 -0.20 0.00 -0.67 0.00 0.00 178.83 177.50 1yjj h ALA 26 N -0.22 1.31 -0.23 3.87 0.00 -1.44 -2.95 119.26 119.59 1yjj h ALA 26 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1yjj h ALA 26 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1yjj h ALA 26 CO -0.10 0.25 -0.02 0.00 0.00 0.00 0.00 179.25 179.38 1yjj h ALA 27 N 1.80 0.32 0.00 0.00 0.00 -0.34 -1.95 119.26 119.09 1yjj h ALA 27 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1yjj h ALA 27 Cb 0.46 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1yjj h ALA 27 CO 0.03 0.07 -0.05 0.28 0.00 0.00 0.00 179.25 179.57 1yjj h VAL 28 N 0.18 0.17 0.00 0.00 2.07 -1.10 0.10 116.25 117.67 1yjj h VAL 28 Ca 0.06 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1yjj h VAL 28 Cb 0.45 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1yjj h VAL 28 CO 0.02 0.05 -0.49 -1.28 0.02 0.00 0.00 177.57 175.88 1yjj h SER 29 N 0.00 0.00 -0.46 0.57 0.87 -1.31 -3.17 113.55 110.05 1yjj h SER 29 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1yjj h SER 29 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1yjj h SER 29 CO 0.01 0.02 0.00 0.59 -0.53 0.00 0.00 176.83 176.91 1yjj n ASN 30 N -2.71 4.87 -3.50 6.23 3.02 -0.70 -4.94 115.26 117.53 1yjj n ASN 30 Ca 0.02 -2.90 -0.20 0.00 -0.03 0.00 0.00 54.58 51.48 1yjj n ASN 30 Cb 0.52 -0.61 0.09 0.00 -0.61 0.00 0.00 39.78 39.16 1yjj n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yjj n GLY 31 N 0.23 -0.43 0.09 7.41 0.00 -1.00 -4.92 105.19 106.58 1yjj n GLY 31 Ca 0.25 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1yjj n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yjj n ILE 32 N -4.48 0.00 0.71 -0.61 5.41 0.26 -4.76 119.36 115.89 1yjj n ILE 32 Ca -0.17 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.70 1yjj n ILE 32 Cb 0.63 -0.58 0.15 0.00 -0.71 0.00 0.00 39.64 39.13 1yjj n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1yjj n TYR 33 N -2.52 0.20 0.15 1.39 4.02 -1.17 -4.58 117.16 114.65 1yjj n TYR 33 Ca 0.00 -0.10 -0.07 0.00 -0.01 0.00 0.00 57.90 57.72 1yjj n TYR 33 Cb 0.49 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.77 1yjj n TYR 33 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1yjj h ASP 34 N 4.61 -0.37 -0.35 7.72 2.03 -1.86 -3.26 116.42 124.94 1yjj h ASP 34 Ca 0.00 0.01 0.13 0.00 -0.73 0.00 0.00 57.03 56.44 1yjj h ASP 34 Cb 0.99 0.09 -0.05 0.00 -0.83 0.00 0.00 39.33 39.54 1yjj h ASP 34 CO 0.00 -0.09 0.21 0.00 -1.03 0.00 0.00 179.24 178.33 1yjj n ILE 35 N -4.15 -0.10 -3.71 4.15 3.06 -1.26 -3.46 119.36 113.89 1yjj n ILE 35 Ca -0.05 0.57 -0.21 0.00 -2.50 0.00 0.00 62.75 60.56 1yjj n ILE 35 Cb 0.17 -0.93 -0.18 0.00 0.54 0.00 0.00 39.64 39.24 1yjj n ILE 35 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1yjj s VAL 36 N -4.29 0.07 -0.29 9.51 1.01 -1.23 -5.10 120.40 120.08 1yjj s VAL 36 Ca -0.02 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1yjj s VAL 36 Cb 0.10 -0.30 0.16 0.00 0.00 0.00 0.00 36.38 36.34 1yjj s VAL 36 CO 0.24 0.20 0.42 -0.83 0.00 0.00 0.00 175.10 175.12 1yjj s GLY 37 N 2.10 -0.59 0.00 4.51 0.00 -1.22 -4.86 107.32 107.25 1yjj s GLY 37 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1yjj s GLY 37 CO -0.04 3.04 0.15 1.22 0.00 0.00 0.00 173.10 177.48 1yjj n ASP 38 N 5.36 0.00 -0.20 1.64 8.00 -1.26 -4.33 116.55 125.76 1yjj n ASP 38 Ca 0.00 0.32 0.14 0.00 0.71 0.00 0.00 54.79 55.97 1yjj n ASP 38 Cb 0.50 -0.22 0.55 0.00 -0.02 0.00 0.00 41.12 41.93 1yjj n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yjj n GLY 40 N 1.26 0.52 0.59 0.00 0.00 -1.26 -2.72 105.19 103.58 1yjj n GLY 40 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1yjj n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yjj n GLY 41 N -1.56 1.12 1.19 -0.02 0.00 -1.26 -4.96 105.19 99.70 1yjj n GLY 41 Ca -0.03 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1yjj n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yjj n SER 42 N 0.59 3.32 -3.56 1.61 2.88 -1.10 -4.89 113.62 112.46 1yjj n SER 42 Ca 0.00 -2.46 -0.26 0.00 -1.33 0.00 0.00 58.87 54.82 1yjj n SER 42 Cb 0.06 -0.59 0.05 0.00 -0.75 0.00 0.00 64.21 62.98 1yjj n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yjj n ALA 43 N 0.29 -2.47 -2.17 -1.46 0.00 -1.26 -4.91 120.51 108.54 1yjj n ALA 43 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1yjj n ALA 43 Cb 0.72 -4.34 -0.02 0.00 0.00 0.00 0.00 19.45 15.82 1yjj n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yjj n SER 44 N -2.88 -0.00 -0.61 0.00 2.88 -1.26 -5.08 113.62 106.66 1yjj n SER 44 Ca -0.11 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1yjj n SER 44 Cb 0.61 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1yjj n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yjj n ALA 46 N -3.00 1.49 0.33 0.00 0.00 -1.26 -4.74 120.51 113.32 1yjj n ALA 46 Ca 0.00 -0.51 0.15 0.00 0.00 0.00 0.00 53.44 53.08 1yjj n ALA 46 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 1yjj n ALA 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1yjj h THR 47 N 0.82 0.00 -0.73 0.00 2.02 -1.83 0.65 112.91 113.85 1yjj h THR 47 Ca 0.00 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.74 1yjj h THR 47 Cb 0.44 0.64 -0.22 0.00 -1.74 0.00 0.00 68.15 67.28 1yjj h THR 47 CO 0.00 0.00 0.56 0.00 0.37 0.00 0.00 175.52 176.45 1yjj s HIS 49 N -2.59 2.43 0.24 0.00 5.04 0.22 -2.04 115.29 118.58 1yjj s HIS 49 Ca 0.44 0.59 -0.01 0.00 -1.54 0.00 0.00 55.06 54.55 1yjj s HIS 49 Cb 0.36 -4.37 -0.03 0.00 0.04 0.00 0.00 32.58 28.57 1yjj s HIS 49 CO 0.03 -1.85 0.22 0.14 -2.34 0.00 0.00 174.74 170.94 1yjj s VAL 50 N 5.51 0.00 -0.23 0.89 -7.23 -1.20 -4.26 120.40 113.87 1yjj s VAL 50 Ca 0.55 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1yjj s VAL 50 Cb -0.11 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.39 1yjj s VAL 50 CO 0.29 0.00 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.66 1yjj s TYR 51 N -3.96 3.06 -0.09 2.82 2.02 0.67 -3.06 117.35 118.82 1yjj s TYR 51 Ca 0.37 -1.87 -0.17 0.00 -0.37 0.00 0.00 57.07 55.03 1yjj s TYR 51 Cb 0.05 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1yjj s TYR 51 CO 0.15 -0.81 0.45 0.08 -1.57 0.00 0.00 175.55 173.85 1yjj s VAL 52 N 1.23 5.14 -0.25 0.71 1.01 -1.26 0.26 120.40 127.24 1yjj s VAL 52 Ca -0.02 0.91 -0.37 0.00 0.00 0.00 0.00 61.98 62.50 1yjj s VAL 52 Cb -0.17 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 1yjj s VAL 52 CO -0.07 0.40 1.91 -3.20 0.00 0.00 0.00 175.10 174.14 1yjj n ASN 53 N 3.16 2.61 0.00 3.32 5.15 -0.21 -4.67 115.26 124.62 1yjj n ASN 53 Ca -0.09 0.86 0.00 0.00 -0.60 0.00 0.00 54.58 54.75 1yjj n ASN 53 Cb 0.52 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1yjj n ASN 53 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1yjj n GLU 54 N 6.56 0.00 0.04 1.20 -0.00 -1.26 -0.72 120.64 126.45 1yjj n GLU 54 Ca 0.30 0.03 0.12 0.00 -0.00 0.00 0.00 57.16 57.61 1yjj n GLU 54 Cb 0.20 -1.54 0.27 0.00 -0.00 0.00 0.00 31.44 30.36 1yjj n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1yjj n ALA 55 N -0.77 2.98 0.12 -1.84 0.00 -1.26 -3.90 120.51 115.83 1yjj n ALA 55 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.21 1yjj n ALA 55 Cb 0.04 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1yjj n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1yjj n PHE 56 N -1.88 0.00 -0.08 0.00 3.01 0.10 -4.57 117.46 114.03 1yjj n PHE 56 Ca 0.05 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 1yjj n PHE 56 Cb 0.40 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.85 1yjj n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1yjj h THR 57 N 0.06 1.28 -0.01 4.37 1.35 -1.67 0.94 112.91 119.24 1yjj h THR 57 Ca 0.00 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1yjj h THR 57 Cb 0.07 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1yjj h THR 57 CO 0.00 0.55 -0.01 -0.90 -0.25 0.00 0.00 175.52 174.91 1yjj n ASP 58 N -4.02 0.83 -0.14 5.36 5.75 -1.26 -3.76 116.55 119.31 1yjj n ASP 58 Ca -0.03 -1.24 -0.28 0.00 -0.01 0.00 0.00 54.79 53.22 1yjj n ASP 58 Cb 0.60 -0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.58 1yjj n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yjj n LYS 59 N -0.37 0.58 -2.36 0.11 4.76 -1.03 -4.96 118.16 114.89 1yjj n LYS 59 Ca 0.21 0.24 -0.32 0.00 -2.87 0.00 0.00 58.31 55.57 1yjj n LYS 59 Cb 0.25 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 1yjj n LYS 59 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1yjj s VAL 60 N -2.50 4.31 -0.31 -0.18 1.01 0.30 -4.91 120.40 118.11 1yjj s VAL 60 Ca -0.38 1.15 -0.39 0.00 0.00 0.00 0.00 61.98 62.36 1yjj s VAL 60 Cb 0.14 -3.61 -0.15 0.00 0.00 0.00 0.00 36.38 32.76 1yjj s VAL 60 CO 0.49 -0.59 1.90 -0.81 0.00 0.00 0.00 175.10 176.10 1yjj n PRO 61 N -1.56 1.06 -1.49 2.72 -0.04 -1.26 -4.84 135.00 129.59 1yjj n PRO 61 Ca 0.07 0.36 -0.39 0.00 -0.04 0.00 0.00 63.50 63.51 1yjj n PRO 61 Cb 0.54 -2.16 0.03 0.00 -0.04 0.00 0.00 33.50 31.87 1yjj n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yjj n ALA 62 N 6.80 -1.00 -1.89 0.55 0.00 -1.26 -4.87 120.51 118.84 1yjj n ALA 62 Ca 0.33 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 1yjj n ALA 62 Cb 0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 1yjj n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yjj s ALA 63 N -1.65 3.59 0.84 0.00 0.00 -1.26 -5.00 121.76 118.28 1yjj s ALA 63 Ca 0.68 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.80 1yjj s ALA 63 Cb -0.47 -3.53 0.09 0.00 0.00 0.00 0.00 23.12 19.22 1yjj s ALA 63 CO 0.54 -0.69 1.11 0.54 0.00 0.00 0.00 175.76 177.26 1yjj s ASN 64 N 0.23 4.13 0.42 0.00 4.22 -1.26 -4.87 114.94 117.81 1yjj s ASN 64 Ca 0.57 1.18 0.28 0.00 -2.14 0.00 0.00 52.86 52.76 1yjj s ASN 64 Cb -0.41 -1.86 1.50 0.00 1.28 0.00 0.00 41.25 41.76 1yjj s ASN 64 CO 0.44 -2.18 1.87 1.05 -2.04 0.00 0.00 177.10 176.23 1yjj h GLU 65 N -1.24 0.00 0.01 3.55 4.11 -2.00 -1.40 114.58 117.61 1yjj h GLU 65 Ca -0.48 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.72 1yjj h GLU 65 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1yjj h GLU 65 CO 0.60 0.00 -0.95 0.00 0.07 0.00 0.00 179.01 178.74 1yjj h ARG 66 N 0.00 0.36 -0.39 1.06 3.08 -2.01 -3.19 114.38 113.29 1yjj h ARG 66 Ca 0.00 -0.40 -0.16 0.00 0.07 0.00 0.00 59.98 59.50 1yjj h ARG 66 Cb 0.05 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1yjj h ARG 66 CO 0.00 1.08 -0.38 0.93 -1.07 0.00 0.00 179.97 180.53 1yjj h GLU 67 N 0.19 0.94 -0.46 0.04 5.08 -1.61 -2.69 114.58 116.07 1yjj h GLU 67 Ca -0.08 -0.49 0.10 0.00 -1.00 0.00 0.00 59.36 57.90 1yjj h GLU 67 Cb 1.59 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1yjj h GLU 67 CO 0.16 1.14 0.32 0.82 -1.00 0.00 0.00 179.01 180.45 1yjj h ILE 68 N 0.77 0.84 0.06 3.13 2.04 -1.53 0.84 117.51 123.65 1yjj h ILE 68 Ca 0.06 -0.05 -0.24 0.00 1.00 0.00 0.00 64.86 65.64 1yjj h ILE 68 Cb 0.97 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1yjj h ILE 68 CO 0.09 0.03 -1.06 1.23 0.00 0.00 0.00 178.15 178.44 1yjj h GLY 69 N 0.15 0.23 1.70 5.37 0.00 -1.47 -2.89 103.07 106.16 1yjj h GLY 69 Ca 0.21 -0.52 -0.25 0.00 0.00 0.00 0.00 47.33 46.78 1yjj h GLY 69 CO -0.03 0.45 -1.20 -0.33 0.00 0.00 0.00 176.54 175.43 1yjj h MET 70 N 0.08 0.12 0.00 4.80 2.86 -0.82 -3.19 114.93 118.79 1yjj h MET 70 Ca -0.08 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 1yjj h MET 70 Cb 1.77 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.50 1yjj h MET 70 CO 0.17 1.05 -0.13 -0.07 1.06 0.00 0.00 176.91 178.99 1yjj h LEU 71 N 0.03 0.00 0.00 1.22 3.38 0.59 0.36 115.31 120.90 1yjj h LEU 71 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1yjj h LEU 71 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1yjj h LEU 71 CO 0.16 0.13 0.00 1.21 0.09 0.00 0.00 178.44 180.03 1yjj n GLU 72 N -4.35 0.48 -0.47 1.13 4.07 -1.09 -2.84 120.64 117.56 1yjj n GLU 72 Ca -0.03 0.03 0.08 0.00 -0.06 0.00 0.00 57.16 57.19 1yjj n GLU 72 Cb 0.20 -1.50 0.29 0.00 -0.06 0.00 0.00 31.44 30.37 1yjj n GLU 72 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1yjj s VAL 74 N -1.84 3.55 -0.02 0.00 -7.23 -1.13 -4.83 120.40 108.89 1yjj s VAL 74 Ca 0.42 0.50 0.10 0.00 -1.81 0.00 0.00 61.98 61.20 1yjj s VAL 74 Cb 0.28 -3.41 -0.23 0.00 0.56 0.00 0.00 36.38 33.58 1yjj s VAL 74 CO 0.19 -0.66 0.74 0.71 -0.31 0.00 0.00 175.10 175.78 1yjj h THR 75 N -0.74 0.97 -5.43 5.32 1.35 -1.83 -3.48 112.91 109.07 1yjj h THR 75 Ca -0.45 -2.79 -0.37 0.00 -0.55 0.00 0.00 66.41 62.24 1yjj h THR 75 Cb 1.25 2.49 0.05 0.00 -1.73 0.00 0.00 68.15 70.21 1yjj h THR 75 CO 0.62 0.58 0.04 0.00 -0.25 0.00 0.00 175.52 176.51 1yjj n ALA 76 N -2.55 0.45 -2.12 6.62 0.00 -1.25 -5.02 120.51 116.63 1yjj n ALA 76 Ca -0.15 -1.60 -0.42 0.00 0.00 0.00 0.00 53.44 51.27 1yjj n ALA 76 Cb 1.04 0.33 -0.03 0.00 0.00 0.00 0.00 19.45 20.79 1yjj n ALA 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1yjj s GLU 77 N -4.39 4.23 0.51 0.00 2.12 -1.26 -4.99 118.70 114.93 1yjj s GLU 77 Ca 0.51 2.07 -0.18 0.00 0.36 0.00 0.00 54.97 57.73 1yjj s GLU 77 Cb -0.03 -3.71 -0.07 0.00 0.26 0.00 0.00 34.13 30.57 1yjj s GLU 77 CO 0.33 -0.69 1.02 -1.17 -0.54 0.00 0.00 175.26 174.21 1yjj s LEU 78 N 2.99 3.71 0.22 2.70 2.96 -1.26 -5.05 118.68 124.95 1yjj s LEU 78 Ca 0.68 1.77 0.09 0.00 -0.22 0.00 0.00 54.13 56.44 1yjj s LEU 78 Cb -0.33 -4.54 -0.04 0.00 0.50 0.00 0.00 46.19 41.79 1yjj s LEU 78 CO 0.27 -0.77 -0.01 -0.54 -1.32 0.00 0.00 176.35 173.99 1yjj s LYS 79 N -3.67 2.31 0.46 1.98 -0.14 -1.26 -4.99 119.74 114.44 1yjj s LYS 79 Ca 0.63 -1.28 0.11 0.00 -1.36 0.00 0.00 55.97 54.08 1yjj s LYS 79 Cb -0.13 -2.24 1.06 0.00 -1.68 0.00 0.00 37.83 34.84 1yjj s LYS 79 CO 0.26 0.41 2.10 -1.00 -0.76 0.00 0.00 175.35 176.36 1yjj h PRO 80 N 2.30 0.28 -0.43 -1.68 0.13 -2.03 -1.55 132.00 129.02 1yjj h PRO 80 Ca -0.46 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1yjj h PRO 80 Cb 1.23 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 1yjj h PRO 80 CO 0.59 0.18 0.06 0.27 -0.23 0.00 0.00 178.00 178.87 1yjj n ASN 81 N -4.51 3.94 -4.76 1.44 0.23 -1.26 -5.02 115.26 105.33 1yjj n ASN 81 Ca 0.00 -3.23 -0.37 0.00 -0.53 0.00 0.00 54.58 50.45 1yjj n ASN 81 Cb 0.08 -0.63 0.02 0.00 -2.08 0.00 0.00 39.78 37.17 1yjj n ASN 81 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1yjj s SER 82 N -1.76 5.60 0.34 0.53 0.15 -0.59 -4.32 113.70 113.65 1yjj s SER 82 Ca 0.47 2.47 0.06 0.00 0.70 0.00 0.00 55.95 59.66 1yjj s SER 82 Cb 0.39 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 1yjj s SER 82 CO 0.09 -1.32 0.25 -0.13 1.20 0.00 0.00 173.24 173.32 1yjj s ARG 83 N -2.96 1.78 -0.25 5.44 1.81 -1.17 -4.96 118.95 118.64 1yjj s ARG 83 Ca 0.70 -2.04 -0.02 0.00 -1.72 0.00 0.00 55.73 52.65 1yjj s ARG 83 Cb -0.33 0.15 0.03 0.00 -0.45 0.00 0.00 34.95 34.35 1yjj s ARG 83 CO 0.38 -0.62 -0.05 -0.51 -0.68 0.00 0.00 175.30 173.83 1yjj s LEU 84 N -3.41 3.27 0.47 2.53 1.43 -1.26 -3.28 118.68 118.44 1yjj s LEU 84 Ca 0.37 -0.89 0.25 0.00 -1.03 0.00 0.00 54.13 52.84 1yjj s LEU 84 Cb 0.02 -1.68 1.29 0.00 0.03 0.00 0.00 46.19 45.86 1yjj s LEU 84 CO 0.25 -0.14 1.85 0.00 0.23 0.00 0.00 176.35 178.54 1yjj n GLN 87 N 0.08 0.10 -4.44 0.00 6.02 -0.30 -4.86 117.38 113.98 1yjj n GLN 87 Ca 0.06 -0.97 -0.34 0.00 -0.01 0.00 0.00 57.00 55.74 1yjj n GLN 87 Cb 0.34 -0.55 -0.14 0.00 1.02 0.00 0.00 30.24 30.91 1yjj n GLN 87 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1yjj s ILE 88 N -0.15 3.24 -0.29 5.09 1.01 -1.24 -4.97 121.20 123.89 1yjj s ILE 88 Ca 0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 1yjj s ILE 88 Cb 0.01 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1yjj s ILE 88 CO 0.00 0.49 0.24 -0.63 0.00 0.00 0.00 174.94 175.04 1yjj s ILE 89 N 0.71 5.27 0.65 2.92 1.09 -1.26 -2.18 121.20 128.40 1yjj s ILE 89 Ca -0.04 0.21 -0.11 0.00 -1.10 0.00 0.00 60.65 59.60 1yjj s ILE 89 Cb -0.15 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.63 1yjj s ILE 89 CO 0.02 0.19 1.04 -0.32 -0.10 0.00 0.00 174.94 175.77 1yjj s MET 90 N 1.83 3.35 -0.03 2.79 1.75 -0.98 -4.81 119.30 123.20 1yjj s MET 90 Ca 0.09 0.83 -0.16 0.00 -1.25 0.00 0.00 55.69 55.19 1yjj s MET 90 Cb -0.16 -2.05 0.03 0.00 2.84 0.00 0.00 34.83 35.49 1yjj s MET 90 CO 0.11 -0.77 0.35 0.95 -0.65 0.00 0.00 175.02 175.00 1yjj s THR 91 N -3.13 0.05 0.21 10.11 -4.23 -1.26 -2.49 115.64 114.90 1yjj s THR 91 Ca 0.56 -0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 60.59 1yjj s THR 91 Cb -0.12 -0.64 0.15 0.00 1.34 0.00 0.00 72.50 73.23 1yjj s THR 91 CO 0.54 -0.22 1.82 1.55 -0.54 0.00 0.00 174.62 177.78 1yjj h PRO 92 N 3.91 0.73 -0.88 3.99 0.13 -1.94 -1.61 132.00 136.33 1yjj h PRO 92 Ca -0.29 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 64.88 1yjj h PRO 92 Cb 1.17 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 1yjj h PRO 92 CO 0.39 0.49 0.57 1.05 -0.23 0.00 0.00 178.00 180.26 1yjj h GLU 93 N 0.76 0.87 -0.85 0.86 4.11 -2.02 0.87 114.58 119.19 1yjj h GLU 93 Ca 0.31 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.66 1yjj h GLU 93 Cb 0.16 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1yjj h GLU 93 CO -0.17 0.58 0.03 1.28 0.07 0.00 0.00 179.01 180.80 1yjj n LEU 94 N -4.52 3.15 -4.73 3.06 4.77 -0.62 -4.94 117.00 113.18 1yjj n LEU 94 Ca 0.14 -1.60 -0.41 0.00 -0.03 0.00 0.00 56.01 54.11 1yjj n LEU 94 Cb 0.28 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1yjj n LEU 94 CO 0.32 0.44 0.98 -0.90 -1.33 0.00 0.00 177.39 176.90 1yjj n ASP 95 N 0.20 3.06 0.00 -1.43 5.75 0.30 -3.18 116.55 121.25 1yjj n ASP 95 Ca 0.13 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 56.08 1yjj n ASP 95 Cb 0.68 -1.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.23 1yjj n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yjj n GLY 96 N 0.67 0.70 3.66 6.12 0.00 0.38 -4.76 105.19 111.96 1yjj n GLY 96 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 1yjj n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1yjj n ILE 97 N -1.18 0.44 -3.73 -0.61 0.13 -1.15 -4.80 119.36 108.46 1yjj n ILE 97 Ca 0.00 -0.11 -0.37 0.00 -1.10 0.00 0.00 62.75 61.17 1yjj n ILE 97 Cb 0.00 -1.44 -0.12 0.00 -0.84 0.00 0.00 39.64 37.24 1yjj n ILE 97 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1yjj s VAL 98 N 0.42 4.35 -0.16 9.51 1.01 -1.26 -1.55 120.40 132.72 1yjj s VAL 98 Ca 0.74 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1yjj s VAL 98 Cb -0.69 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1yjj s VAL 98 CO 0.44 0.25 -0.02 -0.69 0.00 0.00 0.00 175.10 175.09 1yjj s VAL 99 N 1.60 4.04 -0.25 2.92 1.01 0.57 -1.05 120.40 129.25 1yjj s VAL 99 Ca 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1yjj s VAL 99 Cb -0.16 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1yjj s VAL 99 CO 0.04 0.48 0.08 -1.81 0.00 0.00 0.00 175.10 173.90 1yjj s ASP 100 N 0.39 5.25 0.19 3.32 1.01 0.71 0.42 116.67 127.97 1yjj s ASP 100 Ca -0.03 -0.17 -0.05 0.00 0.71 0.00 0.00 52.55 53.01 1yjj s ASP 100 Cb -0.14 -1.95 -0.06 0.00 1.01 0.00 0.00 42.92 41.79 1yjj s ASP 100 CO 0.02 -0.03 0.44 -0.69 0.21 0.00 0.00 175.17 175.13 1yjj s VAL 101 N 1.59 5.10 0.60 -1.27 1.01 0.09 0.24 120.40 127.76 1yjj s VAL 101 Ca 0.06 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.23 1yjj s VAL 101 Cb -0.15 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.68 1yjj s VAL 101 CO 0.04 -0.06 0.83 -2.16 0.00 0.00 0.00 175.10 173.76 1yjj s PRO 102 N -2.89 2.20 0.25 2.72 0.04 -1.26 -4.09 135.00 131.97 1yjj s PRO 102 Ca 0.43 -1.69 0.21 0.00 0.04 0.00 0.00 61.00 59.99 1yjj s PRO 102 Cb -0.12 -2.62 0.07 0.00 0.04 0.00 0.00 34.50 31.87 1yjj s PRO 102 CO 0.25 -0.97 1.20 -0.44 0.04 0.00 0.00 177.00 177.07 1yjj h ASP 103 N 0.08 0.00 -3.24 6.66 5.19 -1.95 -3.42 116.42 119.74 1yjj h ASP 103 Ca -0.28 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.65 1yjj h ASP 103 Cb 1.29 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.43 1yjj h ASP 103 CO 0.40 0.17 -0.78 -0.60 -3.12 0.00 0.00 179.24 175.30 1yjj s ARG 104 N -3.20 1.04 0.00 3.56 3.52 -1.26 -4.97 118.95 117.64 1yjj s ARG 104 Ca 0.02 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1yjj s ARG 104 Cb 0.08 -1.24 0.00 0.00 -1.56 0.00 0.00 34.95 32.23 1yjj s ARG 104 CO 0.76 -0.27 0.00 0.00 -0.81 0.00 0.00 175.30 174.98 1yjj n GLN 105 N 4.97 2.26 0.00 5.12 -0.00 -1.26 -3.96 117.38 124.50 1yjj n GLN 105 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.89 1yjj n GLN 105 Cb 0.50 -0.76 0.00 0.00 -0.00 0.00 0.00 30.24 29.98 1yjj n GLN 105 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93