#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 4.15 -0.18 1.43 -0.14 -1.26 -2.72 119.74 121.01 1yjj s LYS 2 Ca 0.00 1.01 -0.01 0.00 -1.36 0.00 0.00 55.97 55.61 1yjj s LYS 2 Cb 0.00 -3.67 0.00 0.00 -1.68 0.00 0.00 37.83 32.48 1yjj s LYS 2 CO 0.00 -0.63 -0.13 0.08 -0.76 0.00 0.00 175.35 173.91 1yjj s VAL 3 N 3.07 2.69 -0.13 3.17 1.01 -0.54 0.38 120.40 130.04 1yjj s VAL 3 Ca 0.38 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1yjj s VAL 3 Cb -0.15 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1yjj s VAL 3 CO 0.09 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1yjj s VAL 4 N 1.16 3.75 -0.29 2.92 1.01 -0.10 -0.82 120.40 128.03 1yjj s VAL 4 Ca 0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1yjj s VAL 4 Cb -0.14 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1yjj s VAL 4 CO -0.05 0.52 0.07 -0.31 0.00 0.00 0.00 175.10 175.33 1yjj s TYR 5 N 0.08 3.14 -0.36 5.22 2.02 0.11 -0.62 117.35 126.93 1yjj s TYR 5 Ca -0.01 -0.94 -0.14 0.00 -0.37 0.00 0.00 57.07 55.60 1yjj s TYR 5 Cb -0.14 -2.25 -0.01 0.00 -0.40 0.00 0.00 41.96 39.17 1yjj s TYR 5 CO 0.03 -0.56 0.27 0.08 -1.57 0.00 0.00 175.55 173.80 1yjj s VAL 6 N 1.50 5.26 0.58 0.71 1.01 0.31 -1.17 120.40 128.61 1yjj s VAL 6 Ca 0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1yjj s VAL 6 Cb -0.17 -3.79 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1yjj s VAL 6 CO 0.02 -0.11 0.79 -1.54 0.00 0.00 0.00 175.10 174.26 1yjj n SER 7 N 5.16 0.18 0.06 3.32 3.41 -0.83 -0.97 113.62 123.94 1yjj n SER 7 Ca -0.12 -1.36 -0.20 0.00 -0.26 0.00 0.00 58.87 56.93 1yjj n SER 7 Cb 0.49 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 1yjj n SER 7 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1yjj h HIS 8 N -1.34 0.66 0.00 7.33 2.07 -1.78 -3.16 115.15 118.94 1yjj h HIS 8 Ca -0.26 -0.45 0.00 0.00 -2.85 0.00 0.00 60.37 56.81 1yjj h HIS 8 Cb 0.73 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.68 1yjj h HIS 8 CO 0.00 1.33 0.00 -0.40 -3.07 0.00 0.00 177.93 175.79 1yjj n ASP 9 N -4.06 0.00 0.00 3.10 5.75 -1.26 -4.80 116.55 115.29 1yjj n ASP 9 Ca -0.14 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1yjj n ASP 9 Cb 0.85 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1yjj n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yjj n GLY 10 N -0.87 0.07 3.72 6.12 0.00 -1.19 -5.05 105.19 107.98 1yjj n GLY 10 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.96 -0.18 2.61 -1.32 -1.26 -4.74 115.64 112.71 1yjj s THR 11 Ca 0.00 1.43 -0.10 0.00 -1.21 0.00 0.00 61.69 61.80 1yjj s THR 11 Cb 0.00 -3.91 -0.05 0.00 -1.51 0.00 0.00 72.50 67.03 1yjj s THR 11 CO 0.00 0.12 0.16 -0.13 -2.21 0.00 0.00 174.62 172.56 1yjj s ARG 12 N 0.95 4.08 -0.15 7.08 0.52 -1.26 -1.97 118.95 128.20 1yjj s ARG 12 Ca 0.58 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 1yjj s ARG 12 Cb -0.30 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 31.81 1yjj s ARG 12 CO 0.30 0.37 -0.15 0.50 0.02 0.00 0.00 175.30 176.34 1yjj s ARG 13 N 0.14 2.36 -0.12 3.54 6.06 -0.32 -4.95 118.95 125.68 1yjj s ARG 13 Ca 0.10 -0.59 -0.01 0.00 -2.50 0.00 0.00 55.73 52.74 1yjj s ARG 13 Cb -0.11 -2.14 -0.02 0.00 0.06 0.00 0.00 34.95 32.73 1yjj s ARG 13 CO -0.00 -0.22 -0.09 -1.21 -2.50 0.00 0.00 175.30 171.27 1yjj s GLU 14 N 1.44 3.28 0.36 5.12 8.01 -1.26 0.04 118.70 135.70 1yjj s GLU 14 Ca 0.04 -0.61 0.05 0.00 0.01 0.00 0.00 54.97 54.46 1yjj s GLU 14 Cb -0.13 -2.69 -0.07 0.00 -4.31 0.00 0.00 34.13 26.94 1yjj s GLU 14 CO -0.10 0.34 0.04 -0.51 0.01 0.00 0.00 175.26 175.03 1yjj s LEU 15 N 0.05 2.47 -0.31 1.80 1.43 0.00 -4.95 118.68 119.17 1yjj s LEU 15 Ca -0.03 -1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 51.60 1yjj s LEU 15 Cb -0.14 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 1yjj s LEU 15 CO 0.04 -0.55 0.13 -1.81 0.23 0.00 0.00 176.35 174.38 1yjj s ASP 16 N -3.59 5.41 -0.18 2.29 1.11 -1.26 -1.47 116.67 118.98 1yjj s ASP 16 Ca 0.35 -0.61 -0.03 0.00 0.18 0.00 0.00 52.55 52.45 1yjj s ASP 16 Cb 0.09 -1.96 -0.01 0.00 1.07 0.00 0.00 42.92 42.11 1yjj s ASP 16 CO 0.16 -0.20 -0.07 -0.69 1.18 0.00 0.00 175.17 175.55 1yjj s VAL 17 N 1.57 3.30 0.83 -1.27 1.01 -1.10 -4.86 120.40 119.88 1yjj s VAL 17 Ca 0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1yjj s VAL 17 Cb -0.17 -2.46 0.09 0.00 0.00 0.00 0.00 36.38 33.84 1yjj s VAL 17 CO 0.05 0.47 1.09 0.00 0.00 0.00 0.00 175.10 176.71 1yjj s ALA 18 N 0.97 1.99 0.36 5.51 0.00 -1.26 -1.53 121.76 127.80 1yjj s ALA 18 Ca -0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.58 1yjj s ALA 18 Cb -0.15 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 1yjj s ALA 18 CO -0.00 -1.95 1.50 0.16 0.00 0.00 0.00 175.76 175.47 1yjj s ASP 19 N -3.65 6.35 0.00 0.00 -4.77 -1.26 -1.97 116.67 111.37 1yjj s ASP 19 Ca 0.62 3.03 0.00 0.00 -3.30 0.00 0.00 52.55 52.90 1yjj s ASP 19 Cb -0.16 -2.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.01 1yjj s ASP 19 CO 0.56 -0.88 0.00 0.61 0.70 0.00 0.00 175.17 176.16 1yjj n GLY 20 N 0.74 1.05 3.90 2.12 0.00 -1.01 -5.00 105.19 106.98 1yjj n GLY 20 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.71 5.17 0.07 1.61 1.01 -0.83 -4.88 120.40 118.85 1yjj s VAL 21 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1yjj s VAL 21 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1yjj s VAL 21 CO 0.00 0.06 0.55 -0.94 0.00 0.00 0.00 175.10 174.78 1yjj s SER 22 N -2.37 7.02 0.61 3.32 1.04 -1.26 -1.40 113.70 120.66 1yjj s SER 22 Ca 0.40 1.21 0.28 0.00 0.48 0.00 0.00 55.95 58.33 1yjj s SER 22 Cb -0.12 -2.34 1.47 0.00 0.10 0.00 0.00 66.02 65.13 1yjj s SER 22 CO 0.24 0.26 1.87 -0.07 0.98 0.00 0.00 173.24 176.52 1yjj h LEU 23 N 4.46 0.00 -0.27 2.42 3.38 -1.66 1.08 115.31 124.71 1yjj h LEU 23 Ca -0.50 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1yjj h LEU 23 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1yjj h LEU 23 CO 0.63 0.00 -0.46 -0.03 0.09 0.00 0.00 178.44 178.68 1yjj h MET 24 N 0.00 0.00 0.24 1.13 4.05 -1.86 -2.86 114.93 115.63 1yjj h MET 24 Ca 0.15 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1yjj h MET 24 Cb 1.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1yjj h MET 24 CO -0.00 0.46 -0.12 1.96 0.23 0.00 0.00 176.91 179.44 1yjj h GLN 25 N 0.00 -0.31 0.00 0.39 4.20 0.88 -3.00 115.11 117.27 1yjj h GLN 25 Ca -0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1yjj h GLN 25 Cb 1.24 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1yjj h GLN 25 CO 0.06 -0.06 -0.06 0.00 -0.67 0.00 0.00 178.83 178.10 1yjj h ALA 26 N -0.81 1.45 0.46 3.87 0.00 -1.63 -3.01 119.26 119.59 1yjj h ALA 26 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1yjj h ALA 26 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yjj h ALA 26 CO 0.05 0.07 -0.22 0.00 0.00 0.00 0.00 179.25 179.16 1yjj h ALA 27 N 1.94 -0.62 -0.12 0.00 0.00 -1.54 -2.24 119.26 116.67 1yjj h ALA 27 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1yjj h ALA 27 Cb 0.15 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1yjj h ALA 27 CO 0.01 -0.66 0.55 0.28 0.00 0.00 0.00 179.25 179.43 1yjj h VAL 28 N -0.99 0.06 0.00 0.00 2.07 -1.38 1.86 116.25 117.87 1yjj h VAL 28 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1yjj h VAL 28 Cb 0.58 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1yjj h VAL 28 CO 0.10 0.00 -0.90 -1.28 0.02 0.00 0.00 177.57 175.52 1yjj h SER 29 N 0.00 0.00 -0.32 0.57 0.87 -1.47 -3.30 113.55 109.89 1yjj h SER 29 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1yjj h SER 29 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1yjj h SER 29 CO -0.00 0.02 0.00 0.59 -0.53 0.00 0.00 176.83 176.91 1yjj n ASN 30 N -2.74 2.86 -2.48 6.23 3.02 0.59 -4.99 115.26 117.76 1yjj n ASN 30 Ca 0.00 -2.00 -0.15 0.00 -0.03 0.00 0.00 54.58 52.40 1yjj n ASN 30 Cb 0.56 -0.22 0.05 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.45 -0.01 0.85 7.41 0.00 0.13 -4.96 105.19 109.07 1yjj n GLY 31 Ca 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.11 1.22 1.36 -0.61 5.41 -1.07 -4.75 119.36 116.82 1yjj n ILE 32 Ca 0.01 0.34 0.09 0.00 1.00 0.00 0.00 62.75 64.19 1yjj n ILE 32 Cb 0.54 -1.70 0.36 0.00 -0.71 0.00 0.00 39.64 38.13 1yjj n ILE 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yjj n TYR 33 N -3.62 0.20 0.00 1.39 9.36 -1.26 -4.57 117.16 118.65 1yjj n TYR 33 Ca -0.03 -0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1yjj n TYR 33 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 1yjj n TYR 33 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1yjj n ASP 34 N 0.10 0.00 0.00 2.98 5.75 -1.26 -4.51 116.55 119.61 1yjj n ASP 34 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1yjj n ASP 34 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1yjj n ASP 34 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1yjj n ILE 35 N 0.00 0.00 -3.68 2.12 5.41 -1.26 -4.44 119.36 117.51 1yjj n ILE 35 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1yjj n ILE 35 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1yjj n ILE 35 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1yjj n VAL 36 N 0.00 0.00 0.00 1.39 0.24 -1.26 -5.15 118.33 113.55 1yjj n VAL 36 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1yjj n VAL 36 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1yjj n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yjj n GLY 37 N 1.66 -0.87 0.00 7.63 0.00 -1.26 -5.02 105.19 107.32 1yjj n GLY 37 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1yjj n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yjj n ASP 38 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -3.43 116.55 113.39 1yjj n ASP 38 Ca 0.00 0.70 0.08 0.00 -1.51 0.00 0.00 54.79 54.06 1yjj n ASP 38 Cb 0.00 -0.40 0.50 0.00 2.34 0.00 0.00 41.12 43.56 1yjj n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yjj n GLY 40 N 0.41 0.79 0.00 0.00 0.00 -1.22 -2.52 105.19 102.65 1yjj n GLY 40 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 1.70 1.99 -0.02 0.00 -1.26 -5.00 105.19 100.60 1yjj n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 4.49 -3.49 1.61 2.88 -1.05 -4.88 113.62 113.19 1yjj n SER 42 Ca 0.00 -3.21 -0.24 0.00 -1.33 0.00 0.00 58.87 54.09 1yjj n SER 42 Cb 0.00 -0.75 0.05 0.00 -0.75 0.00 0.00 64.21 62.76 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 -0.30 -2.53 -1.85 -1.46 0.00 -1.26 -4.91 120.51 108.20 1yjj n ALA 43 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1yjj n ALA 43 Cb 1.39 -4.64 0.00 0.00 0.00 0.00 0.00 19.45 16.19 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 -2.85 0.00 -0.85 0.00 2.88 -1.26 -4.95 113.62 106.59 1yjj n SER 44 Ca -0.08 -1.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 1yjj n SER 44 Cb 0.60 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 1.56 0.28 0.00 0.00 -1.26 -4.76 120.51 113.33 1yjj n ALA 46 Ca 0.00 -0.91 0.16 0.00 0.00 0.00 0.00 53.44 52.69 1yjj n ALA 46 Cb 0.00 -0.10 0.77 0.00 0.00 0.00 0.00 19.45 20.12 1yjj n ALA 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yjj h THR 47 N 2.30 0.19 -0.42 0.00 1.35 -1.74 -2.90 112.91 111.69 1yjj h THR 47 Ca 0.00 -0.51 -0.26 0.00 -0.55 0.00 0.00 66.41 65.09 1yjj h THR 47 Cb 0.89 1.42 -0.12 0.00 -1.73 0.00 0.00 68.15 68.61 1yjj h THR 47 CO 0.00 0.05 0.34 0.00 -0.25 0.00 0.00 175.52 175.66 1yjj s HIS 49 N -1.53 2.07 0.31 0.00 5.04 -1.10 -3.08 115.29 117.01 1yjj s HIS 49 Ca 0.26 0.60 0.02 0.00 -1.54 0.00 0.00 55.06 54.40 1yjj s HIS 49 Cb 0.21 -4.09 -0.02 0.00 0.04 0.00 0.00 32.58 28.72 1yjj s HIS 49 CO 0.01 -2.74 0.34 0.14 -2.34 0.00 0.00 174.74 170.15 1yjj s VAL 50 N 5.82 0.00 -0.24 0.89 -7.23 -1.20 -4.56 120.40 113.88 1yjj s VAL 50 Ca 0.72 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1yjj s VAL 50 Cb -0.22 -2.54 0.06 0.00 0.56 0.00 0.00 36.38 34.24 1yjj s VAL 50 CO 0.31 0.00 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.73 1yjj s TYR 51 N -3.42 2.56 0.08 2.82 2.02 0.52 -3.08 117.35 118.86 1yjj s TYR 51 Ca 0.36 -1.88 -0.24 0.00 -0.37 0.00 0.00 57.07 54.94 1yjj s TYR 51 Cb 0.02 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.85 1yjj s TYR 51 CO 0.22 -0.80 0.75 0.08 -1.57 0.00 0.00 175.55 174.23 1yjj s VAL 52 N 1.34 4.64 -0.10 0.71 1.01 -1.26 0.20 120.40 126.94 1yjj s VAL 52 Ca -0.06 1.61 -0.34 0.00 0.00 0.00 0.00 61.98 63.18 1yjj s VAL 52 Cb -0.19 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 1yjj s VAL 52 CO -0.06 0.42 1.90 -3.20 0.00 0.00 0.00 175.10 174.15 1yjj n ASN 53 N 2.42 3.41 0.00 3.32 5.15 -0.05 -4.69 115.26 124.81 1yjj n ASN 53 Ca -0.04 0.95 0.00 0.00 -0.60 0.00 0.00 54.58 54.89 1yjj n ASN 53 Cb 0.50 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 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 6.72 0.00 0.03 1.20 0.28 -1.26 -0.77 120.64 126.84 1yjj n GLU 54 Ca 0.23 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.37 1yjj n GLU 54 Cb 0.29 -1.54 0.18 0.00 1.43 0.00 0.00 31.44 31.81 1yjj n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yjj n ALA 55 N -0.73 3.26 0.16 -1.84 0.00 -1.26 -3.95 120.51 116.14 1yjj n ALA 55 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 53.44 53.14 1yjj n ALA 55 Cb 0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.83 0.00 -0.09 0.00 3.01 0.05 -4.62 117.46 113.99 1yjj n PHE 56 Ca 0.04 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.36 1yjj n PHE 56 Cb 0.39 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.82 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 0.19 1.28 -0.19 4.37 1.35 -1.68 -0.63 112.91 117.61 1yjj h THR 57 Ca 0.00 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1yjj h THR 57 Cb 0.10 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1yjj h THR 57 CO 0.00 0.54 0.00 -0.90 -0.25 0.00 0.00 175.52 174.91 1yjj n ASP 58 N -4.07 1.60 -0.06 5.36 5.75 -1.26 -4.02 116.55 119.85 1yjj n ASP 58 Ca -0.04 -1.75 -0.10 0.00 -0.01 0.00 0.00 54.79 52.88 1yjj n ASP 58 Cb 0.59 -0.12 -0.05 0.00 -1.03 0.00 0.00 41.12 40.51 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 0.29 0.28 -1.25 0.11 5.02 -1.14 -5.01 118.16 116.46 1yjj n LYS 59 Ca 0.15 0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 56.22 1yjj n LYS 59 Cb 0.30 -1.10 0.09 0.00 -0.02 0.00 0.00 35.03 34.31 1yjj n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1yjj s VAL 60 N -2.23 3.31 -0.14 -0.18 0.11 -0.25 -4.87 120.40 116.14 1yjj s VAL 60 Ca -0.16 0.42 -0.33 0.00 -2.93 0.00 0.00 61.98 58.98 1yjj s VAL 60 Cb 0.05 -2.90 -0.10 0.00 -1.53 0.00 0.00 36.38 31.89 1yjj s VAL 60 CO 0.24 -0.56 1.99 -0.81 -3.33 0.00 0.00 175.10 172.64 1yjj n PRO 61 N -3.54 2.04 -1.50 1.54 -0.04 -1.26 -4.86 135.00 127.38 1yjj n PRO 61 Ca 0.09 0.70 -0.56 0.00 -0.04 0.00 0.00 63.50 63.69 1yjj n PRO 61 Cb 0.53 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.18 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 8.01 -3.17 -1.00 0.55 0.00 -1.26 -4.92 120.51 118.72 1yjj n ALA 62 Ca 0.26 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.27 1yjj n ALA 62 Cb 0.32 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1yjj n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yjj n ALA 63 N 1.36 0.00 -2.49 0.00 0.00 -1.26 -5.07 120.51 113.04 1yjj n ALA 63 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1yjj n ALA 63 Cb 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 1yjj n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yjj s ASN 64 N -1.57 2.40 0.00 0.00 4.22 -1.26 -5.02 114.94 113.71 1yjj s ASN 64 Ca 0.00 -0.80 0.10 0.00 -2.14 0.00 0.00 52.86 50.02 1yjj s ASN 64 Cb 0.00 -0.12 0.47 0.00 1.28 0.00 0.00 41.25 42.87 1yjj s ASN 64 CO 0.00 -0.05 1.24 -1.84 -2.04 0.00 0.00 177.10 174.41 1yjj n GLU 65 N 0.56 0.09 0.10 3.55 0.28 -1.26 -2.09 120.64 121.86 1yjj n GLU 65 Ca -0.15 0.25 -0.05 0.00 -0.16 0.00 0.00 57.16 57.04 1yjj n GLU 65 Cb 0.56 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.95 1yjj n GLU 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yjj h ARG 66 N 0.00 0.03 0.08 3.44 2.47 -1.99 -3.19 114.38 115.21 1yjj h ARG 66 Ca 0.00 -0.04 -0.26 0.00 -1.26 0.00 0.00 59.98 58.42 1yjj h ARG 66 Cb 0.12 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1yjj h ARG 66 CO 0.00 0.84 -1.13 0.93 0.56 0.00 0.00 179.97 181.17 1yjj h GLU 67 N 0.02 0.44 -0.85 0.04 5.08 -1.79 -3.21 114.58 114.31 1yjj h GLU 67 Ca -0.01 -0.58 0.21 0.00 -1.00 0.00 0.00 59.36 57.98 1yjj h GLU 67 Cb 1.45 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 30.76 1yjj h GLU 67 CO 0.11 1.23 0.28 0.82 -1.00 0.00 0.00 179.01 180.44 1yjj h ILE 68 N 0.20 0.42 0.00 3.13 5.03 -1.59 1.82 117.51 126.52 1yjj h ILE 68 Ca -0.13 -0.10 -0.10 0.00 -0.12 0.00 0.00 64.86 64.41 1yjj h ILE 68 Cb 1.80 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 35.68 1yjj h ILE 68 CO 0.20 0.05 -0.46 1.23 -0.68 0.00 0.00 178.15 178.49 1yjj h GLY 69 N 0.29 0.00 1.40 5.37 0.00 -1.63 -1.74 103.07 106.76 1yjj h GLY 69 Ca 0.52 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.55 1yjj h GLY 69 CO -0.58 0.00 -1.41 -0.33 0.00 0.00 0.00 176.54 174.23 1yjj h MET 70 N 0.00 0.34 0.00 4.80 2.86 0.49 -3.17 114.93 120.26 1yjj h MET 70 Ca -0.00 -0.59 -0.01 0.00 -2.06 0.00 0.00 59.70 57.03 1yjj h MET 70 Cb 0.84 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1yjj h MET 70 CO 0.06 1.26 -0.06 -0.07 1.06 0.00 0.00 176.91 179.16 1yjj h LEU 71 N 0.09 0.00 0.00 1.22 3.38 0.26 0.66 115.31 120.92 1yjj h LEU 71 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1yjj h LEU 71 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1yjj h LEU 71 CO 0.21 0.06 0.00 1.21 0.09 0.00 0.00 178.44 180.01 1yjj n GLU 72 N -4.21 0.83 -0.15 1.13 4.07 -0.67 -2.76 120.64 118.88 1yjj n GLU 72 Ca -0.03 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.14 1yjj n GLU 72 Cb 0.15 -1.28 0.13 0.00 -0.06 0.00 0.00 31.44 30.38 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 -2.19 2.62 -0.06 0.00 -7.23 -1.11 -4.88 120.40 107.55 1yjj s VAL 74 Ca 0.25 0.20 0.13 0.00 -1.81 0.00 0.00 61.98 60.76 1yjj s VAL 74 Cb 0.21 -2.89 -0.17 0.00 0.56 0.00 0.00 36.38 34.09 1yjj s VAL 74 CO 0.05 -0.26 0.88 0.74 -0.31 0.00 0.00 175.10 176.19 1yjj h THR 75 N -1.34 0.85 -5.94 5.32 2.02 -1.83 -3.48 112.91 108.52 1yjj h THR 75 Ca -0.49 -2.52 -0.40 0.00 0.77 0.00 0.00 66.41 63.77 1yjj h THR 75 Cb 1.29 2.35 0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1yjj h THR 75 CO 0.59 0.49 -0.09 0.00 0.37 0.00 0.00 175.52 176.88 1yjj n ALA 76 N -2.44 0.92 -2.17 6.16 0.00 -1.26 -5.04 120.51 116.68 1yjj n ALA 76 Ca -0.10 -1.69 -0.42 0.00 0.00 0.00 0.00 53.44 51.22 1yjj n ALA 76 Cb 0.93 0.52 -0.03 0.00 0.00 0.00 0.00 19.45 20.87 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 -4.03 4.28 0.70 0.00 2.12 -1.26 -5.00 118.70 115.50 1yjj s GLU 77 Ca 0.43 2.04 -0.11 0.00 0.36 0.00 0.00 54.97 57.69 1yjj s GLU 77 Cb -0.03 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.83 1yjj s GLU 77 CO 0.27 -0.58 1.06 -1.17 -0.54 0.00 0.00 175.26 174.31 1yjj s LEU 78 N 2.24 3.04 0.22 2.70 2.96 -1.26 -5.07 118.68 123.51 1yjj s LEU 78 Ca 0.65 1.47 0.10 0.00 -0.22 0.00 0.00 54.13 56.14 1yjj s LEU 78 Cb -0.33 -4.33 -0.05 0.00 0.50 0.00 0.00 46.19 41.98 1yjj s LEU 78 CO 0.28 -1.38 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.19 1yjj s LYS 79 N -5.13 1.49 0.43 1.98 -0.14 -1.26 -4.99 119.74 112.13 1yjj s LYS 79 Ca 0.58 -1.60 0.10 0.00 -1.36 0.00 0.00 55.97 53.69 1yjj s LYS 79 Cb -0.13 -1.59 0.95 0.00 -1.68 0.00 0.00 37.83 35.38 1yjj s LYS 79 CO 0.54 0.31 2.04 -1.00 -0.76 0.00 0.00 175.35 176.49 1yjj h PRO 80 N 2.76 0.31 -0.41 -1.68 0.13 -2.03 -1.75 132.00 129.33 1yjj h PRO 80 Ca -0.42 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1yjj h PRO 80 Cb 1.23 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1yjj h PRO 80 CO 0.55 0.27 0.05 0.27 -0.23 0.00 0.00 178.00 178.91 1yjj n ASN 81 N -4.44 4.05 -4.77 1.44 0.23 -1.26 -5.01 115.26 105.50 1yjj n ASN 81 Ca 0.00 -3.19 -0.35 0.00 -0.53 0.00 0.00 54.58 50.52 1yjj n ASN 81 Cb 0.13 -0.62 0.01 0.00 -2.08 0.00 0.00 39.78 37.22 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 -1.73 5.60 0.12 0.53 0.15 -0.66 -4.36 113.70 113.35 1yjj s SER 82 Ca 0.47 2.19 -0.14 0.00 0.70 0.00 0.00 55.95 59.16 1yjj s SER 82 Cb 0.38 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1yjj s SER 82 CO 0.09 -1.30 0.35 -0.13 1.20 0.00 0.00 173.24 173.45 1yjj s ARG 83 N -3.36 1.02 0.24 5.44 0.52 -1.18 -4.94 118.95 116.69 1yjj s ARG 83 Ca 0.73 -0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 55.02 1yjj s ARG 83 Cb -0.24 0.44 -0.08 0.00 0.52 0.00 0.00 34.95 35.59 1yjj s ARG 83 CO 0.29 -0.38 0.64 -0.51 0.02 0.00 0.00 175.30 175.36 1yjj s LEU 84 N -2.82 4.20 0.20 2.53 1.43 -1.26 -3.23 118.68 119.72 1yjj s LEU 84 Ca 0.04 1.16 0.23 0.00 -1.03 0.00 0.00 54.13 54.53 1yjj s LEU 84 Cb 0.03 -3.71 0.10 0.00 0.03 0.00 0.00 46.19 42.64 1yjj s LEU 84 CO -0.12 -0.06 1.14 0.00 0.23 0.00 0.00 176.35 177.54 1yjj n GLN 87 N -0.12 0.28 -4.16 0.00 -0.00 -1.25 -4.71 117.38 107.41 1yjj n GLN 87 Ca 0.04 -1.13 -0.35 0.00 -0.00 0.00 0.00 57.00 55.56 1yjj n GLN 87 Cb 0.15 -0.65 -0.13 0.00 -0.00 0.00 0.00 30.24 29.61 1yjj n GLN 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1yjj s ILE 88 N -0.41 3.74 -0.27 -0.39 1.01 -1.23 -4.89 121.20 118.76 1yjj s ILE 88 Ca 0.04 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1yjj s ILE 88 Cb 0.04 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 1yjj s ILE 88 CO 0.00 0.45 0.18 -0.63 0.00 0.00 0.00 174.94 174.94 1yjj s ILE 89 N 0.92 5.32 0.56 2.92 -1.09 -1.26 -2.65 121.20 125.92 1yjj s ILE 89 Ca 0.00 0.17 -0.15 0.00 -2.23 0.00 0.00 60.65 58.44 1yjj s ILE 89 Cb -0.14 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 37.16 1yjj s ILE 89 CO 0.01 0.28 1.01 -0.32 -1.23 0.00 0.00 174.94 174.70 1yjj s MET 90 N 1.55 3.67 -0.04 2.79 1.75 -0.49 -4.79 119.30 123.74 1yjj s MET 90 Ca 0.07 0.97 -0.14 0.00 -1.25 0.00 0.00 55.69 55.35 1yjj s MET 90 Cb -0.15 -2.09 0.03 0.00 2.84 0.00 0.00 34.83 35.45 1yjj s MET 90 CO 0.09 -0.51 0.31 0.95 -0.65 0.00 0.00 175.02 175.22 1yjj s THR 91 N -2.72 0.04 0.24 10.11 -4.23 -1.26 -2.41 115.64 115.41 1yjj s THR 91 Ca 0.59 -0.35 -0.05 0.00 -1.18 0.00 0.00 61.69 60.70 1yjj s THR 91 Cb -0.12 -0.57 0.20 0.00 1.34 0.00 0.00 72.50 73.35 1yjj s THR 91 CO 0.38 -0.19 1.81 1.55 -0.54 0.00 0.00 174.62 177.63 1yjj h PRO 92 N 4.35 0.73 -0.79 3.99 0.13 -1.92 -1.18 132.00 137.30 1yjj h PRO 92 Ca -0.29 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 64.89 1yjj h PRO 92 Cb 1.18 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.09 1yjj h PRO 92 CO 0.37 0.48 0.52 1.05 -0.23 0.00 0.00 178.00 180.19 1yjj h GLU 93 N 0.75 0.71 -0.87 0.86 4.11 -2.01 0.12 114.58 118.25 1yjj h GLU 93 Ca 0.38 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.73 1yjj h GLU 93 Cb 0.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1yjj h GLU 93 CO -0.24 0.47 0.05 1.28 0.07 0.00 0.00 179.01 180.64 1yjj n LEU 94 N -4.50 3.13 -4.73 3.06 4.77 -0.45 -4.93 117.00 113.35 1yjj n LEU 94 Ca 0.13 -1.60 -0.42 0.00 -0.03 0.00 0.00 56.01 54.09 1yjj n LEU 94 Cb 0.32 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1yjj n LEU 94 CO 0.32 0.46 1.05 -0.90 -1.33 0.00 0.00 177.39 176.98 1yjj n ASP 95 N 0.17 3.27 0.00 -1.43 5.75 0.41 -3.04 116.55 121.68 1yjj n ASP 95 Ca 0.13 1.20 0.00 0.00 -0.01 0.00 0.00 54.79 56.11 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 1.08 0.70 3.67 6.12 0.00 0.16 -4.73 105.19 112.19 1yjj n GLY 96 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.17 0.68 -3.84 -0.61 0.00 -1.01 -4.74 119.36 108.66 1yjj n ILE 97 Ca 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 62.75 62.22 1yjj n ILE 97 Cb 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 39.64 38.01 1yjj n ILE 97 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1yjj s VAL 98 N 0.22 4.00 -0.19 9.51 1.01 -1.26 -0.93 120.40 132.75 1yjj s VAL 98 Ca 0.71 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 1yjj s VAL 98 Cb -0.66 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1yjj s VAL 98 CO 0.46 0.38 0.02 -0.69 0.00 0.00 0.00 175.10 175.27 1yjj s VAL 99 N 1.49 4.27 -0.24 2.92 1.01 0.20 -0.88 120.40 129.18 1yjj s VAL 99 Ca 0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1yjj s VAL 99 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1yjj s VAL 99 CO 0.01 0.43 0.09 -1.81 0.00 0.00 0.00 175.10 173.83 1yjj s ASP 100 N 0.78 5.45 -0.12 3.32 1.11 0.54 0.11 116.67 127.85 1yjj s ASP 100 Ca 0.01 -0.09 -0.02 0.00 0.18 0.00 0.00 52.55 52.64 1yjj s ASP 100 Cb -0.14 -1.98 -0.03 0.00 1.07 0.00 0.00 42.92 41.85 1yjj s ASP 100 CO 0.02 0.02 -0.06 -0.69 1.18 0.00 0.00 175.17 175.63 1yjj s VAL 101 N 1.33 3.67 0.25 -1.27 1.01 -0.14 0.20 120.40 125.44 1yjj s VAL 101 Ca 0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1yjj s VAL 101 Cb -0.15 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.72 1yjj s VAL 101 CO 0.05 0.53 0.33 -0.81 0.00 0.00 0.00 175.10 175.20 1yjj n PRO 102 N 3.13 -0.25 0.10 2.72 -0.04 -1.26 -3.07 135.00 136.33 1yjj n PRO 102 Ca -0.18 -0.55 0.12 0.00 -0.04 0.00 0.00 63.50 62.85 1yjj n PRO 102 Cb 0.53 -0.33 0.12 0.00 -0.04 0.00 0.00 33.50 33.77 1yjj n PRO 102 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1yjj h ASP 103 N -0.42 0.00 -3.36 3.54 3.58 -1.97 -3.41 116.42 114.38 1yjj h ASP 103 Ca -0.11 -0.09 -0.58 0.00 0.42 0.00 0.00 57.03 56.68 1yjj h ASP 103 Cb 0.31 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 40.98 1yjj h ASP 103 CO 0.08 0.04 -0.80 -0.13 -2.88 0.00 0.00 179.24 175.55 1yjj s ARG 104 N -3.25 1.66 -0.00 0.28 0.52 -1.26 -4.95 118.95 111.94 1yjj s ARG 104 Ca 0.04 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 1yjj s ARG 104 Cb 0.11 -2.15 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 1yjj s ARG 104 CO 0.73 -0.43 0.11 0.00 0.02 0.00 0.00 175.30 175.74 1yjj n GLN 105 N 4.81 3.29 0.00 3.54 10.64 -1.26 -4.11 117.38 134.28 1yjj n GLN 105 Ca -0.13 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.03 1yjj n GLN 105 Cb 0.47 -0.85 0.00 0.00 -0.86 0.00 0.00 30.24 29.00 1yjj n GLN 105 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10