#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 4.33 -0.09 1.43 -0.14 -1.26 -2.84 119.74 121.17 1yjj s LYS 2 Ca 0.00 0.79 0.02 0.00 -1.36 0.00 0.00 55.97 55.42 1yjj s LYS 2 Cb 0.00 -3.51 0.01 0.00 -1.68 0.00 0.00 37.83 32.65 1yjj s LYS 2 CO 0.00 -0.09 -0.14 0.08 -0.76 0.00 0.00 175.35 174.43 1yjj s VAL 3 N 1.38 1.37 -0.11 3.17 1.01 -0.47 0.76 120.40 127.51 1yjj s VAL 3 Ca 0.34 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1yjj s VAL 3 Cb -0.17 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1yjj s VAL 3 CO 0.14 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 1yjj s VAL 4 N 0.79 3.35 -0.25 2.92 1.01 0.17 -0.61 120.40 127.78 1yjj s VAL 4 Ca -0.11 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1yjj s VAL 4 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1yjj s VAL 4 CO 0.02 0.55 0.04 -0.31 0.00 0.00 0.00 175.10 175.39 1yjj s TYR 5 N -0.11 3.06 -0.39 5.22 2.02 0.25 0.28 117.35 127.69 1yjj s TYR 5 Ca -0.00 -0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 55.78 1yjj s TYR 5 Cb -0.13 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.23 1yjj s TYR 5 CO 0.03 -0.49 0.30 0.08 -1.57 0.00 0.00 175.55 173.90 1yjj s VAL 6 N 1.53 5.25 0.98 0.71 1.01 0.24 -1.12 120.40 129.00 1yjj s VAL 6 Ca 0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1yjj s VAL 6 Cb -0.15 -3.87 0.23 0.00 0.00 0.00 0.00 36.38 32.59 1yjj s VAL 6 CO 0.01 -0.22 1.10 -1.54 0.00 0.00 0.00 175.10 174.45 1yjj n SER 7 N 5.19 -0.81 0.03 3.32 3.41 -0.21 -0.66 113.62 123.89 1yjj n SER 7 Ca -0.11 -1.29 -0.19 0.00 -0.26 0.00 0.00 58.87 57.02 1yjj n SER 7 Cb 0.48 -0.91 -0.13 0.00 -0.26 0.00 0.00 64.21 63.39 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 -2.09 0.50 0.00 7.33 2.07 -1.77 -3.07 115.15 118.13 1yjj h HIS 8 Ca -0.38 -0.34 0.00 0.00 -2.85 0.00 0.00 60.37 56.81 1yjj h HIS 8 Cb 1.09 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.04 1yjj h HIS 8 CO 0.00 1.23 0.00 -0.40 -3.07 0.00 0.00 177.93 175.69 1yjj n ASP 9 N -4.21 0.00 0.00 3.10 5.75 -1.26 -4.76 116.55 115.18 1yjj n ASP 9 Ca -0.12 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1yjj n ASP 9 Cb 0.74 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.91 1.43 3.73 6.12 0.00 -1.16 -5.04 105.19 109.37 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 -2.33 3.27 -0.10 2.61 -1.32 -1.26 -4.67 115.64 111.85 1yjj s THR 11 Ca 0.00 0.98 -0.02 0.00 -1.21 0.00 0.00 61.69 61.44 1yjj s THR 11 Cb 0.00 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 67.33 1yjj s THR 11 CO 0.00 0.11 0.01 -0.13 -2.21 0.00 0.00 174.62 172.40 1yjj s ARG 12 N 0.46 3.09 -0.03 7.08 3.00 -1.26 -1.04 118.95 130.25 1yjj s ARG 12 Ca 0.60 -0.40 0.01 0.00 0.00 0.00 0.00 55.73 55.95 1yjj s ARG 12 Cb -0.36 -2.84 0.01 0.00 0.00 0.00 0.00 34.95 31.76 1yjj s ARG 12 CO 0.34 0.66 -0.03 0.50 0.00 0.00 0.00 175.30 176.77 1yjj s ARG 13 N -0.77 0.54 -0.02 3.54 3.52 -0.27 -4.96 118.95 120.53 1yjj s ARG 13 Ca 0.12 -0.08 0.08 0.00 -0.13 0.00 0.00 55.73 55.71 1yjj s ARG 13 Cb -0.12 -0.59 -0.02 0.00 -1.56 0.00 0.00 34.95 32.67 1yjj s ARG 13 CO 0.02 -0.03 -0.25 -1.21 -0.81 0.00 0.00 175.30 173.02 1yjj s GLU 14 N 0.58 2.11 0.39 5.12 2.02 -1.26 0.86 118.70 128.53 1yjj s GLU 14 Ca -0.07 -0.91 0.03 0.00 0.02 0.00 0.00 54.97 54.05 1yjj s GLU 14 Cb -0.10 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1yjj s GLU 14 CO -0.00 0.53 0.09 -0.51 0.02 0.00 0.00 175.26 175.39 1yjj s LEU 15 N -0.55 2.11 -0.26 1.80 1.43 0.22 -4.95 118.68 118.48 1yjj s LEU 15 Ca 0.08 -1.57 -0.05 0.00 -1.03 0.00 0.00 54.13 51.56 1yjj s LEU 15 Cb -0.10 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1yjj s LEU 15 CO -0.01 -0.81 0.02 -1.81 0.23 0.00 0.00 176.35 173.97 1yjj s ASP 16 N -3.60 4.74 -0.20 2.29 1.01 -1.26 -1.36 116.67 118.29 1yjj s ASP 16 Ca 0.26 -0.59 -0.03 0.00 0.71 0.00 0.00 52.55 52.90 1yjj s ASP 16 Cb 0.05 -1.81 -0.01 0.00 1.01 0.00 0.00 42.92 42.16 1yjj s ASP 16 CO 0.13 -0.11 -0.06 -0.69 0.21 0.00 0.00 175.17 174.66 1yjj s VAL 17 N 1.48 3.37 0.85 -1.27 1.01 -1.13 -4.85 120.40 119.85 1yjj s VAL 17 Ca 0.03 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1yjj s VAL 17 Cb -0.16 -2.51 0.11 0.00 0.00 0.00 0.00 36.38 33.82 1yjj s VAL 17 CO -0.00 0.44 1.11 0.00 0.00 0.00 0.00 175.10 176.65 1yjj s ALA 18 N 1.21 1.77 0.37 5.51 0.00 -1.26 -1.74 121.76 127.62 1yjj s ALA 18 Ca 0.03 0.32 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 1yjj s ALA 18 Cb -0.14 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1yjj s ALA 18 CO -0.02 -2.28 1.38 -0.40 0.00 0.00 0.00 175.76 174.44 1yjj n ASP 19 N -3.88 3.23 0.00 0.00 5.75 -1.26 -1.40 116.55 119.00 1yjj n ASP 19 Ca 0.10 1.21 0.00 0.00 -0.01 0.00 0.00 54.79 56.08 1yjj n ASP 19 Cb 0.53 -1.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.07 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 0.62 0.90 3.89 6.12 0.00 -0.87 -4.97 105.19 110.88 1yjj n GLY 20 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.69 5.00 0.02 1.61 1.01 -0.49 -4.84 120.40 119.00 1yjj s VAL 21 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1yjj s VAL 21 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1yjj s VAL 21 CO 0.00 -0.12 0.49 -0.94 0.00 0.00 0.00 175.10 174.53 1yjj s SER 22 N -2.59 6.91 0.57 3.32 1.04 -1.26 -1.58 113.70 120.10 1yjj s SER 22 Ca 0.45 1.08 0.34 0.00 0.48 0.00 0.00 55.95 58.30 1yjj s SER 22 Cb -0.11 -2.30 1.43 0.00 0.10 0.00 0.00 66.02 65.14 1yjj s SER 22 CO 0.24 0.26 1.72 -0.07 0.98 0.00 0.00 173.24 176.37 1yjj h LEU 23 N 4.89 0.00 -0.37 2.42 3.38 -1.50 1.36 115.31 125.49 1yjj h LEU 23 Ca -0.49 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 1yjj h LEU 23 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1yjj h LEU 23 CO 0.64 0.00 -0.40 -0.03 0.09 0.00 0.00 178.44 178.74 1yjj h MET 24 N 0.00 0.92 0.41 1.13 4.05 -1.79 -1.91 114.93 117.75 1yjj h MET 24 Ca 0.48 -0.50 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1yjj h MET 24 Cb 2.21 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 33.03 1yjj h MET 24 CO -0.01 1.15 -0.29 1.96 0.23 0.00 0.00 176.91 179.96 1yjj h GLN 25 N 0.74 -0.67 0.00 0.39 4.20 0.15 -1.74 115.11 118.18 1yjj h GLN 25 Ca 0.05 0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1yjj h GLN 25 Cb 1.00 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1yjj h GLN 25 CO 0.10 -0.44 -0.23 0.00 -0.67 0.00 0.00 178.83 177.59 1yjj h ALA 26 N -0.18 1.53 0.49 3.87 0.00 -1.52 -3.19 119.26 120.26 1yjj h ALA 26 Ca -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1yjj h ALA 26 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1yjj h ALA 26 CO 0.02 0.28 -0.24 0.00 0.00 0.00 0.00 179.25 179.31 1yjj h ALA 27 N 1.77 -0.66 -0.32 0.00 0.00 -0.89 -1.86 119.26 117.30 1yjj h ALA 27 Ca -0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1yjj h ALA 27 Cb 0.42 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1yjj h ALA 27 CO 0.03 -0.69 0.66 0.28 0.00 0.00 0.00 179.25 179.54 1yjj h VAL 28 N -1.03 0.11 0.00 0.00 2.07 -1.32 0.77 116.25 116.85 1yjj h VAL 28 Ca -0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1yjj h VAL 28 Cb 0.59 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1yjj h VAL 28 CO 0.11 0.00 -1.36 -0.24 0.02 0.00 0.00 177.57 176.10 1yjj n SER 29 N -3.13 0.60 -1.42 0.57 2.88 -1.08 -3.88 113.62 108.16 1yjj n SER 29 Ca 0.06 0.24 0.10 0.00 -1.33 0.00 0.00 58.87 57.94 1yjj n SER 29 Cb 0.79 0.83 0.33 0.00 -0.75 0.00 0.00 64.21 65.42 1yjj n SER 29 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1yjj n ASN 30 N -2.60 4.30 -1.63 -3.46 3.02 0.26 -4.94 115.26 110.21 1yjj n ASN 30 Ca -0.03 -2.23 -0.11 0.00 -0.03 0.00 0.00 54.58 52.18 1yjj n ASN 30 Cb 0.61 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.31 0.07 0.02 7.41 0.00 -0.54 -4.92 105.19 108.55 1yjj n GLY 31 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.88 0.25 0.37 -0.61 5.41 -1.00 -4.66 119.36 115.23 1yjj n ILE 32 Ca -0.06 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1yjj n ILE 32 Cb 0.56 -0.87 0.01 0.00 -0.71 0.00 0.00 39.64 38.63 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 -2.20 0.00 0.00 1.39 9.36 -1.25 -4.32 117.16 120.14 1yjj n TYR 33 Ca -0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.16 1yjj n TYR 33 Cb 0.61 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 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 -0.53 0.00 -1.45 2.98 5.75 -1.26 -3.11 116.55 118.93 1yjj n ASP 34 Ca 0.00 -0.37 0.09 0.00 -0.01 0.00 0.00 54.79 54.51 1yjj n ASP 34 Cb 0.00 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 40.42 1yjj n ASP 34 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1yjj n ILE 35 N 1.29 1.74 -2.68 2.12 -5.35 -1.26 -5.01 119.36 110.21 1yjj n ILE 35 Ca 0.00 -1.22 -0.04 0.00 -0.27 0.00 0.00 62.75 61.22 1yjj n ILE 35 Cb 0.00 0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 38.03 1yjj n ILE 35 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1yjj n VAL 36 N 1.00-11.63 -2.80 7.28 0.31 -1.18 -4.83 118.33 106.48 1yjj n VAL 36 Ca 0.24 2.37 -0.43 0.00 -0.01 0.00 0.00 64.34 66.51 1yjj n VAL 36 Cb 0.83 -6.24 -0.04 0.00 -0.91 0.00 0.00 33.84 27.49 1yjj n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yjj s GLY 37 N -0.80 1.28 -0.00 2.92 0.00 -1.26 -4.74 107.32 104.72 1yjj s GLY 37 Ca -0.21 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 42.79 1yjj s GLY 37 CO 0.72 2.17 0.65 -0.55 0.00 0.00 0.00 173.10 176.09 1yjj h ASP 38 N 9.62 -0.13 0.15 1.64 5.19 -1.98 -3.06 116.42 127.86 1yjj h ASP 38 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1yjj h ASP 38 Cb 1.07 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1yjj h ASP 38 CO 1.19 -0.05 0.00 0.00 -3.12 0.00 0.00 179.24 177.26 1yjj n GLY 40 N -0.73 0.92 0.74 0.00 0.00 -1.16 -2.58 105.19 102.38 1yjj n GLY 40 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.77 0.92 1.46 -0.02 0.00 -1.26 -4.95 105.19 99.57 1yjj n GLY 41 Ca -0.07 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 0.74 4.31 -3.29 1.61 2.88 -1.07 -4.88 113.62 113.93 1yjj n SER 42 Ca 0.00 -2.33 -0.15 0.00 -1.33 0.00 0.00 58.87 55.06 1yjj n SER 42 Cb 0.05 -0.54 0.06 0.00 -0.75 0.00 0.00 64.21 63.02 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 1.15 -2.50 -1.36 -1.46 0.00 -1.26 -4.93 120.51 110.15 1yjj n ALA 43 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1yjj n ALA 43 Cb 0.79 -4.92 0.00 0.00 0.00 0.00 0.00 19.45 15.32 1yjj n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yjj n SER 44 N -2.94 0.00 -0.93 0.00 7.64 -1.26 -4.95 113.62 111.18 1yjj n SER 44 Ca -0.07 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1yjj n SER 44 Cb 0.60 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1yjj n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yjj n ALA 46 N -3.00 2.50 0.19 0.00 0.00 -1.26 -4.79 120.51 114.15 1yjj n ALA 46 Ca 0.00 -2.21 0.11 0.00 0.00 0.00 0.00 53.44 51.34 1yjj n ALA 46 Cb 0.00 -0.57 0.13 0.00 0.00 0.00 0.00 19.45 19.01 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 5.21 0.09 -0.54 0.00 1.35 -1.83 -3.28 112.91 113.91 1yjj h THR 47 Ca -0.11 -1.13 -0.34 0.00 -0.55 0.00 0.00 66.41 64.28 1yjj h THR 47 Cb 1.52 1.97 -0.16 0.00 -1.73 0.00 0.00 68.15 69.75 1yjj h THR 47 CO 0.05 0.05 0.44 0.00 -0.25 0.00 0.00 175.52 175.81 1yjj s HIS 49 N -1.98 2.10 0.31 0.00 5.04 -1.24 -2.30 115.29 117.22 1yjj s HIS 49 Ca 0.34 0.64 0.02 0.00 -1.54 0.00 0.00 55.06 54.52 1yjj s HIS 49 Cb 0.27 -4.23 -0.02 0.00 0.04 0.00 0.00 32.58 28.64 1yjj s HIS 49 CO 0.01 -2.44 0.33 0.14 -2.34 0.00 0.00 174.74 170.45 1yjj s VAL 50 N 6.24 0.00 -0.20 0.89 -7.23 -1.20 -4.57 120.40 114.33 1yjj s VAL 50 Ca 0.70 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1yjj s VAL 50 Cb -0.17 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.27 1yjj s VAL 50 CO 0.32 0.00 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.68 1yjj s TYR 51 N -3.44 2.60 -0.09 2.82 2.02 0.31 -3.08 117.35 118.49 1yjj s TYR 51 Ca 0.36 -1.69 -0.23 0.00 -0.37 0.00 0.00 57.07 55.14 1yjj s TYR 51 Cb 0.02 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1yjj s TYR 51 CO 0.22 -0.77 0.67 0.08 -1.57 0.00 0.00 175.55 174.18 1yjj s VAL 52 N 1.34 5.06 -0.07 0.71 1.01 -1.26 0.25 120.40 127.43 1yjj s VAL 52 Ca -0.01 1.36 -0.37 0.00 0.00 0.00 0.00 61.98 62.96 1yjj s VAL 52 Cb -0.16 -4.00 -0.15 0.00 0.00 0.00 0.00 36.38 32.07 1yjj s VAL 52 CO -0.09 0.24 1.65 -3.20 0.00 0.00 0.00 175.10 173.70 1yjj n ASN 53 N 3.93 2.55 0.00 3.32 5.15 0.07 -4.67 115.26 125.60 1yjj n ASN 53 Ca -0.02 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.03 1yjj n ASN 53 Cb 0.51 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.51 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 4.62 0.00 0.12 1.20 0.28 -1.26 -0.78 120.64 124.82 1yjj n GLU 54 Ca 0.22 0.09 0.12 0.00 -0.16 0.00 0.00 57.16 57.43 1yjj n GLU 54 Cb 0.21 -1.67 0.18 0.00 1.43 0.00 0.00 31.44 31.58 1yjj n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yjj h ALA 55 N 0.70 0.76 -0.00 -1.84 0.00 -1.96 -3.33 119.26 113.59 1yjj h ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yjj h ALA 55 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1yjj h ALA 55 CO 0.00 0.00 -0.10 1.19 0.00 0.00 0.00 179.25 180.34 1yjj n PHE 56 N -2.55 0.00 -0.08 0.00 3.01 0.04 -4.54 117.46 113.33 1yjj n PHE 56 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.36 1yjj n PHE 56 Cb 0.49 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.91 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 0.49 1.31 -0.00 4.37 1.35 -1.65 0.28 112.91 119.06 1yjj h THR 57 Ca 0.00 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1yjj h THR 57 Cb 0.16 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1yjj h THR 57 CO 0.00 0.44 -0.02 -0.90 -0.25 0.00 0.00 175.52 174.79 1yjj n ASP 58 N -4.35 0.27 -0.12 5.36 5.75 -1.26 -3.69 116.55 118.50 1yjj n ASP 58 Ca -0.04 -0.80 -0.24 0.00 -0.01 0.00 0.00 54.79 53.70 1yjj n ASP 58 Cb 0.44 -0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.91 0.53 -1.99 0.11 5.02 -1.05 -4.95 118.16 114.92 1yjj n LYS 59 Ca 0.19 0.20 -0.33 0.00 -2.02 0.00 0.00 58.31 56.35 1yjj n LYS 59 Cb 0.20 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.45 3.41 -0.17 -0.18 0.11 0.96 -4.88 120.40 117.20 1yjj s VAL 60 Ca -0.33 0.72 -0.37 0.00 -2.93 0.00 0.00 61.98 59.06 1yjj s VAL 60 Cb 0.12 -3.24 -0.14 0.00 -1.53 0.00 0.00 36.38 31.59 1yjj s VAL 60 CO 0.46 -0.35 1.79 -0.81 -3.33 0.00 0.00 175.10 172.86 1yjj n PRO 61 N -1.99 1.63 -1.46 1.54 -0.04 -1.26 -4.81 135.00 128.61 1yjj n PRO 61 Ca 0.10 0.60 -0.57 0.00 -0.04 0.00 0.00 63.50 63.59 1yjj n PRO 61 Cb 0.52 -2.35 -0.08 0.00 -0.04 0.00 0.00 33.50 31.55 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 5.79 -3.45 -1.71 0.55 0.00 -1.26 -4.83 120.51 115.61 1yjj n ALA 62 Ca 0.24 0.57 -0.39 0.00 0.00 0.00 0.00 53.44 53.87 1yjj n ALA 62 Cb 0.21 -1.70 0.04 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 1.55 1.27 -2.11 0.00 0.00 -1.26 -4.99 120.51 114.98 1yjj n ALA 63 Ca 0.20 0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.50 1yjj n ALA 63 Cb 0.07 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.24 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 -0.87 6.04 0.00 0.00 4.22 -1.26 -4.94 114.94 118.12 1yjj s ASN 64 Ca 0.70 1.01 0.13 0.00 -2.14 0.00 0.00 52.86 52.55 1yjj s ASN 64 Cb -0.44 -2.15 0.77 0.00 1.28 0.00 0.00 41.25 40.71 1yjj s ASN 64 CO 0.51 -0.81 1.19 -1.84 -2.04 0.00 0.00 177.10 174.11 1yjj n GLU 65 N -2.50 0.47 0.11 3.55 0.28 -1.26 -2.94 120.64 118.35 1yjj n GLU 65 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.81 1yjj n GLU 65 Cb 0.56 -1.43 -0.15 0.00 1.43 0.00 0.00 31.44 31.85 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 0.42 0.01 3.44 2.47 -1.99 -3.34 114.38 115.40 1yjj h ARG 66 Ca 0.00 -0.72 -0.19 0.00 -1.26 0.00 0.00 59.98 57.80 1yjj h ARG 66 Cb 0.00 0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1yjj h ARG 66 CO 0.00 1.33 -0.90 1.05 0.56 0.00 0.00 179.97 182.02 1yjj h GLU 67 N 0.12 0.05 -0.96 0.04 4.11 -1.90 -3.23 114.58 112.81 1yjj h GLU 67 Ca -0.25 -0.07 0.15 0.00 0.07 0.00 0.00 59.36 59.26 1yjj h GLU 67 Cb 2.10 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 31.29 1yjj h GLU 67 CO 0.23 0.91 0.60 0.82 0.07 0.00 0.00 179.01 181.64 1yjj h ILE 68 N 0.03 0.83 -0.01 -1.06 2.04 -1.68 1.47 117.51 119.13 1yjj h ILE 68 Ca -0.02 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 1yjj h ILE 68 Cb 1.56 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1yjj h ILE 68 CO 0.12 0.15 -0.72 1.23 0.00 0.00 0.00 178.15 178.93 1yjj h GLY 69 N 0.80 0.11 1.52 5.37 0.00 -1.69 -2.87 103.07 106.30 1yjj h GLY 69 Ca 0.49 -0.16 -0.29 0.00 0.00 0.00 0.00 47.33 47.37 1yjj h GLY 69 CO -0.26 0.15 -1.33 -0.33 0.00 0.00 0.00 176.54 174.77 1yjj h MET 70 N 0.07 0.28 -0.18 4.80 2.86 -0.93 -3.21 114.93 118.62 1yjj h MET 70 Ca -0.02 -0.47 0.05 0.00 -2.06 0.00 0.00 59.70 57.20 1yjj h MET 70 Cb 1.28 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 1yjj h MET 70 CO 0.10 1.20 0.13 -0.07 1.06 0.00 0.00 176.91 179.33 1yjj h LEU 71 N 0.08 0.00 0.00 1.22 3.38 0.20 1.07 115.31 121.25 1yjj h LEU 71 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1yjj h LEU 71 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1yjj h LEU 71 CO 0.20 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.94 1yjj n GLU 72 N -4.46 0.76 -0.21 1.13 2.13 -1.09 -2.91 120.64 116.00 1yjj n GLU 72 Ca 0.01 0.01 0.07 0.00 0.66 0.00 0.00 57.16 57.91 1yjj n GLU 72 Cb 0.26 -1.50 0.18 0.00 0.27 0.00 0.00 31.44 30.66 1yjj n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yjj s VAL 74 N -1.02 2.38 -0.08 0.00 -7.23 -1.15 -4.91 120.40 108.39 1yjj s VAL 74 Ca 0.27 0.12 0.14 0.00 -1.81 0.00 0.00 61.98 60.71 1yjj s VAL 74 Cb 0.14 -2.87 -0.14 0.00 0.56 0.00 0.00 36.38 34.08 1yjj s VAL 74 CO 0.18 -0.16 0.93 0.74 -0.31 0.00 0.00 175.10 176.48 1yjj h THR 75 N -1.36 0.78 -5.17 5.32 2.02 -1.82 -3.47 112.91 109.21 1yjj h THR 75 Ca -0.49 -2.36 -0.33 0.00 0.77 0.00 0.00 66.41 64.00 1yjj h THR 75 Cb 1.31 2.28 0.05 0.00 -1.74 0.00 0.00 68.15 70.04 1yjj h THR 75 CO 0.61 0.44 0.04 0.00 0.37 0.00 0.00 175.52 176.98 1yjj n ALA 76 N -2.40 0.38 -2.06 6.16 0.00 -1.26 -5.04 120.51 116.28 1yjj n ALA 76 Ca -0.09 -1.40 -0.41 0.00 0.00 0.00 0.00 53.44 51.55 1yjj n ALA 76 Cb 0.89 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 20.58 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 -4.13 4.58 0.35 0.00 -6.30 -1.26 -5.02 118.70 106.92 1yjj s GLU 77 Ca 0.45 1.74 -0.16 0.00 -2.50 0.00 0.00 54.97 54.50 1yjj s GLU 77 Cb -0.03 -3.27 -0.09 0.00 0.00 0.00 0.00 34.13 30.74 1yjj s GLU 77 CO 0.29 0.05 0.79 -1.17 0.02 0.00 0.00 175.26 175.24 1yjj s LEU 78 N -0.35 4.02 0.22 2.70 2.96 -1.26 -5.07 118.68 121.89 1yjj s LEU 78 Ca 0.50 1.37 0.09 0.00 -0.22 0.00 0.00 54.13 55.87 1yjj s LEU 78 Cb -0.30 -4.19 -0.04 0.00 0.50 0.00 0.00 46.19 42.16 1yjj s LEU 78 CO 0.35 -0.25 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.58 1yjj s LYS 79 N -3.08 2.32 0.43 1.98 -0.14 -1.26 -4.98 119.74 115.02 1yjj s LYS 79 Ca 0.56 -1.27 0.10 0.00 -1.36 0.00 0.00 55.97 54.00 1yjj s LYS 79 Cb -0.10 -2.25 0.96 0.00 -1.68 0.00 0.00 37.83 34.76 1yjj s LYS 79 CO 0.17 0.41 2.05 -1.00 -0.76 0.00 0.00 175.35 176.21 1yjj h PRO 80 N 2.32 0.43 -0.48 -1.68 0.13 -2.04 -1.13 132.00 129.56 1yjj h PRO 80 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1yjj h PRO 80 Cb 1.23 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1yjj h PRO 80 CO 0.58 0.29 0.00 0.27 -0.23 0.00 0.00 178.00 178.91 1yjj n ASN 81 N -4.48 4.58 -4.76 1.44 6.94 -1.26 -5.00 115.26 112.72 1yjj n ASN 81 Ca 0.04 -2.71 -0.38 0.00 -0.02 0.00 0.00 54.58 51.51 1yjj n ASN 81 Cb 0.16 -0.56 0.02 0.00 -2.36 0.00 0.00 39.78 37.04 1yjj n ASN 81 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1yjj s SER 82 N -1.21 5.70 0.04 0.53 0.15 -0.43 -4.44 113.70 114.05 1yjj s SER 82 Ca 0.46 2.58 -0.16 0.00 0.70 0.00 0.00 55.95 59.54 1yjj s SER 82 Cb 0.34 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1yjj s SER 82 CO 0.16 -1.26 0.36 -0.13 1.20 0.00 0.00 173.24 173.57 1yjj s ARG 83 N -2.77 0.86 0.88 5.44 0.52 -1.18 -4.92 118.95 117.77 1yjj s ARG 83 Ca 0.67 -0.43 -0.12 0.00 -0.52 0.00 0.00 55.73 55.33 1yjj s ARG 83 Cb -0.36 0.38 0.12 0.00 0.52 0.00 0.00 34.95 35.61 1yjj s ARG 83 CO 0.43 -0.29 1.14 -0.51 0.02 0.00 0.00 175.30 176.09 1yjj s LEU 84 N -2.03 2.18 0.00 2.53 1.43 -1.26 -3.27 118.68 118.27 1yjj s LEU 84 Ca -0.05 0.96 0.14 0.00 -1.03 0.00 0.00 54.13 54.15 1yjj s LEU 84 Cb -0.01 -3.35 -0.06 0.00 0.03 0.00 0.00 46.19 42.80 1yjj s LEU 84 CO -0.03 -2.34 0.73 0.00 0.23 0.00 0.00 176.35 174.93 1yjj n GLN 87 N -2.93 2.68 -3.43 0.00 10.64 -1.26 -4.75 117.38 118.33 1yjj n GLN 87 Ca -0.23 -1.97 -0.39 0.00 -1.83 0.00 0.00 57.00 52.58 1yjj n GLN 87 Cb 1.09 -1.60 -0.09 0.00 -0.86 0.00 0.00 30.24 28.78 1yjj n GLN 87 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1yjj s ILE 88 N -1.60 5.20 -0.28 -0.39 -1.09 -1.26 -5.01 121.20 116.76 1yjj s ILE 88 Ca 0.36 0.37 -0.12 0.00 -2.23 0.00 0.00 60.65 59.03 1yjj s ILE 88 Cb 0.21 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 37.35 1yjj s ILE 88 CO 0.20 0.11 0.22 -0.63 -1.23 0.00 0.00 174.94 173.61 1yjj s ILE 89 N 2.01 5.29 0.65 2.92 1.09 -1.26 -2.82 121.20 129.06 1yjj s ILE 89 Ca 0.13 0.20 -0.13 0.00 -1.10 0.00 0.00 60.65 59.75 1yjj s ILE 89 Cb -0.16 -3.57 -0.02 0.00 -1.06 0.00 0.00 42.46 37.65 1yjj s ILE 89 CO 0.11 0.21 1.05 -0.32 -0.10 0.00 0.00 174.94 175.89 1yjj s MET 90 N 1.81 3.17 -0.01 2.79 1.75 -0.62 -4.80 119.30 123.39 1yjj s MET 90 Ca 0.08 1.02 -0.22 0.00 -1.25 0.00 0.00 55.69 55.33 1yjj s MET 90 Cb -0.16 -2.02 0.04 0.00 2.84 0.00 0.00 34.83 35.53 1yjj s MET 90 CO 0.11 -0.92 0.48 0.95 -0.65 0.00 0.00 175.02 174.99 1yjj s THR 91 N -2.84 0.03 0.19 10.11 -4.23 -1.26 -2.04 115.64 115.61 1yjj s THR 91 Ca 0.60 -0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 1yjj s THR 91 Cb -0.14 -0.84 0.10 0.00 1.34 0.00 0.00 72.50 72.96 1yjj s THR 91 CO 0.47 -0.16 1.77 1.55 -0.54 0.00 0.00 174.62 177.72 1yjj h PRO 92 N 3.31 0.47 -0.42 3.99 0.13 -1.94 -1.10 132.00 136.43 1yjj h PRO 92 Ca -0.29 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 64.90 1yjj h PRO 92 Cb 1.17 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1yjj h PRO 92 CO 0.40 0.31 0.29 1.05 -0.23 0.00 0.00 178.00 179.83 1yjj h GLU 93 N 0.48 0.19 -0.47 0.86 4.11 -2.02 0.34 114.58 118.07 1yjj h GLU 93 Ca 0.25 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1yjj h GLU 93 Cb 0.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1yjj h GLU 93 CO -0.20 0.13 0.00 1.28 0.07 0.00 0.00 179.01 180.28 1yjj n LEU 94 N -4.46 2.32 -4.74 3.06 4.77 -0.44 -4.93 117.00 112.57 1yjj n LEU 94 Ca 0.06 -1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 54.46 1yjj n LEU 94 Cb 0.35 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1yjj n LEU 94 CO 0.35 0.48 1.05 -0.90 -1.33 0.00 0.00 177.39 177.04 1yjj n ASP 95 N 0.52 3.35 0.00 -1.43 5.75 0.12 -2.84 116.55 122.02 1yjj n ASP 95 Ca 0.13 1.21 0.00 0.00 -0.01 0.00 0.00 54.79 56.12 1yjj n ASP 95 Cb 0.41 -1.56 0.00 0.00 -1.03 0.00 0.00 41.12 38.94 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 0.83 0.56 3.72 6.12 0.00 0.23 -4.72 105.19 111.93 1yjj n GLY 96 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.52 2.04 -3.83 -0.61 0.00 -1.07 -4.73 119.36 109.65 1yjj n ILE 97 Ca 0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 62.75 61.89 1yjj n ILE 97 Cb 0.00 -1.67 -0.13 0.00 0.00 0.00 0.00 39.64 37.83 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 -1.11 3.77 -0.21 9.51 1.01 -1.26 -0.66 120.40 131.45 1yjj s VAL 98 Ca 0.55 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 1yjj s VAL 98 Cb -0.54 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1yjj s VAL 98 CO 0.62 0.29 0.10 -0.69 0.00 0.00 0.00 175.10 175.42 1yjj s VAL 99 N 1.51 4.94 -0.29 2.92 1.01 0.14 -0.75 120.40 129.89 1yjj s VAL 99 Ca 0.05 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 1yjj s VAL 99 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1yjj s VAL 99 CO 0.00 0.40 0.17 -1.81 0.00 0.00 0.00 175.10 173.87 1yjj s ASP 100 N 0.79 5.80 -0.17 3.32 1.11 0.69 0.81 116.67 129.02 1yjj s ASP 100 Ca 0.05 -0.20 -0.06 0.00 0.18 0.00 0.00 52.55 52.52 1yjj s ASP 100 Cb -0.13 -2.07 -0.04 0.00 1.07 0.00 0.00 42.92 41.75 1yjj s ASP 100 CO 0.02 -0.10 0.05 -0.69 1.18 0.00 0.00 175.17 175.63 1yjj s VAL 101 N 1.71 4.70 0.43 -1.27 1.01 0.17 0.11 120.40 127.26 1yjj s VAL 101 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1yjj s VAL 101 Cb -0.16 -3.10 0.10 0.00 0.00 0.00 0.00 36.38 33.22 1yjj s VAL 101 CO 0.09 0.49 0.59 -0.81 0.00 0.00 0.00 175.10 175.46 1yjj n PRO 102 N 3.28 -0.42 0.13 2.72 -0.04 -1.26 -3.00 135.00 136.40 1yjj n PRO 102 Ca -0.17 -1.02 0.12 0.00 -0.04 0.00 0.00 63.50 62.39 1yjj n PRO 102 Cb 0.53 -0.57 0.18 0.00 -0.04 0.00 0.00 33.50 33.60 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 -0.70 0.00 -3.22 3.54 1.82 -1.96 -3.41 116.42 112.49 1yjj h ASP 103 Ca -0.19 -0.06 -0.55 0.00 -0.39 0.00 0.00 57.03 55.84 1yjj h ASP 103 Cb 0.55 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 40.19 1yjj h ASP 103 CO 0.15 0.03 -0.80 -0.13 -1.61 0.00 0.00 179.24 176.87 1yjj s ARG 104 N -3.21 1.63 -0.00 0.28 0.52 -1.26 -4.96 118.95 111.95 1yjj s ARG 104 Ca 0.06 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1yjj s ARG 104 Cb 0.10 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 1yjj s ARG 104 CO 0.70 -0.31 0.11 0.94 0.02 0.00 0.00 175.30 176.75 1yjj n GLN 105 N 4.89 3.64 0.00 3.54 7.27 -1.26 -4.11 117.38 131.35 1yjj n GLN 105 Ca -0.13 -0.01 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1yjj n GLN 105 Cb 0.49 -0.82 0.00 0.00 2.41 0.00 0.00 30.24 32.32 1yjj n GLN 105 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00