#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yji s LYS 2 N 0.00 3.67 -0.30 4.33 3.01 -1.26 -2.10 119.74 127.08 1yji s LYS 2 Ca 0.00 0.92 -0.04 0.00 -1.01 0.00 0.00 55.97 55.84 1yji s LYS 2 Cb 0.00 -3.97 0.03 0.00 -1.01 0.00 0.00 37.83 32.88 1yji s LYS 2 CO 0.00 -1.45 0.04 0.08 0.51 0.00 0.00 175.35 174.53 1yji s VAL 3 N 5.05 3.41 -0.58 3.17 1.01 -1.10 -0.94 120.40 130.41 1yji s VAL 3 Ca 0.58 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1yji s VAL 3 Cb -0.13 -2.87 0.13 0.00 0.00 0.00 0.00 36.38 33.52 1yji s VAL 3 CO 0.31 -0.04 0.57 -0.69 0.00 0.00 0.00 175.10 175.25 1yji s VAL 4 N 1.36 5.17 -0.34 2.92 1.01 -0.24 -0.67 120.40 129.62 1yji s VAL 4 Ca -0.02 -1.51 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1yji s VAL 4 Cb -0.19 -4.39 -0.00 0.00 0.00 0.00 0.00 36.38 31.80 1yji s VAL 4 CO 0.00 -0.94 1.50 -0.31 0.00 0.00 0.00 175.10 175.35 1yji s TYR 5 N 1.67 2.30 -0.31 5.22 1.51 0.39 -0.86 117.35 127.27 1yji s TYR 5 Ca 0.06 0.68 -0.13 0.00 -1.01 0.00 0.00 57.07 56.67 1yji s TYR 5 Cb -0.27 -4.14 -0.03 0.00 -0.11 0.00 0.00 41.96 37.41 1yji s TYR 5 CO 0.02 -2.28 0.26 0.08 -1.11 0.00 0.00 175.55 172.52 1yji s VAL 6 N 5.44 5.26 0.00 0.71 1.01 0.39 -1.80 120.40 131.41 1yji s VAL 6 Ca 0.65 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1yji s VAL 6 Cb -0.18 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1yji s VAL 6 CO 0.30 0.11 0.00 -1.54 0.00 0.00 0.00 175.10 173.97 1yji n SER 7 N 5.17 0.00 -0.11 3.32 3.41 0.76 -0.60 113.62 125.57 1yji n SER 7 Ca -0.12 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.26 1yji n SER 7 Cb 0.51 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 1yji n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yji n HIS 8 N -0.18 0.85 0.60 7.33 1.44 -1.23 -4.01 115.22 120.03 1yji n HIS 8 Ca 0.00 0.37 0.04 0.00 -2.01 0.00 0.00 57.72 56.12 1yji n HIS 8 Cb 0.00 -1.08 0.23 0.00 0.12 0.00 0.00 29.99 29.26 1yji n HIS 8 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1yji n ASP 9 N -4.41 0.00 0.00 4.39 5.75 -1.26 -4.74 116.55 116.28 1yji n ASP 9 Ca -0.35 -0.36 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1yji n ASP 9 Cb 0.71 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 1yji n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yji n GLY 10 N -0.36 0.54 3.70 6.12 0.00 -1.26 -5.03 105.19 108.90 1yji n GLY 10 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1yji n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yji s THR 11 N -2.24 2.67 0.28 2.61 2.01 -1.26 -4.69 115.64 115.01 1yji s THR 11 Ca 0.00 0.27 0.09 0.00 0.31 0.00 0.00 61.69 62.36 1yji s THR 11 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1yji s THR 11 CO 0.00 0.01 0.04 -0.13 -0.69 0.00 0.00 174.62 173.85 1yji s ARG 12 N 2.26 2.37 -0.17 4.92 0.52 -1.26 -0.17 118.95 127.41 1yji s ARG 12 Ca 0.76 -1.41 -0.05 0.00 -0.52 0.00 0.00 55.73 54.50 1yji s ARG 12 Cb -0.44 -2.20 0.08 0.00 0.52 0.00 0.00 34.95 32.92 1yji s ARG 12 CO 0.34 0.31 0.34 0.50 0.02 0.00 0.00 175.30 176.81 1yji s ARG 13 N -3.73 0.25 -0.21 3.54 3.52 -0.75 -4.95 118.95 116.62 1yji s ARG 13 Ca 0.33 0.84 -0.11 0.00 -0.13 0.00 0.00 55.73 56.66 1yji s ARG 13 Cb -0.06 0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 1yji s ARG 13 CO 0.21 -0.32 0.16 -1.21 -0.81 0.00 0.00 175.30 173.34 1yji s GLU 14 N 2.52 4.15 0.00 5.12 2.02 -1.26 -0.46 118.70 130.80 1yji s GLU 14 Ca 0.01 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1yji s GLU 14 Cb -0.12 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.64 1yji s GLU 14 CO -0.11 0.20 0.00 1.28 0.02 0.00 0.00 175.26 176.64 1yji n LEU 15 N 3.84 0.00 -3.60 1.80 4.77 0.16 -4.90 117.00 119.07 1yji n LEU 15 Ca -0.15 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.54 1yji n LEU 15 Cb 0.52 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1yji n LEU 15 CO 0.37 -0.03 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.44 1yji s ASP 16 N -0.21 3.47 -0.29 -1.43 2.15 -1.25 -2.71 116.67 116.40 1yji s ASP 16 Ca 0.00 -1.26 -0.09 0.00 0.43 0.00 0.00 52.55 51.63 1yji s ASP 16 Cb 0.00 -0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 42.15 1yji s ASP 16 CO 0.00 -0.42 0.13 -0.69 -0.17 0.00 0.00 175.17 174.02 1yji s VAL 17 N 1.99 4.54 1.13 1.11 1.01 -0.89 -4.77 120.40 124.53 1yji s VAL 17 Ca 0.08 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 1yji s VAL 17 Cb -0.16 -3.26 0.27 0.00 0.00 0.00 0.00 36.38 33.23 1yji s VAL 17 CO -0.30 0.15 1.23 0.00 0.00 0.00 0.00 175.10 176.19 1yji s ALA 18 N 1.62 1.30 0.23 5.51 0.00 -1.26 -2.22 121.76 126.94 1yji s ALA 18 Ca 0.05 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1yji s ALA 18 Cb -0.16 -2.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 1yji s ALA 18 CO 0.06 -3.22 1.44 0.16 0.00 0.00 0.00 175.76 174.19 1yji s ASP 19 N -4.47 6.68 0.00 0.00 1.47 -1.25 -2.34 116.67 116.76 1yji s ASP 19 Ca 0.74 2.61 0.00 0.00 1.18 0.00 0.00 52.55 57.09 1yji s ASP 19 Cb -0.05 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.92 1yji s ASP 19 CO 0.55 -0.69 0.00 0.61 0.68 0.00 0.00 175.17 176.31 1yji n GLY 20 N 2.46 2.92 3.77 2.12 0.00 -1.16 -4.99 105.19 110.32 1yji n GLY 20 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1yji n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yji s VAL 21 N -1.95 4.36 -0.00 1.61 1.01 -0.99 -4.82 120.40 119.61 1yji s VAL 21 Ca 0.00 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.60 1yji s VAL 21 Cb 0.00 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1yji s VAL 21 CO 0.00 0.51 0.35 -0.94 0.00 0.00 0.00 175.10 175.02 1yji s SER 22 N -1.08 6.69 0.47 3.32 1.04 -1.25 -1.23 113.70 121.66 1yji s SER 22 Ca 0.36 0.82 0.30 0.00 0.48 0.00 0.00 55.95 57.92 1yji s SER 22 Cb -0.23 -2.20 1.39 0.00 0.10 0.00 0.00 66.02 65.08 1yji s SER 22 CO 0.27 0.31 1.72 -0.07 0.98 0.00 0.00 173.24 176.44 1yji h LEU 23 N 4.52 0.22 -1.24 2.42 3.38 -1.72 2.05 115.31 124.93 1yji h LEU 23 Ca -0.52 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 1yji h LEU 23 Cb 1.22 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1yji h LEU 23 CO 0.62 -0.03 -0.36 -0.03 0.09 0.00 0.00 178.44 178.73 1yji h MET 24 N 0.15 0.00 0.13 1.13 4.05 -1.88 -1.57 114.93 116.94 1yji h MET 24 Ca 0.69 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.10 1yji h MET 24 Cb 2.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 33.06 1yji h MET 24 CO -0.22 0.36 -0.06 0.37 0.23 0.00 0.00 176.91 177.59 1yji h GLN 25 N 0.00 -0.17 -0.11 0.39 5.75 0.30 -3.28 115.11 117.99 1yji h GLN 25 Ca -0.00 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1yji h GLN 25 Cb 0.70 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 1yji h GLN 25 CO 0.05 -0.11 0.16 0.00 -2.65 0.00 0.00 178.83 176.28 1yji h ALA 26 N -1.32 1.60 0.00 3.38 0.00 -1.52 0.16 119.26 121.56 1yji h ALA 26 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yji h ALA 26 Cb 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1yji h ALA 26 CO 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.03 1yji h ALA 27 N 1.79 1.17 0.00 0.00 0.00 -1.34 -0.02 119.26 120.86 1yji h ALA 27 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yji h ALA 27 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1yji h ALA 27 CO -0.00 0.04 -0.56 0.28 0.00 0.00 0.00 179.25 179.01 1yji h VAL 28 N 0.00 0.00 0.01 0.00 2.07 -0.75 0.43 116.25 118.00 1yji h VAL 28 Ca -0.00 -0.79 -0.26 0.00 0.82 0.00 0.00 66.70 66.47 1yji h VAL 28 Cb 0.17 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1yji h VAL 28 CO 0.00 0.00 -1.43 -1.28 0.02 0.00 0.00 177.57 174.89 1yji h SER 29 N 0.00 0.02 -0.52 0.57 0.87 -1.04 -3.26 113.55 110.18 1yji h SER 29 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1yji h SER 29 Cb 0.90 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1yji h SER 29 CO 0.00 1.03 0.00 0.59 -0.53 0.00 0.00 176.83 177.92 1yji n ASN 30 N -3.18 2.94 -2.78 6.23 3.02 -0.89 -4.95 115.26 115.65 1yji n ASN 30 Ca -0.10 -2.04 -0.00 0.00 -0.03 0.00 0.00 54.58 52.40 1yji n ASN 30 Cb 1.01 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1yji n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yji n GLY 31 N 1.29 -1.07 3.02 7.41 0.00 -1.21 -5.03 105.19 109.60 1yji n GLY 31 Ca 0.18 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 1yji n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yji s ILE 32 N -2.99 1.52 0.00 -0.61 1.01 0.14 -5.00 121.20 115.27 1yji s ILE 32 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1yji s ILE 32 Cb -0.00 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 41.05 1yji s ILE 32 CO 0.61 0.45 0.19 0.00 0.00 0.00 0.00 174.94 176.19 1yji n TYR 33 N 4.61 0.00 0.02 3.97 9.36 -1.26 -3.86 117.16 129.99 1yji n TYR 33 Ca -0.17 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.12 1yji n TYR 33 Cb 0.50 -0.24 -0.11 0.00 -0.63 0.00 0.00 39.34 38.86 1yji n TYR 33 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1yji n ASP 34 N 2.06 0.32 -3.12 2.98 5.68 -1.26 -4.96 116.55 118.25 1yji n ASP 34 Ca 0.00 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1yji n ASP 34 Cb 0.00 1.28 0.00 0.00 -1.14 0.00 0.00 41.12 41.26 1yji n ASP 34 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yji n ILE 35 N -2.49 0.00 -2.63 2.12 3.06 -1.25 -4.74 119.36 113.43 1yji n ILE 35 Ca -0.07 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.13 1yji n ILE 35 Cb 0.66 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.79 1yji n ILE 35 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1yji n VAL 36 N -2.10-12.40 -3.95 9.51 0.31 -1.26 -5.07 118.33 103.37 1yji n VAL 36 Ca 0.00 2.67 -0.09 0.00 -0.01 0.00 0.00 64.34 66.92 1yji n VAL 36 Cb 0.00 -6.38 -0.04 0.00 -0.91 0.00 0.00 33.84 26.51 1yji n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yji s GLY 37 N -0.64 0.33 -0.03 2.92 0.00 -1.26 -4.96 107.32 103.68 1yji s GLY 37 Ca -0.28 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 1yji s GLY 37 CO 0.76 -0.46 -0.03 -0.55 0.00 0.00 0.00 173.10 172.82 1yji h ASP 38 N 2.18 0.00 0.00 1.64 5.19 -1.97 -3.35 116.42 120.11 1yji h ASP 38 Ca -0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1yji h ASP 38 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1yji h ASP 38 CO 0.32 0.14 0.00 0.00 -3.12 0.00 0.00 179.24 176.58 1yji n GLY 40 N 0.20 0.54 0.89 0.00 0.00 -1.26 0.26 105.19 105.82 1yji n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1yji n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yji n GLY 41 N 0.14 0.79 1.98 -0.02 0.00 -1.26 -4.96 105.19 101.86 1yji n GLY 41 Ca -0.06 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1yji n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yji n SER 42 N 0.89 5.59 -3.62 1.61 7.64 0.73 -4.63 113.62 121.83 1yji n SER 42 Ca 0.00 -3.26 -0.20 0.00 1.01 0.00 0.00 58.87 56.42 1yji n SER 42 Cb 0.03 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1yji n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yji n ALA 43 N -0.36 -2.73 -1.88 -0.43 0.00 -1.26 -4.89 120.51 108.96 1yji n ALA 43 Ca 0.43 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 1yji n ALA 43 Cb 0.89 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 1yji n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yji n SER 44 N -2.31 -0.55 0.00 0.00 7.64 -1.26 -4.95 113.62 112.19 1yji n SER 44 Ca -0.24 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.27 1yji n SER 44 Cb 0.65 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1yji n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yji n ALA 46 N -3.00 0.87 -0.14 0.00 0.00 -1.26 -4.73 120.51 112.24 1yji n ALA 46 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.10 1yji n ALA 46 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1yji n ALA 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yji h THR 47 N 1.23 0.44 0.00 0.00 1.35 -1.79 -1.66 112.91 112.49 1yji h THR 47 Ca 0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.58 1yji h THR 47 Cb 0.54 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 1yji h THR 47 CO 0.00 0.00 1.37 0.00 -0.25 0.00 0.00 175.52 176.64 1yji s HIS 49 N 2.35 2.38 0.08 0.00 5.04 -0.63 -2.12 115.29 122.40 1yji s HIS 49 Ca 0.46 0.52 -0.05 0.00 -1.54 0.00 0.00 55.06 54.45 1yji s HIS 49 Cb 0.17 -4.40 -0.02 0.00 0.04 0.00 0.00 32.58 28.37 1yji s HIS 49 CO -0.02 -1.89 0.10 0.14 -2.34 0.00 0.00 174.74 170.74 1yji s VAL 50 N 5.71 0.16 -0.33 0.89 -7.23 -1.21 -4.51 120.40 113.89 1yji s VAL 50 Ca 0.53 -1.49 -0.07 0.00 -1.81 0.00 0.00 61.98 59.14 1yji s VAL 50 Cb -0.11 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 35.36 1yji s VAL 50 CO 0.27 -0.74 0.11 -0.31 -0.31 0.00 0.00 175.10 174.12 1yji s TYR 51 N -3.91 3.22 0.00 2.82 2.02 0.38 -2.88 117.35 119.01 1yji s TYR 51 Ca 0.08 -1.23 -0.24 0.00 -0.37 0.00 0.00 57.07 55.31 1yji s TYR 51 Cb 0.06 -2.29 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 1yji s TYR 51 CO -0.09 -0.67 0.72 0.08 -1.57 0.00 0.00 175.55 174.02 1yji s VAL 52 N 1.45 4.85 0.00 0.71 1.01 -1.26 0.20 120.40 127.37 1yji s VAL 52 Ca 0.00 1.51 -0.37 0.00 0.00 0.00 0.00 61.98 63.12 1yji s VAL 52 Cb -0.19 -4.06 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 1yji s VAL 52 CO 0.03 0.34 1.44 0.59 0.00 0.00 0.00 175.10 177.50 1yji n ASN 53 N 3.08 1.83 0.00 3.32 4.13 0.27 -4.68 115.26 123.21 1yji n ASN 53 Ca -0.03 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.34 1yji n ASN 53 Cb 0.51 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 1yji n ASN 53 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1yji n GLU 54 N 3.20 0.00 0.00 3.52 0.28 -1.26 -1.14 120.64 125.24 1yji n GLU 54 Ca 0.20 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.31 1yji n GLU 54 Cb 0.18 -1.04 -0.14 0.00 1.43 0.00 0.00 31.44 31.87 1yji n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yji n ALA 55 N -0.45 3.28 0.22 -1.84 0.00 -1.26 -4.30 120.51 116.15 1yji n ALA 55 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 52.95 1yji n ALA 55 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 1yji n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1yji n PHE 56 N -2.09 0.00 -0.04 0.00 3.01 -0.29 -4.59 117.46 113.46 1yji n PHE 56 Ca -0.02 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.28 1yji n PHE 56 Cb 0.51 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.90 1yji n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1yji h THR 57 N 0.54 1.32 -0.31 4.37 1.35 -1.73 -1.22 112.91 117.24 1yji h THR 57 Ca 0.00 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1yji h THR 57 Cb 0.17 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1yji h THR 57 CO 0.00 0.57 0.00 -0.90 -0.25 0.00 0.00 175.52 174.94 1yji n ASP 58 N -4.11 2.61 0.00 5.36 5.75 -1.26 -3.92 116.55 120.97 1yji n ASP 58 Ca -0.07 -2.24 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1yji n ASP 58 Cb 0.64 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1yji n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yji n LYS 59 N 0.40 0.00 -1.96 0.11 5.02 -1.16 -5.03 118.16 115.54 1yji n LYS 59 Ca 0.12 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 1yji n LYS 59 Cb 0.51 -0.91 0.01 0.00 -0.02 0.00 0.00 35.03 34.61 1yji n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1yji s VAL 60 N -1.92 4.51 -0.65 -0.18 0.11 -0.47 -4.87 120.40 116.92 1yji s VAL 60 Ca 0.00 0.93 -0.31 0.00 -2.93 0.00 0.00 61.98 59.67 1yji s VAL 60 Cb 0.00 -3.73 -0.14 0.00 -1.53 0.00 0.00 36.38 30.98 1yji s VAL 60 CO 0.00 -0.95 2.46 -0.81 -3.33 0.00 0.00 175.10 172.47 1yji n PRO 61 N -2.48 0.61 -2.34 1.54 -0.04 -1.26 -4.86 135.00 126.16 1yji n PRO 61 Ca 0.07 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.19 1yji n PRO 61 Cb 0.54 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1yji n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yji s ALA 62 N 9.62 2.59 1.09 0.55 0.00 -1.26 -4.93 121.76 129.43 1yji s ALA 62 Ca 1.16 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 1yji s ALA 62 Cb -0.80 -4.22 0.24 0.00 0.00 0.00 0.00 23.12 18.34 1yji s ALA 62 CO 0.42 -3.36 1.06 0.00 0.00 0.00 0.00 175.76 173.87 1yji s ALA 63 N 6.86 0.15 1.35 0.00 0.00 -1.26 -5.01 121.76 123.85 1yji s ALA 63 Ca 0.50 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.00 1yji s ALA 63 Cb -0.10 -3.18 0.34 0.00 0.00 0.00 0.00 23.12 20.18 1yji s ALA 63 CO 0.20 -3.41 0.98 0.54 0.00 0.00 0.00 175.76 174.07 1yji s ASN 64 N -2.96 -0.45 0.00 0.00 2.20 -1.26 -4.86 114.94 107.61 1yji s ASN 64 Ca 0.67 0.87 0.09 0.00 -0.94 0.00 0.00 52.86 53.55 1yji s ASN 64 Cb -0.22 -1.25 0.54 0.00 -2.00 0.00 0.00 41.25 38.33 1yji s ASN 64 CO 0.61 -4.99 1.05 -1.84 -2.94 0.00 0.00 177.10 168.99 1yji n GLU 65 N -5.38 0.61 -0.03 3.55 0.28 -1.26 -3.55 120.64 114.86 1yji n GLU 65 Ca 0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.99 1yji n GLU 65 Cb 0.59 -1.23 -0.11 0.00 1.43 0.00 0.00 31.44 32.12 1yji n GLU 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yji h ARG 66 N 0.00 -0.02 0.00 3.44 3.08 -2.02 -2.99 114.38 115.87 1yji h ARG 66 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yji h ARG 66 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1yji h ARG 66 CO 0.00 0.66 0.00 0.93 -1.07 0.00 0.00 179.97 180.49 1yji h GLU 67 N -0.73 0.00 -0.01 0.04 5.08 -1.93 -2.02 114.58 115.02 1yji h GLU 67 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1yji h GLU 67 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1yji h GLU 67 CO 0.00 0.00 -0.89 0.82 -1.00 0.00 0.00 179.01 177.94 1yji h ILE 68 N 0.00 1.42 -0.01 3.13 5.03 -1.69 -3.02 117.51 122.37 1yji h ILE 68 Ca 0.00 -2.44 0.00 0.00 -0.12 0.00 0.00 64.86 62.30 1yji h ILE 68 Cb 0.23 2.38 -0.00 0.00 -3.03 0.00 0.00 36.82 36.40 1yji h ILE 68 CO 0.00 0.72 0.06 1.23 -0.68 0.00 0.00 178.15 179.48 1yji h GLY 69 N 1.39 0.00 1.32 5.37 0.00 -1.22 0.14 103.07 110.07 1yji h GLY 69 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.97 1yji h GLY 69 CO 0.15 0.00 -1.47 -0.33 0.00 0.00 0.00 176.54 174.89 1yji h MET 70 N 0.00 0.25 0.00 4.80 2.86 -1.65 -3.13 114.93 118.06 1yji h MET 70 Ca 0.00 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.21 1yji h MET 70 Cb 0.12 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1yji h MET 70 CO -0.00 1.12 -0.04 -0.07 1.06 0.00 0.00 176.91 178.98 1yji h LEU 71 N 0.07 0.00 -0.69 1.22 3.38 -0.74 0.31 115.31 118.85 1yji h LEU 71 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1yji h LEU 71 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1yji h LEU 71 CO 0.17 0.04 0.00 1.21 0.09 0.00 0.00 178.44 179.95 1yji n GLU 72 N -3.33 1.40 -0.96 1.13 4.07 -0.79 -3.41 120.64 118.76 1yji n GLU 72 Ca -0.02 -0.53 0.05 0.00 -0.06 0.00 0.00 57.16 56.60 1yji n GLU 72 Cb 0.17 -1.20 0.10 0.00 -0.06 0.00 0.00 31.44 30.45 1yji n GLU 72 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1yji s VAL 74 N -1.39 4.31 -1.21 0.00 -7.23 -1.22 -4.96 120.40 108.70 1yji s VAL 74 Ca 0.32 -0.26 0.21 0.00 -1.81 0.00 0.00 61.98 60.44 1yji s VAL 74 Cb 0.33 -3.62 -0.17 0.00 0.56 0.00 0.00 36.38 33.49 1yji s VAL 74 CO -0.10 -0.50 0.91 0.41 -0.31 0.00 0.00 175.10 175.51 1yji n THR 75 N -2.16 0.00 -3.66 5.32 -1.04 -1.26 -4.98 114.28 106.49 1yji n THR 75 Ca 0.01 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.70 1yji n THR 75 Cb 0.57 1.06 -0.01 0.00 -1.82 0.00 0.00 70.33 70.13 1yji n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yji s ALA 76 N -2.79 4.32 -0.27 2.41 0.00 -1.26 -5.03 121.76 119.12 1yji s ALA 76 Ca 0.10 -1.63 -0.28 0.00 0.00 0.00 0.00 51.96 50.15 1yji s ALA 76 Cb 0.16 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1yji s ALA 76 CO 0.77 -0.42 2.17 -2.00 0.00 0.00 0.00 175.76 176.28 1yji s GLU 77 N -4.27 3.03 0.65 0.00 2.12 -1.26 -4.95 118.70 114.01 1yji s GLU 77 Ca 0.43 1.84 -0.14 0.00 0.36 0.00 0.00 54.97 57.47 1yji s GLU 77 Cb -0.03 -4.37 -0.01 0.00 0.26 0.00 0.00 34.13 29.98 1yji s GLU 77 CO 0.26 -2.22 1.07 -1.17 -0.54 0.00 0.00 175.26 172.66 1yji s LEU 78 N 8.58 3.33 0.21 2.70 2.96 -1.26 -5.05 118.68 130.15 1yji s LEU 78 Ca 0.97 1.81 0.11 0.00 -0.22 0.00 0.00 54.13 56.79 1yji s LEU 78 Cb -0.29 -4.53 -0.04 0.00 0.50 0.00 0.00 46.19 41.83 1yji s LEU 78 CO 0.34 -1.44 -0.18 -0.54 -1.32 0.00 0.00 176.35 173.21 1yji s LYS 79 N -4.41 1.75 0.59 1.98 -0.14 -1.26 -4.99 119.74 113.26 1yji s LYS 79 Ca 0.63 -1.50 0.32 0.00 -1.36 0.00 0.00 55.97 54.06 1yji s LYS 79 Cb -0.17 -1.94 1.86 0.00 -1.68 0.00 0.00 37.83 35.90 1yji s LYS 79 CO 0.44 0.39 2.24 -1.00 -0.76 0.00 0.00 175.35 176.67 1yji h PRO 80 N 2.86 0.00 -0.23 -1.68 0.13 -2.02 -1.17 132.00 129.89 1yji h PRO 80 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1yji h PRO 80 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1yji h PRO 80 CO 0.53 0.02 -0.01 0.27 -0.23 0.00 0.00 178.00 178.57 1yji n ASN 81 N -3.68 3.38 -4.43 1.44 0.23 -1.26 -5.05 115.26 105.90 1yji n ASN 81 Ca -0.03 -3.17 -0.34 0.00 -0.53 0.00 0.00 54.58 50.52 1yji n ASN 81 Cb 0.11 -0.54 0.11 0.00 -2.08 0.00 0.00 39.78 37.37 1yji n ASN 81 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1yji n SER 82 N -0.78 -1.85 -3.61 0.53 7.64 -0.44 -4.39 113.62 110.73 1yji n SER 82 Ca 0.23 0.40 -0.16 0.00 1.01 0.00 0.00 58.87 60.35 1yji n SER 82 Cb 0.88 -1.21 -0.07 0.00 -1.01 0.00 0.00 64.21 62.80 1yji n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1yji s ARG 83 N -3.39 0.89 -0.21 1.43 1.81 -1.14 -4.93 118.95 113.41 1yji s ARG 83 Ca 0.59 0.24 -0.24 0.00 -1.72 0.00 0.00 55.73 54.60 1yji s ARG 83 Cb -0.25 0.42 -0.01 0.00 -0.45 0.00 0.00 34.95 34.66 1yji s ARG 83 CO 0.65 -0.25 0.80 -0.51 -0.68 0.00 0.00 175.30 175.31 1yji s LEU 84 N -0.96 4.12 0.00 2.53 2.01 -1.26 -3.29 118.68 121.84 1yji s LEU 84 Ca -0.10 1.04 0.16 0.00 0.01 0.00 0.00 54.13 55.25 1yji s LEU 84 Cb -0.02 -3.15 0.83 0.00 0.01 0.00 0.00 46.19 43.86 1yji s LEU 84 CO 0.07 -0.44 1.46 0.00 1.01 0.00 0.00 176.35 178.45 1yji n GLN 87 N -3.29 1.66 -4.17 0.00 -0.00 -1.22 -4.84 117.38 105.52 1yji n GLN 87 Ca -0.34 -0.76 -0.31 0.00 -0.00 0.00 0.00 57.00 55.59 1yji n GLN 87 Cb 1.04 -1.50 -0.08 0.00 -0.00 0.00 0.00 30.24 29.70 1yji n GLN 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1yji s ILE 88 N -1.14 4.12 -0.10 -0.39 1.01 -1.25 -4.92 121.20 118.52 1yji s ILE 88 Ca 0.14 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1yji s ILE 88 Cb 0.11 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1yji s ILE 88 CO 0.03 0.20 -0.12 -0.63 0.00 0.00 0.00 174.94 174.43 1yji s ILE 89 N -1.25 1.24 0.42 2.92 -1.09 -1.26 -3.88 121.20 118.29 1yji s ILE 89 Ca 0.24 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1yji s ILE 89 Cb -0.12 -1.17 -0.03 0.00 -1.58 0.00 0.00 42.46 39.56 1yji s ILE 89 CO 0.16 0.39 0.67 -0.32 -1.23 0.00 0.00 174.94 174.62 1yji s MET 90 N 1.19 3.43 -0.04 2.79 1.75 -0.36 -4.75 119.30 123.30 1yji s MET 90 Ca -0.04 -0.13 -0.14 0.00 -1.25 0.00 0.00 55.69 54.13 1yji s MET 90 Cb -0.14 -2.52 0.02 0.00 2.84 0.00 0.00 34.83 35.03 1yji s MET 90 CO -0.03 -0.08 0.31 0.95 -0.65 0.00 0.00 175.02 175.52 1yji s THR 91 N -2.54 0.04 0.53 10.11 -4.23 -1.26 -2.97 115.64 115.32 1yji s THR 91 Ca 0.44 -0.37 0.22 0.00 -1.18 0.00 0.00 61.69 60.80 1yji s THR 91 Cb -0.10 -0.58 0.34 0.00 1.34 0.00 0.00 72.50 73.51 1yji s THR 91 CO 0.40 -0.20 2.07 1.55 -0.54 0.00 0.00 174.62 177.90 1yji h PRO 92 N 4.29 0.00 0.00 3.99 0.13 -1.88 -0.64 132.00 137.89 1yji h PRO 92 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1yji h PRO 92 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1yji h PRO 92 CO 0.38 0.00 -0.37 1.05 -0.23 0.00 0.00 178.00 178.82 1yji h GLU 93 N 0.00 0.00 -1.01 0.86 4.11 -1.98 -2.66 114.58 113.89 1yji h GLU 93 Ca 0.13 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.08 1yji h GLU 93 Cb 0.54 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.51 1yji h GLU 93 CO -0.00 0.37 0.62 1.28 0.07 0.00 0.00 179.01 181.35 1yji n LEU 94 N -4.03 6.51 -4.77 3.06 4.77 -0.25 -4.99 117.00 117.30 1yji n LEU 94 Ca -0.02 -3.48 -0.41 0.00 -0.03 0.00 0.00 56.01 52.07 1yji n LEU 94 Cb 0.41 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1yji n LEU 94 CO 0.38 1.04 1.11 1.51 -1.33 0.00 0.00 177.39 180.11 1yji s ASP 95 N -1.12 6.49 0.00 -1.43 -4.77 -1.01 -3.55 116.67 111.28 1yji s ASP 95 Ca 0.52 2.90 0.00 0.00 -3.30 0.00 0.00 52.55 52.67 1yji s ASP 95 Cb 0.44 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.61 1yji s ASP 95 CO 0.09 -0.78 0.00 0.61 0.70 0.00 0.00 175.17 175.79 1yji n GLY 96 N 1.06 1.25 3.69 2.12 0.00 -0.12 -4.72 105.19 108.48 1yji n GLY 96 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1yji n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yji s ILE 97 N -2.00 3.25 -0.26 -0.61 1.10 -0.57 -4.86 121.20 117.25 1yji s ILE 97 Ca 0.00 0.72 -0.10 0.00 -0.51 0.00 0.00 60.65 60.77 1yji s ILE 97 Cb 0.00 -3.47 -0.04 0.00 0.15 0.00 0.00 42.46 39.10 1yji s ILE 97 CO 0.00 0.01 0.14 -0.69 -2.11 0.00 0.00 174.94 172.29 1yji s VAL 98 N 2.30 5.00 -0.14 4.00 1.01 -1.26 -1.08 120.40 130.23 1yji s VAL 98 Ca 0.69 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 1yji s VAL 98 Cb -0.37 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1yji s VAL 98 CO 0.30 0.30 0.02 -0.69 0.00 0.00 0.00 175.10 175.04 1yji s VAL 99 N 1.51 4.45 -0.24 2.92 1.01 -0.04 -0.57 120.40 129.44 1yji s VAL 99 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1yji s VAL 99 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1yji s VAL 99 CO 0.07 0.53 0.03 -1.81 0.00 0.00 0.00 175.10 173.92 1yji s ASP 100 N -0.15 4.85 -0.22 3.32 1.01 0.54 0.15 116.67 126.17 1yji s ASP 100 Ca 0.05 -0.29 -0.06 0.00 0.71 0.00 0.00 52.55 52.97 1yji s ASP 100 Cb -0.12 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 1yji s ASP 100 CO 0.02 -0.04 0.03 -0.69 0.21 0.00 0.00 175.17 174.71 1yji s VAL 101 N 1.57 4.15 0.89 -1.27 1.01 0.23 0.14 120.40 127.11 1yji s VAL 101 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1yji s VAL 101 Cb -0.15 -2.90 0.17 0.00 0.00 0.00 0.00 36.38 33.50 1yji s VAL 101 CO 0.01 0.39 1.22 -2.16 0.00 0.00 0.00 175.10 174.57 1yji s PRO 102 N 1.23 0.99 0.18 2.72 0.04 -1.26 -3.47 135.00 135.42 1yji s PRO 102 Ca 0.04 -0.61 0.25 0.00 0.04 0.00 0.00 61.00 60.72 1yji s PRO 102 Cb -0.15 -1.99 0.54 0.00 0.04 0.00 0.00 34.50 32.94 1yji s PRO 102 CO 0.02 -2.10 1.52 0.22 0.04 0.00 0.00 177.00 176.70 1yji h ASP 103 N -1.29 0.00 -3.31 6.66 3.58 -1.97 -3.38 116.42 116.71 1yji h ASP 103 Ca -0.42 -0.10 -0.69 0.00 0.42 0.00 0.00 57.03 56.23 1yji h ASP 103 Cb 1.25 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 41.93 1yji h ASP 103 CO 0.39 0.05 -0.17 -0.13 -2.88 0.00 0.00 179.24 176.51 1yji s ARG 104 N -3.15 3.15 0.41 0.28 1.81 -1.26 -4.86 118.95 115.34 1yji s ARG 104 Ca 0.08 -3.29 0.22 0.00 -1.72 0.00 0.00 55.73 51.02 1yji s ARG 104 Cb 0.12 -3.87 0.30 0.00 -0.45 0.00 0.00 34.95 31.05 1yji s ARG 104 CO 0.67 -1.27 1.56 -0.56 -0.68 0.00 0.00 175.30 175.02 1yji h GLN 105 N 5.92 0.00 0.00 3.54 -0.00 -1.85 -3.40 115.11 119.31 1yji h GLN 105 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1yji h GLN 105 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.28 1yji h GLN 105 CO 0.83 0.04 0.00 1.87 -0.00 0.00 0.00 178.83 181.58