#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 3.77 -0.29 4.33 -0.14 -1.26 -3.31 119.74 122.84 1yji s LYS 2 Ca 0.00 -0.27 -0.01 0.00 -1.36 0.00 0.00 55.97 54.33 1yji s LYS 2 Cb 0.00 -3.73 0.05 0.00 -1.68 0.00 0.00 37.83 32.47 1yji s LYS 2 CO 0.00 -0.38 -0.02 0.08 -0.76 0.00 0.00 175.35 174.27 1yji s VAL 3 N 1.97 2.80 -0.20 3.17 1.01 -0.98 -0.56 120.40 127.61 1yji s VAL 3 Ca 0.12 -1.46 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 1yji s VAL 3 Cb -0.16 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1yji s VAL 3 CO 0.11 -0.10 0.14 -0.69 0.00 0.00 0.00 175.10 174.56 1yji s VAL 4 N 1.21 5.40 -0.30 2.92 1.01 -0.37 -0.15 120.40 130.12 1yji s VAL 4 Ca -0.06 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1yji s VAL 4 Cb -0.20 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1yji s VAL 4 CO -0.02 0.44 0.16 -0.31 0.00 0.00 0.00 175.10 175.36 1yji s TYR 5 N 0.36 3.18 -0.34 5.22 2.02 0.09 -0.17 117.35 127.71 1yji s TYR 5 Ca 0.09 -0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 1yji s TYR 5 Cb -0.11 -2.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 1yji s TYR 5 CO -0.02 -0.40 0.29 0.08 -1.57 0.00 0.00 175.55 173.94 1yji s VAL 6 N 1.64 5.24 0.00 0.71 1.01 0.55 -2.23 120.40 127.31 1yji s VAL 6 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1yji s VAL 6 Cb -0.17 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1yji s VAL 6 CO 0.07 -0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.60 1yji n SER 7 N 5.22 -0.07 -0.06 3.32 3.41 -0.11 -0.99 113.62 124.35 1yji n SER 7 Ca -0.11 -0.12 -0.20 0.00 -0.26 0.00 0.00 58.87 58.18 1yji n SER 7 Cb 0.50 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 1yji n SER 7 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1yji h HIS 8 N -0.37 0.16 0.00 7.33 2.07 -1.87 -3.32 115.15 119.14 1yji h HIS 8 Ca 0.00 -0.11 0.00 0.00 -2.85 0.00 0.00 60.37 57.41 1yji h HIS 8 Cb 0.00 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1yji h HIS 8 CO 0.00 1.43 0.00 -0.40 -3.07 0.00 0.00 177.93 175.89 1yji n ASP 9 N -4.27 0.00 0.00 3.10 5.68 -1.26 -4.79 116.55 115.02 1yji n ASP 9 Ca -0.26 -0.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1yji n ASP 9 Cb 0.73 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 1yji n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yji n GLY 10 N 0.10 0.64 3.70 6.12 0.00 -1.25 -5.04 105.19 109.46 1yji n GLY 10 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.27 3.27 0.20 2.61 2.01 -1.26 -4.73 115.64 115.47 1yji s THR 11 Ca 0.00 0.81 0.06 0.00 0.31 0.00 0.00 61.69 62.86 1yji s THR 11 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1yji s THR 11 CO 0.00 0.03 0.18 -0.13 -0.69 0.00 0.00 174.62 174.01 1yji s ARG 12 N 1.87 2.98 -0.20 4.92 0.52 -1.26 -0.94 118.95 126.84 1yji s ARG 12 Ca 0.67 -0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 54.92 1yji s ARG 12 Cb -0.37 -2.65 0.10 0.00 0.52 0.00 0.00 34.95 32.55 1yji s ARG 12 CO 0.30 0.45 0.37 1.03 0.02 0.00 0.00 175.30 177.47 1yji s ARG 13 N -3.43 0.29 -0.24 3.54 0.52 -0.95 -4.93 118.95 113.75 1yji s ARG 13 Ca 0.32 0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 56.19 1yji s ARG 13 Cb -0.09 -0.09 -0.05 0.00 0.52 0.00 0.00 34.95 35.24 1yji s ARG 13 CO 0.25 -0.41 0.18 -1.21 0.02 0.00 0.00 175.30 174.12 1yji s GLU 14 N 2.54 4.06 0.37 3.54 2.02 -1.26 -0.73 118.70 129.23 1yji s GLU 14 Ca 0.04 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 54.82 1yji s GLU 14 Cb -0.13 -3.56 0.03 0.00 0.10 0.00 0.00 34.13 30.57 1yji s GLU 14 CO -0.13 0.02 0.27 -0.11 0.02 0.00 0.00 175.26 175.33 1yji n LEU 15 N 4.42 0.00 -3.67 1.80 -0.00 0.78 -4.91 117.00 115.42 1yji n LEU 15 Ca -0.14 -1.92 -0.29 0.00 -0.00 0.00 0.00 56.01 53.65 1yji n LEU 15 Cb 0.52 -0.02 -0.15 0.00 -0.00 0.00 0.00 43.42 43.77 1yji n LEU 15 CO 0.35 -0.47 -0.33 -0.62 -0.00 0.00 0.00 177.39 176.31 1yji s ASP 16 N -3.16 3.83 -0.29 1.96 2.15 -1.26 -2.33 116.67 117.58 1yji s ASP 16 Ca 0.20 -1.50 -0.06 0.00 0.43 0.00 0.00 52.55 51.62 1yji s ASP 16 Cb -0.02 -0.69 0.01 0.00 -0.30 0.00 0.00 42.92 41.92 1yji s ASP 16 CO 0.13 -0.42 0.07 -0.69 -0.17 0.00 0.00 175.17 174.09 1yji s VAL 17 N 1.78 3.90 1.15 1.11 1.01 -1.21 -4.85 120.40 123.30 1yji s VAL 17 Ca 0.09 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1yji s VAL 17 Cb -0.17 -2.99 0.26 0.00 0.00 0.00 0.00 36.38 33.48 1yji s VAL 17 CO -0.28 0.11 1.09 0.00 0.00 0.00 0.00 175.10 176.01 1yji s ALA 18 N 1.50 0.54 0.30 5.51 0.00 -1.26 -3.22 121.76 125.12 1yji s ALA 18 Ca 0.03 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1yji s ALA 18 Cb -0.17 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 1yji s ALA 18 CO 0.02 -3.45 1.40 0.16 0.00 0.00 0.00 175.76 173.89 1yji s ASP 19 N -3.63 6.64 0.00 0.00 1.47 -1.25 -2.40 116.67 117.49 1yji s ASP 19 Ca 0.69 2.74 0.00 0.00 1.18 0.00 0.00 52.55 57.16 1yji s ASP 19 Cb -0.14 -2.64 0.00 0.00 -0.34 0.00 0.00 42.92 39.80 1yji s ASP 19 CO 0.57 -0.67 0.00 0.61 0.68 0.00 0.00 175.17 176.36 1yji n GLY 20 N 1.45 2.54 3.77 2.12 0.00 -1.21 -4.99 105.19 108.88 1yji n GLY 20 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.26 4.20 0.15 1.61 1.01 -1.01 -4.87 120.40 119.22 1yji s VAL 21 Ca 0.00 1.88 -0.19 0.00 0.00 0.00 0.00 61.98 63.67 1yji s VAL 21 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1yji s VAL 21 CO 0.00 0.32 0.64 -0.94 0.00 0.00 0.00 175.10 175.12 1yji s SER 22 N -1.40 7.04 0.32 3.32 1.04 -1.26 -2.40 113.70 120.36 1yji s SER 22 Ca 0.45 1.31 0.10 0.00 0.48 0.00 0.00 55.95 58.28 1yji s SER 22 Cb -0.22 -2.38 0.91 0.00 0.10 0.00 0.00 66.02 64.44 1yji s SER 22 CO 0.27 0.15 1.69 -0.07 0.98 0.00 0.00 173.24 176.27 1yji h LEU 23 N 3.93 0.51 -1.02 2.42 -0.00 -1.68 0.68 115.31 120.16 1yji h LEU 23 Ca -0.49 0.16 -0.07 0.00 -0.00 0.00 0.00 57.88 57.49 1yji h LEU 23 Cb 1.20 0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.95 1yji h LEU 23 CO 0.65 -0.01 -0.07 -0.03 -0.00 0.00 0.00 178.44 178.98 1yji h MET 24 N 0.44 0.63 0.87 1.13 4.05 -1.86 -1.76 114.93 118.42 1yji h MET 24 Ca 0.65 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.85 1yji h MET 24 Cb 1.33 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 32.07 1yji h MET 24 CO -0.54 0.70 -0.42 1.96 0.23 0.00 0.00 176.91 178.84 1yji h GLN 25 N 0.59 -1.12 -0.03 0.39 7.50 0.02 -2.49 115.11 119.95 1yji h GLN 25 Ca 0.11 0.08 0.01 0.00 0.50 0.00 0.00 58.65 59.35 1yji h GLN 25 Cb 0.47 0.26 -0.00 0.00 0.05 0.00 0.00 27.48 28.25 1yji h GLN 25 CO 0.02 -0.75 0.03 0.00 -1.50 0.00 0.00 178.83 176.64 1yji h ALA 26 N -1.43 1.79 0.00 3.87 0.00 -1.47 0.18 119.26 122.20 1yji h ALA 26 Ca -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1yji h ALA 26 Cb 0.89 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1yji h ALA 26 CO 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.38 1yji h ALA 27 N 1.97 1.06 0.00 0.00 0.00 -0.89 -1.43 119.26 119.98 1yji h ALA 27 Ca 0.02 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1yji h ALA 27 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1yji h ALA 27 CO -0.00 0.02 -1.31 0.28 0.00 0.00 0.00 179.25 178.24 1yji h VAL 28 N 0.00 0.87 0.00 0.00 2.07 -0.27 1.66 116.25 120.57 1yji h VAL 28 Ca -0.00 -2.50 -0.05 0.00 0.82 0.00 0.00 66.70 64.97 1yji h VAL 28 Cb 0.21 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1yji h VAL 28 CO 0.00 0.50 -0.22 -1.28 0.02 0.00 0.00 177.57 176.58 1yji h SER 29 N 0.00 0.00 -0.01 0.57 0.87 -1.11 -2.71 113.55 111.16 1yji h SER 29 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1yji h SER 29 Cb 1.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1yji h SER 29 CO 0.07 0.22 -0.24 0.59 -0.53 0.00 0.00 176.83 176.94 1yji n ASN 30 N -3.34 1.16 -2.75 6.23 5.03 -1.02 -5.03 115.26 115.53 1yji n ASN 30 Ca 0.00 -1.08 -0.01 0.00 0.87 0.00 0.00 54.58 54.37 1yji n ASN 30 Cb 0.45 0.53 0.00 0.00 -1.02 0.00 0.00 39.78 39.74 1yji n ASN 30 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1yji n GLY 31 N 0.94 -1.08 1.10 7.41 0.00 0.18 -5.01 105.19 108.74 1yji n GLY 31 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1yji n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yji n ILE 32 N -1.50 0.90 0.92 -0.61 5.41 0.54 -4.80 119.36 120.22 1yji n ILE 32 Ca 0.01 0.30 0.11 0.00 1.00 0.00 0.00 62.75 64.17 1yji n ILE 32 Cb 0.49 -1.50 0.12 0.00 -0.71 0.00 0.00 39.64 38.04 1yji n ILE 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yji n TYR 33 N -3.38 0.06 -0.31 1.39 4.19 -1.24 -4.37 117.16 113.50 1yji n TYR 33 Ca 0.00 0.02 0.23 0.00 3.31 0.00 0.00 57.90 61.46 1yji n TYR 33 Cb 0.10 -0.23 0.44 0.00 0.49 0.00 0.00 39.34 40.14 1yji n TYR 33 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1yji n ASP 34 N -1.59 0.14 -4.72 2.98 5.75 -1.26 -4.40 116.55 113.44 1yji n ASP 34 Ca 0.04 1.59 -0.62 0.00 -0.01 0.00 0.00 54.79 55.79 1yji n ASP 34 Cb 0.35 -0.69 -0.08 0.00 -1.03 0.00 0.00 41.12 39.67 1yji n ASP 34 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1yji n ILE 35 N -5.25 0.16 -1.34 2.12 5.41 -1.26 -4.41 119.36 114.79 1yji n ILE 35 Ca 0.30 -0.03 0.15 0.00 1.00 0.00 0.00 62.75 64.17 1yji n ILE 35 Cb 1.01 -0.87 -0.08 0.00 -0.71 0.00 0.00 39.64 38.99 1yji n ILE 35 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1yji n VAL 36 N 4.19 -0.82 0.00 1.39 0.31 -1.26 -5.06 118.33 117.08 1yji n VAL 36 Ca 0.28 0.83 0.00 0.00 -0.01 0.00 0.00 64.34 65.44 1yji n VAL 36 Cb 0.05 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1yji n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yji n GLY 37 N -4.20 2.41 0.00 2.92 0.00 -1.26 -5.04 105.19 100.02 1yji n GLY 37 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1yji n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yji n ASP 38 N 0.00 0.00 -0.35 1.61 -0.08 -1.26 -4.13 116.55 112.34 1yji n ASP 38 Ca 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1yji n ASP 38 Cb 0.00 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.13 1yji n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yji n GLY 40 N 0.17 0.53 0.80 0.00 0.00 -1.26 0.26 105.19 105.70 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 0.12 0.86 1.99 -0.02 0.00 -1.26 -4.97 105.19 101.91 1yji n GLY 41 Ca -0.06 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 0.80 5.63 -3.62 1.61 7.64 0.74 -4.81 113.62 121.61 1yji n SER 42 Ca 0.00 -3.27 -0.24 0.00 1.01 0.00 0.00 58.87 56.37 1yji n SER 42 Cb 0.03 -0.91 0.01 0.00 -1.01 0.00 0.00 64.21 62.33 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 -2.68 -1.75 -0.43 0.00 -1.26 -4.87 120.51 109.15 1yji n ALA 43 Ca 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1yji n ALA 43 Cb 0.89 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1yji n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yji n SER 44 N -1.94 0.00 -0.76 0.00 2.88 -1.26 -5.10 113.62 107.43 1yji n SER 44 Ca -0.22 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 1yji n SER 44 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1yji n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yji n ALA 46 N -3.00 1.46 -0.31 0.00 0.00 -1.26 -4.81 120.51 112.59 1yji n ALA 46 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 53.44 52.68 1yji n ALA 46 Cb 0.00 -0.04 0.16 0.00 0.00 0.00 0.00 19.45 19.57 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 2.06 0.97 0.00 0.00 1.35 -1.82 -2.71 112.91 112.76 1yji h THR 47 Ca 0.00 -0.30 -0.52 0.00 -0.55 0.00 0.00 66.41 65.04 1yji h THR 47 Cb 0.85 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1yji h THR 47 CO 0.00 0.16 2.56 0.00 -0.25 0.00 0.00 175.52 178.00 1yji s HIS 49 N 1.86 2.35 0.14 0.00 5.04 -1.03 -2.29 115.29 121.36 1yji s HIS 49 Ca 0.68 0.50 -0.01 0.00 -1.54 0.00 0.00 55.06 54.70 1yji s HIS 49 Cb 0.22 -4.40 -0.04 0.00 0.04 0.00 0.00 32.58 28.40 1yji s HIS 49 CO -0.04 -1.92 0.05 0.14 -2.34 0.00 0.00 174.74 170.63 1yji s VAL 50 N 5.82 0.18 -0.30 0.89 -7.23 -1.12 -4.48 120.40 114.15 1yji s VAL 50 Ca 0.53 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1yji s VAL 50 Cb -0.11 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.79 1yji s VAL 50 CO 0.26 -0.45 0.03 -0.31 -0.31 0.00 0.00 175.10 174.33 1yji s TYR 51 N -4.00 3.19 0.05 2.82 2.02 0.42 -2.80 117.35 119.05 1yji s TYR 51 Ca 0.25 -1.48 -0.24 0.00 -0.37 0.00 0.00 57.07 55.23 1yji s TYR 51 Cb 0.07 -2.17 -0.06 0.00 -0.40 0.00 0.00 41.96 39.40 1yji s TYR 51 CO 0.03 -0.72 0.73 0.08 -1.57 0.00 0.00 175.55 174.10 1yji s VAL 52 N 1.37 4.73 -0.14 0.71 1.01 -1.26 0.22 120.40 127.04 1yji s VAL 52 Ca -0.01 1.55 -0.38 0.00 0.00 0.00 0.00 61.98 63.14 1yji s VAL 52 Cb -0.18 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 1yji s VAL 52 CO 0.00 0.39 1.65 -3.20 0.00 0.00 0.00 175.10 173.94 1yji n ASN 53 N 2.66 2.36 -0.08 3.32 5.15 0.33 -4.66 115.26 124.33 1yji n ASN 53 Ca -0.04 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 1yji n ASN 53 Cb 0.50 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 1yji n ASN 53 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1yji n GLU 54 N 4.69 0.00 -0.01 1.20 0.28 -1.26 -1.21 120.64 124.33 1yji n GLU 54 Ca 0.23 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.34 1yji n GLU 54 Cb 0.17 -0.98 -0.14 0.00 1.43 0.00 0.00 31.44 31.92 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 -0.24 3.62 0.23 -1.84 0.00 -1.26 -4.40 120.51 116.61 1yji n ALA 55 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 53.44 52.93 1yji n ALA 55 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.90 0.00 -0.07 0.00 3.01 -0.35 -4.56 117.46 113.59 1yji n PHE 56 Ca -0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 1yji n PHE 56 Cb 0.45 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.86 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 0.00 1.30 -0.23 4.37 1.35 -1.76 0.11 112.91 118.04 1yji h THR 57 Ca 0.00 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1yji h THR 57 Cb 0.12 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1yji h THR 57 CO 0.00 0.53 0.00 -0.90 -0.25 0.00 0.00 175.52 174.90 1yji n ASP 58 N -4.13 1.95 0.00 5.36 5.75 -1.26 -3.87 116.55 120.34 1yji n ASP 58 Ca -0.05 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1yji n ASP 58 Cb 0.58 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 0.24 0.08 -1.78 0.11 5.02 -1.10 -5.02 118.16 115.71 1yji n LYS 59 Ca 0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 1yji n LYS 59 Cb 0.38 -0.86 0.08 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 -1.73 2.68 -0.43 -0.18 0.11 0.35 -4.86 120.40 116.34 1yji s VAL 60 Ca 0.00 0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 58.97 1yji s VAL 60 Cb 0.00 -3.13 -0.09 0.00 -1.53 0.00 0.00 36.38 31.62 1yji s VAL 60 CO 0.00 -0.29 2.34 -0.81 -3.33 0.00 0.00 175.10 173.01 1yji n PRO 61 N -3.31 1.20 -2.13 1.54 -0.04 -1.26 -4.86 135.00 126.13 1yji n PRO 61 Ca 0.07 0.22 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 1yji n PRO 61 Cb 0.59 -2.94 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 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 9.57 2.43 0.50 0.55 0.00 -1.26 -4.93 121.76 128.62 1yji s ALA 62 Ca 1.06 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.23 1yji s ALA 62 Cb -0.51 -4.22 -0.08 0.00 0.00 0.00 0.00 23.12 18.31 1yji s ALA 62 CO 0.37 -3.50 0.97 0.00 0.00 0.00 0.00 175.76 173.61 1yji n ALA 63 N 11.60 0.17 -0.92 0.00 0.00 -1.26 -4.97 120.51 125.13 1yji n ALA 63 Ca 0.18 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 1yji n ALA 63 Cb 0.51 -2.09 0.04 0.00 0.00 0.00 0.00 19.45 17.91 1yji n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1yji n ASN 64 N -0.01 -2.08 0.00 0.00 0.23 -1.26 -4.79 115.26 107.34 1yji n ASN 64 Ca 0.11 -0.20 0.06 0.00 -0.53 0.00 0.00 54.58 54.02 1yji n ASN 64 Cb 0.43 -0.13 0.38 0.00 -2.08 0.00 0.00 39.78 38.38 1yji n ASN 64 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1yji n GLU 65 N -2.40 0.47 -0.24 -3.83 0.28 -1.26 -3.19 120.64 110.47 1yji n GLU 65 Ca 0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.94 1yji n GLU 65 Cb 0.08 -1.43 0.04 0.00 1.43 0.00 0.00 31.44 31.57 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 1.10 0.06 3.44 3.08 -2.01 -3.12 114.38 116.93 1yji h ARG 66 Ca 0.00 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1yji h ARG 66 Cb 0.00 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.92 1yji h ARG 66 CO 0.00 0.98 -0.39 0.93 -1.07 0.00 0.00 179.97 180.41 1yji h GLU 67 N 1.03 0.16 -0.41 0.04 3.07 -1.87 -3.25 114.58 113.35 1yji h GLU 67 Ca 0.21 -0.25 0.12 0.00 -0.50 0.00 0.00 59.36 58.94 1yji h GLU 67 Cb 0.38 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1yji h GLU 67 CO 0.00 1.10 0.86 0.82 -1.40 0.00 0.00 179.01 180.39 1yji h ILE 68 N -0.65 0.06 0.00 3.13 2.04 -1.69 1.64 117.51 122.05 1yji h ILE 68 Ca -0.07 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.57 1yji h ILE 68 Cb 1.28 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1yji h ILE 68 CO 0.07 0.00 -1.33 1.23 0.00 0.00 0.00 178.15 178.13 1yji h GLY 69 N 0.00 0.00 1.68 5.37 0.00 -1.57 -3.15 103.07 105.39 1yji h GLY 69 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.30 1yji h GLY 69 CO -0.00 0.00 -1.01 -0.33 0.00 0.00 0.00 176.54 175.20 1yji h MET 70 N 0.00 0.27 0.00 4.80 2.86 0.22 -2.78 114.93 120.30 1yji h MET 70 Ca -0.15 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 1yji h MET 70 Cb 1.81 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.58 1yji h MET 70 CO 0.09 1.08 -0.06 -0.07 1.06 0.00 0.00 176.91 179.01 1yji h LEU 71 N 0.13 0.00 -1.58 1.22 3.38 -1.09 0.13 115.31 117.50 1yji h LEU 71 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1yji h LEU 71 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1yji h LEU 71 CO 0.16 0.06 0.00 1.21 0.09 0.00 0.00 178.44 179.96 1yji n GLU 72 N -3.33 1.99 -0.75 1.13 4.07 -1.05 -3.48 120.64 119.22 1yji n GLU 72 Ca -0.01 -0.83 0.04 0.00 -0.06 0.00 0.00 57.16 56.29 1yji n GLU 72 Cb 0.23 -1.64 0.06 0.00 -0.06 0.00 0.00 31.44 30.02 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 -0.94 2.71 -1.92 0.00 -7.23 -1.23 -5.00 120.40 106.79 1yji s VAL 74 Ca 0.21 -0.87 0.17 0.00 -1.81 0.00 0.00 61.98 59.68 1yji s VAL 74 Cb 0.22 -2.83 0.08 0.00 0.56 0.00 0.00 36.38 34.41 1yji s VAL 74 CO -0.06 0.00 0.98 0.41 -0.31 0.00 0.00 175.10 176.12 1yji n THR 75 N -2.13 0.00 -3.62 5.32 -1.04 -1.26 -5.00 114.28 106.55 1yji n THR 75 Ca 0.10 -0.44 -0.22 0.00 -2.04 0.00 0.00 64.05 61.46 1yji n THR 75 Cb 0.60 1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 70.38 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 -1.63 4.07 -0.22 2.41 0.00 -1.26 -5.04 121.76 120.09 1yji s ALA 76 Ca 0.18 -1.86 -0.28 0.00 0.00 0.00 0.00 51.96 49.99 1yji s ALA 76 Cb 0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1yji s ALA 76 CO 0.29 -0.26 2.04 -2.00 0.00 0.00 0.00 175.76 175.83 1yji s GLU 77 N -4.14 3.35 0.76 0.00 2.12 -1.26 -4.95 118.70 114.58 1yji s GLU 77 Ca 0.47 1.92 -0.11 0.00 0.36 0.00 0.00 54.97 57.61 1yji s GLU 77 Cb -0.03 -4.28 0.05 0.00 0.26 0.00 0.00 34.13 30.13 1yji s GLU 77 CO 0.27 -1.84 1.08 -1.17 -0.54 0.00 0.00 175.26 173.06 1yji s LEU 78 N 7.26 3.04 0.13 2.70 2.96 -1.26 -5.05 118.68 128.46 1yji s LEU 78 Ca 0.92 1.77 0.08 0.00 -0.22 0.00 0.00 54.13 56.68 1yji s LEU 78 Cb -0.31 -4.50 -0.04 0.00 0.50 0.00 0.00 46.19 41.84 1yji s LEU 78 CO 0.35 -1.92 -0.20 -0.54 -1.32 0.00 0.00 176.35 172.72 1yji s LYS 79 N -4.94 1.19 0.63 1.98 -0.14 -1.26 -4.98 119.74 112.23 1yji s LYS 79 Ca 0.61 -1.28 0.33 0.00 -1.36 0.00 0.00 55.97 54.27 1yji s LYS 79 Cb -0.16 -1.35 1.86 0.00 -1.68 0.00 0.00 37.83 36.49 1yji s LYS 79 CO 0.56 0.30 2.12 -1.00 -0.76 0.00 0.00 175.35 176.56 1yji h PRO 80 N 3.67 0.00 0.00 -1.68 0.13 -2.02 -0.31 132.00 131.80 1yji h PRO 80 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1yji h PRO 80 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1yji h PRO 80 CO 0.45 0.00 -0.43 0.27 -0.23 0.00 0.00 178.00 178.06 1yji n ASN 81 N -3.34 1.79 -4.14 1.44 0.23 -1.26 -5.07 115.26 104.93 1yji n ASN 81 Ca -0.01 -3.77 -0.29 0.00 -0.53 0.00 0.00 54.58 49.98 1yji n ASN 81 Cb 0.28 -0.51 0.22 0.00 -2.08 0.00 0.00 39.78 37.69 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 -1.15 -2.52 -3.60 0.53 7.64 -0.13 -4.28 113.62 110.11 1yji n SER 82 Ca 0.18 -0.28 -0.05 0.00 1.01 0.00 0.00 58.87 59.73 1yji n SER 82 Cb 0.69 -1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 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 -3.95 0.68 -0.56 1.43 1.81 -1.12 -4.88 118.95 112.35 1yji s ARG 83 Ca 0.60 -0.30 -0.11 0.00 -1.72 0.00 0.00 55.73 54.19 1yji s ARG 83 Cb -0.16 0.28 0.14 0.00 -0.45 0.00 0.00 34.95 34.76 1yji s ARG 83 CO 0.61 -0.30 0.46 -0.51 -0.68 0.00 0.00 175.30 174.88 1yji s LEU 84 N -2.57 5.97 0.21 2.53 2.01 -1.26 -2.81 118.68 122.76 1yji s LEU 84 Ca 0.09 -2.07 0.09 0.00 0.01 0.00 0.00 54.13 52.24 1yji s LEU 84 Cb -0.00 -2.09 0.69 0.00 0.01 0.00 0.00 46.19 44.80 1yji s LEU 84 CO -0.05 -0.70 0.94 0.00 1.01 0.00 0.00 176.35 177.56 1yji n GLN 87 N -2.25 2.16 -4.36 0.00 6.02 0.49 -4.71 117.38 114.72 1yji n GLN 87 Ca 0.04 -2.34 -0.18 0.00 -0.01 0.00 0.00 57.00 54.51 1yji n GLN 87 Cb 0.36 -1.92 -0.10 0.00 1.02 0.00 0.00 30.24 29.60 1yji n GLN 87 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1yji s ILE 88 N -3.26 0.91 -0.04 5.09 1.01 -1.22 -4.84 121.20 118.85 1yji s ILE 88 Ca 0.46 -2.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.08 1yji s ILE 88 Cb 0.36 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 40.28 1yji s ILE 88 CO 0.01 -0.12 0.04 -0.63 0.00 0.00 0.00 174.94 174.24 1yji s ILE 89 N -3.50 0.01 0.31 2.92 -1.09 -1.26 -3.91 121.20 114.68 1yji s ILE 89 Ca 0.34 0.31 -0.27 0.00 -2.23 0.00 0.00 60.65 58.80 1yji s ILE 89 Cb 0.07 -0.22 -0.10 0.00 -1.58 0.00 0.00 42.46 40.64 1yji s ILE 89 CO 0.12 0.17 0.98 -0.32 -1.23 0.00 0.00 174.94 174.67 1yji s MET 90 N 1.83 4.58 0.07 2.79 1.75 -1.01 -4.78 119.30 124.53 1yji s MET 90 Ca 0.01 1.44 0.05 0.00 -1.25 0.00 0.00 55.69 55.94 1yji s MET 90 Cb -0.12 -2.89 -0.03 0.00 2.84 0.00 0.00 34.83 34.63 1yji s MET 90 CO -0.03 0.25 -0.15 0.95 -0.65 0.00 0.00 175.02 175.39 1yji s THR 91 N -1.49 1.17 0.33 10.11 -4.23 -1.26 -3.29 115.64 116.99 1yji s THR 91 Ca 0.49 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 1yji s THR 91 Cb -0.22 -1.12 0.18 0.00 1.34 0.00 0.00 72.50 72.69 1yji s THR 91 CO 0.28 -0.19 1.90 1.55 -0.54 0.00 0.00 174.62 177.62 1yji h PRO 92 N 4.31 0.63 0.00 3.99 0.13 -1.93 -1.95 132.00 137.18 1yji h PRO 92 Ca -0.41 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 1yji h PRO 92 Cb 1.19 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1yji h PRO 92 CO 0.40 0.57 -0.27 1.05 -0.23 0.00 0.00 178.00 179.53 1yji h GLU 93 N 0.62 0.00 -0.78 0.86 4.11 -2.02 -2.82 114.58 114.55 1yji h GLU 93 Ca 0.14 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.18 1yji h GLU 93 Cb 0.22 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.24 1yji h GLU 93 CO -0.00 0.27 0.40 1.28 0.07 0.00 0.00 179.01 181.02 1yji n LEU 94 N -3.65 5.86 -4.76 3.06 4.77 -0.75 -5.01 117.00 116.53 1yji n LEU 94 Ca -0.01 -3.65 -0.38 0.00 -0.03 0.00 0.00 56.01 51.94 1yji n LEU 94 Cb 0.39 -0.77 0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1yji n LEU 94 CO 0.34 1.11 0.93 1.51 -1.33 0.00 0.00 177.39 179.96 1yji s ASP 95 N -1.70 5.56 0.00 -1.43 -4.77 -1.07 -3.71 116.67 109.55 1yji s ASP 95 Ca 0.53 2.61 0.00 0.00 -3.30 0.00 0.00 52.55 52.39 1yji s ASP 95 Cb 0.45 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.66 1yji s ASP 95 CO 0.07 -1.36 0.00 0.61 0.70 0.00 0.00 175.17 175.19 1yji n GLY 96 N 0.63 1.16 3.72 2.12 0.00 0.27 -4.77 105.19 108.32 1yji n GLY 96 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 2.82 -0.20 -0.61 2.07 -0.92 -4.82 121.20 117.54 1yji s ILE 97 Ca 0.00 0.57 -0.07 0.00 -1.41 0.00 0.00 60.65 59.74 1yji s ILE 97 Cb 0.00 -3.37 -0.04 0.00 0.13 0.00 0.00 42.46 39.19 1yji s ILE 97 CO 0.00 0.04 0.06 -0.69 -1.91 0.00 0.00 174.94 172.44 1yji s VAL 98 N 1.22 4.58 -0.10 4.00 1.01 -1.26 -1.24 120.40 128.60 1yji s VAL 98 Ca 0.69 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.57 1yji s VAL 98 Cb -0.42 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1yji s VAL 98 CO 0.31 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 175.05 1yji s VAL 99 N 0.80 3.49 -0.23 2.92 1.01 0.76 -0.52 120.40 128.64 1yji s VAL 99 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1yji s VAL 99 Cb -0.14 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1yji s VAL 99 CO 0.02 0.55 0.03 -1.81 0.00 0.00 0.00 175.10 173.89 1yji s ASP 100 N -0.22 4.90 -0.21 3.32 1.11 0.59 0.21 116.67 126.37 1yji s ASP 100 Ca 0.02 -0.23 -0.05 0.00 0.18 0.00 0.00 52.55 52.47 1yji s ASP 100 Cb -0.13 -1.86 -0.02 0.00 1.07 0.00 0.00 42.92 41.98 1yji s ASP 100 CO 0.03 0.00 -0.00 -0.69 1.18 0.00 0.00 175.17 175.69 1yji s VAL 101 N 1.37 3.87 0.90 -1.27 1.01 -0.16 0.16 120.40 126.28 1yji s VAL 101 Ca 0.05 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1yji s VAL 101 Cb -0.15 -2.75 0.19 0.00 0.00 0.00 0.00 36.38 33.66 1yji s VAL 101 CO 0.02 0.42 1.24 -2.16 0.00 0.00 0.00 175.10 174.62 1yji s PRO 102 N 1.12 0.87 0.27 2.72 0.04 -1.26 -3.50 135.00 135.26 1yji s PRO 102 Ca 0.02 -0.63 0.23 0.00 0.04 0.00 0.00 61.00 60.67 1yji s PRO 102 Cb -0.14 -1.97 0.30 0.00 0.04 0.00 0.00 34.50 32.72 1yji s PRO 102 CO 0.01 -2.19 1.40 0.38 0.04 0.00 0.00 177.00 176.64 1yji h ASP 103 N -1.37 0.00 -3.49 6.66 2.03 -1.98 -3.38 116.42 114.89 1yji h ASP 103 Ca -0.42 -0.04 -0.72 0.00 -0.73 0.00 0.00 57.03 55.12 1yji h ASP 103 Cb 1.24 0.00 -0.34 0.00 -0.83 0.00 0.00 39.33 39.40 1yji h ASP 103 CO 0.37 0.02 -0.02 -0.13 -1.03 0.00 0.00 179.24 178.45 1yji s ARG 104 N -3.24 3.38 0.05 4.15 1.81 -1.26 -4.83 118.95 119.00 1yji s ARG 104 Ca 0.05 -3.15 0.07 0.00 -1.72 0.00 0.00 55.73 50.98 1yji s ARG 104 Cb 0.09 -4.06 -0.23 0.00 -0.45 0.00 0.00 34.95 30.30 1yji s ARG 104 CO 0.71 -1.25 1.01 1.96 -0.68 0.00 0.00 175.30 177.04 1yji h GLN 105 N 6.32 0.05 0.00 3.54 7.50 -1.85 -3.40 115.11 127.27 1yji h GLN 105 Ca 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.21 1yji h GLN 105 Cb 0.85 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.41 1yji h GLN 105 CO 0.86 0.86 0.00 1.87 -1.50 0.00 0.00 178.83 180.92