#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 3.76 -0.31 4.33 -0.14 -1.26 -2.98 119.74 123.13 1yji s LYS 2 Ca 0.00 0.01 -0.02 0.00 -1.36 0.00 0.00 55.97 54.60 1yji s LYS 2 Cb 0.00 -3.76 0.06 0.00 -1.68 0.00 0.00 37.83 32.44 1yji s LYS 2 CO 0.00 -0.57 0.03 0.08 -0.76 0.00 0.00 175.35 174.13 1yji s VAL 3 N 2.41 3.03 -0.20 3.17 1.01 -1.16 -0.52 120.40 128.14 1yji s VAL 3 Ca 0.20 -1.47 -0.10 0.00 0.00 0.00 0.00 61.98 60.60 1yji s VAL 3 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1yji s VAL 3 CO 0.12 -0.19 0.15 -0.69 0.00 0.00 0.00 175.10 174.50 1yji s VAL 4 N 1.24 5.39 -0.31 2.92 1.01 -0.39 -0.97 120.40 129.30 1yji s VAL 4 Ca -0.03 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1yji s VAL 4 Cb -0.20 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1yji s VAL 4 CO -0.01 0.42 0.14 -0.31 0.00 0.00 0.00 175.10 175.33 1yji s TYR 5 N 0.51 3.17 -0.35 5.22 2.02 0.67 -0.07 117.35 128.52 1yji s TYR 5 Ca 0.09 -0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 56.04 1yji s TYR 5 Cb -0.12 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.10 1yji s TYR 5 CO -0.00 -0.46 0.32 0.08 -1.57 0.00 0.00 175.55 173.92 1yji s VAL 6 N 1.60 5.21 0.00 0.71 1.01 0.53 -1.42 120.40 128.04 1yji s VAL 6 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1yji s VAL 6 Cb -0.17 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1yji s VAL 6 CO 0.06 -0.09 0.00 -1.54 0.00 0.00 0.00 175.10 173.53 1yji n SER 7 N 5.29 0.00 -0.06 3.32 3.41 0.93 -0.87 113.62 125.65 1yji n SER 7 Ca -0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.30 1yji n SER 7 Cb 0.49 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 -0.39 0.18 0.00 7.33 2.07 -1.85 -3.33 115.15 119.16 1yji h HIS 8 Ca 0.00 -0.13 0.00 0.00 -2.85 0.00 0.00 60.37 57.39 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 1.51 0.00 -0.40 -3.07 0.00 0.00 177.93 175.97 1yji n ASP 9 N -4.18 0.00 0.00 3.10 5.68 -1.26 -4.77 116.55 115.12 1yji n ASP 9 Ca -0.28 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1yji n ASP 9 Cb 0.77 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 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 0.06 0.61 3.70 6.12 0.00 -1.25 -5.03 105.19 109.40 1yji n GLY 10 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.32 3.01 0.27 2.61 2.01 -1.26 -4.70 115.64 115.26 1yji s THR 11 Ca 0.00 0.57 0.07 0.00 0.31 0.00 0.00 61.69 62.65 1yji s THR 11 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1yji s THR 11 CO 0.00 0.02 0.23 -0.13 -0.69 0.00 0.00 174.62 174.04 1yji s ARG 12 N 2.06 2.92 -0.20 4.92 0.52 -1.26 -0.05 118.95 127.86 1yji s ARG 12 Ca 0.71 -1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1yji s ARG 12 Cb -0.40 -2.57 0.10 0.00 0.52 0.00 0.00 34.95 32.60 1yji s ARG 12 CO 0.31 0.34 0.37 0.50 0.02 0.00 0.00 175.30 176.85 1yji s ARG 13 N -3.88 0.30 -0.18 3.54 3.52 -0.50 -4.91 118.95 116.83 1yji s ARG 13 Ca 0.34 0.80 -0.08 0.00 -0.13 0.00 0.00 55.73 56.66 1yji s ARG 13 Cb -0.08 -0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 1yji s ARG 13 CO 0.25 -0.40 0.09 -1.21 -0.81 0.00 0.00 175.30 173.23 1yji s GLU 14 N 2.55 4.01 0.00 5.12 2.02 -1.26 -0.24 118.70 130.91 1yji s GLU 14 Ca 0.04 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1yji s GLU 14 Cb -0.13 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1yji s GLU 14 CO -0.13 0.33 0.00 1.28 0.02 0.00 0.00 175.26 176.76 1yji n LEU 15 N 3.39 0.00 -3.63 1.80 4.77 -0.14 -4.92 117.00 118.27 1yji n LEU 15 Ca -0.17 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.52 1yji n LEU 15 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 1yji n LEU 15 CO 0.36 -0.01 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.47 1yji s ASP 16 N -0.09 3.68 -0.27 -1.43 2.15 -1.26 -3.00 116.67 116.46 1yji s ASP 16 Ca 0.00 -1.74 -0.08 0.00 0.43 0.00 0.00 52.55 51.15 1yji s ASP 16 Cb 0.00 -0.67 -0.02 0.00 -0.30 0.00 0.00 42.92 41.93 1yji s ASP 16 CO 0.00 -0.39 0.11 -0.69 -0.17 0.00 0.00 175.17 174.03 1yji s VAL 17 N 1.52 4.53 1.09 1.11 1.01 -1.16 -4.81 120.40 123.68 1yji s VAL 17 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1yji s VAL 17 Cb -0.19 -3.19 0.23 0.00 0.00 0.00 0.00 36.38 33.24 1yji s VAL 17 CO -0.22 0.24 1.10 0.00 0.00 0.00 0.00 175.10 176.23 1yji s ALA 18 N 1.63 0.80 0.32 5.51 0.00 -1.26 -2.89 121.76 125.87 1yji s ALA 18 Ca 0.06 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 1yji s ALA 18 Cb -0.16 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 19.85 1yji s ALA 18 CO 0.05 -3.17 1.40 0.16 0.00 0.00 0.00 175.76 174.20 1yji s ASP 19 N -3.67 6.62 0.00 0.00 -4.77 -1.26 -2.43 116.67 111.16 1yji s ASP 19 Ca 0.68 2.79 0.00 0.00 -3.30 0.00 0.00 52.55 52.71 1yji s ASP 19 Cb -0.15 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.04 1yji s ASP 19 CO 0.57 -0.68 0.00 0.61 0.70 0.00 0.00 175.17 176.37 1yji n GLY 20 N 1.13 2.57 3.77 2.12 0.00 -1.17 -4.99 105.19 108.62 1yji n GLY 20 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.21 4.27 0.03 1.61 1.01 -1.02 -4.85 120.40 119.24 1yji s VAL 21 Ca 0.00 1.81 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 1yji s VAL 21 Cb 0.00 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1yji s VAL 21 CO 0.00 0.48 0.43 -0.94 0.00 0.00 0.00 175.10 175.07 1yji s SER 22 N -1.21 6.81 0.42 3.32 1.04 -1.26 -1.89 113.70 120.93 1yji s SER 22 Ca 0.39 0.97 0.26 0.00 0.48 0.00 0.00 55.95 58.05 1yji s SER 22 Cb -0.23 -2.25 1.31 0.00 0.10 0.00 0.00 66.02 64.94 1yji s SER 22 CO 0.28 0.29 1.67 -0.07 0.98 0.00 0.00 173.24 176.39 1yji h LEU 23 N 4.47 0.32 -1.14 2.42 3.38 -1.74 1.61 115.31 124.64 1yji h LEU 23 Ca -0.51 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1yji h LEU 23 Cb 1.21 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1yji h LEU 23 CO 0.63 -0.10 0.41 -0.03 0.09 0.00 0.00 178.44 179.44 1yji h MET 24 N 0.19 1.01 0.57 1.13 4.05 -1.87 -0.36 114.93 119.65 1yji h MET 24 Ca 0.74 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 60.03 1yji h MET 24 Cb 2.18 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 32.78 1yji h MET 24 CO -0.39 0.73 -0.27 1.96 0.23 0.00 0.00 176.91 179.17 1yji h GLN 25 N 1.02 -0.74 -0.47 0.39 1.08 0.20 -2.98 115.11 113.60 1yji h GLN 25 Ca 0.26 0.05 0.14 0.00 -1.45 0.00 0.00 58.65 57.65 1yji h GLN 25 Cb 0.01 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1yji h GLN 25 CO -0.04 -0.44 0.34 0.00 -0.95 0.00 0.00 178.83 177.74 1yji h ALA 26 N -0.96 2.44 0.00 3.87 0.00 -1.33 0.26 119.26 123.54 1yji h ALA 26 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yji h ALA 26 Cb 0.64 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1yji h ALA 26 CO 0.13 -0.58 -0.02 0.00 0.00 0.00 0.00 179.25 178.78 1yji h ALA 27 N 1.76 1.42 0.00 0.00 0.00 -0.91 -0.49 119.26 121.05 1yji h ALA 27 Ca 0.23 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1yji h ALA 27 Cb 0.90 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1yji h ALA 27 CO -0.00 0.03 -0.92 0.28 0.00 0.00 0.00 179.25 178.63 1yji h VAL 28 N 0.00 0.47 0.00 0.00 2.07 -0.45 1.24 116.25 119.57 1yji h VAL 28 Ca -0.00 -1.77 -0.14 0.00 0.82 0.00 0.00 66.70 65.60 1yji h VAL 28 Cb 0.06 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1yji h VAL 28 CO 0.00 0.27 -0.68 -1.28 0.02 0.00 0.00 177.57 175.89 1yji h SER 29 N 0.00 0.00 -0.01 0.57 0.87 -0.97 -3.07 113.55 110.93 1yji h SER 29 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1yji h SER 29 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1yji h SER 29 CO 0.04 0.68 -0.27 0.59 -0.53 0.00 0.00 176.83 177.34 1yji n ASN 30 N -3.57 1.46 -2.71 6.23 3.02 -0.93 -5.02 115.26 113.74 1yji n ASN 30 Ca -0.00 -1.23 -0.01 0.00 -0.03 0.00 0.00 54.58 53.30 1yji n ASN 30 Cb 0.71 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 40.34 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 1.03 -1.08 1.26 7.41 0.00 0.71 -5.01 105.19 109.52 1yji n GLY 31 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.36 0.93 0.51 -0.61 5.41 0.39 -4.84 119.36 119.80 1yji n ILE 32 Ca 0.02 0.31 0.11 0.00 1.00 0.00 0.00 62.75 64.19 1yji n ILE 32 Cb 0.47 -1.33 0.02 0.00 -0.71 0.00 0.00 39.64 38.10 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 -3.47 0.32 -0.31 1.39 4.19 -1.24 -4.34 117.16 113.70 1yji n TYR 33 Ca 0.00 0.09 0.21 0.00 3.31 0.00 0.00 57.90 61.51 1yji n TYR 33 Cb 0.00 -0.49 0.39 0.00 0.49 0.00 0.00 39.34 39.73 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 -2.03 0.07 -4.68 2.98 5.75 -1.26 -4.43 116.55 112.96 1yji n ASP 34 Ca 0.02 1.57 -0.63 0.00 -0.01 0.00 0.00 54.79 55.73 1yji n ASP 34 Cb 0.45 -0.65 -0.09 0.00 -1.03 0.00 0.00 41.12 39.80 1yji n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yji n ILE 35 N -5.27 0.05 -1.37 2.12 3.06 -1.26 -4.36 119.36 112.33 1yji n ILE 35 Ca 0.28 -0.01 0.15 0.00 -2.50 0.00 0.00 62.75 60.67 1yji n ILE 35 Cb 0.92 -0.53 -0.08 0.00 0.54 0.00 0.00 39.64 40.50 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 3.46 -0.96 0.00 9.51 0.31 -1.26 -5.03 118.33 124.35 1yji n VAL 36 Ca 0.27 0.90 0.00 0.00 -0.01 0.00 0.00 64.34 65.50 1yji n VAL 36 Cb 0.02 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 -4.15 0.06 0.00 2.92 0.00 -1.26 -5.05 105.19 97.70 1yji n GLY 37 Ca -0.08 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1yji n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yji n ASP 38 N 0.00 0.00 -0.02 1.61 9.92 -1.26 -4.31 116.55 122.49 1yji n ASP 38 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1yji n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1yji n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yji n GLY 40 N -0.19 0.00 0.00 0.00 0.00 -1.26 -3.41 105.19 100.33 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 0.27 0.35 0.92 -0.02 0.00 -1.26 -5.06 105.19 100.39 1yji n GLY 41 Ca 0.00 -0.68 -0.06 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 0.00 -0.84 -3.52 1.61 7.64 -1.22 -4.97 113.62 112.31 1yji n SER 42 Ca 0.00 -1.83 -0.19 0.00 1.01 0.00 0.00 58.87 57.86 1yji n SER 42 Cb 0.00 0.25 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.00 -2.62 -1.99 -0.43 0.00 -1.26 -4.89 120.51 109.32 1yji n ALA 43 Ca -0.24 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1yji n ALA 43 Cb 0.66 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.38 0.00 -3.57 0.00 7.64 -1.26 -4.91 113.62 109.14 1yji n SER 44 Ca -0.14 -1.03 -0.11 0.00 1.01 0.00 0.00 58.87 58.60 1yji n SER 44 Cb 0.60 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.31 3.20 0.17 0.00 0.00 -1.26 -4.45 120.51 117.86 1yji n ALA 46 Ca -0.15 -1.32 -0.14 0.00 0.00 0.00 0.00 53.44 51.83 1yji n ALA 46 Cb 0.64 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 1yji n ALA 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1yji h THR 47 N 3.16 0.68 -0.24 0.00 2.02 -1.75 -3.16 112.91 113.62 1yji h THR 47 Ca 0.00 -0.48 -0.45 0.00 0.77 0.00 0.00 66.41 66.26 1yji h THR 47 Cb 1.36 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 68.64 1yji h THR 47 CO 0.26 0.09 1.44 0.00 0.37 0.00 0.00 175.52 177.68 1yji s HIS 49 N 0.86 2.58 0.14 0.00 5.04 -1.19 -1.65 115.29 121.08 1yji s HIS 49 Ca 0.66 0.67 -0.05 0.00 -1.54 0.00 0.00 55.06 54.80 1yji s HIS 49 Cb 0.27 -4.39 -0.02 0.00 0.04 0.00 0.00 32.58 28.48 1yji s HIS 49 CO -0.06 -1.65 0.16 0.14 -2.34 0.00 0.00 174.74 170.99 1yji s VAL 50 N 5.02 0.09 -0.29 0.89 -7.23 -1.22 -4.50 120.40 113.16 1yji s VAL 50 Ca 0.54 -1.64 -0.04 0.00 -1.81 0.00 0.00 61.98 59.03 1yji s VAL 50 Cb -0.10 -1.91 0.03 0.00 0.56 0.00 0.00 36.38 34.96 1yji s VAL 50 CO 0.32 -0.41 0.02 -0.31 -0.31 0.00 0.00 175.10 174.40 1yji s TYR 51 N -4.00 3.18 -0.04 2.82 2.02 0.46 -3.48 117.35 118.30 1yji s TYR 51 Ca 0.20 -1.50 -0.21 0.00 -0.37 0.00 0.00 57.07 55.18 1yji s TYR 51 Cb 0.05 -2.16 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 1yji s TYR 51 CO 0.00 -0.72 0.61 0.08 -1.57 0.00 0.00 175.55 173.96 1yji s VAL 52 N 1.36 5.00 -0.03 0.71 1.01 -1.26 0.22 120.40 127.40 1yji s VAL 52 Ca -0.01 1.27 -0.38 0.00 0.00 0.00 0.00 61.98 62.86 1yji s VAL 52 Cb -0.18 -3.95 -0.17 0.00 0.00 0.00 0.00 36.38 32.08 1yji s VAL 52 CO -0.01 0.35 1.45 -0.46 0.00 0.00 0.00 175.10 176.43 1yji n ASN 53 N 3.25 1.79 -0.23 3.32 2.04 0.03 -4.66 115.26 120.80 1yji n ASN 53 Ca -0.05 1.11 0.00 0.00 -0.44 0.00 0.00 54.58 55.20 1yji n ASN 53 Cb 0.51 -1.16 0.00 0.00 -2.53 0.00 0.00 39.78 36.60 1yji n ASN 53 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1yji n GLU 54 N 3.33 0.00 -0.00 -3.83 0.28 -1.26 -1.41 120.64 117.74 1yji n GLU 54 Ca 0.21 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.32 1yji n GLU 54 Cb 0.17 -0.96 -0.15 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 -0.03 3.19 0.19 -1.84 0.00 -1.26 -4.36 120.51 116.39 1yji n ALA 55 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 52.93 1yji n ALA 55 Cb 0.00 -0.77 -0.02 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 -2.12 0.00 -0.10 0.00 3.01 -0.50 -4.57 117.46 113.17 1yji n PHE 56 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 1yji n PHE 56 Cb 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.95 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 0.05 1.29 -0.32 4.37 1.35 -1.75 0.21 112.91 118.11 1yji h THR 57 Ca 0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1yji h THR 57 Cb 0.10 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1yji h THR 57 CO 0.00 0.40 0.00 -0.90 -0.25 0.00 0.00 175.52 174.77 1yji n ASP 58 N -4.39 3.62 0.00 5.36 5.75 -1.26 -4.03 116.55 121.60 1yji n ASP 58 Ca -0.03 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 1yji n ASP 58 Cb 0.38 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 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 0.35 0.00 -1.96 0.11 5.02 -1.06 -5.04 118.16 115.57 1yji n LYS 59 Ca 0.15 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.16 1yji n LYS 59 Cb 0.77 -0.71 0.07 0.00 -0.02 0.00 0.00 35.03 35.14 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 -1.55 2.55 -0.57 -0.18 0.11 0.70 -4.88 120.40 116.57 1yji s VAL 60 Ca 0.00 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.89 1yji s VAL 60 Cb 0.00 -3.16 -0.09 0.00 -1.53 0.00 0.00 36.38 31.60 1yji s VAL 60 CO 0.00 -0.20 2.42 -0.81 -3.33 0.00 0.00 175.10 173.18 1yji n PRO 61 N -3.14 0.90 -2.29 1.54 -0.04 -1.26 -4.87 135.00 125.84 1yji n PRO 61 Ca 0.07 -0.20 -0.39 0.00 -0.04 0.00 0.00 63.50 62.94 1yji n PRO 61 Cb 0.60 -3.46 -0.03 0.00 -0.04 0.00 0.00 33.50 30.57 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 12.74 2.44 0.64 0.55 0.00 -1.26 -4.85 121.76 132.02 1yji s ALA 62 Ca 0.98 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.72 1yji s ALA 62 Cb -0.19 -4.29 -0.09 0.00 0.00 0.00 0.00 23.12 18.55 1yji s ALA 62 CO 0.23 -3.63 0.27 0.00 0.00 0.00 0.00 175.76 172.63 1yji n ALA 63 N 11.11 -2.07 -1.00 0.00 0.00 -1.26 -4.97 120.51 122.31 1yji n ALA 63 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1yji n ALA 63 Cb 0.50 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.91 -1.85 0.00 0.00 0.23 -1.26 -4.81 115.26 108.48 1yji n ASN 64 Ca 0.09 -0.05 0.06 0.00 -0.53 0.00 0.00 54.58 54.15 1yji n ASN 64 Cb 0.49 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.50 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 -1.91 0.23 -0.22 -3.83 0.28 -1.26 -3.02 120.64 110.91 1yji n GLU 65 Ca 0.00 0.12 -0.07 0.00 -0.16 0.00 0.00 57.16 57.05 1yji n GLU 65 Cb 0.00 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.41 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 0.92 -0.00 3.44 -0.00 -2.01 -3.02 114.38 113.71 1yji h ARG 66 Ca 0.00 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.98 59.28 1yji h ARG 66 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 29.89 1yji h ARG 66 CO 0.00 0.75 -0.19 0.93 0.00 0.00 0.00 179.97 181.46 1yji h GLU 67 N 0.87 0.14 -0.29 0.04 3.07 -1.85 -3.17 114.58 113.39 1yji h GLU 67 Ca 0.21 -0.14 0.08 0.00 -0.50 0.00 0.00 59.36 59.01 1yji h GLU 67 Cb 0.16 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1yji h GLU 67 CO -0.02 0.88 0.85 0.82 -1.40 0.00 0.00 179.01 180.14 1yji h ILE 68 N -0.55 0.04 0.00 3.13 2.04 -1.65 0.47 117.51 121.00 1yji h ILE 68 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1yji h ILE 68 Cb 0.95 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1yji h ILE 68 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.80 1yji n GLY 69 N -1.49 1.68 0.39 5.37 0.00 -1.15 -2.66 105.19 107.33 1yji n GLY 69 Ca 0.06 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.31 1yji n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yji h MET 70 N 0.00 0.39 -0.38 1.61 -0.00 -1.56 2.36 114.93 117.35 1yji h MET 70 Ca 0.00 -0.02 0.09 0.00 -0.00 0.00 0.00 59.70 59.76 1yji h MET 70 Cb 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 31.49 1yji h MET 70 CO 0.00 0.26 0.27 1.25 -0.00 0.00 0.00 176.91 178.68 1yji h LEU 71 N 0.40 0.11 -0.70 -0.10 7.12 -0.21 0.90 115.31 122.82 1yji h LEU 71 Ca 0.65 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.66 1yji h LEU 71 Cb 1.57 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.68 1yji h LEU 71 CO -0.40 0.07 0.00 1.21 -0.13 0.00 0.00 178.44 179.19 1yji n GLU 72 N -4.45 1.26 -1.77 1.25 2.13 0.79 -3.61 120.64 116.23 1yji n GLU 72 Ca 0.06 -0.27 -0.10 0.00 0.66 0.00 0.00 57.16 57.51 1yji n GLU 72 Cb 0.37 -1.29 0.07 0.00 0.27 0.00 0.00 31.44 30.86 1yji n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yji s VAL 74 N -3.69 2.37 0.00 0.00 1.01 -1.24 -4.88 120.40 113.96 1yji s VAL 74 Ca 0.42 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1yji s VAL 74 Cb 0.38 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1yji s VAL 74 CO -0.02 0.00 0.82 0.41 0.00 0.00 0.00 175.10 176.31 1yji n THR 75 N -2.22 0.63 -3.49 3.92 -1.04 -1.26 -5.05 114.28 105.78 1yji n THR 75 Ca 0.13 -0.82 -0.21 0.00 -2.04 0.00 0.00 64.05 61.12 1yji n THR 75 Cb 0.61 0.68 -0.01 0.00 -1.82 0.00 0.00 70.33 69.79 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 -0.63 4.23 -0.44 2.41 0.00 -1.26 -5.01 121.76 121.06 1yji s ALA 76 Ca 0.00 -1.80 -0.27 0.00 0.00 0.00 0.00 51.96 49.89 1yji s ALA 76 Cb 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 21.96 1yji s ALA 76 CO 0.00 -0.32 2.38 -1.91 0.00 0.00 0.00 175.76 175.91 1yji n GLU 77 N -1.68 1.22 -2.36 0.00 2.13 -1.26 -4.91 120.64 113.79 1yji n GLU 77 Ca 0.05 0.13 -0.40 0.00 0.66 0.00 0.00 57.16 57.60 1yji n GLU 77 Cb 0.62 -3.31 -0.03 0.00 0.27 0.00 0.00 31.44 28.99 1yji n GLU 77 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1yji s LEU 78 N 11.11 4.40 0.22 4.31 1.02 -1.26 -5.02 118.68 133.46 1yji s LEU 78 Ca 1.00 2.36 0.06 0.00 0.02 0.00 0.00 54.13 57.58 1yji s LEU 78 Cb -0.27 -3.78 -0.04 0.00 0.02 0.00 0.00 46.19 42.13 1yji s LEU 78 CO 0.30 -0.39 0.21 -0.54 0.02 0.00 0.00 176.35 175.94 1yji s LYS 79 N -1.83 3.01 0.42 1.70 -0.14 -1.26 -4.96 119.74 116.68 1yji s LYS 79 Ca 0.50 -0.95 0.19 0.00 -1.36 0.00 0.00 55.97 54.34 1yji s LYS 79 Cb -0.32 -2.64 1.02 0.00 -1.68 0.00 0.00 37.83 34.21 1yji s LYS 79 CO 0.42 0.43 1.51 -1.00 -0.76 0.00 0.00 175.35 175.95 1yji h PRO 80 N 1.71 0.00 -0.55 -1.68 0.13 -2.01 -1.27 132.00 128.33 1yji h PRO 80 Ca -0.49 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.27 1yji h PRO 80 Cb 1.23 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 1yji h PRO 80 CO 0.62 0.00 -0.97 0.27 -0.23 0.00 0.00 178.00 177.69 1yji n ASN 81 N -2.30 3.06 -4.77 1.44 0.23 -1.26 -5.08 115.26 106.57 1yji n ASN 81 Ca -0.01 -2.84 -0.35 0.00 -0.53 0.00 0.00 54.58 50.85 1yji n ASN 81 Cb 0.30 -0.41 0.01 0.00 -2.08 0.00 0.00 39.78 37.60 1yji n ASN 81 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1yji s SER 82 N -3.65 5.53 0.16 0.53 0.01 -0.48 -4.40 113.70 111.40 1yji s SER 82 Ca 0.38 2.23 -0.25 0.00 1.31 0.00 0.00 55.95 59.62 1yji s SER 82 Cb 0.36 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 64.07 1yji s SER 82 CO -0.01 -1.35 0.92 -0.13 0.41 0.00 0.00 173.24 173.08 1yji s ARG 83 N -3.35 1.26 -0.25 12.44 1.81 -1.23 -4.98 118.95 124.66 1yji s ARG 83 Ca 0.74 -0.69 -0.24 0.00 -1.72 0.00 0.00 55.73 53.82 1yji s ARG 83 Cb -0.25 0.44 -0.01 0.00 -0.45 0.00 0.00 34.95 34.67 1yji s ARG 83 CO 0.30 -0.58 0.80 -0.51 -0.68 0.00 0.00 175.30 174.63 1yji s LEU 84 N -2.92 4.08 0.24 2.53 2.01 -1.26 -3.43 118.68 119.92 1yji s LEU 84 Ca 0.12 0.96 -0.06 0.00 0.01 0.00 0.00 54.13 55.16 1yji s LEU 84 Cb -0.02 -3.13 0.32 0.00 0.01 0.00 0.00 46.19 43.37 1yji s LEU 84 CO 0.02 -0.50 1.85 0.00 1.01 0.00 0.00 176.35 178.73 1yji n GLN 87 N -3.50 1.77 -4.38 0.00 -0.06 -0.59 -4.80 117.38 105.83 1yji n GLN 87 Ca -0.03 -1.73 -0.20 0.00 -2.00 0.00 0.00 57.00 53.04 1yji n GLN 87 Cb 0.09 -1.68 -0.14 0.00 -4.06 0.00 0.00 30.24 24.46 1yji n GLN 87 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1yji s ILE 88 N -2.10 1.07 -0.05 1.69 1.01 -0.87 -4.70 121.20 117.24 1yji s ILE 88 Ca 0.33 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1yji s ILE 88 Cb 0.27 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 1yji s ILE 88 CO 0.04 0.05 -0.22 -0.63 0.00 0.00 0.00 174.94 174.18 1yji s ILE 89 N -0.76 1.83 0.30 2.92 1.09 -1.26 -3.29 121.20 122.03 1yji s ILE 89 Ca 0.02 -0.94 -0.25 0.00 -1.10 0.00 0.00 60.65 58.39 1yji s ILE 89 Cb -0.07 -1.55 -0.10 0.00 -1.06 0.00 0.00 42.46 39.68 1yji s ILE 89 CO 0.01 0.51 0.90 -0.32 -0.10 0.00 0.00 174.94 175.94 1yji s MET 90 N -0.06 4.51 0.10 2.79 1.75 -0.79 -4.74 119.30 122.86 1yji s MET 90 Ca -0.05 1.23 0.06 0.00 -1.25 0.00 0.00 55.69 55.68 1yji s MET 90 Cb -0.13 -2.81 -0.03 0.00 2.84 0.00 0.00 34.83 34.70 1yji s MET 90 CO 0.03 0.30 -0.15 0.95 -0.65 0.00 0.00 175.02 175.50 1yji s THR 91 N -1.61 1.29 0.28 10.11 -4.23 -1.26 -3.06 115.64 117.16 1yji s THR 91 Ca 0.49 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1yji s THR 91 Cb -0.18 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.36 1yji s THR 91 CO 0.23 -0.31 1.72 1.55 -0.54 0.00 0.00 174.62 177.27 1yji h PRO 92 N 3.85 0.50 0.00 3.99 0.13 -1.93 -2.50 132.00 136.04 1yji h PRO 92 Ca -0.41 -0.19 -0.04 0.00 -0.87 0.00 0.00 66.00 64.50 1yji h PRO 92 Cb 1.19 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1yji h PRO 92 CO 0.46 0.71 -0.17 1.05 -0.23 0.00 0.00 178.00 179.81 1yji h GLU 93 N 0.44 0.00 -0.79 0.86 4.11 -2.03 -2.94 114.58 114.23 1yji h GLU 93 Ca 0.07 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 59.07 1yji h GLU 93 Cb 0.66 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.67 1yji h GLU 93 CO 0.05 0.17 0.41 1.28 0.07 0.00 0.00 179.01 180.99 1yji n LEU 94 N -3.36 5.96 -4.76 3.06 4.77 -0.95 -5.01 117.00 116.71 1yji n LEU 94 Ca 0.00 -3.74 -0.39 0.00 -0.03 0.00 0.00 56.01 51.85 1yji n LEU 94 Cb 0.39 -0.78 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1yji n LEU 94 CO 0.32 1.17 0.95 1.51 -1.33 0.00 0.00 177.39 180.01 1yji s ASP 95 N -1.78 5.89 0.00 -1.43 -4.77 -1.11 -3.65 116.67 109.82 1yji s ASP 95 Ca 0.54 2.64 0.00 0.00 -3.30 0.00 0.00 52.55 52.42 1yji s ASP 95 Cb 0.46 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.66 1yji s ASP 95 CO 0.06 -1.14 0.00 0.61 0.70 0.00 0.00 175.17 175.41 1yji n GLY 96 N 0.62 1.17 3.71 2.12 0.00 0.32 -4.77 105.19 108.37 1yji n GLY 96 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 2.61 -0.23 -0.61 2.07 -0.95 -4.81 121.20 117.27 1yji s ILE 97 Ca 0.00 0.37 -0.08 0.00 -1.41 0.00 0.00 60.65 59.53 1yji s ILE 97 Cb 0.00 -3.24 -0.04 0.00 0.13 0.00 0.00 42.46 39.31 1yji s ILE 97 CO 0.00 0.02 0.09 -0.69 -1.91 0.00 0.00 174.94 172.46 1yji s VAL 98 N 1.49 4.72 -0.10 4.00 1.01 -1.26 -1.26 120.40 128.99 1yji s VAL 98 Ca 0.72 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 1yji s VAL 98 Cb -0.44 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1yji s VAL 98 CO 0.32 0.36 -0.09 -0.69 0.00 0.00 0.00 175.10 175.01 1yji s VAL 99 N 1.18 3.51 -0.22 2.92 1.01 0.91 -0.79 120.40 128.93 1yji s VAL 99 Ca 0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1yji s VAL 99 Cb -0.14 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1yji s VAL 99 CO 0.04 0.55 0.00 -1.81 0.00 0.00 0.00 175.10 173.89 1yji s ASP 100 N -0.23 4.75 -0.20 3.32 1.01 0.59 0.20 116.67 126.11 1yji s ASP 100 Ca 0.02 -0.25 -0.04 0.00 0.71 0.00 0.00 52.55 52.99 1yji s ASP 100 Cb -0.13 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 1yji s ASP 100 CO 0.03 0.02 -0.03 -0.69 0.21 0.00 0.00 175.17 174.71 1yji s VAL 101 N 1.25 3.65 0.73 -1.27 1.01 -0.05 0.18 120.40 125.91 1yji s VAL 101 Ca 0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1yji s VAL 101 Cb -0.15 -2.65 0.16 0.00 0.00 0.00 0.00 36.38 33.75 1yji s VAL 101 CO 0.01 0.43 1.00 -0.81 0.00 0.00 0.00 175.10 175.73 1yji n PRO 102 N 4.40 -0.58 0.14 2.72 -0.04 -1.26 -3.26 135.00 137.11 1yji n PRO 102 Ca -0.18 -2.02 0.11 0.00 -0.04 0.00 0.00 63.50 61.38 1yji n PRO 102 Cb 0.51 -0.88 0.05 0.00 -0.04 0.00 0.00 33.50 33.14 1yji n PRO 102 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1yji h ASP 103 N -1.02 0.00 -3.58 3.54 1.82 -1.97 -3.39 116.42 111.81 1yji h ASP 103 Ca -0.33 0.00 -0.76 0.00 -0.39 0.00 0.00 57.03 55.55 1yji h ASP 103 Cb 1.02 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.73 1yji h ASP 103 CO 0.28 0.02 0.19 -0.13 -1.61 0.00 0.00 179.24 177.99 1yji s ARG 104 N -3.31 3.75 0.31 0.28 1.81 -1.26 -4.83 118.95 115.70 1yji s ARG 104 Ca 0.02 -3.08 0.18 0.00 -1.72 0.00 0.00 55.73 51.13 1yji s ARG 104 Cb 0.08 -4.32 0.13 0.00 -0.45 0.00 0.00 34.95 30.40 1yji s ARG 104 CO 0.76 -1.25 1.44 -0.56 -0.68 0.00 0.00 175.30 175.00 1yji h GLN 105 N 6.68 0.00 0.00 3.54 3.07 -1.87 -3.39 115.11 123.13 1yji h GLN 105 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 1yji h GLN 105 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.45 1yji h GLN 105 CO 0.91 0.31 0.00 1.87 0.09 0.00 0.00 178.83 182.01