#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 4.07 -0.30 1.43 -0.14 -1.26 -2.54 119.74 121.00 1yji s LYS 2 Ca 0.00 1.31 -0.01 0.00 -1.36 0.00 0.00 55.97 55.91 1yji s LYS 2 Cb 0.00 -3.79 0.05 0.00 -1.68 0.00 0.00 37.83 32.42 1yji s LYS 2 CO 0.00 -0.91 -0.02 0.08 -0.76 0.00 0.00 175.35 173.74 1yji s VAL 3 N 3.84 2.83 -0.75 3.17 1.01 -1.00 -0.83 120.40 128.67 1yji s VAL 3 Ca 0.52 -1.46 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 1yji s VAL 3 Cb -0.16 -2.64 0.18 0.00 0.00 0.00 0.00 36.38 33.75 1yji s VAL 3 CO 0.17 -0.11 0.72 -0.69 0.00 0.00 0.00 175.10 175.19 1yji s VAL 4 N 1.22 5.40 -0.23 2.92 1.01 -0.51 -0.86 120.40 129.35 1yji s VAL 4 Ca -0.05 -2.07 -0.29 0.00 0.00 0.00 0.00 61.98 59.57 1yji s VAL 4 Cb -0.20 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1yji s VAL 4 CO -0.02 -1.03 1.73 -0.31 0.00 0.00 0.00 175.10 175.47 1yji s TYR 5 N 0.86 1.90 -0.32 5.22 1.51 0.47 -1.80 117.35 125.18 1yji s TYR 5 Ca 0.15 0.49 -0.13 0.00 -1.01 0.00 0.00 57.07 56.56 1yji s TYR 5 Cb -0.16 -4.03 -0.02 0.00 -0.11 0.00 0.00 41.96 37.64 1yji s TYR 5 CO -0.05 -3.23 0.27 0.08 -1.11 0.00 0.00 175.55 171.51 1yji s VAL 6 N 5.79 5.26 0.00 0.71 1.01 0.46 -1.27 120.40 132.36 1yji s VAL 6 Ca 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1yji s VAL 6 Cb -0.26 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1yji s VAL 6 CO 0.32 0.04 0.00 -1.54 0.00 0.00 0.00 175.10 173.92 1yji n SER 7 N 5.18 0.00 -0.10 3.32 3.41 -0.23 -1.04 113.62 124.16 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 0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.83 0.54 7.33 1.44 -1.23 -4.02 115.22 119.93 1yji n HIS 8 Ca 0.00 0.32 0.04 0.00 -2.01 0.00 0.00 57.72 56.07 1yji n HIS 8 Cb 0.00 -1.09 0.21 0.00 0.12 0.00 0.00 29.99 29.23 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 -4.25 0.00 0.00 4.39 5.68 -1.26 -4.74 116.55 116.37 1yji n ASP 9 Ca -0.37 -0.32 0.00 0.00 -0.50 0.00 0.00 54.79 53.60 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 -0.42 0.67 3.71 6.12 0.00 -1.26 -5.03 105.19 108.99 1yji n GLY 10 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.42 2.87 0.01 2.61 2.01 -1.26 -4.75 115.64 114.71 1yji s THR 11 Ca 0.00 0.58 0.02 0.00 0.31 0.00 0.00 61.69 62.60 1yji s THR 11 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1yji s THR 11 CO 0.00 0.04 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.83 1yji s ARG 12 N 1.42 2.74 -0.16 4.92 0.52 -1.26 -1.06 118.95 126.06 1yji s ARG 12 Ca 0.69 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 55.25 1yji s ARG 12 Cb -0.41 -2.64 0.04 0.00 0.52 0.00 0.00 34.95 32.46 1yji s ARG 12 CO 0.31 0.61 -0.04 1.03 0.02 0.00 0.00 175.30 177.24 1yji s ARG 13 N -1.62 1.28 -0.25 3.54 0.52 -0.40 -4.95 118.95 117.07 1yji s ARG 13 Ca 0.20 -0.47 -0.12 0.00 -0.52 0.00 0.00 55.73 54.82 1yji s ARG 13 Cb -0.11 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 1yji s ARG 13 CO 0.11 -0.45 0.23 -1.21 0.02 0.00 0.00 175.30 174.00 1yji s GLU 14 N 1.68 4.04 0.00 3.54 2.02 -1.26 -0.40 118.70 128.33 1yji s GLU 14 Ca 0.01 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1yji s GLU 14 Cb -0.15 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.49 1yji s GLU 14 CO -0.07 -0.07 0.00 1.28 0.02 0.00 0.00 175.26 176.42 1yji n LEU 15 N 4.67 0.00 -3.67 1.80 4.77 -0.04 -4.91 117.00 119.62 1yji n LEU 15 Ca -0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 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 0.35 0.00 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.47 1yji s ASP 16 N -0.21 3.87 -0.30 -1.43 2.15 -1.26 -2.38 116.67 117.12 1yji s ASP 16 Ca 0.00 -1.55 -0.11 0.00 0.43 0.00 0.00 52.55 51.32 1yji s ASP 16 Cb 0.00 -0.71 -0.03 0.00 -0.30 0.00 0.00 42.92 41.88 1yji s ASP 16 CO 0.00 -0.42 0.19 -0.69 -0.17 0.00 0.00 175.17 174.08 1yji s VAL 17 N 1.74 5.07 1.08 1.11 1.01 -1.05 -4.75 120.40 124.61 1yji s VAL 17 Ca 0.10 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 1yji s VAL 17 Cb -0.17 -3.50 0.24 0.00 0.00 0.00 0.00 36.38 32.95 1yji s VAL 17 CO -0.28 0.15 1.22 0.00 0.00 0.00 0.00 175.10 176.19 1yji s ALA 18 N 1.71 1.45 0.17 5.51 0.00 -1.26 -1.98 121.76 127.36 1yji s ALA 18 Ca 0.06 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.62 1yji s ALA 18 Cb -0.17 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 1yji s ALA 18 CO 0.09 -3.00 1.55 0.16 0.00 0.00 0.00 175.76 174.56 1yji s ASP 19 N -4.42 6.60 0.00 0.00 -4.77 -1.25 -2.30 116.67 110.54 1yji s ASP 19 Ca 0.73 2.60 0.00 0.00 -3.30 0.00 0.00 52.55 52.58 1yji s ASP 19 Cb -0.06 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1yji s ASP 19 CO 0.54 -0.81 0.00 0.61 0.70 0.00 0.00 175.17 176.22 1yji n GLY 20 N 3.62 2.74 3.73 2.12 0.00 -1.02 -4.98 105.19 111.40 1yji n GLY 20 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.13 4.36 0.22 1.61 1.01 -0.97 -4.76 120.40 119.74 1yji s VAL 21 Ca 0.00 1.95 -0.29 0.00 0.00 0.00 0.00 61.98 63.64 1yji s VAL 21 Cb 0.00 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1yji s VAL 21 CO 0.00 0.30 0.92 -0.94 0.00 0.00 0.00 175.10 175.37 1yji s SER 22 N 0.05 7.61 0.49 3.32 1.04 -1.25 -1.49 113.70 123.46 1yji s SER 22 Ca 0.48 1.90 0.34 0.00 0.48 0.00 0.00 55.95 59.15 1yji s SER 22 Cb -0.25 -2.59 1.46 0.00 0.10 0.00 0.00 66.02 64.74 1yji s SER 22 CO 0.31 0.16 1.70 -0.07 0.98 0.00 0.00 173.24 176.32 1yji h LEU 23 N 4.23 0.16 -0.13 2.42 3.38 -1.72 1.24 115.31 124.89 1yji h LEU 23 Ca -0.45 0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.35 1yji h LEU 23 Cb 1.20 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1yji h LEU 23 CO 0.68 -0.04 -0.99 -0.03 0.09 0.00 0.00 178.44 178.16 1yji h MET 24 N 0.10 0.20 0.62 1.13 4.05 -1.91 -3.04 114.93 116.09 1yji h MET 24 Ca 0.72 -0.26 -0.03 0.00 -0.28 0.00 0.00 59.70 59.85 1yji h MET 24 Cb 2.49 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 33.37 1yji h MET 24 CO -0.19 1.03 -0.33 1.96 0.23 0.00 0.00 176.91 179.62 1yji h GLN 25 N 0.09 -0.85 -0.12 0.39 1.08 0.12 -1.78 115.11 114.05 1yji h GLN 25 Ca -0.06 0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1yji h GLN 25 Cb 1.66 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 29.28 1yji h GLN 25 CO 0.15 -0.56 0.12 0.00 -0.95 0.00 0.00 178.83 177.58 1yji h ALA 26 N -0.52 1.80 -0.02 3.87 0.00 -1.55 0.17 119.26 123.00 1yji h ALA 26 Ca -0.08 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1yji h ALA 26 Cb 0.69 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1yji h ALA 26 CO 0.12 -0.18 0.07 0.00 0.00 0.00 0.00 179.25 179.26 1yji h ALA 27 N 1.88 1.23 0.00 0.00 0.00 -1.19 0.15 119.26 121.33 1yji h ALA 27 Ca 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1yji h ALA 27 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1yji h ALA 27 CO -0.00 -0.08 -0.94 0.28 0.00 0.00 0.00 179.25 178.52 1yji h VAL 28 N 0.00 0.40 0.00 0.00 2.07 -0.63 1.25 116.25 119.34 1yji h VAL 28 Ca 0.01 -1.68 -0.16 0.00 0.82 0.00 0.00 66.70 65.69 1yji h VAL 28 Cb 0.14 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1yji h VAL 28 CO -0.00 0.23 -0.77 -1.28 0.02 0.00 0.00 177.57 175.76 1yji h SER 29 N 0.00 0.00 -0.01 0.57 0.87 -0.72 -3.02 113.55 111.23 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 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1yji h SER 29 CO 0.03 0.77 -0.30 0.59 -0.53 0.00 0.00 176.83 177.39 1yji n ASN 30 N -3.59 1.83 -2.74 6.23 3.02 -0.98 -5.01 115.26 114.02 1yji n ASN 30 Ca -0.01 -1.42 -0.00 0.00 -0.03 0.00 0.00 54.58 53.12 1yji n ASN 30 Cb 0.76 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 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 1.17 -1.06 1.17 7.41 0.00 -0.19 -5.01 105.19 108.68 1yji n GLY 31 Ca 0.08 0.38 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 -1.54 0.67 0.80 -0.61 5.41 0.41 -4.82 119.36 119.68 1yji n ILE 32 Ca 0.01 0.22 0.12 0.00 1.00 0.00 0.00 62.75 64.10 1yji n ILE 32 Cb 0.49 -1.22 0.22 0.00 -0.71 0.00 0.00 39.64 38.42 1yji n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1yji n TYR 33 N -3.13 0.23 -0.36 1.39 4.01 -1.24 -4.54 117.16 113.52 1yji n TYR 33 Ca 0.00 -0.11 0.32 0.00 -0.16 0.00 0.00 57.90 57.95 1yji n TYR 33 Cb 0.00 0.00 0.56 0.00 -0.31 0.00 0.00 39.34 39.59 1yji n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1yji n ASP 34 N 1.17 0.23 0.00 7.72 5.75 -1.26 -4.67 116.55 125.49 1yji n ASP 34 Ca 0.17 1.31 0.00 0.00 -0.01 0.00 0.00 54.79 56.26 1yji n ASP 34 Cb 0.55 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 -4.67 0.00 -0.95 2.12 5.41 -1.26 -4.61 119.36 115.40 1yji n ILE 35 Ca 0.35 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.80 1yji n ILE 35 Cb 1.28 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 40.22 1yji n ILE 35 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1yji n VAL 36 N 0.00 0.00 -4.24 1.39 0.24 -1.26 -4.99 118.33 109.47 1yji n VAL 36 Ca 0.00 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.76 1yji n VAL 36 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 1yji n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1yji s GLY 37 N -0.78 1.76 0.00 7.63 0.00 -1.26 -5.10 107.32 109.58 1yji s GLY 37 Ca 0.43 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1yji s GLY 37 CO 0.53 -1.45 0.00 1.22 0.00 0.00 0.00 173.10 173.40 1yji n ASP 38 N -0.69 0.00 0.00 1.64 8.00 -1.26 -4.30 116.55 119.94 1yji n ASP 38 Ca 0.03 0.10 0.02 0.00 0.71 0.00 0.00 54.79 55.65 1yji n ASP 38 Cb 0.65 -0.17 0.10 0.00 -0.02 0.00 0.00 41.12 41.68 1yji n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yji n GLY 40 N 0.02 0.00 0.00 0.00 0.00 -1.26 -3.29 105.19 100.66 1yji n GLY 40 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.36 0.64 1.15 -0.02 0.00 -1.26 -5.07 105.19 100.99 1yji n GLY 41 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 1yji n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yji n SER 42 N 0.00 -1.01 -3.41 1.61 2.88 -1.21 -4.96 113.62 107.53 1yji n SER 42 Ca 0.00 -1.95 -0.13 0.00 -1.33 0.00 0.00 58.87 55.47 1yji n SER 42 Cb 0.00 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1yji n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yji n ALA 43 N -0.15 -2.65 -1.75 -1.46 0.00 -1.26 -4.90 120.51 108.33 1yji n ALA 43 Ca -0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 1yji n ALA 43 Cb 0.70 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.11 -0.09 -3.80 0.00 2.88 -1.26 -5.00 113.62 104.24 1yji n SER 44 Ca -0.15 -0.82 -0.05 0.00 -1.33 0.00 0.00 58.87 56.52 1yji n SER 44 Cb 0.60 0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 64.07 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 -0.47 2.43 -0.15 0.00 0.00 -1.26 -4.51 120.51 116.55 1yji n ALA 46 Ca -0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 53.44 52.41 1yji n ALA 46 Cb 0.60 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 4.39 0.22 -0.97 0.00 2.02 -1.35 0.83 112.91 118.05 1yji h THR 47 Ca 0.00 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.71 1yji h THR 47 Cb 0.96 0.22 -0.17 0.00 -1.74 0.00 0.00 68.15 67.41 1yji h THR 47 CO 0.00 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.30 1yji s HIS 49 N -1.80 2.06 0.28 0.00 5.04 0.28 -2.01 115.29 119.14 1yji s HIS 49 Ca 0.54 0.24 0.02 0.00 -1.54 0.00 0.00 55.06 54.32 1yji s HIS 49 Cb 0.36 -4.43 -0.05 0.00 0.04 0.00 0.00 32.58 28.50 1yji s HIS 49 CO -0.18 -2.15 0.10 0.14 -2.34 0.00 0.00 174.74 170.30 1yji s VAL 50 N 6.98 0.62 -0.26 0.89 -7.23 -1.18 -4.38 120.40 115.84 1yji s VAL 50 Ca 0.47 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1yji s VAL 50 Cb -0.09 -2.64 0.04 0.00 0.56 0.00 0.00 36.38 34.25 1yji s VAL 50 CO 0.16 0.00 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.57 1yji s TYR 51 N -3.67 3.13 -0.08 2.82 2.02 0.88 -3.01 117.35 119.43 1yji s TYR 51 Ca 0.37 -1.80 -0.23 0.00 -0.37 0.00 0.00 57.07 55.04 1yji s TYR 51 Cb 0.07 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1yji s TYR 51 CO 0.14 -0.78 0.69 0.08 -1.57 0.00 0.00 175.55 174.11 1yji s VAL 52 N 1.26 5.04 -0.03 0.71 1.01 -1.26 0.26 120.40 127.39 1yji s VAL 52 Ca -0.03 1.42 -0.38 0.00 0.00 0.00 0.00 61.98 62.99 1yji s VAL 52 Cb -0.18 -4.03 -0.17 0.00 0.00 0.00 0.00 36.38 32.00 1yji s VAL 52 CO -0.04 0.23 1.40 -3.20 0.00 0.00 0.00 175.10 173.49 1yji n ASN 53 N 3.95 1.56 -0.00 3.32 5.15 -0.26 -4.67 115.26 124.31 1yji n ASN 53 Ca -0.01 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 1yji n ASN 53 Cb 0.51 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 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 3.08 0.00 0.01 1.20 0.28 -1.26 -1.24 120.64 122.70 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 0.15 -1.00 -0.15 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 -0.39 2.78 0.31 -1.84 0.00 -1.26 -4.31 120.51 115.79 1yji n ALA 55 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 53.44 52.99 1yji n ALA 55 Cb 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.31 0.00 -0.08 0.00 3.01 -0.37 -4.59 117.46 113.11 1yji n PHE 56 Ca -0.03 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.29 1yji n PHE 56 Cb 0.57 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.99 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 0.44 1.31 -0.12 4.37 1.35 -1.73 0.22 112.91 118.76 1yji h THR 57 Ca 0.00 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1yji h THR 57 Cb 0.20 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1yji h THR 57 CO 0.00 0.44 0.00 -0.90 -0.25 0.00 0.00 175.52 174.81 1yji n ASP 58 N -4.35 1.16 0.00 5.36 5.75 -1.26 -3.64 116.55 119.57 1yji n ASP 58 Ca -0.04 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1yji n ASP 58 Cb 0.44 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 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 -0.02 0.38 -2.36 0.11 5.02 -1.03 -5.05 118.16 115.21 1yji n LYS 59 Ca 0.05 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.07 1yji n LYS 59 Cb 0.24 -0.88 0.03 0.00 -0.02 0.00 0.00 35.03 34.40 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 -1.76 3.66 -0.36 -0.18 0.11 0.74 -4.93 120.40 117.67 1yji s VAL 60 Ca 0.00 0.04 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 1yji s VAL 60 Cb 0.00 -3.46 -0.06 0.00 -1.53 0.00 0.00 36.38 31.33 1yji s VAL 60 CO 0.00 -0.48 2.33 -0.81 -3.33 0.00 0.00 175.10 172.80 1yji n PRO 61 N -2.61 1.47 -2.29 1.54 -0.04 -1.26 -4.86 135.00 126.93 1yji n PRO 61 Ca 0.05 0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 63.35 1yji n PRO 61 Cb 0.57 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.69 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 10.28 2.71 0.28 0.55 0.00 -1.26 -4.83 121.76 129.49 1yji s ALA 62 Ca 1.00 -0.58 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 1yji s ALA 62 Cb -0.27 -4.13 -0.15 0.00 0.00 0.00 0.00 23.12 18.57 1yji s ALA 62 CO 0.31 -3.07 0.84 0.00 0.00 0.00 0.00 175.76 173.84 1yji n ALA 63 N 10.17 -1.03 -1.00 0.00 0.00 -1.26 -4.94 120.51 122.45 1yji n ALA 63 Ca 0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1yji n ALA 63 Cb 0.49 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 1.41 -1.83 0.00 0.00 0.23 -1.26 -4.73 115.26 109.09 1yji n ASN 64 Ca 0.12 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.21 1yji n ASN 64 Cb 0.31 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.25 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 -1.83 0.27 -0.07 -3.83 0.28 -1.26 -2.84 120.64 111.36 1yji n GLU 65 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1yji n GLU 65 Cb 0.00 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.33 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 0.48 -0.01 3.44 3.08 -2.00 -3.20 114.38 116.17 1yji h ARG 66 Ca 0.00 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 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 0.81 -0.07 1.49 -1.07 0.00 0.00 179.97 181.13 1yji h GLU 67 N 0.16 0.07 0.00 0.04 4.81 -1.81 -3.14 114.58 114.71 1yji h GLU 67 Ca 0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1yji h GLU 67 Cb 0.71 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1yji h GLU 67 CO 0.04 0.74 0.72 0.82 -0.73 0.00 0.00 179.01 180.61 1yji h ILE 68 N -0.58 0.00 0.00 2.32 5.03 -1.66 0.25 117.51 122.87 1yji h ILE 68 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1yji h ILE 68 Cb 0.76 0.27 0.00 0.00 -3.03 0.00 0.00 36.82 34.81 1yji h ILE 68 CO 0.02 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.10 1yji n GLY 69 N -1.38 0.18 0.36 5.37 0.00 -1.18 -2.57 105.19 105.96 1yji n GLY 69 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 0.45 -0.58 1.61 -0.00 -1.55 2.38 114.93 117.25 1yji h MET 70 Ca 0.00 -0.03 0.08 0.00 -0.00 0.00 0.00 59.70 59.75 1yji h MET 70 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 31.46 1yji h MET 70 CO 0.00 0.30 0.38 -0.07 -0.00 0.00 0.00 176.91 177.52 1yji h LEU 71 N 0.46 0.42 -0.23 -0.10 3.38 -1.10 0.99 115.31 119.13 1yji h LEU 71 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1yji h LEU 71 Cb 1.45 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1yji h LEU 71 CO -0.47 0.26 0.00 1.21 0.09 0.00 0.00 178.44 179.53 1yji n GLU 72 N -4.47 0.69 -2.03 1.13 4.07 0.80 -2.96 120.64 117.87 1yji n GLU 72 Ca 0.09 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.15 1yji n GLU 72 Cb 0.30 -1.08 0.06 0.00 -0.06 0.00 0.00 31.44 30.66 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 -2.94 2.49 -0.89 0.00 -7.23 -1.15 -4.92 120.40 105.76 1yji s VAL 74 Ca 0.35 -0.89 0.17 0.00 -1.81 0.00 0.00 61.98 59.80 1yji s VAL 74 Cb 0.36 -2.60 -0.16 0.00 0.56 0.00 0.00 36.38 34.55 1yji s VAL 74 CO -0.06 0.00 0.73 0.41 -0.31 0.00 0.00 175.10 175.87 1yji n THR 75 N -2.23 0.00 -3.54 5.32 -1.04 -1.26 -5.00 114.28 106.54 1yji n THR 75 Ca 0.12 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.05 61.79 1yji n THR 75 Cb 0.60 1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 70.11 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 -2.49 4.09 -0.47 2.41 0.00 -1.26 -5.01 121.76 119.02 1yji s ALA 76 Ca 0.07 -1.88 -0.31 0.00 0.00 0.00 0.00 51.96 49.85 1yji s ALA 76 Cb 0.13 -1.04 -0.11 0.00 0.00 0.00 0.00 23.12 22.10 1yji s ALA 76 CO 0.65 -0.23 2.35 -1.91 0.00 0.00 0.00 175.76 176.61 1yji n GLU 77 N -1.57 1.03 -2.46 0.00 2.13 -1.26 -4.91 120.64 113.60 1yji n GLU 77 Ca 0.04 0.19 -0.40 0.00 0.66 0.00 0.00 57.16 57.64 1yji n GLU 77 Cb 0.62 -2.74 -0.04 0.00 0.27 0.00 0.00 31.44 29.54 1yji n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1yji s LEU 78 N 9.31 4.51 0.19 4.31 2.96 -1.26 -5.02 118.68 133.69 1yji s LEU 78 Ca 1.09 2.27 0.04 0.00 -0.22 0.00 0.00 54.13 57.32 1yji s LEU 78 Cb -0.63 -3.68 -0.03 0.00 0.50 0.00 0.00 46.19 42.36 1yji s LEU 78 CO 0.40 -0.19 0.26 -0.54 -1.32 0.00 0.00 176.35 174.96 1yji s LYS 79 N -1.55 3.25 0.62 1.98 -0.14 -1.26 -4.96 119.74 117.68 1yji s LYS 79 Ca 0.46 -0.77 0.40 0.00 -1.36 0.00 0.00 55.97 54.69 1yji s LYS 79 Cb -0.32 -2.82 2.15 0.00 -1.68 0.00 0.00 37.83 35.17 1yji s LYS 79 CO 0.41 0.47 2.21 -1.00 -0.76 0.00 0.00 175.35 176.67 1yji h PRO 80 N 1.81 0.00 0.00 -1.68 0.13 -2.02 -0.79 132.00 129.45 1yji h PRO 80 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1yji h PRO 80 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1yji h PRO 80 CO 0.64 0.00 -0.44 0.27 -0.23 0.00 0.00 178.00 178.24 1yji n ASN 81 N -2.94 1.75 -4.43 1.44 0.23 -1.26 -5.07 115.26 104.98 1yji n ASN 81 Ca -0.03 -3.55 -0.29 0.00 -0.53 0.00 0.00 54.58 50.18 1yji n ASN 81 Cb 0.11 -0.48 0.24 0.00 -2.08 0.00 0.00 39.78 37.57 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 -1.04 -1.89 -3.59 0.53 7.64 -0.30 -4.33 113.62 110.64 1yji n SER 82 Ca 0.17 -0.16 -0.08 0.00 1.01 0.00 0.00 58.87 59.81 1yji n SER 82 Cb 0.71 -1.20 -0.05 0.00 -1.01 0.00 0.00 64.21 62.67 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 -4.21 0.43 -0.76 1.43 0.52 -1.17 -4.93 118.95 110.27 1yji s ARG 83 Ca 0.66 0.09 -0.21 0.00 -0.52 0.00 0.00 55.73 55.75 1yji s ARG 83 Cb -0.23 0.20 0.09 0.00 0.52 0.00 0.00 34.95 35.54 1yji s ARG 83 CO 0.66 -0.14 1.02 -0.51 0.02 0.00 0.00 175.30 176.34 1yji s LEU 84 N -1.15 4.66 0.25 2.53 1.43 -1.26 -3.11 118.68 122.03 1yji s LEU 84 Ca 0.02 -1.40 0.11 0.00 -1.03 0.00 0.00 54.13 51.83 1yji s LEU 84 Cb -0.01 -2.41 0.83 0.00 0.03 0.00 0.00 46.19 44.64 1yji s LEU 84 CO -0.02 -1.29 1.12 0.00 0.23 0.00 0.00 176.35 176.39 1yji n GLN 87 N -4.09 1.87 -4.29 0.00 -0.06 0.30 -4.83 117.38 106.28 1yji n GLN 87 Ca -0.02 -1.83 -0.16 0.00 -2.00 0.00 0.00 57.00 52.99 1yji n GLN 87 Cb 0.27 -1.72 -0.10 0.00 -4.06 0.00 0.00 30.24 24.63 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 -2.42 1.29 -0.05 1.69 -1.09 -1.01 -4.76 121.20 114.85 1yji s ILE 88 Ca 0.36 -2.09 0.01 0.00 -2.23 0.00 0.00 60.65 56.69 1yji s ILE 88 Cb 0.29 -2.00 0.02 0.00 -1.58 0.00 0.00 42.46 39.18 1yji s ILE 88 CO 0.02 -0.62 -0.05 -0.63 -1.23 0.00 0.00 174.94 172.43 1yji s ILE 89 N -3.25 0.59 0.50 2.92 1.09 -1.26 -3.95 121.20 117.83 1yji s ILE 89 Ca 0.21 -0.14 -0.02 0.00 -1.10 0.00 0.00 60.65 59.60 1yji s ILE 89 Cb 0.02 -0.61 -0.00 0.00 -1.06 0.00 0.00 42.46 40.81 1yji s ILE 89 CO 0.04 0.24 0.75 -0.32 -0.10 0.00 0.00 174.94 175.55 1yji s MET 90 N 1.00 3.05 -0.06 2.79 1.75 -0.55 -4.63 119.30 122.65 1yji s MET 90 Ca -0.10 -0.28 -0.13 0.00 -1.25 0.00 0.00 55.69 53.94 1yji s MET 90 Cb -0.14 -2.45 0.02 0.00 2.84 0.00 0.00 34.83 35.10 1yji s MET 90 CO -0.00 -0.40 0.30 0.95 -0.65 0.00 0.00 175.02 175.21 1yji s THR 91 N -2.71 0.03 0.31 10.11 -4.23 -1.26 -2.44 115.64 115.46 1yji s THR 91 Ca 0.50 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1yji s THR 91 Cb -0.10 -0.53 0.27 0.00 1.34 0.00 0.00 72.50 73.48 1yji s THR 91 CO 0.41 -0.16 1.95 1.55 -0.54 0.00 0.00 174.62 177.83 1yji h PRO 92 N 4.67 0.98 -0.06 3.99 0.13 -1.87 -0.73 132.00 139.11 1yji h PRO 92 Ca -0.28 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1yji h PRO 92 Cb 1.18 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1yji h PRO 92 CO 0.36 0.65 0.04 1.05 -0.23 0.00 0.00 178.00 179.88 1yji h GLU 93 N 1.01 0.00 -1.19 0.86 4.11 -1.98 -1.30 114.58 116.10 1yji h GLU 93 Ca 0.32 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 59.33 1yji h GLU 93 Cb 0.03 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.08 1yji h GLU 93 CO -0.09 0.00 0.54 1.28 0.07 0.00 0.00 179.01 180.81 1yji n LEU 94 N -4.45 6.41 -4.75 3.06 4.77 -0.28 -4.97 117.00 116.79 1yji n LEU 94 Ca -0.02 -3.40 -0.41 0.00 -0.03 0.00 0.00 56.01 52.15 1yji n LEU 94 Cb 0.15 -0.91 -0.02 0.00 -2.33 0.00 0.00 43.42 40.31 1yji n LEU 94 CO 0.34 1.15 1.08 1.51 -1.33 0.00 0.00 177.39 180.13 1yji s ASP 95 N -0.61 6.67 0.00 -1.43 -4.77 -0.49 -3.44 116.67 112.59 1yji s ASP 95 Ca 0.42 2.69 0.00 0.00 -3.30 0.00 0.00 52.55 52.36 1yji s ASP 95 Cb 0.34 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.54 1yji s ASP 95 CO 0.03 -0.67 0.00 0.61 0.70 0.00 0.00 175.17 175.83 1yji n GLY 96 N 1.82 1.22 3.69 2.12 0.00 -0.01 -4.73 105.19 109.31 1yji n GLY 96 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.23 -0.30 -0.61 1.10 -0.88 -4.85 121.20 116.90 1yji s ILE 97 Ca 0.00 0.64 -0.09 0.00 -0.51 0.00 0.00 60.65 60.69 1yji s ILE 97 Cb 0.00 -3.41 -0.01 0.00 0.15 0.00 0.00 42.46 39.19 1yji s ILE 97 CO 0.00 -0.01 0.14 -0.69 -2.11 0.00 0.00 174.94 172.27 1yji s VAL 98 N 2.71 4.54 -0.16 4.00 1.01 -1.26 -1.42 120.40 129.81 1yji s VAL 98 Ca 0.72 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 1yji s VAL 98 Cb -0.37 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1yji s VAL 98 CO 0.31 0.10 0.13 -0.69 0.00 0.00 0.00 175.10 174.95 1yji s VAL 99 N 1.61 5.45 -0.21 2.92 1.01 -0.75 -1.10 120.40 129.33 1yji s VAL 99 Ca 0.05 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1yji s VAL 99 Cb -0.17 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1yji s VAL 99 CO 0.06 0.53 -0.01 -1.81 0.00 0.00 0.00 175.10 173.87 1yji s ASP 100 N -0.36 4.64 -0.15 3.32 1.11 0.73 0.17 116.67 126.14 1yji s ASP 100 Ca 0.12 -0.27 -0.01 0.00 0.18 0.00 0.00 52.55 52.56 1yji s ASP 100 Cb -0.12 -1.80 -0.01 0.00 1.07 0.00 0.00 42.92 42.06 1yji s ASP 100 CO 0.01 0.03 -0.11 -0.69 1.18 0.00 0.00 175.17 175.59 1yji s VAL 101 N 1.20 3.17 0.86 -1.27 1.01 -0.21 0.30 120.40 125.46 1yji s VAL 101 Ca 0.03 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1yji s VAL 101 Cb -0.15 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 34.01 1yji s VAL 101 CO 0.00 0.51 1.21 -2.16 0.00 0.00 0.00 175.10 174.66 1yji s PRO 102 N 0.54 1.39 0.11 2.72 0.04 -1.26 -3.48 135.00 135.05 1yji s PRO 102 Ca -0.07 -0.24 0.27 0.00 0.04 0.00 0.00 61.00 61.00 1yji s PRO 102 Cb -0.15 -1.95 0.97 0.00 0.04 0.00 0.00 34.50 33.41 1yji s PRO 102 CO 0.04 -1.91 1.82 -0.40 0.04 0.00 0.00 177.00 176.59 1yji n ASP 103 N -3.44 0.46 -3.90 6.66 5.75 -1.26 -4.34 116.55 116.48 1yji n ASP 103 Ca 0.12 0.51 -0.29 0.00 -0.01 0.00 0.00 54.79 55.12 1yji n ASP 103 Cb 0.60 -0.62 -0.13 0.00 -1.03 0.00 0.00 41.12 39.94 1yji n ASP 103 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1yji s ARG 104 N -3.06 2.02 0.07 0.11 0.52 -1.26 -4.90 118.95 112.46 1yji s ARG 104 Ca 0.12 -2.76 0.03 0.00 -0.52 0.00 0.00 55.73 52.59 1yji s ARG 104 Cb 0.15 -3.20 -0.24 0.00 0.52 0.00 0.00 34.95 32.18 1yji s ARG 104 CO 0.57 -1.17 1.11 -0.56 0.02 0.00 0.00 175.30 175.27 1yji h GLN 105 N 6.17 0.12 0.00 3.54 3.07 -1.85 -3.38 115.11 122.78 1yji h GLN 105 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 58.54 1yji h GLN 105 Cb 0.85 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.49 1yji h GLN 105 CO 0.67 1.03 0.00 1.87 0.09 0.00 0.00 178.83 182.49