#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 3.66 -0.37 4.33 -0.14 -1.26 -2.01 119.74 123.94 1yji s LYS 2 Ca 0.00 0.64 -0.08 0.00 -1.36 0.00 0.00 55.97 55.17 1yji s LYS 2 Cb 0.00 -3.95 0.05 0.00 -1.68 0.00 0.00 37.83 32.24 1yji s LYS 2 CO 0.00 -1.47 0.17 0.08 -0.76 0.00 0.00 175.35 173.37 1yji s VAL 3 N 4.81 4.11 -0.58 3.17 1.01 -1.02 -0.33 120.40 131.57 1yji s VAL 3 Ca 0.52 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1yji s VAL 3 Cb -0.09 -3.37 0.14 0.00 0.00 0.00 0.00 36.38 33.05 1yji s VAL 3 CO 0.32 -0.29 0.57 -0.69 0.00 0.00 0.00 175.10 175.01 1yji s VAL 4 N 1.44 5.19 -0.26 2.92 1.01 -0.11 -0.51 120.40 130.07 1yji s VAL 4 Ca 0.01 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1yji s VAL 4 Cb -0.20 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1yji s VAL 4 CO 0.04 -0.94 1.44 -0.31 0.00 0.00 0.00 175.10 175.33 1yji s TYR 5 N 1.63 2.43 -0.39 5.22 2.02 -0.10 -1.01 117.35 127.15 1yji s TYR 5 Ca 0.06 0.73 -0.15 0.00 -0.37 0.00 0.00 57.07 57.34 1yji s TYR 5 Cb -0.27 -3.93 0.01 0.00 -0.40 0.00 0.00 41.96 37.37 1yji s TYR 5 CO 0.02 -2.26 0.33 0.08 -1.57 0.00 0.00 175.55 172.15 1yji s VAL 6 N 4.71 5.21 0.00 0.71 1.01 0.69 -2.33 120.40 130.40 1yji s VAL 6 Ca 0.63 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1yji s VAL 6 Cb -0.20 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1yji s VAL 6 CO 0.26 -0.26 0.00 -1.54 0.00 0.00 0.00 175.10 173.56 1yji n SER 7 N 5.29 0.00 -0.10 3.32 3.41 -0.27 -1.12 113.62 124.15 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 0.48 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.37 0.94 0.63 7.33 1.44 -1.25 -3.95 115.22 119.99 1yji n HIS 8 Ca 0.00 0.41 0.02 0.00 -2.01 0.00 0.00 57.72 56.14 1yji n HIS 8 Cb 0.00 -1.07 0.14 0.00 0.12 0.00 0.00 29.99 29.19 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 -4.44 0.00 0.00 4.39 5.68 -1.26 -4.73 116.55 116.19 1yji n ASP 9 Ca -0.31 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 1yji n ASP 9 Cb 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 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 -0.27 0.79 3.72 6.12 0.00 -1.25 -5.03 105.19 109.26 1yji n GLY 10 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.72 2.78 0.27 2.61 2.01 -1.26 -4.74 115.64 114.59 1yji s THR 11 Ca 0.00 0.54 0.08 0.00 0.31 0.00 0.00 61.69 62.62 1yji s THR 11 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1yji s THR 11 CO 0.00 0.04 0.13 -0.13 -0.69 0.00 0.00 174.62 173.97 1yji s ARG 12 N 1.23 2.65 -0.20 4.92 0.52 -1.26 -1.11 118.95 125.71 1yji s ARG 12 Ca 0.69 -1.23 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1yji s ARG 12 Cb -0.42 -2.39 0.10 0.00 0.52 0.00 0.00 34.95 32.76 1yji s ARG 12 CO 0.31 0.35 0.35 1.03 0.02 0.00 0.00 175.30 177.36 1yji s ARG 13 N -3.79 0.28 -0.21 3.54 0.52 -0.98 -4.95 118.95 113.35 1yji s ARG 13 Ca 0.33 0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 56.14 1yji s ARG 13 Cb -0.07 -0.18 -0.05 0.00 0.52 0.00 0.00 34.95 35.17 1yji s ARG 13 CO 0.23 -0.44 0.20 -1.21 0.02 0.00 0.00 175.30 174.10 1yji s GLU 14 N 2.52 4.14 0.24 3.54 2.02 -1.26 -0.92 118.70 128.99 1yji s GLU 14 Ca 0.05 -0.14 0.01 0.00 0.02 0.00 0.00 54.97 54.91 1yji s GLU 14 Cb -0.14 -3.49 0.01 0.00 0.10 0.00 0.00 34.13 30.62 1yji s GLU 14 CO -0.13 0.14 0.12 -0.11 0.02 0.00 0.00 175.26 175.30 1yji n LEU 15 N 4.00 0.00 -3.63 1.80 -0.00 0.33 -4.88 117.00 114.62 1yji n LEU 15 Ca -0.14 -1.33 -0.29 0.00 -0.00 0.00 0.00 56.01 54.24 1yji n LEU 15 Cb 0.52 0.05 -0.15 0.00 -0.00 0.00 0.00 43.42 43.83 1yji n LEU 15 CO 0.37 -0.33 -0.33 -1.81 -0.00 0.00 0.00 177.39 175.29 1yji s ASP 16 N -2.38 3.78 -0.28 1.96 1.11 -1.25 -2.42 116.67 117.20 1yji s ASP 16 Ca 0.09 -1.46 -0.07 0.00 0.18 0.00 0.00 52.55 51.29 1yji s ASP 16 Cb -0.01 -0.60 -0.00 0.00 1.07 0.00 0.00 42.92 43.39 1yji s ASP 16 CO 0.06 -0.43 0.07 -0.69 1.18 0.00 0.00 175.17 175.36 1yji s VAL 17 N 1.87 3.98 1.20 -1.27 1.01 -0.85 -4.73 120.40 121.60 1yji s VAL 17 Ca 0.09 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1yji s VAL 17 Cb -0.17 -2.99 0.30 0.00 0.00 0.00 0.00 36.38 33.52 1yji s VAL 17 CO -0.31 0.17 1.11 0.00 0.00 0.00 0.00 175.10 176.06 1yji n ALA 18 N 4.87 -3.22 -1.91 5.51 0.00 -1.26 -1.68 120.51 122.82 1yji n ALA 18 Ca -0.15 -1.63 -0.41 0.00 0.00 0.00 0.00 53.44 51.25 1yji n ALA 18 Cb 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 1yji n ALA 18 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1yji s ASP 19 N -4.57 6.94 0.00 0.00 -4.77 -1.25 -2.73 116.67 110.29 1yji s ASP 19 Ca 0.71 2.44 0.00 0.00 -3.30 0.00 0.00 52.55 52.39 1yji s ASP 19 Cb -0.06 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 1yji s ASP 19 CO 0.54 -0.45 0.00 0.61 0.70 0.00 0.00 175.17 176.57 1yji n GLY 20 N 1.77 2.95 3.74 2.12 0.00 -1.14 -4.99 105.19 109.63 1yji n GLY 20 Ca 0.03 0.00 -0.40 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 -1.95 4.19 0.37 1.61 1.01 -1.11 -4.81 120.40 119.72 1yji s VAL 21 Ca 0.00 2.08 -0.10 0.00 0.00 0.00 0.00 61.98 63.95 1yji s VAL 21 Cb 0.00 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1yji s VAL 21 CO 0.00 0.45 0.72 -0.94 0.00 0.00 0.00 175.10 175.33 1yji s SER 22 N -0.86 6.54 0.05 3.32 1.04 -1.26 -1.43 113.70 121.11 1yji s SER 22 Ca 0.42 1.08 -0.22 0.00 0.48 0.00 0.00 55.95 57.71 1yji s SER 22 Cb -0.25 -2.30 -0.11 0.00 0.10 0.00 0.00 66.02 63.46 1yji s SER 22 CO 0.31 -0.33 1.34 -0.07 0.98 0.00 0.00 173.24 175.47 1yji h LEU 23 N 1.50 -0.80 -0.89 2.42 -0.00 -1.72 0.79 115.31 116.60 1yji h LEU 23 Ca -0.47 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 1yji h LEU 23 Cb 1.19 0.25 0.00 0.00 -0.00 0.00 0.00 40.66 42.10 1yji h LEU 23 CO 0.65 -0.43 0.43 -0.03 -0.00 0.00 0.00 178.44 179.06 1yji h MET 24 N -0.66 0.00 0.02 1.13 4.05 -1.89 -1.78 114.93 115.79 1yji h MET 24 Ca -0.05 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1yji h MET 24 Cb 0.55 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1yji h MET 24 CO 0.01 0.00 -0.01 0.37 0.23 0.00 0.00 176.91 177.51 1yji h GLN 25 N 0.00 -0.02 -0.08 0.39 -0.00 -1.19 -3.31 115.11 110.90 1yji h GLN 25 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1yji h GLN 25 Cb 0.86 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.34 1yji h GLN 25 CO 0.00 -0.01 0.26 0.00 0.00 0.00 0.00 178.83 179.07 1yji h ALA 26 N -1.82 1.44 0.00 3.38 0.00 -0.84 0.38 119.26 121.81 1yji h ALA 26 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yji h ALA 26 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1yji h ALA 26 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.96 1yji h ALA 27 N 1.56 1.00 0.00 0.00 0.00 -1.43 -0.97 119.26 119.43 1yji h ALA 27 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1yji h ALA 27 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1yji h ALA 27 CO -0.00 0.00 -1.00 0.28 0.00 0.00 0.00 179.25 178.53 1yji h VAL 28 N 0.00 0.43 0.00 0.00 2.07 -0.31 0.98 116.25 119.42 1yji h VAL 28 Ca 0.00 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 65.65 1yji h VAL 28 Cb 0.23 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1yji h VAL 28 CO 0.00 0.25 -0.60 -1.28 0.02 0.00 0.00 177.57 175.96 1yji h SER 29 N 0.00 0.00 -0.02 0.57 0.87 -1.21 -3.11 113.55 110.65 1yji h SER 29 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1yji h SER 29 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1yji h SER 29 CO 0.04 0.60 -0.05 0.59 -0.53 0.00 0.00 176.83 177.48 1yji n ASN 30 N -3.32 2.19 -2.62 6.23 5.03 -1.00 -5.02 115.26 116.76 1yji n ASN 30 Ca 0.01 -1.60 -0.03 0.00 0.87 0.00 0.00 54.58 53.83 1yji n ASN 30 Cb 0.74 0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.57 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 0.91 -1.11 1.21 7.41 0.00 -0.56 -5.01 105.19 108.05 1yji n GLY 31 Ca 0.09 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.91 0.20 -3.21 -0.61 5.41 0.33 -4.99 119.36 115.59 1yji n ILE 32 Ca 0.05 0.07 -0.40 0.00 1.00 0.00 0.00 62.75 63.47 1yji n ILE 32 Cb 0.42 -1.31 -0.07 0.00 -0.71 0.00 0.00 39.64 37.97 1yji n ILE 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1yji s TYR 33 N -2.00 3.33 -0.90 1.39 5.04 -1.23 -4.97 117.35 118.01 1yji s TYR 33 Ca 0.00 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1yji s TYR 33 Cb 0.00 -2.72 0.31 0.00 0.35 0.00 0.00 41.96 39.89 1yji s TYR 33 CO 0.00 -0.19 1.36 -0.40 -1.34 0.00 0.00 175.55 174.98 1yji n ASP 34 N 5.14 5.90 -3.76 4.32 5.75 -1.26 -4.77 116.55 127.87 1yji n ASP 34 Ca -0.04 -3.54 -0.13 0.00 -0.01 0.00 0.00 54.79 51.07 1yji n ASP 34 Cb 0.50 -1.02 -0.09 0.00 -1.03 0.00 0.00 41.12 39.48 1yji n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1yji s ILE 35 N -3.45 0.05 -0.43 2.12 1.01 -1.26 -5.12 121.20 114.12 1yji s ILE 35 Ca 0.38 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 1yji s ILE 35 Cb 0.14 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 42.05 1yji s ILE 35 CO -0.02 -0.22 0.77 -0.69 0.00 0.00 0.00 174.94 174.78 1yji s VAL 36 N -1.07 4.68 -0.42 2.92 1.01 -1.26 -4.97 120.40 121.30 1yji s VAL 36 Ca -0.11 0.51 -0.36 0.00 0.00 0.00 0.00 61.98 62.02 1yji s VAL 36 Cb -0.05 -4.28 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 1yji s VAL 36 CO 0.04 -0.64 2.23 0.61 0.00 0.00 0.00 175.10 177.33 1yji n GLY 37 N 4.89 0.32 0.47 4.51 0.00 -1.26 -4.81 105.19 109.30 1yji n GLY 37 Ca 0.02 0.96 -0.15 0.00 0.00 0.00 0.00 46.02 46.85 1yji n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1yji h ASP 38 N 12.30 -1.60 0.00 1.61 1.82 -1.97 0.95 116.42 129.54 1yji h ASP 38 Ca -0.23 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1yji h ASP 38 Cb 1.33 0.61 0.00 0.00 0.68 0.00 0.00 39.33 41.95 1yji h ASP 38 CO 1.06 -0.51 0.00 0.00 -1.61 0.00 0.00 179.24 178.18 1yji n GLY 40 N 0.17 0.00 0.96 0.00 0.00 0.33 0.70 105.19 107.35 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 0.71 0.89 2.42 -0.02 0.00 -1.26 -4.93 105.19 103.00 1yji n GLY 41 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 0.96 7.68 -3.50 1.61 7.64 0.22 -4.32 113.62 123.91 1yji n SER 42 Ca 0.00 -3.79 -0.29 0.00 1.01 0.00 0.00 58.87 55.80 1yji n SER 42 Cb 0.09 -1.00 0.02 0.00 -1.01 0.00 0.00 64.21 62.31 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 -0.85 -2.55 -1.74 -0.43 0.00 -1.26 -4.89 120.51 108.78 1yji n ALA 43 Ca 0.61 0.21 -0.02 0.00 0.00 0.00 0.00 53.44 54.24 1yji n ALA 43 Cb 0.59 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.10 -0.24 -3.57 0.00 2.88 -1.26 -4.93 113.62 105.40 1yji n SER 44 Ca -0.14 -0.93 -0.10 0.00 -1.33 0.00 0.00 58.87 56.37 1yji n SER 44 Cb 0.65 0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.40 2.41 -0.08 0.00 0.00 -1.26 -4.46 120.51 116.72 1yji n ALA 46 Ca -0.12 -1.03 -0.06 0.00 0.00 0.00 0.00 53.44 52.23 1yji n ALA 46 Cb 0.63 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 3.64 0.51 -0.79 0.00 2.02 -1.77 -2.00 112.91 114.52 1yji h THR 47 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.63 1yji h THR 47 Cb 0.83 0.51 -0.12 0.00 -1.74 0.00 0.00 68.15 67.63 1yji h THR 47 CO 0.00 0.00 1.40 0.00 0.37 0.00 0.00 175.52 177.29 1yji s HIS 49 N -0.59 2.52 0.20 0.00 5.04 -0.75 -2.12 115.29 119.58 1yji s HIS 49 Ca 0.60 0.68 -0.07 0.00 -1.54 0.00 0.00 55.06 54.73 1yji s HIS 49 Cb 0.28 -4.36 -0.02 0.00 0.04 0.00 0.00 32.58 28.52 1yji s HIS 49 CO -0.12 -1.77 0.28 0.14 -2.34 0.00 0.00 174.74 170.93 1yji s VAL 50 N 5.16 0.03 -0.24 0.89 -7.23 -1.20 -4.51 120.40 113.30 1yji s VAL 50 Ca 0.57 -1.62 -0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1yji s VAL 50 Cb -0.12 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.69 1yji s VAL 50 CO 0.32 -0.13 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.59 1yji s TYR 51 N -4.05 3.06 -0.09 2.82 2.02 0.36 -2.88 117.35 118.60 1yji s TYR 51 Ca 0.26 -1.71 -0.18 0.00 -0.37 0.00 0.00 57.07 55.07 1yji s TYR 51 Cb 0.03 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1yji s TYR 51 CO 0.07 -0.77 0.50 0.08 -1.57 0.00 0.00 175.55 173.85 1yji s VAL 52 N 1.28 5.13 -0.02 0.71 1.01 -1.26 0.27 120.40 127.52 1yji s VAL 52 Ca -0.01 1.01 -0.38 0.00 0.00 0.00 0.00 61.98 62.60 1yji s VAL 52 Cb -0.17 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 1yji s VAL 52 CO -0.06 0.36 1.40 -3.20 0.00 0.00 0.00 175.10 173.60 1yji n ASN 53 N 3.37 1.59 -0.20 3.32 5.15 -0.13 -4.66 115.26 123.71 1yji n ASN 53 Ca -0.07 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 1yji n ASN 53 Cb 0.52 -1.14 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 3.04 0.00 -0.01 1.20 -0.00 -1.26 -1.42 120.64 122.20 1yji n GLU 54 Ca 0.21 0.00 0.09 0.00 -0.00 0.00 0.00 57.16 57.46 1yji n GLU 54 Cb 0.16 -0.97 -0.14 0.00 -0.00 0.00 0.00 31.44 30.48 1yji n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1yji n ALA 55 N -0.10 2.70 0.52 -1.84 0.00 -1.26 -4.41 120.51 116.13 1yji n ALA 55 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 53.44 53.06 1yji n ALA 55 Cb 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.11 0.00 -0.03 0.00 3.01 -0.50 -4.50 117.46 113.32 1yji n PHE 56 Ca -0.03 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.32 1yji n PHE 56 Cb 0.47 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.96 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 1.30 -0.29 4.37 1.35 -1.76 -0.17 112.91 117.77 1yji h THR 57 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1yji h THR 57 Cb 0.27 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1yji h THR 57 CO 0.00 0.56 0.00 -0.90 -0.25 0.00 0.00 175.52 174.93 1yji n ASP 58 N -3.98 1.63 0.00 5.36 5.75 -1.26 -3.94 116.55 120.11 1yji n ASP 58 Ca -0.03 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1yji n ASP 58 Cb 0.61 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 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 -1.80 0.11 5.02 -1.09 -5.02 118.16 115.74 1yji n LYS 59 Ca 0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.08 1yji n LYS 59 Cb 0.27 -0.97 0.04 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.94 4.01 -0.77 -0.18 0.11 -0.09 -4.86 120.40 116.68 1yji s VAL 60 Ca 0.00 0.65 -0.24 0.00 -2.93 0.00 0.00 61.98 59.47 1yji s VAL 60 Cb 0.00 -3.58 -0.16 0.00 -1.53 0.00 0.00 36.38 31.10 1yji s VAL 60 CO 0.00 -0.85 2.41 -0.81 -3.33 0.00 0.00 175.10 172.52 1yji n PRO 61 N -2.97 0.53 -2.30 1.54 -0.04 -1.26 -4.86 135.00 125.64 1yji n PRO 61 Ca 0.07 -0.35 -0.39 0.00 -0.04 0.00 0.00 63.50 62.79 1yji n PRO 61 Cb 0.55 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.10 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 10.80 2.42 1.17 0.55 0.00 -1.26 -4.93 121.76 130.51 1yji s ALA 62 Ca 1.07 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.75 1yji s ALA 62 Cb -0.41 -4.32 0.29 0.00 0.00 0.00 0.00 23.12 18.68 1yji s ALA 62 CO 0.27 -3.68 1.03 0.00 0.00 0.00 0.00 175.76 173.38 1yji s ALA 63 N 7.39 -0.51 1.19 0.00 0.00 -1.26 -5.01 121.76 123.56 1yji s ALA 63 Ca 0.52 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 1yji s ALA 63 Cb -0.09 -3.25 0.17 0.00 0.00 0.00 0.00 23.12 19.95 1yji s ALA 63 CO 0.14 -3.88 0.50 0.27 0.00 0.00 0.00 175.76 172.80 1yji n ASN 64 N -4.94 -2.31 0.00 0.00 0.23 -1.26 -4.84 115.26 102.14 1yji n ASN 64 Ca 0.03 -0.65 0.06 0.00 -0.53 0.00 0.00 54.58 53.48 1yji n ASN 64 Cb 0.54 -0.51 0.33 0.00 -2.08 0.00 0.00 39.78 38.06 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 -3.56 0.52 -0.31 -3.83 0.28 -1.26 -3.56 120.64 108.91 1yji n GLU 65 Ca 0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1yji n GLU 65 Cb 0.30 -1.33 0.08 0.00 1.43 0.00 0.00 31.44 31.92 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 1.09 0.18 3.44 3.08 -2.01 -2.80 114.38 117.36 1yji h ARG 66 Ca 0.00 -0.07 -0.30 0.00 0.07 0.00 0.00 59.98 59.68 1yji h ARG 66 Cb 0.00 -0.25 0.02 0.00 0.08 0.00 0.00 29.97 29.82 1yji h ARG 66 CO 0.00 0.72 -1.36 0.93 -1.07 0.00 0.00 179.97 179.19 1yji h GLU 67 N 1.13 0.38 -1.18 0.04 3.07 -1.92 -3.27 114.58 112.83 1yji h GLU 67 Ca 0.31 -0.65 0.34 0.00 -0.50 0.00 0.00 59.36 58.86 1yji h GLU 67 Cb -0.13 0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 27.94 1yji h GLU 67 CO -0.07 1.31 0.80 0.82 -1.40 0.00 0.00 179.01 180.46 1yji h ILE 68 N 0.10 0.38 0.00 3.13 5.03 -1.69 1.36 117.51 125.83 1yji h ILE 68 Ca -0.19 -0.07 -0.13 0.00 -0.12 0.00 0.00 64.86 64.35 1yji h ILE 68 Cb 2.06 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 36.00 1yji h ILE 68 CO 0.23 0.04 -0.64 1.23 -0.68 0.00 0.00 178.15 178.33 1yji h GLY 69 N 0.19 0.00 1.59 5.37 0.00 -1.58 -2.14 103.07 106.50 1yji h GLY 69 Ca 0.65 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.70 1yji h GLY 69 CO -0.22 0.00 -1.27 -0.33 0.00 0.00 0.00 176.54 174.71 1yji h MET 70 N 0.00 0.31 0.00 4.80 2.86 0.14 -3.05 114.93 119.99 1yji h MET 70 Ca -0.01 -0.53 -0.03 0.00 -2.06 0.00 0.00 59.70 57.07 1yji h MET 70 Cb 1.26 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 33.11 1yji h MET 70 CO 0.08 1.25 -0.16 -0.07 1.06 0.00 0.00 176.91 179.07 1yji h LEU 71 N 0.08 0.00 0.00 1.22 3.38 -0.06 0.10 115.31 120.04 1yji h LEU 71 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 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 0.21 0.16 0.00 1.21 0.09 0.00 0.00 178.44 180.11 1yji n GLU 72 N -3.58 0.87 -0.82 1.13 2.13 -0.81 -3.19 120.64 116.37 1yji n GLU 72 Ca -0.01 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.86 1yji n GLU 72 Cb 0.30 -1.21 0.17 0.00 0.27 0.00 0.00 31.44 30.97 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 -2.56 2.92 -0.89 0.00 -7.23 -1.19 -4.91 120.40 106.54 1yji s VAL 74 Ca 0.37 -0.81 0.18 0.00 -1.81 0.00 0.00 61.98 59.92 1yji s VAL 74 Cb 0.37 -3.04 -0.20 0.00 0.56 0.00 0.00 36.38 34.08 1yji s VAL 74 CO -0.09 -0.02 0.79 0.41 -0.31 0.00 0.00 175.10 175.88 1yji n THR 75 N -2.10 0.00 -3.42 5.32 -1.04 -1.26 -5.00 114.28 106.79 1yji n THR 75 Ca 0.07 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 1yji n THR 75 Cb 0.59 1.00 0.02 0.00 -1.82 0.00 0.00 70.33 70.12 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 -2.75 4.48 -0.35 2.41 0.00 -1.26 -5.01 121.76 119.27 1yji s ALA 76 Ca 0.07 -1.76 -0.27 0.00 0.00 0.00 0.00 51.96 50.00 1yji s ALA 76 Cb 0.14 -1.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 1yji s ALA 76 CO 0.76 -0.55 2.32 -1.91 0.00 0.00 0.00 175.76 176.38 1yji n GLU 77 N -1.92 1.50 -2.48 0.00 2.13 -1.26 -4.93 120.64 113.68 1yji n GLU 77 Ca 0.07 0.27 -0.36 0.00 0.66 0.00 0.00 57.16 57.80 1yji n GLU 77 Cb 0.62 -3.32 -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 -1.17 -0.41 0.00 0.00 177.13 175.55 1yji s LEU 78 N 10.17 4.02 0.18 4.31 2.96 -1.26 -5.03 118.68 134.03 1yji s LEU 78 Ca 1.00 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 57.04 1yji s LEU 78 Cb -0.28 -4.32 -0.04 0.00 0.50 0.00 0.00 46.19 42.06 1yji s LEU 78 CO 0.31 -0.68 0.04 -0.54 -1.32 0.00 0.00 176.35 174.17 1yji s LYS 79 N -2.77 2.54 0.62 1.98 -0.14 -1.26 -4.98 119.74 115.72 1yji s LYS 79 Ca 0.62 -1.08 0.36 0.00 -1.36 0.00 0.00 55.97 54.51 1yji s LYS 79 Cb -0.22 -2.42 2.05 0.00 -1.68 0.00 0.00 37.83 35.57 1yji s LYS 79 CO 0.27 0.45 2.29 -1.00 -0.76 0.00 0.00 175.35 176.60 1yji h PRO 80 N 2.49 0.00 -0.16 -1.68 0.13 -2.02 -0.93 132.00 129.83 1yji h PRO 80 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1yji h PRO 80 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1yji h PRO 80 CO 0.60 0.01 -0.08 0.27 -0.23 0.00 0.00 178.00 178.56 1yji n ASN 81 N -3.51 2.81 -4.20 1.44 0.23 -1.26 -5.06 115.26 105.71 1yji n ASN 81 Ca -0.03 -3.31 -0.35 0.00 -0.53 0.00 0.00 54.58 50.36 1yji n ASN 81 Cb 0.09 -0.52 0.10 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 -1.03 -3.11 -3.61 0.53 7.64 -0.36 -4.44 113.62 109.24 1yji n SER 82 Ca 0.22 0.07 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 1yji n SER 82 Cb 0.81 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 63.07 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 -2.90 0.81 -0.43 1.43 1.81 -1.14 -4.89 118.95 113.64 1yji s ARG 83 Ca 0.49 0.79 -0.24 0.00 -1.72 0.00 0.00 55.73 55.04 1yji s ARG 83 Cb -0.10 0.39 0.02 0.00 -0.45 0.00 0.00 34.95 34.82 1yji s ARG 83 CO 0.69 -0.13 0.86 -0.51 -0.68 0.00 0.00 175.30 175.53 1yji s LEU 84 N 0.05 4.10 0.40 2.53 1.43 -1.26 -3.24 118.68 122.68 1yji s LEU 84 Ca -0.01 0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1yji s LEU 84 Cb -0.04 -3.11 0.90 0.00 0.03 0.00 0.00 46.19 43.97 1yji s LEU 84 CO 0.01 -0.94 1.95 0.00 0.23 0.00 0.00 176.35 177.60 1yji n GLN 87 N -4.94 0.98 -4.28 0.00 -0.00 -1.16 -4.73 117.38 103.25 1yji n GLN 87 Ca -0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.71 1yji n GLN 87 Cb 0.12 -1.01 -0.07 0.00 -0.00 0.00 0.00 30.24 29.28 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 0.03 3.35 -0.06 -0.39 1.01 -1.10 -4.92 121.20 119.11 1yji s ILE 88 Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 60.65 58.73 1yji s ILE 88 Cb 0.00 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.65 1yji s ILE 88 CO 0.00 -0.35 0.01 -0.63 0.00 0.00 0.00 174.94 173.97 1yji s ILE 89 N -2.35 0.28 0.50 2.92 -1.09 -1.26 -3.99 121.20 116.21 1yji s ILE 89 Ca 0.32 0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.85 1yji s ILE 89 Cb -0.06 -0.44 -0.03 0.00 -1.58 0.00 0.00 42.46 40.36 1yji s ILE 89 CO 0.20 0.23 0.80 -0.32 -1.23 0.00 0.00 174.94 174.62 1yji s MET 90 N 1.82 3.43 -0.04 2.79 1.75 -0.52 -4.75 119.30 123.79 1yji s MET 90 Ca 0.02 0.15 -0.17 0.00 -1.25 0.00 0.00 55.69 54.44 1yji s MET 90 Cb -0.12 -2.36 0.03 0.00 2.84 0.00 0.00 34.83 35.21 1yji s MET 90 CO -0.04 -0.28 0.37 0.95 -0.65 0.00 0.00 175.02 175.36 1yji s THR 91 N -2.78 0.04 0.47 10.11 -4.23 -1.26 -2.90 115.64 115.09 1yji s THR 91 Ca 0.48 -0.35 0.17 0.00 -1.18 0.00 0.00 61.69 60.81 1yji s THR 91 Cb -0.10 -0.65 0.34 0.00 1.34 0.00 0.00 72.50 73.43 1yji s THR 91 CO 0.45 -0.19 1.99 1.55 -0.54 0.00 0.00 174.62 177.88 1yji h PRO 92 N 3.97 0.25 -0.08 3.99 0.13 -1.88 -0.70 132.00 137.69 1yji h PRO 92 Ca -0.29 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.73 1yji h PRO 92 Cb 1.17 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1yji h PRO 92 CO 0.38 0.17 -0.38 1.05 -0.23 0.00 0.00 178.00 178.99 1yji h GLU 93 N 0.26 0.15 -0.94 0.86 9.09 -1.99 -2.53 114.58 119.49 1yji h GLU 93 Ca 0.25 -0.07 -0.30 0.00 0.05 0.00 0.00 59.36 59.30 1yji h GLU 93 Cb 0.65 -0.01 -0.18 0.00 -1.65 0.00 0.00 28.75 27.57 1yji h GLU 93 CO -0.05 0.51 0.38 1.28 0.05 0.00 0.00 179.01 181.18 1yji n LEU 94 N -4.07 5.46 -4.77 3.06 4.77 -0.28 -4.96 117.00 116.22 1yji n LEU 94 Ca -0.01 -2.87 -0.41 0.00 -0.03 0.00 0.00 56.01 52.68 1yji n LEU 94 Cb 0.44 -0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1yji n LEU 94 CO 0.40 0.82 1.15 1.51 -1.33 0.00 0.00 177.39 179.94 1yji s ASP 95 N -0.64 6.44 0.00 -1.43 -4.77 -0.95 -3.44 116.67 111.88 1yji s ASP 95 Ca 0.41 2.93 0.00 0.00 -3.30 0.00 0.00 52.55 52.59 1yji s ASP 95 Cb 0.34 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 1yji s ASP 95 CO 0.09 -0.82 0.00 0.61 0.70 0.00 0.00 175.17 175.74 1yji n GLY 96 N 1.19 1.18 3.74 2.12 0.00 0.55 -4.70 105.19 109.27 1yji n GLY 96 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 2.65 -0.33 -0.61 2.07 -0.58 -4.80 121.20 117.61 1yji s ILE 97 Ca 0.00 0.52 -0.11 0.00 -1.41 0.00 0.00 60.65 59.65 1yji s ILE 97 Cb 0.00 -3.33 -0.00 0.00 0.13 0.00 0.00 42.46 39.26 1yji s ILE 97 CO 0.00 0.07 0.19 -0.69 -1.91 0.00 0.00 174.94 172.60 1yji s VAL 98 N 0.40 4.80 -0.14 4.00 1.01 -1.26 -0.94 120.40 128.27 1yji s VAL 98 Ca 0.63 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 1yji s VAL 98 Cb -0.42 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1yji s VAL 98 CO 0.39 -0.01 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 1yji s VAL 99 N 1.64 4.83 -0.28 2.92 1.01 -0.18 -0.96 120.40 129.39 1yji s VAL 99 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1yji s VAL 99 Cb -0.17 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1yji s VAL 99 CO 0.08 0.55 0.05 -1.81 0.00 0.00 0.00 175.10 173.97 1yji s ASP 100 N -0.40 4.95 -0.22 3.32 1.01 0.77 0.25 116.67 126.36 1yji s ASP 100 Ca 0.09 -0.62 -0.08 0.00 0.71 0.00 0.00 52.55 52.65 1yji s ASP 100 Cb -0.12 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 1yji s ASP 100 CO 0.02 -0.14 0.10 -0.69 0.21 0.00 0.00 175.17 174.66 1yji s VAL 101 N 1.50 4.81 0.75 -1.27 1.01 -0.28 0.13 120.40 127.05 1yji s VAL 101 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1yji s VAL 101 Cb -0.16 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.04 1yji s VAL 101 CO 0.01 0.38 1.12 -2.16 0.00 0.00 0.00 175.10 174.45 1yji s PRO 102 N 1.02 2.43 0.26 2.72 0.04 -1.26 -3.77 135.00 136.44 1yji s PRO 102 Ca 0.05 0.25 0.25 0.00 0.04 0.00 0.00 61.00 61.58 1yji s PRO 102 Cb -0.14 -2.01 0.94 0.00 0.04 0.00 0.00 34.50 33.33 1yji s PRO 102 CO 0.03 -1.28 1.74 -3.47 0.04 0.00 0.00 177.00 174.07 1yji n ASP 103 N -3.12 0.76 -3.87 6.66 2.03 -1.26 -4.21 116.55 113.53 1yji n ASP 103 Ca 0.07 0.65 -0.30 0.00 0.52 0.00 0.00 54.79 55.73 1yji n ASP 103 Cb 0.59 -0.82 -0.14 0.00 -0.72 0.00 0.00 41.12 40.03 1yji n ASP 103 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1yji s ARG 104 N -3.27 1.60 0.36 -0.67 0.52 -1.26 -4.93 118.95 111.30 1yji s ARG 104 Ca 0.06 -2.20 0.23 0.00 -0.52 0.00 0.00 55.73 53.30 1yji s ARG 104 Cb 0.10 -2.91 0.29 0.00 0.52 0.00 0.00 34.95 32.96 1yji s ARG 104 CO 0.46 -1.09 1.48 -0.56 0.02 0.00 0.00 175.30 175.61 1yji h GLN 105 N 6.86 0.00 0.00 3.54 -0.00 -1.86 -3.39 115.11 120.26 1yji h GLN 105 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1yji h GLN 105 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.41 1yji h GLN 105 CO 0.58 0.00 0.00 1.87 -0.00 0.00 0.00 178.83 181.28