#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 3.56 -0.35 4.33 -0.14 -1.26 -1.93 119.74 123.95 1yji s LYS 2 Ca 0.00 0.67 -0.07 0.00 -1.36 0.00 0.00 55.97 55.20 1yji s LYS 2 Cb 0.00 -4.01 0.04 0.00 -1.68 0.00 0.00 37.83 32.18 1yji s LYS 2 CO 0.00 -1.60 0.13 0.08 -0.76 0.00 0.00 175.35 173.21 1yji s VAL 3 N 5.22 3.92 -0.21 3.17 1.01 -1.13 -0.41 120.40 131.97 1yji s VAL 3 Ca 0.54 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1yji s VAL 3 Cb -0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1yji s VAL 3 CO 0.30 -0.23 0.11 -0.69 0.00 0.00 0.00 175.10 174.59 1yji s VAL 4 N 1.42 5.02 -0.30 2.92 1.01 -0.35 -1.10 120.40 129.02 1yji s VAL 4 Ca -0.01 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1yji s VAL 4 Cb -0.20 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1yji s VAL 4 CO 0.03 0.40 0.17 -0.31 0.00 0.00 0.00 175.10 175.40 1yji s TYR 5 N 0.75 3.19 -0.36 5.22 1.51 -0.60 0.09 117.35 127.15 1yji s TYR 5 Ca 0.06 -0.24 -0.15 0.00 -1.01 0.00 0.00 57.07 55.72 1yji s TYR 5 Cb -0.13 -2.38 -0.00 0.00 -0.11 0.00 0.00 41.96 39.34 1yji s TYR 5 CO 0.02 -0.33 0.35 0.08 -1.11 0.00 0.00 175.55 174.56 1yji s VAL 6 N 1.69 5.19 0.00 0.71 1.01 0.54 -2.41 120.40 127.13 1yji s VAL 6 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1yji s VAL 6 Cb -0.17 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1yji s VAL 6 CO 0.08 -0.15 0.00 -1.54 0.00 0.00 0.00 175.10 173.49 1yji n SER 7 N 5.34 -0.20 0.01 3.32 3.41 -0.39 -0.79 113.62 124.32 1yji n SER 7 Ca -0.10 -0.27 -0.19 0.00 -0.26 0.00 0.00 58.87 58.06 1yji n SER 7 Cb 0.49 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.64 0.38 0.00 7.33 2.07 -1.88 -3.28 115.15 119.13 1yji h HIS 8 Ca 0.00 -0.27 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 1yji h HIS 8 Cb 0.00 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 29.96 1yji h HIS 8 CO 0.00 1.31 0.00 -0.40 -3.07 0.00 0.00 177.93 175.77 1yji n ASP 9 N -4.20 0.00 0.00 3.10 5.75 -1.26 -4.82 116.55 115.12 1yji n ASP 9 Ca -0.17 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1yji n ASP 9 Cb 0.76 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 1yji n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yji n GLY 10 N 0.38 0.61 3.70 6.12 0.00 -1.24 -5.03 105.19 109.73 1yji n GLY 10 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 2.72 0.29 2.61 2.01 -1.26 -4.67 115.64 115.01 1yji s THR 11 Ca 0.00 0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.37 1yji s THR 11 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1yji s THR 11 CO 0.00 0.01 0.23 -0.13 -0.69 0.00 0.00 174.62 174.04 1yji s ARG 12 N 2.29 2.82 -0.23 4.92 0.52 -1.26 -1.26 118.95 126.76 1yji s ARG 12 Ca 0.76 -1.17 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1yji s ARG 12 Cb -0.43 -2.51 0.11 0.00 0.52 0.00 0.00 34.95 32.63 1yji s ARG 12 CO 0.33 0.26 0.26 1.03 0.02 0.00 0.00 175.30 177.20 1yji s ARG 13 N -3.91 0.24 -0.22 3.54 0.52 -1.01 -4.91 118.95 113.21 1yji s ARG 13 Ca 0.36 0.16 -0.12 0.00 -0.52 0.00 0.00 55.73 55.62 1yji s ARG 13 Cb -0.07 -1.00 -0.05 0.00 0.52 0.00 0.00 34.95 34.35 1yji s ARG 13 CO 0.25 -0.74 0.21 -1.21 0.02 0.00 0.00 175.30 173.84 1yji s GLU 14 N 2.36 4.14 0.00 3.54 2.02 -1.26 -1.55 118.70 127.95 1yji s GLU 14 Ca 0.08 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1yji s GLU 14 Cb -0.15 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1yji s GLU 14 CO -0.17 0.12 0.00 1.28 0.02 0.00 0.00 175.26 176.50 1yji n LEU 15 N 4.07 0.00 -3.60 1.80 4.77 -0.26 -4.90 117.00 118.88 1yji n LEU 15 Ca -0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.55 1yji n LEU 15 Cb 0.52 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1yji n LEU 15 CO 0.37 -0.01 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.47 1yji s ASP 16 N 0.01 3.65 -0.28 -1.43 -1.08 -1.25 -2.85 116.67 113.44 1yji s ASP 16 Ca 0.00 -1.49 -0.10 0.00 -0.52 0.00 0.00 52.55 50.44 1yji s ASP 16 Cb 0.00 -0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 40.90 1yji s ASP 16 CO 0.00 -0.42 0.16 -0.69 0.52 0.00 0.00 175.17 174.74 1yji s VAL 17 N 1.84 4.96 1.16 1.11 1.01 -0.81 -4.70 120.40 124.98 1yji s VAL 17 Ca 0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1yji s VAL 17 Cb -0.17 -3.38 0.27 0.00 0.00 0.00 0.00 36.38 33.09 1yji s VAL 17 CO -0.30 0.24 1.08 0.00 0.00 0.00 0.00 175.10 176.12 1yji s ALA 18 N 1.70 0.48 0.34 5.51 0.00 -1.26 -1.59 121.76 126.95 1yji s ALA 18 Ca 0.07 -0.70 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 1yji s ALA 18 Cb -0.16 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 1yji s ALA 18 CO 0.08 -3.49 1.21 0.16 0.00 0.00 0.00 175.76 173.73 1yji s ASP 19 N -3.59 6.81 0.00 0.00 -4.77 -1.26 -2.86 116.67 111.00 1yji s ASP 19 Ca 0.69 2.47 0.00 0.00 -3.30 0.00 0.00 52.55 52.41 1yji s ASP 19 Cb -0.14 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 1yji s ASP 19 CO 0.57 -0.49 0.00 0.61 0.70 0.00 0.00 175.17 176.57 1yji n GLY 20 N 0.84 2.80 3.77 2.12 0.00 -1.12 -4.99 105.19 108.62 1yji n GLY 20 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.04 4.30 0.14 1.61 1.01 -1.13 -4.81 120.40 119.47 1yji s VAL 21 Ca 0.00 1.80 -0.11 0.00 0.00 0.00 0.00 61.98 63.67 1yji s VAL 21 Cb 0.00 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 1yji s VAL 21 CO 0.00 0.51 0.49 -0.94 0.00 0.00 0.00 175.10 175.16 1yji s SER 22 N -1.13 6.71 0.33 3.32 1.04 -1.25 -1.17 113.70 121.54 1yji s SER 22 Ca 0.37 0.92 0.11 0.00 0.48 0.00 0.00 55.95 57.84 1yji s SER 22 Cb -0.24 -2.23 0.98 0.00 0.10 0.00 0.00 66.02 64.63 1yji s SER 22 CO 0.28 0.10 1.69 -0.07 0.98 0.00 0.00 173.24 176.21 1yji h LEU 23 N 3.41 0.54 -0.76 2.42 3.38 -1.71 0.74 115.31 123.33 1yji h LEU 23 Ca -0.48 0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.74 1yji h LEU 23 Cb 1.19 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 1yji h LEU 23 CO 0.67 -0.04 0.42 -0.03 0.09 0.00 0.00 178.44 179.55 1yji h MET 24 N 0.42 0.71 0.73 1.13 4.05 -1.83 -1.61 114.93 118.53 1yji h MET 24 Ca 0.68 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 60.03 1yji h MET 24 Cb 1.45 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 32.09 1yji h MET 24 CO -0.56 0.47 -0.35 1.96 0.23 0.00 0.00 176.91 178.67 1yji h GLN 25 N 0.73 -0.94 -0.94 0.39 4.20 0.15 -2.80 115.11 115.91 1yji h GLN 25 Ca 0.36 0.06 0.24 0.00 0.06 0.00 0.00 58.65 59.38 1yji h GLN 25 Cb 0.31 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 1yji h GLN 25 CO -0.23 -0.61 0.64 0.00 -0.67 0.00 0.00 178.83 177.96 1yji h ALA 26 N -0.90 2.47 -0.00 3.87 0.00 -1.12 0.40 119.26 123.97 1yji h ALA 26 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1yji h ALA 26 Cb 0.77 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1yji h ALA 26 CO 0.16 -0.77 0.01 0.00 0.00 0.00 0.00 179.25 178.66 1yji h ALA 27 N 1.58 1.31 0.00 0.00 0.00 -1.02 0.47 119.26 121.60 1yji h ALA 27 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1yji h ALA 27 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1yji h ALA 27 CO -0.13 -0.01 -0.63 0.28 0.00 0.00 0.00 179.25 178.76 1yji h VAL 28 N 0.00 0.00 0.02 0.00 2.07 -0.23 0.97 116.25 119.08 1yji h VAL 28 Ca 0.00 -0.99 -0.20 0.00 0.82 0.00 0.00 66.70 66.33 1yji h VAL 28 Cb 0.02 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1yji h VAL 28 CO -0.00 0.00 -0.94 -1.28 0.02 0.00 0.00 177.57 175.37 1yji h SER 29 N 0.00 0.12 -0.01 0.57 0.87 -0.85 -3.21 113.55 111.04 1yji h SER 29 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1yji h SER 29 Cb 0.99 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1yji h SER 29 CO 0.00 0.99 -0.13 0.59 -0.53 0.00 0.00 176.83 177.75 1yji n ASN 30 N -3.52 1.84 -2.65 6.23 3.02 -1.06 -5.02 115.26 114.11 1yji n ASN 30 Ca -0.02 -1.42 -0.02 0.00 -0.03 0.00 0.00 54.58 53.09 1yji n ASN 30 Cb 0.87 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 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 0.92 -1.07 0.63 7.41 0.00 -0.00 -5.00 105.19 108.07 1yji n GLY 31 Ca 0.07 0.52 -0.04 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.19 0.25 -3.25 -0.61 5.41 0.32 -4.96 119.36 115.33 1yji n ILE 32 Ca 0.03 -0.07 -0.38 0.00 1.00 0.00 0.00 62.75 63.32 1yji n ILE 32 Cb 0.45 -1.31 -0.06 0.00 -0.71 0.00 0.00 39.64 38.02 1yji n ILE 32 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1yji s TYR 33 N -2.08 3.58 -0.99 1.39 1.51 -1.24 -4.98 117.35 114.55 1yji s TYR 33 Ca -0.06 1.04 -0.02 0.00 -1.01 0.00 0.00 57.07 57.02 1yji s TYR 33 Cb 0.02 -2.59 0.31 0.00 -0.11 0.00 0.00 41.96 39.59 1yji s TYR 33 CO 0.09 0.23 1.45 -0.40 -1.11 0.00 0.00 175.55 175.81 1yji n ASP 34 N 3.32 6.24 -3.64 2.29 5.68 -1.26 -4.78 116.55 124.39 1yji n ASP 34 Ca -0.06 -3.50 -0.03 0.00 -0.50 0.00 0.00 54.79 50.69 1yji n ASP 34 Cb 0.51 -1.13 -0.01 0.00 -1.14 0.00 0.00 41.12 39.35 1yji n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1yji s ILE 35 N -3.24 0.00 -2.02 2.12 2.07 -1.26 -5.02 121.20 113.85 1yji s ILE 35 Ca 0.35 -0.31 0.22 0.00 -1.41 0.00 0.00 60.65 59.49 1yji s ILE 35 Cb 0.11 -1.66 0.54 0.00 0.13 0.00 0.00 42.46 41.58 1yji s ILE 35 CO 0.02 0.00 1.46 0.55 -1.91 0.00 0.00 174.94 175.06 1yji n VAL 36 N -0.38 0.83 -1.29 4.00 3.14 -1.26 -5.04 118.33 118.33 1yji n VAL 36 Ca -0.06 -0.92 0.00 0.00 -2.96 0.00 0.00 64.34 60.40 1yji n VAL 36 Cb 0.61 0.66 0.00 0.00 -1.06 0.00 0.00 33.84 34.05 1yji n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1yji n GLY 37 N 1.49 -4.35 0.45 7.55 0.00 -1.26 -3.96 105.19 105.11 1yji n GLY 37 Ca 0.22 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 1.89 -1.63 0.00 1.61 1.82 -1.96 1.02 116.42 119.17 1yji h ASP 38 Ca 0.00 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1yji h ASP 38 Cb 0.00 0.63 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1yji h ASP 38 CO 0.00 -0.47 0.00 0.00 -1.61 0.00 0.00 179.24 177.16 1yji n GLY 40 N 0.18 0.12 1.02 0.00 0.00 0.35 0.12 105.19 106.97 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 0.76 0.87 2.30 -0.02 0.00 -1.26 -4.91 105.19 102.93 1yji n GLY 41 Ca -0.01 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1yji n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yji n SER 42 N 1.02 7.54 -3.54 1.61 3.41 0.31 -4.44 113.62 119.53 1yji n SER 42 Ca 0.00 -3.69 -0.29 0.00 -0.26 0.00 0.00 58.87 54.62 1yji n SER 42 Cb 0.10 -1.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.07 1yji n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yji n ALA 43 N -0.72 -2.55 -1.77 7.33 0.00 -1.26 -4.89 120.51 116.65 1yji n ALA 43 Ca 0.58 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 54.16 1yji n ALA 43 Cb 0.63 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 1yji n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yji n SER 44 N -1.18 -0.40 -3.60 0.00 3.41 -1.26 -4.95 113.62 105.63 1yji n SER 44 Ca -0.15 -1.08 -0.09 0.00 -0.26 0.00 0.00 58.87 57.29 1yji n SER 44 Cb 0.66 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.71 1yji n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yji n ALA 46 N -0.39 2.42 -0.12 0.00 0.00 -1.26 -4.42 120.51 116.73 1yji n ALA 46 Ca -0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 53.44 52.32 1yji n ALA 46 Cb 0.62 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 3.46 0.73 -1.34 0.00 2.02 -1.80 -2.47 112.91 113.52 1yji h THR 47 Ca 0.00 -0.05 -0.64 0.00 0.77 0.00 0.00 66.41 66.49 1yji h THR 47 Cb 0.78 0.56 -0.18 0.00 -1.74 0.00 0.00 68.15 67.57 1yji h THR 47 CO 0.00 0.03 1.14 0.00 0.37 0.00 0.00 175.52 177.06 1yji s HIS 49 N -2.13 2.55 0.20 0.00 5.04 -0.93 -1.70 115.29 118.31 1yji s HIS 49 Ca 0.55 0.74 -0.09 0.00 -1.54 0.00 0.00 55.06 54.72 1yji s HIS 49 Cb 0.31 -4.20 -0.01 0.00 0.04 0.00 0.00 32.58 28.72 1yji s HIS 49 CO -0.20 -1.80 0.31 0.14 -2.34 0.00 0.00 174.74 170.85 1yji s VAL 50 N 4.96 0.03 -0.28 0.89 -7.23 -1.21 -4.55 120.40 113.02 1yji s VAL 50 Ca 0.58 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1yji s VAL 50 Cb -0.14 -2.09 0.05 0.00 0.56 0.00 0.00 36.38 34.75 1yji s VAL 50 CO 0.29 -0.14 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.60 1yji s TYR 51 N -4.02 3.22 -0.01 2.82 2.02 0.22 -3.29 117.35 118.31 1yji s TYR 51 Ca 0.23 -1.87 -0.24 0.00 -0.37 0.00 0.00 57.07 54.83 1yji s TYR 51 Cb 0.03 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 1yji s TYR 51 CO 0.05 -0.80 0.72 0.08 -1.57 0.00 0.00 175.55 174.03 1yji s VAL 52 N 1.25 4.88 -0.04 0.71 1.01 -1.26 0.21 120.40 127.15 1yji s VAL 52 Ca -0.05 1.51 -0.38 0.00 0.00 0.00 0.00 61.98 63.07 1yji s VAL 52 Cb -0.19 -4.06 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 1yji s VAL 52 CO -0.03 0.33 1.47 -3.20 0.00 0.00 0.00 175.10 173.68 1yji n ASN 53 N 3.18 1.87 -0.21 3.32 5.15 0.19 -4.67 115.26 124.09 1yji n ASN 53 Ca -0.02 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1yji n ASN 53 Cb 0.51 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.59 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 3.49 0.00 -0.01 1.20 0.28 -1.26 -1.53 120.64 122.81 1yji n GLU 54 Ca 0.21 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.31 1yji n GLU 54 Cb 0.17 -0.97 -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 -0.07 2.74 0.40 -1.84 0.00 -1.26 -4.41 120.51 116.08 1yji n ALA 55 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 53.44 53.01 1yji n ALA 55 Cb 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.18 0.00 -0.03 0.00 3.01 -0.58 -4.55 117.46 113.13 1yji n PHE 56 Ca -0.04 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.32 1yji n PHE 56 Cb 0.51 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 40.00 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 -0.01 4.37 1.35 -1.76 0.01 112.91 118.17 1yji h THR 57 Ca 0.00 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1yji h THR 57 Cb 0.22 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1yji h THR 57 CO 0.00 0.55 0.00 -0.90 -0.25 0.00 0.00 175.52 174.92 1yji n ASP 58 N -3.99 0.67 -0.05 5.36 5.75 -1.26 -3.84 116.55 119.19 1yji n ASP 58 Ca -0.03 -1.25 -0.06 0.00 -0.01 0.00 0.00 54.79 53.44 1yji n ASP 58 Cb 0.59 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.47 0.91 -2.03 0.11 5.02 -1.09 -4.99 118.16 115.63 1yji n LYS 59 Ca 0.21 0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.24 1yji n LYS 59 Cb 0.22 -1.19 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.19 4.31 -0.83 -0.18 0.11 -0.03 -4.88 120.40 116.71 1yji s VAL 60 Ca -0.10 0.60 -0.22 0.00 -2.93 0.00 0.00 61.98 59.32 1yji s VAL 60 Cb 0.03 -3.72 -0.18 0.00 -1.53 0.00 0.00 36.38 30.97 1yji s VAL 60 CO 0.24 -0.91 2.36 -0.81 -3.33 0.00 0.00 175.10 172.66 1yji n PRO 61 N -2.74 0.45 -1.75 1.54 -0.04 -1.26 -4.86 135.00 126.34 1yji n PRO 61 Ca 0.05 -0.62 -0.40 0.00 -0.04 0.00 0.00 63.50 62.49 1yji n PRO 61 Cb 0.55 -3.07 -0.03 0.00 -0.04 0.00 0.00 33.50 30.91 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 11.44 2.24 0.59 0.55 0.00 -1.26 -4.91 121.76 130.41 1yji s ALA 62 Ca 1.02 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 1yji s ALA 62 Cb -0.31 -4.21 -0.06 0.00 0.00 0.00 0.00 23.12 18.55 1yji s ALA 62 CO 0.20 -3.60 0.87 0.00 0.00 0.00 0.00 175.76 173.23 1yji n ALA 63 N 13.20 -0.10 -0.85 0.00 0.00 -1.26 -4.98 120.51 126.52 1yji n ALA 63 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 1yji n ALA 63 Cb 0.50 -2.05 0.06 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.49 -2.38 0.00 0.00 2.04 -1.26 -4.78 115.26 108.39 1yji n ASN 64 Ca 0.13 -0.22 0.04 0.00 -0.44 0.00 0.00 54.58 54.09 1yji n ASN 64 Cb 0.47 -0.21 0.25 0.00 -2.53 0.00 0.00 39.78 37.76 1yji n ASN 64 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1yji n GLU 65 N -2.77 0.51 -0.22 -3.83 0.28 -1.26 -3.37 120.64 109.97 1yji n GLU 65 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.94 1yji n GLU 65 Cb 0.13 -1.26 0.03 0.00 1.43 0.00 0.00 31.44 31.76 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 1.08 0.20 3.44 3.08 -2.01 -3.06 114.38 117.10 1yji h ARG 66 Ca 0.00 -0.32 -0.31 0.00 0.07 0.00 0.00 59.98 59.42 1yji h ARG 66 Cb 0.00 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 29.96 1yji h ARG 66 CO 0.00 1.02 -1.38 0.93 -1.07 0.00 0.00 179.97 179.47 1yji h GLU 67 N 0.98 0.42 -1.17 0.04 3.07 -1.88 -3.25 114.58 112.79 1yji h GLU 67 Ca 0.18 -0.72 0.34 0.00 -0.50 0.00 0.00 59.36 58.67 1yji h GLU 67 Cb 0.50 0.27 -0.10 0.00 -0.84 0.00 0.00 28.75 28.58 1yji h GLU 67 CO 0.02 1.34 0.76 0.82 -1.40 0.00 0.00 179.01 180.56 1yji h ILE 68 N 0.11 0.35 0.00 3.13 5.03 -1.70 1.57 117.51 126.00 1yji h ILE 68 Ca -0.20 -0.08 -0.14 0.00 -0.12 0.00 0.00 64.86 64.31 1yji h ILE 68 Cb 2.08 0.10 -0.02 0.00 -3.03 0.00 0.00 36.82 35.95 1yji h ILE 68 CO 0.24 0.04 -0.69 1.23 -0.68 0.00 0.00 178.15 178.30 1yji h GLY 69 N 0.24 0.00 1.59 5.37 0.00 -1.57 -2.48 103.07 106.22 1yji h GLY 69 Ca 0.68 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.75 1yji h GLY 69 CO -0.32 0.00 -1.18 -0.33 0.00 0.00 0.00 176.54 174.71 1yji h MET 70 N 0.00 0.32 0.00 4.80 2.86 0.18 -2.99 114.93 120.09 1yji h MET 70 Ca -0.01 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 1yji h MET 70 Cb 1.30 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1yji h MET 70 CO 0.09 1.21 -0.12 -0.07 1.06 0.00 0.00 176.91 179.08 1yji h LEU 71 N 0.11 0.00 -0.10 1.22 3.38 0.46 0.23 115.31 120.60 1yji h LEU 71 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1yji h LEU 71 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1yji h LEU 71 CO 0.20 0.12 0.00 1.21 0.09 0.00 0.00 178.44 180.06 1yji n GLU 72 N -3.63 1.07 -0.48 1.13 2.13 -0.94 -3.28 120.64 116.63 1yji n GLU 72 Ca -0.02 -0.10 0.07 0.00 0.66 0.00 0.00 57.16 57.77 1yji n GLU 72 Cb 0.24 -1.24 0.16 0.00 0.27 0.00 0.00 31.44 30.87 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 -2.67 3.05 -2.01 0.00 -7.23 -1.20 -4.87 120.40 105.46 1yji s VAL 74 Ca 0.33 -0.79 0.16 0.00 -1.81 0.00 0.00 61.98 59.87 1yji s VAL 74 Cb 0.32 -3.09 0.13 0.00 0.56 0.00 0.00 36.38 34.30 1yji s VAL 74 CO -0.04 -0.05 1.02 0.41 -0.31 0.00 0.00 175.10 176.13 1yji n THR 75 N -2.08 0.01 -3.64 5.32 -1.04 -1.26 -5.00 114.28 106.59 1yji n THR 75 Ca 0.07 -0.51 -0.21 0.00 -2.04 0.00 0.00 64.05 61.36 1yji n THR 75 Cb 0.59 1.32 -0.04 0.00 -1.82 0.00 0.00 70.33 70.39 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 -1.34 3.99 -0.33 2.41 0.00 -1.26 -5.03 121.76 120.21 1yji s ALA 76 Ca 0.19 -1.88 -0.27 0.00 0.00 0.00 0.00 51.96 50.00 1yji s ALA 76 Cb 0.13 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 1yji s ALA 76 CO 0.20 -0.19 2.30 -1.91 0.00 0.00 0.00 175.76 176.17 1yji n GLU 77 N -1.50 1.59 -2.06 0.00 2.13 -1.26 -4.93 120.64 114.61 1yji n GLU 77 Ca 0.02 0.32 -0.34 0.00 0.66 0.00 0.00 57.16 57.82 1yji n GLU 77 Cb 0.62 -3.31 0.02 0.00 0.27 0.00 0.00 31.44 29.04 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 9.87 3.60 0.22 4.31 2.96 -1.26 -5.03 118.68 133.33 1yji s LEU 78 Ca 1.00 2.08 0.09 0.00 -0.22 0.00 0.00 54.13 57.09 1yji s LEU 78 Cb -0.28 -4.57 -0.04 0.00 0.50 0.00 0.00 46.19 41.80 1yji s LEU 78 CO 0.32 -1.37 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.36 1yji s LYS 79 N -3.65 2.07 0.66 1.98 -0.14 -1.26 -5.00 119.74 114.42 1yji s LYS 79 Ca 0.70 -1.37 0.39 0.00 -1.36 0.00 0.00 55.97 54.33 1yji s LYS 79 Cb -0.22 -2.11 2.12 0.00 -1.68 0.00 0.00 37.83 35.94 1yji s LYS 79 CO 0.33 0.40 2.21 -1.00 -0.76 0.00 0.00 175.35 176.53 1yji h PRO 80 N 2.55 0.00 -0.13 -1.68 0.13 -2.02 -1.86 132.00 129.00 1yji h PRO 80 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1yji h PRO 80 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1yji h PRO 80 CO 0.56 0.00 -0.69 0.27 -0.23 0.00 0.00 178.00 177.91 1yji n ASN 81 N -3.06 2.01 -4.44 1.44 6.94 -1.26 -5.09 115.26 111.80 1yji n ASN 81 Ca -0.02 -3.39 -0.28 0.00 -0.02 0.00 0.00 54.58 50.86 1yji n ASN 81 Cb 0.19 -0.45 0.26 0.00 -2.36 0.00 0.00 39.78 37.42 1yji n ASN 81 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1yji n SER 82 N -0.69 -1.96 -3.66 0.53 7.64 -0.70 -4.45 113.62 110.33 1yji n SER 82 Ca 0.19 -0.21 -0.00 0.00 1.01 0.00 0.00 58.87 59.85 1yji n SER 82 Cb 0.83 -1.22 -0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1yji n SER 82 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1yji s ARG 83 N -4.32 0.76 -0.37 1.43 3.52 -1.21 -4.96 118.95 113.80 1yji s ARG 83 Ca 0.68 -0.43 -0.13 0.00 -0.13 0.00 0.00 55.73 55.71 1yji s ARG 83 Cb -0.25 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.40 1yji s ARG 83 CO 0.66 -0.35 0.26 -0.51 -0.81 0.00 0.00 175.30 174.55 1yji s LEU 84 N -3.07 4.79 0.12 -0.88 1.43 -1.26 -3.30 118.68 116.52 1yji s LEU 84 Ca 0.15 -0.72 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1yji s LEU 84 Cb 0.02 -2.12 0.38 0.00 0.03 0.00 0.00 46.19 44.49 1yji s LEU 84 CO -0.01 -0.35 1.15 0.00 0.23 0.00 0.00 176.35 177.37 1yji n GLN 87 N -3.54 1.37 -4.24 0.00 0.00 -0.94 -4.80 117.38 105.23 1yji n GLN 87 Ca -0.28 -0.48 -0.16 0.00 -0.00 0.00 0.00 57.00 56.08 1yji n GLN 87 Cb 1.06 -1.35 -0.10 0.00 0.00 0.00 0.00 30.24 29.85 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 -0.05 1.23 -0.06 1.69 1.01 -1.26 -4.79 121.20 118.98 1yji s ILE 88 Ca 0.22 -1.90 0.01 0.00 0.00 0.00 0.00 60.65 58.98 1yji s ILE 88 Cb 0.12 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1yji s ILE 88 CO -0.01 -0.60 -0.07 -0.63 0.00 0.00 0.00 174.94 173.64 1yji s ILE 89 N -2.78 0.73 0.48 2.92 -1.09 -1.26 -3.95 121.20 116.26 1yji s ILE 89 Ca 0.13 -0.22 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 1yji s ILE 89 Cb -0.01 -0.73 -0.02 0.00 -1.58 0.00 0.00 42.46 40.12 1yji s ILE 89 CO 0.02 0.27 0.77 -0.32 -1.23 0.00 0.00 174.94 174.45 1yji s MET 90 N 0.95 3.35 -0.05 2.79 1.75 -0.31 -4.76 119.30 123.01 1yji s MET 90 Ca -0.10 0.01 -0.23 0.00 -1.25 0.00 0.00 55.69 54.12 1yji s MET 90 Cb -0.15 -2.41 0.05 0.00 2.84 0.00 0.00 34.83 35.16 1yji s MET 90 CO 0.00 -0.28 0.51 0.95 -0.65 0.00 0.00 175.02 175.56 1yji s THR 91 N -2.72 0.02 0.33 10.11 -4.23 -1.26 -2.77 115.64 115.12 1yji s THR 91 Ca 0.48 -0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.84 1yji s THR 91 Cb -0.10 -0.81 0.30 0.00 1.34 0.00 0.00 72.50 73.23 1yji s THR 91 CO 0.43 -0.11 1.90 1.55 -0.54 0.00 0.00 174.62 177.85 1yji h PRO 92 N 3.63 0.81 0.00 3.99 0.13 -1.90 0.14 132.00 138.80 1yji h PRO 92 Ca -0.28 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 1yji h PRO 92 Cb 1.16 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1yji h PRO 92 CO 0.37 0.54 -0.19 1.05 -0.23 0.00 0.00 178.00 179.54 1yji h GLU 93 N 0.84 0.00 -0.82 0.86 4.11 -2.00 -1.57 114.58 116.00 1yji h GLU 93 Ca 0.41 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.63 1yji h GLU 93 Cb 0.44 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 1yji h GLU 93 CO -0.17 0.19 0.26 1.28 0.07 0.00 0.00 179.01 180.64 1yji n LEU 94 N -3.93 5.53 -4.76 3.06 4.77 0.02 -4.96 117.00 116.72 1yji n LEU 94 Ca -0.02 -2.88 -0.41 0.00 -0.03 0.00 0.00 56.01 52.68 1yji n LEU 94 Cb 0.28 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1yji n LEU 94 CO 0.34 0.75 1.08 1.51 -1.33 0.00 0.00 177.39 179.74 1yji s ASP 95 N -0.78 6.59 0.00 -1.43 -4.77 -0.59 -3.50 116.67 112.19 1yji s ASP 95 Ca 0.47 2.80 0.00 0.00 -3.30 0.00 0.00 52.55 52.52 1yji s ASP 95 Cb 0.37 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.56 1yji s ASP 95 CO 0.11 -0.71 0.00 0.61 0.70 0.00 0.00 175.17 175.89 1yji n GLY 96 N 1.25 1.14 3.73 2.12 0.00 0.46 -4.70 105.19 109.20 1yji n GLY 96 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1yji n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yji s ILE 97 N -2.00 2.43 -0.31 -0.61 2.07 -0.71 -4.82 121.20 117.24 1yji s ILE 97 Ca 0.00 0.33 -0.09 0.00 -1.41 0.00 0.00 60.65 59.48 1yji s ILE 97 Cb 0.00 -3.21 -0.00 0.00 0.13 0.00 0.00 42.46 39.37 1yji s ILE 97 CO 0.00 0.04 0.14 -0.69 -1.91 0.00 0.00 174.94 172.52 1yji s VAL 98 N 0.62 4.51 -0.16 4.00 1.01 -1.26 -1.22 120.40 127.90 1yji s VAL 98 Ca 0.67 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1yji s VAL 98 Cb -0.45 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1yji s VAL 98 CO 0.38 0.06 0.07 -0.69 0.00 0.00 0.00 175.10 174.92 1yji s VAL 99 N 1.59 4.91 -0.32 2.92 1.01 0.11 -0.64 120.40 129.99 1yji s VAL 99 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1yji s VAL 99 Cb -0.17 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1yji s VAL 99 CO 0.06 0.51 0.15 -1.81 0.00 0.00 0.00 175.10 174.01 1yji s ASP 100 N -0.08 5.54 -0.25 3.32 1.11 0.56 0.20 116.67 127.06 1yji s ASP 100 Ca 0.07 -0.61 -0.09 0.00 0.18 0.00 0.00 52.55 52.10 1yji s ASP 100 Cb -0.12 -1.99 -0.04 0.00 1.07 0.00 0.00 42.92 41.83 1yji s ASP 100 CO 0.01 -0.22 0.13 -0.69 1.18 0.00 0.00 175.17 175.58 1yji s VAL 101 N 1.59 4.94 0.77 -1.27 1.01 0.02 0.71 120.40 128.17 1yji s VAL 101 Ca 0.04 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1yji s VAL 101 Cb -0.17 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 32.97 1yji s VAL 101 CO 0.06 0.32 1.10 -2.16 0.00 0.00 0.00 175.10 174.42 1yji s PRO 102 N 1.41 1.93 0.24 2.72 0.04 -1.26 -3.57 135.00 136.50 1yji s PRO 102 Ca 0.06 -0.19 0.26 0.00 0.04 0.00 0.00 61.00 61.17 1yji s PRO 102 Cb -0.15 -2.07 0.79 0.00 0.04 0.00 0.00 34.50 33.11 1yji s PRO 102 CO 0.06 -1.49 1.76 0.22 0.04 0.00 0.00 177.00 177.59 1yji h ASP 103 N -0.86 0.00 -3.55 6.66 1.82 -1.97 -3.37 116.42 115.15 1yji h ASP 103 Ca -0.45 0.00 -0.71 0.00 -0.39 0.00 0.00 57.03 55.49 1yji h ASP 103 Cb 1.31 0.00 -0.35 0.00 0.68 0.00 0.00 39.33 40.97 1yji h ASP 103 CO 0.59 0.00 -0.15 -0.13 -1.61 0.00 0.00 179.24 177.94 1yji s ARG 104 N -3.13 3.12 0.05 0.28 1.81 -1.26 -4.85 118.95 114.96 1yji s ARG 104 Ca 0.10 -3.09 0.03 0.00 -1.72 0.00 0.00 55.73 51.05 1yji s ARG 104 Cb 0.11 -3.92 -0.25 0.00 -0.45 0.00 0.00 34.95 30.45 1yji s ARG 104 CO 0.59 -1.24 1.01 1.96 -0.68 0.00 0.00 175.30 176.93 1yji h GLN 105 N 6.29 0.13 0.00 3.54 7.50 -1.86 -3.39 115.11 127.32 1yji h GLN 105 Ca 0.12 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 59.04 1yji h GLN 105 Cb 0.85 0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.46 1yji h GLN 105 CO 0.82 1.00 0.00 1.87 -1.50 0.00 0.00 178.83 181.01