#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 3.94 -0.30 4.33 -0.14 -1.26 -2.41 119.74 123.89 1yji s LYS 2 Ca 0.00 1.27 -0.00 0.00 -1.36 0.00 0.00 55.97 55.88 1yji s LYS 2 Cb 0.00 -3.87 0.06 0.00 -1.68 0.00 0.00 37.83 32.35 1yji s LYS 2 CO 0.00 -1.09 -0.00 0.08 -0.76 0.00 0.00 175.35 173.58 1yji s VAL 3 N 4.29 2.76 -0.14 3.17 1.01 -1.03 -0.45 120.40 130.01 1yji s VAL 3 Ca 0.56 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 1yji s VAL 3 Cb -0.17 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1yji s VAL 3 CO 0.22 -0.19 0.07 -0.69 0.00 0.00 0.00 175.10 174.51 1yji s VAL 4 N 1.17 4.88 -0.25 2.92 1.01 -0.87 -0.51 120.40 128.76 1yji s VAL 4 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1yji s VAL 4 Cb -0.20 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1yji s VAL 4 CO -0.03 0.54 0.04 -0.31 0.00 0.00 0.00 175.10 175.33 1yji s TYR 5 N -0.29 3.06 -0.37 5.22 2.02 -0.77 -0.40 117.35 125.82 1yji s TYR 5 Ca 0.09 -0.71 -0.15 0.00 -0.37 0.00 0.00 57.07 55.93 1yji s TYR 5 Cb -0.12 -2.20 -0.00 0.00 -0.40 0.00 0.00 41.96 39.24 1yji s TYR 5 CO 0.01 -0.47 0.34 0.08 -1.57 0.00 0.00 175.55 173.95 1yji s VAL 6 N 1.55 5.19 0.00 0.71 1.01 0.74 -2.73 120.40 126.88 1yji s VAL 6 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1yji s VAL 6 Cb -0.15 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1yji s VAL 6 CO 0.01 -0.17 0.00 -1.54 0.00 0.00 0.00 175.10 173.40 1yji n SER 7 N 5.33 0.00 -0.10 3.32 3.41 -0.81 -0.60 113.62 124.16 1yji n SER 7 Ca -0.10 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.33 1yji n SER 7 Cb 0.49 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.01 0.81 0.22 7.33 1.44 -1.24 -4.09 115.22 119.67 1yji n HIS 8 Ca 0.00 0.35 0.02 0.00 -2.01 0.00 0.00 57.72 56.08 1yji n HIS 8 Cb 0.00 -0.99 0.11 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 -4.45 0.00 0.00 4.39 5.68 -1.26 -4.74 116.55 116.17 1yji n ASP 9 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 1yji n ASP 9 Cb 0.61 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 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 -0.83 0.64 3.76 6.12 0.00 -1.26 -5.05 105.19 108.57 1yji n GLY 10 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1yji n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yji s THR 11 N -2.51 3.80 0.34 2.61 -1.32 -1.26 -4.80 115.64 112.49 1yji s THR 11 Ca 0.00 1.70 0.10 0.00 -1.21 0.00 0.00 61.69 62.28 1yji s THR 11 Cb 0.00 -4.04 -0.06 0.00 -1.51 0.00 0.00 72.50 66.89 1yji s THR 11 CO 0.00 0.32 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.51 1yji s ARG 12 N -1.61 1.84 -0.15 7.08 3.00 -1.26 -1.92 118.95 125.93 1yji s ARG 12 Ca 0.46 -1.89 -0.04 0.00 0.00 0.00 0.00 55.73 54.26 1yji s ARG 12 Cb -0.27 -1.75 0.05 0.00 0.00 0.00 0.00 34.95 32.99 1yji s ARG 12 CO 0.34 0.16 0.08 1.03 0.00 0.00 0.00 175.30 176.91 1yji s ARG 13 N -3.61 0.05 -0.25 3.54 3.00 -1.10 -4.92 118.95 115.65 1yji s ARG 13 Ca 0.33 -0.01 -0.12 0.00 0.00 0.00 0.00 55.73 55.92 1yji s ARG 13 Cb 0.01 -1.61 -0.05 0.00 0.00 0.00 0.00 34.95 33.30 1yji s ARG 13 CO 0.17 -0.61 0.24 -1.21 0.00 0.00 0.00 175.30 173.89 1yji s GLU 14 N 2.14 4.04 0.00 3.54 2.02 -1.26 -1.86 118.70 127.33 1yji s GLU 14 Ca 0.02 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.86 1yji s GLU 14 Cb -0.15 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.48 1yji s GLU 14 CO -0.08 -0.09 0.00 1.28 0.02 0.00 0.00 175.26 176.39 1yji n LEU 15 N 4.73 0.00 -3.59 1.80 4.77 0.33 -4.90 117.00 120.14 1yji n LEU 15 Ca -0.12 0.00 -0.29 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 0.36 -0.03 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.44 1yji s ASP 16 N -0.04 3.66 -0.26 -1.43 -1.08 -1.26 -2.46 116.67 113.80 1yji s ASP 16 Ca 0.00 -1.42 -0.09 0.00 -0.52 0.00 0.00 52.55 50.51 1yji s ASP 16 Cb 0.00 -0.50 -0.04 0.00 -1.46 0.00 0.00 42.92 40.92 1yji s ASP 16 CO 0.00 -0.43 0.14 -0.69 0.52 0.00 0.00 175.17 174.71 1yji s VAL 17 N 1.92 4.94 0.92 1.11 1.01 -1.01 -4.82 120.40 124.47 1yji s VAL 17 Ca 0.10 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1yji s VAL 17 Cb -0.17 -3.33 0.22 0.00 0.00 0.00 0.00 36.38 33.10 1yji s VAL 17 CO -0.32 0.30 1.13 0.00 0.00 0.00 0.00 175.10 176.21 1yji n ALA 18 N 4.84 -1.74 -2.06 5.51 0.00 -1.26 -2.91 120.51 122.89 1yji n ALA 18 Ca -0.15 -1.51 -0.42 0.00 0.00 0.00 0.00 53.44 51.36 1yji n ALA 18 Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 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 -5.04 6.76 0.00 0.00 -4.77 -1.25 -2.68 116.67 109.69 1yji s ASP 19 Ca 0.66 2.44 0.00 0.00 -3.30 0.00 0.00 52.55 52.35 1yji s ASP 19 Cb -0.03 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 1yji s ASP 19 CO 0.47 -0.68 0.00 0.61 0.70 0.00 0.00 175.17 176.27 1yji n GLY 20 N 3.24 3.05 3.72 2.12 0.00 -1.02 -4.98 105.19 111.32 1yji n GLY 20 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.12 4.60 0.20 1.61 1.01 -1.09 -4.75 120.40 119.85 1yji s VAL 21 Ca 0.00 2.03 -0.16 0.00 0.00 0.00 0.00 61.98 63.85 1yji s VAL 21 Cb 0.00 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1yji s VAL 21 CO 0.00 0.25 0.63 -0.94 0.00 0.00 0.00 175.10 175.04 1yji s SER 22 N 0.40 6.89 0.34 3.32 1.04 -1.26 -1.49 113.70 122.95 1yji s SER 22 Ca 0.49 1.21 0.14 0.00 0.48 0.00 0.00 55.95 58.27 1yji s SER 22 Cb -0.23 -2.34 1.05 0.00 0.10 0.00 0.00 66.02 64.61 1yji s SER 22 CO 0.29 0.04 1.68 -0.07 0.98 0.00 0.00 173.24 176.16 1yji h LEU 23 N 3.32 0.55 -1.73 2.42 3.38 -1.75 1.59 115.31 123.08 1yji h LEU 23 Ca -0.48 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1yji h LEU 23 Cb 1.19 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1yji h LEU 23 CO 0.66 -0.08 -0.17 -0.03 0.09 0.00 0.00 178.44 178.91 1yji h MET 24 N 0.38 0.00 0.32 1.13 4.05 -1.89 -0.52 114.93 118.40 1yji h MET 24 Ca 0.71 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 60.12 1yji h MET 24 Cb 1.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.40 1yji h MET 24 CO -0.56 0.17 -0.15 1.96 0.23 0.00 0.00 176.91 178.56 1yji h GLN 25 N 0.00 -0.41 0.00 0.39 4.20 0.19 -3.23 115.11 116.25 1yji h GLN 25 Ca -0.00 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1yji h GLN 25 Cb 0.36 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1yji h GLN 25 CO 0.02 -0.19 -0.11 0.00 -0.67 0.00 0.00 178.83 177.89 1yji h ALA 26 N -0.93 1.57 0.00 3.87 0.00 -1.39 -0.74 119.26 121.65 1yji h ALA 26 Ca -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yji h ALA 26 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1yji h ALA 26 CO 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 1yji h ALA 27 N 1.89 1.18 0.00 0.00 0.00 -1.12 0.87 119.26 122.09 1yji h ALA 27 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1yji h ALA 27 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1yji h ALA 27 CO 0.01 0.01 -0.61 0.28 0.00 0.00 0.00 179.25 178.95 1yji h VAL 28 N 0.00 0.22 0.00 0.00 2.07 -1.15 1.44 116.25 118.83 1yji h VAL 28 Ca -0.00 -1.34 -0.18 0.00 0.82 0.00 0.00 66.70 66.00 1yji h VAL 28 Cb 0.06 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1yji h VAL 28 CO 0.00 0.12 -0.96 -1.28 0.02 0.00 0.00 177.57 175.47 1yji h SER 29 N 0.00 0.00 -0.25 0.57 0.87 -0.84 -3.21 113.55 110.69 1yji h SER 29 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1yji h SER 29 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1yji h SER 29 CO 0.02 0.80 0.00 0.59 -0.53 0.00 0.00 176.83 177.71 1yji n ASN 30 N -3.23 2.97 -2.80 6.23 3.02 -0.90 -5.00 115.26 115.56 1yji n ASN 30 Ca -0.02 -1.87 -0.01 0.00 -0.03 0.00 0.00 54.58 52.64 1yji n ASN 30 Cb 0.88 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.90 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 1.12 -1.04 0.35 7.41 0.00 -0.72 -4.99 105.19 107.32 1yji n GLY 31 Ca 0.14 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.78 0.00 1.07 -0.61 5.41 0.49 -4.73 119.36 119.22 1yji n ILE 32 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.82 1yji n ILE 32 Cb 0.51 -0.64 0.25 0.00 -0.71 0.00 0.00 39.64 39.05 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 -2.45 0.34 -0.91 1.39 4.02 -1.15 -4.85 117.16 113.56 1yji n TYR 33 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1yji n TYR 33 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 1yji n TYR 33 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1yji n ASP 34 N 0.39 -1.17 -0.51 7.72 5.75 -1.26 -3.85 116.55 123.61 1yji n ASP 34 Ca 0.13 -0.70 -0.00 0.00 -0.01 0.00 0.00 54.79 54.22 1yji n ASP 34 Cb 0.30 -0.16 -0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 3.44 0.00 -1.31 2.12 0.13 -1.26 -5.15 119.36 117.33 1yji n ILE 35 Ca 0.00 -0.00 0.16 0.00 -1.10 0.00 0.00 62.75 61.81 1yji n ILE 35 Cb 0.29 0.11 -0.06 0.00 -0.84 0.00 0.00 39.64 39.15 1yji n ILE 35 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 1yji n VAL 36 N 0.00 0.00 -3.91 9.51 0.31 -1.25 -4.92 118.33 118.07 1yji n VAL 36 Ca -0.00 0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 64.53 1yji n VAL 36 Cb 0.54 -0.76 -0.15 0.00 -0.91 0.00 0.00 33.84 32.56 1yji n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yji s GLY 37 N -6.54 0.12 -0.02 2.92 0.00 -1.26 -5.03 107.32 97.51 1yji s GLY 37 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 1yji s GLY 37 CO 0.00 0.25 0.38 -0.55 0.00 0.00 0.00 173.10 173.18 1yji h ASP 38 N 6.62 -0.14 0.00 1.64 5.19 -1.98 -3.15 116.42 124.60 1yji h ASP 38 Ca -0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1yji h ASP 38 Cb 1.17 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1yji h ASP 38 CO 0.50 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 1yji n GLY 40 N 0.14 0.11 0.61 0.00 0.00 -1.19 0.15 105.19 105.01 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 0.64 1.00 2.29 -0.02 0.00 -1.26 -4.98 105.19 102.86 1yji n GLY 41 Ca -0.01 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 0.61 7.58 -3.51 1.61 7.64 0.39 -4.50 113.62 123.44 1yji n SER 42 Ca 0.00 -3.72 -0.33 0.00 1.01 0.00 0.00 58.87 55.83 1yji n SER 42 Cb 0.04 -0.99 0.03 0.00 -1.01 0.00 0.00 64.21 62.28 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 -0.81 -2.46 -1.52 -0.43 0.00 -1.26 -4.88 120.51 109.15 1yji n ALA 43 Ca 0.60 0.27 0.00 0.00 0.00 0.00 0.00 53.44 54.31 1yji n ALA 43 Cb 0.66 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.74 0.00 -3.99 0.00 2.88 -1.26 -4.97 113.62 105.53 1yji n SER 44 Ca -0.12 -0.67 -0.10 0.00 -1.33 0.00 0.00 58.87 56.66 1yji n SER 44 Cb 0.67 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.32 2.99 -0.26 0.00 0.00 -1.26 -4.49 120.51 117.17 1yji n ALA 46 Ca -0.03 -1.63 -0.06 0.00 0.00 0.00 0.00 53.44 51.72 1yji n ALA 46 Cb 0.63 -0.93 0.05 0.00 0.00 0.00 0.00 19.45 19.20 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 3.72 1.24 -1.38 0.00 2.02 -1.75 -2.87 112.91 113.88 1yji h THR 47 Ca 0.00 -0.68 -0.63 0.00 0.77 0.00 0.00 66.41 65.87 1yji h THR 47 Cb 1.39 0.35 -0.24 0.00 -1.74 0.00 0.00 68.15 67.91 1yji h THR 47 CO 0.21 0.28 0.78 0.00 0.37 0.00 0.00 175.52 177.17 1yji s HIS 49 N -3.16 2.42 0.14 0.00 5.04 -1.08 -1.83 115.29 116.82 1yji s HIS 49 Ca 0.54 0.67 -0.05 0.00 -1.54 0.00 0.00 55.06 54.69 1yji s HIS 49 Cb 0.42 -4.33 -0.02 0.00 0.04 0.00 0.00 32.58 28.69 1yji s HIS 49 CO -0.24 -1.94 0.15 0.14 -2.34 0.00 0.00 174.74 170.51 1yji s VAL 50 N 5.39 0.10 -0.34 0.89 -7.23 -1.09 -4.51 120.40 113.61 1yji s VAL 50 Ca 0.60 -1.65 -0.07 0.00 -1.81 0.00 0.00 61.98 59.06 1yji s VAL 50 Cb -0.13 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 34.96 1yji s VAL 50 CO 0.33 -0.44 0.11 -0.31 -0.31 0.00 0.00 175.10 174.48 1yji s TYR 51 N -4.00 3.24 -0.03 2.82 2.02 0.70 -2.56 117.35 119.55 1yji s TYR 51 Ca 0.19 -1.31 -0.22 0.00 -0.37 0.00 0.00 57.07 55.36 1yji s TYR 51 Cb 0.06 -2.29 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 1yji s TYR 51 CO -0.00 -0.70 0.64 0.08 -1.57 0.00 0.00 175.55 174.00 1yji s VAL 52 N 1.43 4.95 -0.06 0.71 1.01 -1.26 0.27 120.40 127.45 1yji s VAL 52 Ca -0.01 1.34 -0.38 0.00 0.00 0.00 0.00 61.98 62.93 1yji s VAL 52 Cb -0.19 -3.98 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 1yji s VAL 52 CO 0.03 0.35 1.48 -3.20 0.00 0.00 0.00 175.10 173.76 1yji n ASN 53 N 3.15 1.83 -0.26 3.32 5.15 -0.21 -4.68 115.26 123.56 1yji n ASN 53 Ca -0.04 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.04 1yji n ASN 53 Cb 0.51 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 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 3.55 0.00 -0.01 1.20 0.28 -1.26 -1.41 120.64 122.99 1yji n GLU 54 Ca 0.22 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.31 1yji n GLU 54 Cb 0.16 -0.98 -0.14 0.00 1.43 0.00 0.00 31.44 31.92 1yji n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yji n ALA 55 N 0.02 2.88 0.25 -1.84 0.00 -1.26 -4.45 120.51 116.11 1yji n ALA 55 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.04 1yji n ALA 55 Cb 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.04 0.00 -0.08 0.00 3.01 -0.50 -4.57 117.46 113.29 1yji n PHE 56 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.36 1yji n PHE 56 Cb 0.45 -0.05 0.09 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 0.00 1.27 -0.31 4.37 1.35 -1.77 0.28 112.91 118.10 1yji h THR 57 Ca 0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1yji h THR 57 Cb 0.22 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1yji h THR 57 CO 0.00 0.46 0.00 -0.90 -0.25 0.00 0.00 175.52 174.83 1yji n ASP 58 N -4.10 2.23 0.00 5.36 5.75 -1.26 -3.94 116.55 120.59 1yji n ASP 58 Ca -0.00 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1yji n ASP 58 Cb 0.45 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.42 0.22 -1.99 0.11 5.02 -0.89 -5.04 118.16 116.01 1yji n LYS 59 Ca 0.12 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 1yji n LYS 59 Cb 0.41 -0.89 0.02 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.78 4.27 -0.76 -0.18 0.11 0.92 -4.88 120.40 118.10 1yji s VAL 60 Ca 0.00 0.63 -0.24 0.00 -2.93 0.00 0.00 61.98 59.44 1yji s VAL 60 Cb 0.00 -3.72 -0.16 0.00 -1.53 0.00 0.00 36.38 30.98 1yji s VAL 60 CO 0.00 -0.91 2.40 -0.81 -3.33 0.00 0.00 175.10 172.45 1yji n PRO 61 N -2.77 0.56 -2.33 1.54 -0.04 -1.26 -4.86 135.00 125.84 1yji n PRO 61 Ca 0.06 -0.51 -0.41 0.00 -0.04 0.00 0.00 63.50 62.60 1yji n PRO 61 Cb 0.55 -3.17 -0.03 0.00 -0.04 0.00 0.00 33.50 30.82 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 12.00 2.63 0.65 0.55 0.00 -1.26 -4.83 121.76 131.50 1yji s ALA 62 Ca 1.02 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 1yji s ALA 62 Cb -0.30 -4.19 -0.06 0.00 0.00 0.00 0.00 23.12 18.57 1yji s ALA 62 CO 0.21 -3.26 0.53 0.00 0.00 0.00 0.00 175.76 173.23 1yji n ALA 63 N 10.35 -1.31 -1.00 0.00 0.00 -1.26 -4.97 120.51 122.31 1yji n ALA 63 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1yji n ALA 63 Cb 0.50 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 0.13 -1.04 0.00 0.00 0.23 -1.26 -4.78 115.26 108.53 1yji n ASN 64 Ca 0.11 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.22 1yji n ASN 64 Cb 0.49 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.53 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 -1.04 0.21 -0.26 -3.83 0.28 -1.26 -3.21 120.64 111.54 1yji n GLU 65 Ca 0.00 0.15 -0.01 0.00 -0.16 0.00 0.00 57.16 57.13 1yji n GLU 65 Cb 0.00 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.55 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 0.23 3.44 3.08 -2.01 -2.80 114.38 117.40 1yji h ARG 66 Ca 0.00 -0.10 -0.33 0.00 0.07 0.00 0.00 59.98 59.62 1yji h ARG 66 Cb 0.11 -0.23 0.03 0.00 0.08 0.00 0.00 29.97 29.97 1yji h ARG 66 CO 0.00 0.77 -1.48 1.49 -1.07 0.00 0.00 179.97 179.68 1yji h GLU 67 N 1.11 0.48 -1.19 0.04 4.81 -1.85 -3.28 114.58 114.69 1yji h GLU 67 Ca 0.29 -0.82 0.35 0.00 -0.13 0.00 0.00 59.36 59.04 1yji h GLU 67 Cb -0.03 0.30 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1yji h GLU 67 CO -0.05 1.39 0.93 0.82 -0.73 0.00 0.00 179.01 181.37 1yji h ILE 68 N 0.13 0.30 0.01 2.32 2.04 -1.63 1.26 117.51 121.94 1yji h ILE 68 Ca -0.25 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.37 1yji h ILE 68 Cb 2.13 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1yji h ILE 68 CO 0.25 0.00 -1.22 1.23 0.00 0.00 0.00 178.15 178.42 1yji h GLY 69 N 0.00 0.02 1.67 5.37 0.00 -1.60 -3.21 103.07 105.33 1yji h GLY 69 Ca 0.57 -0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.62 1yji h GLY 69 CO -0.01 0.05 -0.95 -0.33 0.00 0.00 0.00 176.54 175.30 1yji h MET 70 N 0.01 0.29 -0.04 4.80 2.86 0.12 -2.72 114.93 120.24 1yji h MET 70 Ca -0.10 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1yji h MET 70 Cb 1.85 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 33.61 1yji h MET 70 CO 0.12 1.05 0.06 -0.07 1.06 0.00 0.00 176.91 179.13 1yji h LEU 71 N 0.15 0.00 -3.24 1.22 3.38 0.01 0.40 115.31 117.23 1yji h LEU 71 Ca -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.58 1yji h LEU 71 Cb 1.60 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 42.16 1yji h LEU 71 CO 0.15 0.00 0.41 1.21 0.09 0.00 0.00 178.44 180.30 1yji n GLU 72 N -3.68 1.78 -0.37 1.13 2.13 -1.03 -3.88 120.64 116.73 1yji n GLU 72 Ca -0.02 -1.85 0.02 0.00 0.66 0.00 0.00 57.16 55.97 1yji n GLU 72 Cb 0.14 -1.73 0.03 0.00 0.27 0.00 0.00 31.44 30.16 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 -0.71 3.48 -2.73 0.00 -7.23 -1.25 -4.76 120.40 107.21 1yji s VAL 74 Ca 0.08 -0.86 0.22 0.00 -1.81 0.00 0.00 61.98 59.61 1yji s VAL 74 Cb 0.07 -3.22 0.17 0.00 0.56 0.00 0.00 36.38 33.95 1yji s VAL 74 CO 0.01 -0.11 1.19 0.41 -0.31 0.00 0.00 175.10 176.29 1yji n THR 75 N -1.90 0.00 -3.63 5.32 -1.04 -1.26 -4.97 114.28 106.80 1yji n THR 75 Ca 0.04 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.05 61.35 1yji n THR 75 Cb 0.59 1.45 -0.03 0.00 -1.82 0.00 0.00 70.33 70.51 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 -1.86 4.00 -0.23 2.41 0.00 -1.26 -5.03 121.76 119.80 1yji s ALA 76 Ca 0.25 -1.87 -0.28 0.00 0.00 0.00 0.00 51.96 50.06 1yji s ALA 76 Cb 0.18 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 1yji s ALA 76 CO 0.28 -0.19 2.16 -2.00 0.00 0.00 0.00 175.76 176.01 1yji s GLU 77 N -4.10 3.18 0.74 0.00 2.12 -1.26 -4.94 118.70 114.44 1yji s GLU 77 Ca 0.47 1.96 -0.12 0.00 0.36 0.00 0.00 54.97 57.64 1yji s GLU 77 Cb -0.03 -4.34 0.04 0.00 0.26 0.00 0.00 34.13 30.06 1yji s GLU 77 CO 0.27 -2.05 1.11 -1.17 -0.54 0.00 0.00 175.26 172.88 1yji s LEU 78 N 8.03 3.15 0.12 2.70 2.96 -1.26 -5.04 118.68 129.34 1yji s LEU 78 Ca 0.97 1.94 0.07 0.00 -0.22 0.00 0.00 54.13 56.89 1yji s LEU 78 Cb -0.32 -4.54 -0.04 0.00 0.50 0.00 0.00 46.19 41.80 1yji s LEU 78 CO 0.35 -2.00 -0.16 -0.54 -1.32 0.00 0.00 176.35 172.68 1yji s LYS 79 N -4.56 1.05 0.55 1.98 -0.14 -1.26 -4.98 119.74 112.38 1yji s LYS 79 Ca 0.64 -1.21 0.26 0.00 -1.36 0.00 0.00 55.97 54.30 1yji s LYS 79 Cb -0.19 -1.03 1.47 0.00 -1.68 0.00 0.00 37.83 36.39 1yji s LYS 79 CO 0.51 0.21 2.02 -1.00 -0.76 0.00 0.00 175.35 176.33 1yji h PRO 80 N 3.67 0.00 -0.38 -1.68 0.13 -2.02 0.85 132.00 132.57 1yji h PRO 80 Ca -0.41 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.52 1yji h PRO 80 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1yji h PRO 80 CO 0.47 0.00 -0.05 0.27 -0.23 0.00 0.00 178.00 178.46 1yji n ASN 81 N -4.15 2.53 -4.60 1.44 6.94 -1.26 -5.04 115.26 111.12 1yji n ASN 81 Ca 0.06 -3.77 -0.30 0.00 -0.02 0.00 0.00 54.58 50.55 1yji n ASN 81 Cb 0.50 -0.65 0.20 0.00 -2.36 0.00 0.00 39.78 37.48 1yji n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1yji s SER 82 N -2.48 2.13 -0.17 0.53 0.01 0.29 -4.02 113.70 109.98 1yji s SER 82 Ca 0.45 1.81 -0.28 0.00 1.31 0.00 0.00 55.95 59.24 1yji s SER 82 Cb 0.41 -2.41 0.10 0.00 0.21 0.00 0.00 66.02 64.33 1yji s SER 82 CO 0.00 -3.54 0.88 -0.13 0.41 0.00 0.00 173.24 170.86 1yji s ARG 83 N -4.60 0.74 -0.75 12.44 1.81 -1.06 -4.87 118.95 122.67 1yji s ARG 83 Ca 0.67 0.41 -0.19 0.00 -1.72 0.00 0.00 55.73 54.90 1yji s ARG 83 Cb -0.23 0.35 0.12 0.00 -0.45 0.00 0.00 34.95 34.74 1yji s ARG 83 CO 0.61 -0.18 0.89 -0.51 -0.68 0.00 0.00 175.30 175.43 1yji s LEU 84 N -0.61 5.32 0.18 2.53 2.01 -1.26 -2.67 118.68 124.18 1yji s LEU 84 Ca -0.03 -1.74 0.02 0.00 0.01 0.00 0.00 54.13 52.39 1yji s LEU 84 Cb -0.02 -2.34 0.47 0.00 0.01 0.00 0.00 46.19 44.31 1yji s LEU 84 CO 0.02 -1.07 0.92 0.00 1.01 0.00 0.00 176.35 177.23 1yji n GLN 87 N -4.85 0.74 -4.30 0.00 -0.06 0.34 -4.76 117.38 104.49 1yji n GLN 87 Ca 0.03 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.84 1yji n GLN 87 Cb 0.09 -1.13 -0.13 0.00 -4.06 0.00 0.00 30.24 25.01 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 0.51 0.97 -0.11 1.69 1.01 -1.00 -4.71 121.20 119.57 1yji s ILE 88 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1yji s ILE 88 Cb 0.00 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.58 1yji s ILE 88 CO 0.00 -0.03 -0.21 -0.63 0.00 0.00 0.00 174.94 174.07 1yji s ILE 89 N -0.85 1.89 0.50 2.92 1.09 -1.26 -3.98 121.20 121.51 1yji s ILE 89 Ca 0.00 -0.90 -0.04 0.00 -1.10 0.00 0.00 60.65 58.61 1yji s ILE 89 Cb -0.08 -1.66 -0.02 0.00 -1.06 0.00 0.00 42.46 39.65 1yji s ILE 89 CO 0.01 0.52 0.79 -0.04 -0.10 0.00 0.00 174.94 176.12 1yji s MET 90 N 0.61 3.28 -0.04 2.79 -1.94 -0.55 -4.66 119.30 118.79 1yji s MET 90 Ca -0.13 0.00 -0.18 0.00 -1.71 0.00 0.00 55.69 53.67 1yji s MET 90 Cb -0.17 -2.39 0.04 0.00 2.01 0.00 0.00 34.83 34.32 1yji s MET 90 CO 0.04 -0.34 0.41 0.95 -0.01 0.00 0.00 175.02 176.07 1yji s THR 91 N -2.76 0.04 0.44 2.05 -4.23 -1.26 -2.44 115.64 107.48 1yji s THR 91 Ca 0.49 -0.30 0.11 0.00 -1.18 0.00 0.00 61.69 60.81 1yji s THR 91 Cb -0.10 -0.69 0.28 0.00 1.34 0.00 0.00 72.50 73.33 1yji s THR 91 CO 0.43 -0.17 2.06 1.55 -0.54 0.00 0.00 174.62 177.96 1yji h PRO 92 N 3.94 0.38 -0.17 3.99 0.13 -1.87 -1.41 132.00 136.99 1yji h PRO 92 Ca -0.29 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1yji h PRO 92 Cb 1.17 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1yji h PRO 92 CO 0.37 0.25 -0.25 1.05 -0.23 0.00 0.00 178.00 179.19 1yji h GLU 93 N 0.39 0.30 -1.06 0.86 4.11 -1.98 -2.41 114.58 114.79 1yji h GLU 93 Ca 0.15 -0.10 -0.29 0.00 0.07 0.00 0.00 59.36 59.18 1yji h GLU 93 Cb 0.11 -0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.17 1yji h GLU 93 CO -0.03 0.54 0.37 1.28 0.07 0.00 0.00 179.01 181.24 1yji n LEU 94 N -4.15 5.26 -4.74 3.06 4.77 -0.53 -4.95 117.00 115.71 1yji n LEU 94 Ca -0.01 -2.75 -0.42 0.00 -0.03 0.00 0.00 56.01 52.80 1yji n LEU 94 Cb 0.37 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1yji n LEU 94 CO 0.40 0.86 1.30 1.51 -1.33 0.00 0.00 177.39 180.13 1yji s ASP 95 N -0.22 6.36 0.00 -1.43 -4.77 -0.91 -3.34 116.67 112.36 1yji s ASP 95 Ca 0.32 2.93 0.00 0.00 -3.30 0.00 0.00 52.55 52.50 1yji s ASP 95 Cb 0.26 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 1yji s ASP 95 CO 0.05 -0.94 0.00 0.61 0.70 0.00 0.00 175.17 175.59 1yji n GLY 96 N 2.81 1.30 3.68 2.12 0.00 0.41 -4.69 105.19 110.82 1yji n GLY 96 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 3.03 -0.26 -0.61 1.10 -0.89 -4.84 121.20 116.72 1yji s ILE 97 Ca 0.00 0.42 -0.10 0.00 -0.51 0.00 0.00 60.65 60.46 1yji s ILE 97 Cb 0.00 -3.27 -0.04 0.00 0.15 0.00 0.00 42.46 39.30 1yji s ILE 97 CO 0.00 -0.01 0.15 -0.69 -2.11 0.00 0.00 174.94 172.28 1yji s VAL 98 N 2.94 5.05 -0.13 4.00 1.01 -1.26 -2.04 120.40 129.97 1yji s VAL 98 Ca 0.76 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.79 1yji s VAL 98 Cb -0.40 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1yji s VAL 98 CO 0.33 0.31 -0.03 -0.69 0.00 0.00 0.00 175.10 175.02 1yji s VAL 99 N 1.46 4.01 -0.26 2.92 1.01 0.46 -1.04 120.40 128.95 1yji s VAL 99 Ca 0.07 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1yji s VAL 99 Cb -0.15 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1yji s VAL 99 CO 0.07 0.53 0.07 -1.81 0.00 0.00 0.00 175.10 173.96 1yji s ASP 100 N -0.07 5.10 -0.20 3.32 1.11 0.75 0.26 116.67 126.93 1yji s ASP 100 Ca 0.02 -0.37 -0.06 0.00 0.18 0.00 0.00 52.55 52.32 1yji s ASP 100 Cb -0.13 -1.91 -0.03 0.00 1.07 0.00 0.00 42.92 41.93 1yji s ASP 100 CO 0.02 -0.09 0.02 -0.69 1.18 0.00 0.00 175.17 175.61 1yji s VAL 101 N 1.58 4.08 0.92 -1.27 1.01 0.23 0.25 120.40 127.19 1yji s VAL 101 Ca 0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1yji s VAL 101 Cb -0.16 -2.85 0.19 0.00 0.00 0.00 0.00 36.38 33.56 1yji s VAL 101 CO 0.03 0.42 1.26 -2.16 0.00 0.00 0.00 175.10 174.65 1yji s PRO 102 N 1.02 0.79 0.15 2.72 0.04 -1.26 -3.72 135.00 134.74 1yji s PRO 102 Ca 0.02 -0.59 0.26 0.00 0.04 0.00 0.00 61.00 60.73 1yji s PRO 102 Cb -0.14 -1.94 0.70 0.00 0.04 0.00 0.00 34.50 33.16 1yji s PRO 102 CO 0.02 -2.26 1.64 -0.25 0.04 0.00 0.00 177.00 176.19 1yji n ASP 103 N -3.59 0.68 -3.95 6.66 9.92 -1.26 -4.40 116.55 120.60 1yji n ASP 103 Ca 0.16 0.39 -0.30 0.00 -0.53 0.00 0.00 54.79 54.50 1yji n ASP 103 Cb 0.60 -0.42 -0.13 0.00 -0.64 0.00 0.00 41.12 40.52 1yji n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yji s ARG 104 N -3.10 2.17 -0.02 -1.24 1.70 -1.26 -4.89 118.95 112.30 1yji s ARG 104 Ca 0.10 -2.82 0.06 0.00 -0.47 0.00 0.00 55.73 52.59 1yji s ARG 104 Cb 0.14 -3.39 -0.24 0.00 -0.57 0.00 0.00 34.95 30.89 1yji s ARG 104 CO 0.63 -1.16 0.75 -0.56 -1.08 0.00 0.00 175.30 173.88 1yji h GLN 105 N 6.23 0.09 0.00 3.89 3.07 -1.85 -3.40 115.11 123.14 1yji h GLN 105 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1yji h GLN 105 Cb 0.86 0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.47 1yji h GLN 105 CO 0.70 0.79 0.00 1.87 0.09 0.00 0.00 178.83 182.28