#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lji s VAL 2 N 0.00 3.57 0.51 3.15 1.01 -1.26 -0.58 120.40 126.80 1lji s VAL 2 Ca 0.00 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 1lji s VAL 2 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 1lji s VAL 2 CO 0.00 0.02 1.01 -0.36 0.00 0.00 0.00 175.10 175.76 1lji s PHE 3 N 1.41 3.21 0.38 5.22 0.40 0.06 -5.00 117.98 123.66 1lji s PHE 3 Ca -0.00 1.53 -0.12 0.00 -0.60 0.00 0.00 56.93 57.74 1lji s PHE 3 Cb -0.18 -2.92 -0.07 0.00 0.51 0.00 0.00 43.02 40.36 1lji s PHE 3 CO 0.01 -0.59 0.77 0.20 0.70 0.00 0.00 175.22 176.30 1lji s GLY 4 N -2.55 2.07 0.15 4.36 0.00 -1.26 -4.86 107.32 105.23 1lji s GLY 4 Ca 0.63 -0.11 -0.24 0.00 0.00 0.00 0.00 44.72 45.00 1lji s GLY 4 CO 0.26 0.09 1.62 -0.09 0.00 0.00 0.00 173.10 174.97 1lji h ARG 5 N 1.56 -0.28 0.00 2.90 2.43 -1.97 -0.74 114.38 118.28 1lji h ARG 5 Ca -0.47 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 1lji h ARG 5 Cb 1.18 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1lji h ARG 5 CO 0.64 -0.19 -0.47 0.00 -1.51 0.00 0.00 179.97 178.44 1lji h GLU 7 N 0.00 0.96 -0.34 0.00 4.81 -1.81 -0.51 114.58 117.69 1lji h GLU 7 Ca -0.00 -0.29 -0.16 0.00 -0.13 0.00 0.00 59.36 58.77 1lji h GLU 7 Cb 1.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1lji h GLU 7 CO 0.06 0.96 -0.42 1.25 -0.73 0.00 0.00 179.01 180.13 1lji h LEU 8 N 0.85 0.91 -0.56 1.64 6.46 -1.07 -2.06 115.31 121.48 1lji h LEU 8 Ca 0.16 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1lji h LEU 8 Cb 0.51 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1lji h LEU 8 CO 0.02 1.20 0.36 0.00 -0.62 0.00 0.00 178.44 179.41 1lji h ALA 9 N 0.83 0.71 -0.54 1.25 0.00 -1.10 0.22 119.26 120.64 1lji h ALA 9 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1lji h ALA 9 Cb 1.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1lji h ALA 9 CO 0.10 0.17 0.13 0.00 0.00 0.00 0.00 179.25 179.65 1lji h ALA 10 N 1.19 0.71 -0.44 0.00 0.00 -1.00 -0.71 119.26 119.02 1lji h ALA 10 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1lji h ALA 10 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1lji h ALA 10 CO -0.04 0.41 0.15 0.00 0.00 0.00 0.00 179.25 179.77 1lji h ALA 11 N 1.01 0.57 -0.50 0.00 0.00 -1.04 -1.54 119.26 117.76 1lji h ALA 11 Ca 0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1lji h ALA 11 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1lji h ALA 11 CO 0.00 0.20 -0.04 0.52 0.00 0.00 0.00 179.25 179.94 1lji h MET 12 N 0.57 0.87 -0.35 0.00 2.86 -0.81 -2.41 114.93 115.67 1lji h MET 12 Ca 0.14 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1lji h MET 12 Cb 0.24 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1lji h MET 12 CO -0.01 0.89 -0.06 -0.22 1.06 0.00 0.00 176.91 178.58 1lji h LYS 13 N 0.80 0.57 0.00 1.72 3.64 -0.91 -2.02 116.57 120.37 1lji h LYS 13 Ca 0.15 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1lji h LYS 13 Cb 0.53 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1lji h LYS 13 CO 0.03 0.64 -0.29 0.00 -2.27 0.00 0.00 179.45 177.56 1lji h ARG 14 N 0.53 0.00 -0.61 1.90 3.08 -0.82 -2.51 114.38 115.95 1lji h ARG 14 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1lji h ARG 14 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1lji h ARG 14 CO 0.02 0.29 0.00 0.72 -1.07 0.00 0.00 179.97 179.93 1lji n HIS 15 N -3.75 1.05 -2.70 3.04 8.25 -0.82 -4.93 115.22 115.36 1lji n HIS 15 Ca -0.01 -0.41 -0.12 0.00 -0.26 0.00 0.00 57.72 56.91 1lji n HIS 15 Cb 0.39 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 31.32 1lji n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lji n GLY 16 N 0.84 0.02 0.08 -1.41 0.00 -0.94 -4.95 105.19 98.83 1lji n GLY 16 Ca 0.18 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1lji n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lji n LEU 17 N -2.37 0.67 -4.61 0.99 7.94 -0.84 -4.53 117.00 114.26 1lji n LEU 17 Ca -0.06 0.21 -0.43 0.00 -1.11 0.00 0.00 56.01 54.63 1lji n LEU 17 Cb 0.57 -0.07 -0.03 0.00 0.53 0.00 0.00 43.42 44.42 1lji n LEU 17 CO 0.27 -0.11 1.65 -0.62 -1.11 0.00 0.00 177.39 177.47 1lji s ASP 18 N -4.89 5.85 -1.32 1.96 2.15 -1.26 -1.82 116.67 117.35 1lji s ASP 18 Ca -0.00 1.79 0.00 0.00 0.43 0.00 0.00 52.55 54.77 1lji s ASP 18 Cb 0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1lji s ASP 18 CO 0.80 -1.66 0.00 0.59 -0.17 0.00 0.00 175.17 174.73 1lji n ASN 19 N 10.24 -4.48 -4.66 -0.34 4.13 0.76 -4.87 115.26 116.04 1lji n ASN 19 Ca 0.25 0.29 -0.42 0.00 1.68 0.00 0.00 54.58 56.38 1lji n ASN 19 Cb 0.45 -3.11 -0.03 0.00 -1.54 0.00 0.00 39.78 35.55 1lji n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1lji s TYR 20 N -2.47 1.78 -1.46 3.10 5.04 -0.75 -1.77 117.35 120.81 1lji s TYR 20 Ca 0.00 -0.02 -0.10 0.00 -2.44 0.00 0.00 57.07 54.50 1lji s TYR 20 Cb 0.00 -4.04 0.05 0.00 0.35 0.00 0.00 41.96 38.32 1lji s TYR 20 CO 0.00 -4.47 0.93 0.54 -1.34 0.00 0.00 175.55 171.21 1lji n ARG 21 N 7.09 -5.95 -0.99 4.97 1.74 -1.26 -2.34 116.66 119.92 1lji n ARG 21 Ca 0.18 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1lji n ARG 21 Cb 0.42 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.22 1lji n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lji n GLY 22 N -1.71 0.76 3.46 -0.13 0.00 -0.73 -5.02 105.19 101.83 1lji n GLY 22 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1lji n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lji s TYR 23 N -3.04 3.23 0.71 1.61 2.02 -0.99 -4.93 117.35 115.97 1lji s TYR 23 Ca 0.00 -0.53 -0.16 0.00 -0.37 0.00 0.00 57.07 56.01 1lji s TYR 23 Cb 0.00 -2.50 0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1lji s TYR 23 CO 0.00 -0.51 1.22 -1.54 -1.57 0.00 0.00 175.55 173.15 1lji s SER 24 N 1.66 4.27 0.31 2.29 1.04 -1.26 -0.17 113.70 121.84 1lji s SER 24 Ca 0.05 2.41 0.08 0.00 0.48 0.00 0.00 55.95 58.97 1lji s SER 24 Cb -0.18 -2.60 0.81 0.00 0.10 0.00 0.00 66.02 64.15 1lji s SER 24 CO 0.09 -2.22 1.75 0.25 0.98 0.00 0.00 173.24 174.10 1lji h LEU 25 N -0.12 0.73 -1.30 2.42 5.85 -1.89 0.06 115.31 121.06 1lji h LEU 25 Ca -0.48 0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.50 1lji h LEU 25 Cb 1.30 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 1lji h LEU 25 CO 0.50 0.20 0.58 1.23 -0.34 0.00 0.00 178.44 180.60 1lji h GLY 26 N 0.68 1.19 0.98 3.75 0.00 -1.91 -1.37 103.07 106.39 1lji h GLY 26 Ca 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1lji h GLY 26 CO -0.42 0.07 0.26 3.43 0.00 0.00 0.00 176.54 179.88 1lji h ASN 27 N 0.66 0.56 -0.51 0.19 2.35 -1.19 -0.87 115.58 116.77 1lji h ASN 27 Ca 0.45 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 56.03 1lji h ASN 27 Cb 0.77 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1lji h ASN 27 CO -0.21 0.48 -0.07 -0.50 -1.65 0.00 0.00 177.43 175.47 1lji h TRP 28 N 0.61 1.05 -0.54 1.19 4.06 -1.31 -0.39 115.95 120.63 1lji h TRP 28 Ca 0.16 -0.21 -0.08 0.00 2.06 0.00 0.00 58.89 60.82 1lji h TRP 28 Cb 0.03 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 27.91 1lji h TRP 28 CO -0.02 0.99 0.01 0.28 -3.56 0.00 0.00 178.44 176.14 1lji h VAL 29 N 0.81 1.26 -0.62 1.49 2.07 -1.26 -1.35 116.25 118.65 1lji h VAL 29 Ca 0.13 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 1lji h VAL 29 Cb 0.62 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1lji h VAL 29 CO 0.04 0.39 0.21 0.00 0.02 0.00 0.00 177.57 178.23 1lji h ALA 31 N 1.07 0.28 -0.72 0.00 0.00 -0.79 -2.47 119.26 116.63 1lji h ALA 31 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1lji h ALA 31 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1lji h ALA 31 CO -0.01 -0.27 0.38 0.00 0.00 0.00 0.00 179.25 179.35 1lji h ALA 32 N 1.10 0.93 -0.22 0.00 0.00 -0.95 0.46 119.26 120.58 1lji h ALA 32 Ca 0.09 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1lji h ALA 32 Cb -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1lji h ALA 32 CO -0.04 0.46 -0.08 -0.22 0.00 0.00 0.00 179.25 179.36 1lji h LYS 33 N 1.00 -0.05 0.00 0.00 1.63 -0.85 -1.35 116.57 116.95 1lji h LYS 33 Ca 0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1lji h LYS 33 Cb 0.06 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1lji h LYS 33 CO -0.04 -0.03 -0.62 0.74 -3.45 0.00 0.00 179.45 176.05 1lji h PHE 34 N -0.05 0.00 0.13 1.91 0.04 -1.31 0.13 116.94 117.80 1lji h PHE 34 Ca 0.11 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.62 1lji h PHE 34 Cb 0.22 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.39 1lji h PHE 34 CO -0.25 0.00 -1.12 0.93 -0.60 0.00 0.00 178.31 177.27 1lji h GLU 35 N 0.00 0.52 0.00 1.51 4.39 -0.78 -3.42 114.58 116.80 1lji h GLU 35 Ca 0.00 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.96 1lji h GLU 35 Cb 0.96 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1lji h GLU 35 CO 0.00 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1lji n SER 36 N -3.91 0.00 -3.56 1.42 3.41 -0.57 -4.82 113.62 105.60 1lji n SER 36 Ca -0.14 -1.00 -0.21 0.00 -0.26 0.00 0.00 58.87 57.26 1lji n SER 36 Cb 0.93 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.96 1lji n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lji n ASN 37 N 0.00 -3.87 -1.70 4.04 5.15 0.45 -2.37 115.26 116.96 1lji n ASN 37 Ca 0.00 -0.62 -0.18 0.00 -0.60 0.00 0.00 54.58 53.18 1lji n ASN 37 Cb 0.31 -4.89 -0.06 0.00 -0.53 0.00 0.00 39.78 34.61 1lji n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1lji n PHE 38 N -4.53 -0.35 -3.63 1.20 3.72 -1.17 -4.84 117.46 107.85 1lji n PHE 38 Ca -0.15 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.87 1lji n PHE 38 Cb 0.62 -3.23 -0.11 0.00 -0.94 0.00 0.00 39.48 35.82 1lji n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lji s ASN 39 N -2.43 5.73 0.28 4.37 3.84 -1.00 -0.76 114.94 124.98 1lji s ASN 39 Ca 0.00 -0.19 0.24 0.00 0.21 0.00 0.00 52.86 53.12 1lji s ASN 39 Cb 0.00 -2.05 1.02 0.00 -0.55 0.00 0.00 41.25 39.66 1lji s ASN 39 CO 0.00 -0.09 1.73 0.71 -2.79 0.00 0.00 177.10 176.66 1lji h THR 40 N 5.47 0.00 -0.64 -5.21 1.35 -1.16 -3.07 112.91 109.65 1lji h THR 40 Ca -0.35 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1lji h THR 40 Cb 1.18 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1lji h THR 40 CO 0.58 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.85 1lji n GLN 41 N -2.30 2.72 -2.00 4.72 6.02 -1.26 -4.04 117.38 121.23 1lji n GLN 41 Ca 0.02 -2.53 -0.41 0.00 -0.01 0.00 0.00 57.00 54.07 1lji n GLN 41 Cb 0.23 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 1lji n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lji s ALA 42 N -1.04 3.60 0.00 -1.58 0.00 -1.16 -4.82 121.76 116.77 1lji s ALA 42 Ca 0.44 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.73 1lji s ALA 42 Cb 0.23 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1lji s ALA 42 CO 0.30 -0.76 0.03 0.95 0.00 0.00 0.00 175.76 176.28 1lji s THR 43 N -0.34 0.07 -0.13 0.00 -4.23 -1.26 -0.78 115.64 108.97 1lji s THR 43 Ca 0.57 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1lji s THR 43 Cb -0.42 -0.23 0.06 0.00 1.34 0.00 0.00 72.50 73.24 1lji s THR 43 CO 0.47 -0.31 0.12 0.21 -0.54 0.00 0.00 174.62 174.57 1lji s ASN 44 N -0.95 1.60 -0.19 3.99 3.84 -0.18 -4.94 114.94 118.11 1lji s ASN 44 Ca -0.10 -0.20 -0.26 0.00 0.21 0.00 0.00 52.86 52.50 1lji s ASN 44 Cb -0.06 -0.02 -0.01 0.00 -0.55 0.00 0.00 41.25 40.60 1lji s ASN 44 CO -0.00 -0.30 0.87 -0.60 -2.79 0.00 0.00 177.10 174.28 1lji s ARG 45 N 2.20 4.27 0.36 0.43 3.00 -1.26 0.18 118.95 128.13 1lji s ARG 45 Ca 0.04 1.07 -0.02 0.00 -1.00 0.00 0.00 55.73 55.82 1lji s ARG 45 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 34.95 31.17 1lji s ARG 45 CO -0.07 -0.42 0.59 -0.80 0.00 0.00 0.00 175.30 174.60 1lji s ASN 46 N 1.21 6.32 0.25 -2.12 0.01 0.21 -4.98 114.94 115.84 1lji s ASN 46 Ca 0.39 0.59 0.23 0.00 -0.71 0.00 0.00 52.86 53.36 1lji s ASN 46 Cb -0.16 -2.09 0.96 0.00 0.41 0.00 0.00 41.25 40.37 1lji s ASN 46 CO 0.11 -0.32 1.70 0.35 -1.51 0.00 0.00 177.10 177.42 1lji n THR 47 N -1.69 0.83 0.62 1.60 -2.24 -1.26 -2.62 114.28 109.52 1lji n THR 47 Ca -0.03 0.22 0.06 0.00 -2.27 0.00 0.00 64.05 62.03 1lji n THR 47 Cb 0.55 -1.15 0.18 0.00 -2.10 0.00 0.00 70.33 67.81 1lji n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1lji n ASP 48 N -2.21 2.35 0.00 3.42 5.75 -1.26 -4.89 116.55 119.71 1lji n ASP 48 Ca 0.02 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1lji n ASP 48 Cb 0.23 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1lji n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lji n GLY 49 N 0.93 0.80 3.83 6.12 0.00 -1.08 -4.80 105.19 111.00 1lji n GLY 49 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1lji n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lji s SER 50 N -3.00 5.17 0.03 1.61 1.04 -1.26 -4.48 113.70 112.81 1lji s SER 50 Ca 0.00 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 1lji s SER 50 Cb 0.00 -0.91 -0.02 0.00 0.10 0.00 0.00 66.02 65.19 1lji s SER 50 CO 0.00 -0.36 0.00 0.42 0.98 0.00 0.00 173.24 174.29 1lji s THR 51 N -2.33 0.14 -0.16 2.02 -4.23 -1.26 0.67 115.64 110.48 1lji s THR 51 Ca 0.41 -1.15 -0.11 0.00 -1.18 0.00 0.00 61.69 59.66 1lji s THR 51 Cb -0.05 -0.70 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 1lji s THR 51 CO 0.26 -0.63 0.19 -1.81 -0.54 0.00 0.00 174.62 172.09 1lji s ASP 52 N -1.94 6.35 -0.02 3.99 1.01 0.13 -1.70 116.67 124.48 1lji s ASP 52 Ca -0.08 0.40 0.07 0.00 0.71 0.00 0.00 52.55 53.65 1lji s ASP 52 Cb -0.04 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 1lji s ASP 52 CO -0.04 0.21 -0.22 -0.31 0.21 0.00 0.00 175.17 175.03 1lji s TYR 53 N 0.01 2.47 0.05 4.23 1.51 -0.02 -1.01 117.35 124.58 1lji s TYR 53 Ca 0.13 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1lji s TYR 53 Cb -0.12 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1lji s TYR 53 CO 0.02 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.94 1lji n GLY 54 N 2.27 -1.92 0.45 0.71 0.00 0.04 -1.49 105.19 105.25 1lji n GLY 54 Ca -0.16 -1.35 0.27 0.00 0.00 0.00 0.00 46.02 44.78 1lji n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lji h ILE 55 N -0.18 0.58 -0.30 -0.61 2.10 -1.69 0.46 117.51 117.86 1lji h ILE 55 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1lji h ILE 55 Cb 0.18 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.48 1lji h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1lji n LEU 56 N -4.29 3.00 -4.03 2.19 4.77 -1.26 -4.06 117.00 113.32 1lji n LEU 56 Ca 0.17 -2.17 -0.42 0.00 -0.03 0.00 0.00 56.01 53.56 1lji n LEU 56 Cb 0.91 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1lji n LEU 56 CO 0.38 0.70 -0.18 0.00 -1.33 0.00 0.00 177.39 176.97 1lji n GLN 57 N 0.25 -0.57 -2.72 3.23 1.13 0.15 -4.89 117.38 113.96 1lji n GLN 57 Ca 0.12 0.15 -0.42 0.00 -1.94 0.00 0.00 57.00 54.91 1lji n GLN 57 Cb 0.49 -2.95 -0.03 0.00 0.11 0.00 0.00 30.24 27.85 1lji n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lji s ILE 58 N -3.61 4.87 0.09 5.09 1.01 -0.55 -4.44 121.20 123.66 1lji s ILE 58 Ca 0.43 2.03 -0.29 0.00 0.00 0.00 0.00 60.65 62.82 1lji s ILE 58 Cb -0.22 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 1lji s ILE 58 CO 0.95 0.15 0.93 0.21 0.00 0.00 0.00 174.94 177.18 1lji s ASN 59 N 1.01 7.44 0.00 3.58 3.84 -1.26 -0.84 114.94 128.71 1lji s ASN 59 Ca 0.51 1.73 0.17 0.00 0.21 0.00 0.00 52.86 55.48 1lji s ASN 59 Cb -0.21 -2.57 0.75 0.00 -0.55 0.00 0.00 41.25 38.67 1lji s ASN 59 CO 0.27 -0.06 1.55 -1.54 -2.79 0.00 0.00 177.10 174.52 1lji n SER 60 N 2.86 0.00 0.09 -4.21 3.41 -0.69 -2.38 113.62 112.71 1lji n SER 60 Ca 0.02 0.48 0.01 0.00 -0.26 0.00 0.00 58.87 59.11 1lji n SER 60 Cb 0.49 -0.49 0.34 0.00 -0.26 0.00 0.00 64.21 64.29 1lji n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lji h ARG 61 N 0.00 0.28 0.00 4.33 9.65 -1.85 -3.39 114.38 123.40 1lji h ARG 61 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1lji h ARG 61 Cb 0.29 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1lji h ARG 61 CO 0.00 0.46 -0.76 0.91 2.80 0.00 0.00 179.97 183.38 1lji n TRP 62 N -4.22 0.00 -0.03 2.20 7.02 -1.21 -3.99 117.44 117.21 1lji n TRP 62 Ca -0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.43 1lji n TRP 62 Cb 0.31 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.07 1lji n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1lji n TRP 63 N -1.84 0.57 -4.12 -5.99 7.02 -1.00 -0.58 117.44 111.50 1lji n TRP 63 Ca 0.00 0.20 -0.10 0.00 -1.02 0.00 0.00 57.50 56.58 1lji n TRP 63 Cb 0.38 -1.03 -0.09 0.00 -2.42 0.00 0.00 31.31 28.15 1lji n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lji s ASN 65 N -3.04 4.90 -0.02 0.00 2.47 -0.42 -4.65 114.94 114.18 1lji s ASN 65 Ca 0.24 -0.24 0.05 0.00 0.42 0.00 0.00 52.86 53.32 1lji s ASN 65 Cb 0.07 -1.86 0.12 0.00 -1.45 0.00 0.00 41.25 38.12 1lji s ASN 65 CO 0.02 -0.01 1.09 -0.90 -3.72 0.00 0.00 177.10 173.58 1lji n ASP 66 N 4.74 2.32 0.00 -4.21 5.68 -1.26 -0.99 116.55 122.83 1lji n ASP 66 Ca -0.17 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 1lji n ASP 66 Cb 0.51 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1lji n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lji n GLY 67 N -0.33 0.97 0.05 6.12 0.00 -1.26 -4.72 105.19 106.02 1lji n GLY 67 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1lji n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lji n ARG 68 N -2.00 2.01 -4.11 1.61 1.85 -1.26 -5.04 116.66 109.72 1lji n ARG 68 Ca 0.00 -1.77 -0.34 0.00 -1.00 0.00 0.00 57.85 54.74 1lji n ARG 68 Cb 0.00 -1.11 -0.10 0.00 -1.05 0.00 0.00 32.46 30.20 1lji n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lji s THR 69 N -1.51 4.59 0.48 8.89 2.01 -1.26 -4.90 115.64 123.94 1lji s THR 69 Ca 0.11 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 1lji s THR 69 Cb 0.10 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 1lji s THR 69 CO 0.01 0.48 1.10 -2.65 -0.69 0.00 0.00 174.62 172.87 1lji n PRO 70 N 3.41 1.43 -3.11 4.92 -0.02 -1.26 -3.24 135.00 137.13 1lji n PRO 70 Ca -0.17 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 61.69 1lji n PRO 70 Cb 0.52 -2.22 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1lji n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lji n GLY 71 N 1.07 0.02 0.62 -1.23 0.00 -1.26 -4.66 105.19 99.75 1lji n GLY 71 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1lji n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lji n SER 72 N -1.48 -0.15 -4.75 1.61 7.64 -1.20 -4.84 113.62 110.45 1lji n SER 72 Ca -0.03 -0.11 -0.34 0.00 1.01 0.00 0.00 58.87 59.40 1lji n SER 72 Cb 0.55 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 1lji n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1lji s ARG 73 N 0.51 3.06 -0.39 1.43 0.52 -1.26 -5.04 118.95 117.79 1lji s ARG 73 Ca 0.00 -0.42 0.09 0.00 -0.52 0.00 0.00 55.73 54.88 1lji s ARG 73 Cb 0.00 -2.86 0.27 0.00 0.52 0.00 0.00 34.95 32.88 1lji s ARG 73 CO 0.00 0.68 0.60 -1.71 0.02 0.00 0.00 175.30 174.90 1lji n ASN 74 N 1.65 0.10 0.30 0.23 5.15 -1.22 -4.22 115.26 117.25 1lji n ASN 74 Ca -0.16 -2.82 0.17 0.00 -0.60 0.00 0.00 54.58 51.17 1lji n ASN 74 Cb 0.53 -0.44 0.98 0.00 -0.53 0.00 0.00 39.78 40.32 1lji n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lji h LEU 75 N 3.74 0.00 -0.91 1.20 3.38 -0.92 -0.30 115.31 121.49 1lji h LEU 75 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1lji h LEU 75 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1lji h LEU 75 CO 0.46 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.83 1lji n ASN 77 N -0.01 -2.49 -3.69 0.00 5.15 -0.12 -4.97 115.26 109.12 1lji n ASN 77 Ca 0.15 -0.91 -0.12 0.00 -0.60 0.00 0.00 54.58 53.10 1lji n ASN 77 Cb 0.40 -3.74 -0.06 0.00 -0.53 0.00 0.00 39.78 35.84 1lji n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1lji s ILE 78 N -3.66 0.07 0.26 -1.44 -4.36 -1.26 -5.08 121.20 105.73 1lji s ILE 78 Ca 0.16 -0.57 -0.29 0.00 -0.26 0.00 0.00 60.65 59.69 1lji s ILE 78 Cb -0.05 -1.00 -0.09 0.00 1.25 0.00 0.00 42.46 42.57 1lji s ILE 78 CO 0.84 -0.31 0.98 -2.16 0.24 0.00 0.00 174.94 174.52 1lji s PRO 79 N -2.79 4.75 0.54 0.37 0.04 -1.26 -1.31 135.00 135.35 1lji s PRO 79 Ca -0.03 1.54 0.26 0.00 0.04 0.00 0.00 61.00 62.81 1lji s PRO 79 Cb -0.00 -3.17 1.43 0.00 0.04 0.00 0.00 34.50 32.80 1lji s PRO 79 CO -0.05 0.40 1.99 0.00 0.04 0.00 0.00 177.00 179.38 1lji h SER 81 N 0.00 0.00 0.25 0.00 4.64 -1.91 -0.08 113.55 116.45 1lji h SER 81 Ca 0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1lji h SER 81 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1lji h SER 81 CO -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.93 1lji h ALA 82 N 1.97 1.13 -0.00 5.18 0.00 -1.33 -0.67 119.26 125.54 1lji h ALA 82 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lji h ALA 82 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lji h ALA 82 CO -0.00 0.03 -0.06 1.28 0.00 0.00 0.00 179.25 180.50 1lji n LEU 83 N -3.30 0.29 -0.56 0.00 4.77 -0.04 -3.42 117.00 114.74 1lji n LEU 83 Ca -0.02 0.09 0.11 0.00 -0.03 0.00 0.00 56.01 56.16 1lji n LEU 83 Cb 0.15 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1lji n LEU 83 CO 0.24 0.05 0.37 0.18 -1.33 0.00 0.00 177.39 176.91 1lji n LEU 84 N -1.04 2.13 -4.75 2.23 4.32 -0.26 -3.69 117.00 115.93 1lji n LEU 84 Ca 0.16 -0.77 -0.31 0.00 -0.02 0.00 0.00 56.01 55.06 1lji n LEU 84 Cb 0.25 -0.01 0.10 0.00 -1.62 0.00 0.00 43.42 42.15 1lji n LEU 84 CO 0.23 0.39 0.70 -0.55 -1.22 0.00 0.00 177.39 176.93 1lji s SER 85 N -2.41 4.27 0.05 -1.43 0.15 -1.22 -4.33 113.70 108.78 1lji s SER 85 Ca 0.20 1.89 0.26 0.00 0.70 0.00 0.00 55.95 59.01 1lji s SER 85 Cb 0.18 -2.53 1.05 0.00 -1.71 0.00 0.00 66.02 63.02 1lji s SER 85 CO 0.53 -2.20 1.82 -1.54 1.20 0.00 0.00 173.24 173.06 1lji n SER 86 N -3.59 0.19 -4.55 5.45 3.41 -1.26 -4.51 113.62 108.76 1lji n SER 86 Ca 0.10 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.81 1lji n SER 86 Cb 0.53 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 1lji n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lji s ASP 87 N -3.36 6.30 0.00 4.04 2.15 -1.26 -4.96 116.67 119.57 1lji s ASP 87 Ca 0.12 -0.10 0.18 0.00 0.43 0.00 0.00 52.55 53.18 1lji s ASP 87 Cb 0.16 -2.26 0.99 0.00 -0.30 0.00 0.00 42.92 41.51 1lji s ASP 87 CO 0.50 -0.49 1.65 2.30 -0.17 0.00 0.00 175.17 178.96 1lji n ILE 88 N 5.43 0.03 -0.16 4.11 -5.35 -1.26 -4.34 119.36 117.83 1lji n ILE 88 Ca -0.05 -0.05 -0.03 0.00 -0.27 0.00 0.00 62.75 62.35 1lji n ILE 88 Cb 0.49 -0.18 0.04 0.00 -1.74 0.00 0.00 39.64 38.25 1lji n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1lji h THR 89 N 0.32 0.52 -0.25 7.28 2.02 -1.94 -0.65 112.91 120.22 1lji h THR 89 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1lji h THR 89 Cb 0.07 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1lji h THR 89 CO 0.00 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.05 1lji h ALA 90 N 1.48 0.32 -0.52 6.16 0.00 -1.84 -1.43 119.26 123.44 1lji h ALA 90 Ca 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1lji h ALA 90 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1lji h ALA 90 CO -0.49 -0.18 0.30 0.77 0.00 0.00 0.00 179.25 179.65 1lji h SER 91 N 0.31 0.63 -0.26 0.00 0.02 -1.70 -1.07 113.55 111.49 1lji h SER 91 Ca 0.09 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1lji h SER 91 Cb 0.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1lji h SER 91 CO -0.02 0.52 0.08 0.58 -1.14 0.00 0.00 176.83 176.85 1lji h VAL 92 N 0.69 1.20 -0.44 2.27 2.07 -0.98 0.56 116.25 121.63 1lji h VAL 92 Ca 0.19 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1lji h VAL 92 Cb 0.01 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1lji h VAL 92 CO -0.03 0.21 0.01 0.78 0.02 0.00 0.00 177.57 178.56 1lji h ASN 93 N 0.26 0.67 -0.26 0.57 2.35 -1.17 -1.43 115.58 116.57 1lji h ASN 93 Ca 0.08 -0.15 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 1lji h ASN 93 Cb 0.25 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1lji h ASN 93 CO -0.00 0.73 -0.51 0.00 -1.65 0.00 0.00 177.43 176.00 1lji h ALA 95 N 0.65 1.79 -0.79 0.00 0.00 -0.54 -1.32 119.26 119.06 1lji h ALA 95 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1lji h ALA 95 Cb 1.12 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1lji h ALA 95 CO 0.11 0.17 0.35 0.87 0.00 0.00 0.00 179.25 180.75 1lji h LYS 96 N 0.23 1.17 -0.15 0.00 1.57 -1.08 -0.86 116.57 117.44 1lji h LYS 96 Ca 0.06 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 1lji h LYS 96 Cb 0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1lji h LYS 96 CO -0.01 0.92 -0.61 0.87 -0.57 0.00 0.00 179.45 180.06 1lji h LYS 97 N 1.14 0.52 0.16 3.15 1.57 -1.23 -2.99 116.57 118.90 1lji h LYS 97 Ca 0.27 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1lji h LYS 97 Cb 0.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1lji h LYS 97 CO -0.03 0.97 -0.08 0.82 -0.57 0.00 0.00 179.45 180.57 1lji h ILE 98 N 0.39 0.95 0.00 1.86 2.04 -0.94 -2.64 117.51 119.17 1lji h ILE 98 Ca -0.01 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1lji h ILE 98 Cb 1.16 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1lji h ILE 98 CO 0.11 0.12 0.00 0.55 0.00 0.00 0.00 178.15 178.93 1lji n VAL 99 N -5.07 1.18 1.05 1.67 3.14 -0.36 -0.83 118.33 119.12 1lji n VAL 99 Ca -0.09 0.44 0.12 0.00 -2.96 0.00 0.00 64.34 61.85 1lji n VAL 99 Cb 0.19 -1.38 0.11 0.00 -1.06 0.00 0.00 33.84 31.71 1lji n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1lji n SER 100 N -1.94 2.43 0.00 6.55 7.64 -1.06 -3.62 113.62 123.63 1lji n SER 100 Ca 0.01 -1.73 0.12 0.00 1.01 0.00 0.00 58.87 58.28 1lji n SER 100 Cb 0.11 0.18 0.70 0.00 -1.01 0.00 0.00 64.21 64.19 1lji n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1lji n ASP 101 N 0.66 0.00 0.00 6.43 2.03 -0.01 -4.88 116.55 120.79 1lji n ASP 101 Ca 0.13 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1lji n ASP 101 Cb 0.52 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1lji n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lji n GLY 102 N 0.68 1.21 0.06 0.27 0.00 -1.26 -4.96 105.19 101.18 1lji n GLY 102 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1lji n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lji n ASN 103 N 0.00 1.34 0.00 1.61 4.05 -1.26 -5.10 115.26 115.89 1lji n ASN 103 Ca 0.00 -1.93 0.00 0.00 0.45 0.00 0.00 54.58 53.10 1lji n ASN 103 Cb 0.00 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 40.91 1lji n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1lji n GLY 104 N -0.48 2.23 0.12 8.20 0.00 -1.24 -1.42 105.19 112.60 1lji n GLY 104 Ca 0.03 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.85 1lji n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lji n MET 105 N 13.94 1.17 0.00 1.61 2.81 -1.26 -3.40 117.12 131.99 1lji n MET 105 Ca 0.00 -0.25 0.07 0.00 -1.81 0.00 0.00 57.70 55.71 1lji n MET 105 Cb 0.00 -1.42 0.36 0.00 -0.71 0.00 0.00 33.22 31.45 1lji n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1lji n ASN 106 N -0.63 0.00 0.26 7.83 3.02 -0.51 -1.58 115.26 123.66 1lji n ASN 106 Ca 0.19 0.08 0.16 0.00 -0.03 0.00 0.00 54.58 54.98 1lji n ASN 106 Cb 0.15 -0.28 0.63 0.00 -0.61 0.00 0.00 39.78 39.67 1lji n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lji h ALA 107 N 2.67 1.00 -2.46 5.41 0.00 -1.68 -3.39 119.26 120.81 1lji h ALA 107 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1lji h ALA 107 Cb 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.69 1lji h ALA 107 CO 0.00 0.00 -0.38 -1.58 0.00 0.00 0.00 179.25 177.29 1lji s TRP 108 N -3.60 3.26 0.18 0.00 0.51 -0.61 -4.97 118.94 113.71 1lji s TRP 108 Ca 0.02 -0.98 -0.14 0.00 -2.12 0.00 0.00 56.10 52.88 1lji s TRP 108 Cb 0.09 -2.98 0.18 0.00 -0.81 0.00 0.00 33.47 29.94 1lji s TRP 108 CO 0.54 -0.76 1.70 0.28 -0.51 0.00 0.00 176.95 178.20 1lji h VAL 109 N 5.80 0.66 -0.39 4.03 2.07 -1.85 -1.18 116.25 125.39 1lji h VAL 109 Ca -0.27 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1lji h VAL 109 Cb 1.11 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1lji h VAL 109 CO 0.82 0.03 0.24 0.00 0.02 0.00 0.00 177.57 178.68 1lji h ALA 110 N 1.41 1.69 -0.36 1.67 0.00 -1.93 -1.58 119.26 120.15 1lji h ALA 110 Ca 0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1lji h ALA 110 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1lji h ALA 110 CO -0.37 0.27 -0.17 2.35 0.00 0.00 0.00 179.25 181.34 1lji h TRP 111 N 0.53 0.87 -0.34 0.00 7.01 -1.55 -0.16 115.95 122.32 1lji h TRP 111 Ca 0.14 -0.21 -0.07 0.00 2.11 0.00 0.00 58.89 60.86 1lji h TRP 111 Cb -0.03 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1lji h TRP 111 CO 0.00 0.94 -0.07 0.00 -2.79 0.00 0.00 178.44 176.53 1lji h ARG 112 N 0.55 0.55 0.02 2.65 3.08 -0.70 0.91 114.38 121.44 1lji h ARG 112 Ca 0.08 -0.15 -0.26 0.00 0.07 0.00 0.00 59.98 59.72 1lji h ARG 112 Cb 0.71 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1lji h ARG 112 CO 0.05 0.63 -1.42 -0.91 -1.07 0.00 0.00 179.97 177.25 1lji h ASN 113 N 0.52 0.06 0.00 7.04 -0.26 -1.20 -3.39 115.58 118.35 1lji h ASN 113 Ca 0.10 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1lji h ASN 113 Cb 0.44 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1lji h ASN 113 CO 0.02 1.07 -0.76 0.54 -1.06 0.00 0.00 177.43 177.24 1lji n ARG 114 N -3.22 2.18 -0.04 0.81 5.12 -0.08 -4.88 116.66 116.55 1lji n ARG 114 Ca -0.11 -0.01 -0.06 0.00 -1.93 0.00 0.00 57.85 55.74 1lji n ARG 114 Cb 1.01 -0.90 -0.04 0.00 -1.16 0.00 0.00 32.46 31.37 1lji n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lji n LYS 116 N -2.86 1.93 -0.98 0.00 4.81 0.10 -1.97 118.16 119.18 1lji n LYS 116 Ca -0.15 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1lji n LYS 116 Cb 0.65 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1lji n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lji n GLY 117 N 2.04 0.70 3.77 3.14 0.00 -1.26 -4.96 105.19 108.61 1lji n GLY 117 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1lji n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1lji s THR 118 N -2.86 2.37 -1.13 2.61 -1.32 -0.83 -5.03 115.64 109.44 1lji s THR 118 Ca 0.00 -1.63 -0.18 0.00 -1.21 0.00 0.00 61.69 58.67 1lji s THR 118 Cb 0.00 -3.00 0.10 0.00 -1.51 0.00 0.00 72.50 68.09 1lji s THR 118 CO 0.00 0.00 1.47 -0.62 -2.21 0.00 0.00 174.62 173.26 1lji s ASP 119 N -3.95 6.76 0.21 8.08 2.15 -1.26 -4.80 116.67 123.86 1lji s ASP 119 Ca 0.42 -2.23 0.19 0.00 0.43 0.00 0.00 52.55 51.37 1lji s ASP 119 Cb 0.03 -2.50 0.88 0.00 -0.30 0.00 0.00 42.92 41.03 1lji s ASP 119 CO 0.24 -1.14 1.59 1.33 -0.17 0.00 0.00 175.17 177.02 1lji n VAL 120 N 5.93 1.02 0.30 1.11 0.24 -1.26 -2.19 118.33 123.48 1lji n VAL 120 Ca 0.37 0.39 0.18 0.00 -2.04 0.00 0.00 64.34 63.24 1lji n VAL 120 Cb 0.47 -1.32 0.97 0.00 -1.47 0.00 0.00 33.84 32.49 1lji n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1lji h GLN 121 N 0.00 0.00 0.00 7.34 5.75 -1.88 -1.45 115.11 124.87 1lji h GLN 121 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1lji h GLN 121 Cb 0.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1lji h GLN 121 CO 0.00 0.03 -0.05 0.00 -2.65 0.00 0.00 178.83 176.16 1lji h ALA 122 N 1.97 1.71 0.00 3.38 0.00 -1.83 -2.11 119.26 122.38 1lji h ALA 122 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1lji h ALA 122 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1lji h ALA 122 CO 0.00 0.06 0.00 0.91 0.00 0.00 0.00 179.25 180.22 1lji n TRP 123 N -4.17 0.69 -0.53 0.00 7.02 -0.55 -1.93 117.44 117.97 1lji n TRP 123 Ca -0.03 0.28 0.06 0.00 -1.02 0.00 0.00 57.50 56.79 1lji n TRP 123 Cb 0.13 -0.95 0.11 0.00 -2.42 0.00 0.00 31.31 28.18 1lji n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1lji n ILE 124 N -2.14 1.49 -2.00 -0.99 -5.35 -0.80 -4.81 119.36 104.77 1lji n ILE 124 Ca 0.02 -1.54 -0.41 0.00 -0.27 0.00 0.00 62.75 60.54 1lji n ILE 124 Cb 0.20 0.14 -0.02 0.00 -1.74 0.00 0.00 39.64 38.22 1lji n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1lji s ARG 125 N -1.89 4.26 0.00 6.28 3.52 -0.81 -2.13 118.95 128.17 1lji s ARG 125 Ca 0.21 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 1lji s ARG 125 Cb 0.16 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1lji s ARG 125 CO 0.05 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.51 1lji n GLY 126 N 2.25 2.08 0.07 8.12 0.00 -1.26 -4.86 105.19 111.59 1lji n GLY 126 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1lji n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lji n ARG 128 N -3.32 -0.40 0.00 0.00 1.74 -1.26 -5.11 116.66 108.31 1lji n ARG 128 Ca -0.06 -0.06 0.14 0.00 -0.77 0.00 0.00 57.85 57.10 1lji n ARG 128 Cb 0.98 -1.80 0.81 0.00 -1.02 0.00 0.00 32.46 31.43 1lji n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39