#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 3.01 0.42 3.15 1.01 -1.26 -1.00 120.40 125.73 1lji s VAL 2 Ca 0.00 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.45 1lji s VAL 2 Cb 0.00 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 1lji s VAL 2 CO 0.00 -0.05 1.04 -0.36 0.00 0.00 0.00 175.10 175.73 1lji s PHE 3 N 1.27 3.21 0.66 5.22 0.40 -0.69 -5.02 117.98 123.04 1lji s PHE 3 Ca -0.04 1.63 -0.11 0.00 -0.60 0.00 0.00 56.93 57.80 1lji s PHE 3 Cb -0.19 -3.10 -0.02 0.00 0.51 0.00 0.00 43.02 40.22 1lji s PHE 3 CO -0.01 -0.65 1.05 0.20 0.70 0.00 0.00 175.22 176.51 1lji s GLY 4 N -1.69 1.65 0.11 4.36 0.00 -1.26 -4.86 107.32 105.63 1lji s GLY 4 Ca 0.60 -0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.96 1lji s GLY 4 CO 0.25 0.17 1.71 -0.09 0.00 0.00 0.00 173.10 175.14 1lji h ARG 5 N -0.49 -0.09 -0.11 2.90 2.43 -1.97 -1.59 114.38 115.46 1lji h ARG 5 Ca -0.44 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.57 1lji h ARG 5 Cb 1.21 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1lji h ARG 5 CO 0.62 -0.06 -0.61 0.00 -1.51 0.00 0.00 179.97 178.41 1lji h GLU 7 N 0.28 1.20 -0.14 0.00 4.81 -1.90 0.76 114.58 119.60 1lji h GLU 7 Ca -0.01 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 1lji h GLU 7 Cb 1.14 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 30.26 1lji h GLU 7 CO 0.10 0.81 -0.58 1.25 -0.73 0.00 0.00 179.01 179.86 1lji h LEU 8 N 1.24 0.76 -0.40 1.64 5.85 -1.16 -2.14 115.31 121.09 1lji h LEU 8 Ca 0.33 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1lji h LEU 8 Cb -0.12 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.63 1lji h LEU 8 CO -0.07 1.25 0.09 0.00 -0.34 0.00 0.00 178.44 179.37 1lji h ALA 9 N 0.53 0.44 -0.26 1.25 0.00 -0.79 0.10 119.26 120.53 1lji h ALA 9 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1lji h ALA 9 Cb 1.21 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1lji h ALA 9 CO 0.12 -0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.19 1lji h ALA 10 N 1.29 0.31 -0.99 0.00 0.00 -0.85 0.19 119.26 119.22 1lji h ALA 10 Ca 0.19 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1lji h ALA 10 Cb 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1lji h ALA 10 CO -0.24 -0.26 0.65 0.00 0.00 0.00 0.00 179.25 179.40 1lji h ALA 11 N 1.13 1.28 -0.23 0.00 0.00 -0.66 -0.29 119.26 120.49 1lji h ALA 11 Ca 0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1lji h ALA 11 Cb 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1lji h ALA 11 CO -0.07 0.59 -0.35 0.52 0.00 0.00 0.00 179.25 179.94 1lji h MET 12 N 1.30 0.64 -0.67 0.00 2.86 -0.40 -2.38 114.93 116.28 1lji h MET 12 Ca 0.38 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1lji h MET 12 Cb -0.08 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1lji h MET 12 CO -0.10 1.00 0.35 -0.22 1.06 0.00 0.00 176.91 179.00 1lji h LYS 13 N 0.34 0.94 0.00 1.72 3.64 -0.68 -1.00 116.57 121.52 1lji h LYS 13 Ca 0.02 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1lji h LYS 13 Cb 0.94 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1lji h LYS 13 CO 0.08 0.70 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.70 1lji h ARG 14 N 0.94 0.00 -0.62 1.90 2.43 -0.91 -1.99 114.38 116.13 1lji h ARG 14 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1lji h ARG 14 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1lji h ARG 14 CO -0.04 0.17 0.00 0.72 -1.51 0.00 0.00 179.97 179.31 1lji n HIS 15 N -4.08 1.08 -1.96 2.20 8.25 -0.44 -4.95 115.22 115.32 1lji n HIS 15 Ca -0.02 -0.46 -0.04 0.00 -0.26 0.00 0.00 57.72 56.94 1lji n HIS 15 Cb 0.25 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 1.18 0.26 0.11 -1.41 0.00 -0.75 -4.98 105.19 99.61 1lji n GLY 16 Ca 0.21 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.50 1lji n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lji h LEU 17 N 0.00 0.00 -9.08 0.99 3.38 -1.59 -3.40 115.31 105.61 1lji h LEU 17 Ca -0.09 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 1lji h LEU 17 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1lji h LEU 17 CO 0.11 0.50 1.34 -0.62 0.09 0.00 0.00 178.44 179.86 1lji s ASP 18 N -5.90 5.92 0.00 -0.43 2.15 -1.26 -1.53 116.67 115.61 1lji s ASP 18 Ca -0.01 2.00 0.00 0.00 0.43 0.00 0.00 52.55 54.97 1lji s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1lji s ASP 18 CO 0.79 -1.58 0.00 0.59 -0.17 0.00 0.00 175.17 174.81 1lji n ASN 19 N 9.90 -3.45 -4.70 -0.34 5.03 0.95 -4.83 115.26 117.83 1lji n ASN 19 Ca 0.25 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.28 1lji n ASN 19 Cb 0.44 -1.17 -0.03 0.00 -1.02 0.00 0.00 39.78 38.00 1lji n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1lji s TYR 20 N -1.87 2.48 -1.79 3.10 5.04 -0.58 -0.92 117.35 122.81 1lji s TYR 20 Ca 0.00 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1lji s TYR 20 Cb 0.00 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1lji s TYR 20 CO 0.00 -4.29 0.00 0.54 -1.34 0.00 0.00 175.55 170.46 1lji n ARG 21 N 5.13 -1.55 -0.69 4.97 5.12 -1.26 -1.44 116.66 126.94 1lji n ARG 21 Ca 0.16 1.00 0.00 0.00 -1.93 0.00 0.00 57.85 57.09 1lji n ARG 21 Cb 0.38 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.24 1lji n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lji n GLY 22 N -0.54 0.65 3.37 -0.13 0.00 -0.09 -5.04 105.19 103.41 1lji n GLY 22 Ca -0.19 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 3.24 0.79 1.61 2.02 -0.52 -4.91 117.35 117.58 1lji s TYR 23 Ca 0.00 -0.96 -0.14 0.00 -0.37 0.00 0.00 57.07 55.60 1lji s TYR 23 Cb 0.00 -2.41 0.05 0.00 -0.40 0.00 0.00 41.96 39.20 1lji s TYR 23 CO 0.00 -0.63 1.07 -1.13 -1.57 0.00 0.00 175.55 173.29 1lji n SER 24 N 4.98 0.64 -0.29 2.29 3.41 -1.26 -0.04 113.62 123.35 1lji n SER 24 Ca -0.12 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 1lji n SER 24 Cb 0.46 -1.45 0.25 0.00 -0.26 0.00 0.00 64.21 63.21 1lji n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1lji h LEU 25 N -0.70 0.43 -0.95 1.04 5.85 -1.88 -0.28 115.31 118.81 1lji h LEU 25 Ca -0.47 0.11 0.22 0.00 0.84 0.00 0.00 57.88 58.59 1lji h LEU 25 Cb 1.31 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.28 1lji h LEU 25 CO 0.46 0.13 0.52 1.23 -0.34 0.00 0.00 178.44 180.43 1lji h GLY 26 N 0.53 1.72 0.86 3.75 0.00 -1.90 -0.13 103.07 107.89 1lji h GLY 26 Ca 0.49 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.58 1lji h GLY 26 CO -0.42 -0.20 0.30 3.43 0.00 0.00 0.00 176.54 179.65 1lji h ASN 27 N 0.55 0.49 -0.34 0.19 2.35 -1.27 -0.13 115.58 117.42 1lji h ASN 27 Ca 0.59 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 56.24 1lji h ASN 27 Cb 1.07 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 1lji h ASN 27 CO -0.47 0.34 -0.19 -0.50 -1.65 0.00 0.00 177.43 174.97 1lji h TRP 28 N 0.60 0.85 -0.62 1.19 4.06 -1.08 -0.46 115.95 120.49 1lji h TRP 28 Ca 0.21 -0.22 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1lji h TRP 28 Cb 0.04 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 1lji h TRP 28 CO -0.07 0.94 0.08 0.28 -3.56 0.00 0.00 178.44 176.12 1lji h VAL 29 N 0.51 1.26 -0.46 1.49 2.07 -1.09 -1.21 116.25 118.81 1lji h VAL 29 Ca 0.07 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 1lji h VAL 29 Cb 0.73 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1lji h VAL 29 CO 0.05 0.38 -0.02 0.00 0.02 0.00 0.00 177.57 178.00 1lji h ALA 31 N 0.91 0.64 -0.66 0.00 0.00 -0.84 -2.23 119.26 117.08 1lji h ALA 31 Ca 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1lji h ALA 31 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1lji h ALA 31 CO 0.03 0.17 0.22 0.00 0.00 0.00 0.00 179.25 179.66 1lji h ALA 32 N 1.11 1.13 -0.44 0.00 0.00 -1.06 0.62 119.26 120.63 1lji h ALA 32 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1lji h ALA 32 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1lji h ALA 32 CO -0.03 0.60 0.22 -0.22 0.00 0.00 0.00 179.25 179.82 1lji h LYS 33 N 0.97 0.63 0.00 0.00 3.11 -0.76 -1.81 116.57 118.72 1lji h LYS 33 Ca 0.22 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1lji h LYS 33 Cb 0.26 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1lji h LYS 33 CO -0.01 0.54 -0.74 0.74 -2.81 0.00 0.00 179.45 177.17 1lji h PHE 34 N 0.57 0.00 0.14 1.91 0.04 -1.26 0.73 116.94 119.08 1lji h PHE 34 Ca 0.15 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.68 1lji h PHE 34 Cb 0.11 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.27 1lji h PHE 34 CO -0.01 0.00 -1.14 0.93 -0.60 0.00 0.00 178.31 177.49 1lji h GLU 35 N 0.00 0.30 0.00 1.51 4.39 -0.85 -3.43 114.58 116.50 1lji h GLU 35 Ca 0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1lji h GLU 35 Cb 0.84 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1lji h GLU 35 CO 0.00 1.25 0.00 -1.13 -1.16 0.00 0.00 179.01 177.97 1lji n SER 36 N -3.99 0.18 -3.62 1.42 3.41 -0.73 -4.83 113.62 105.46 1lji n SER 36 Ca -0.19 -1.04 -0.26 0.00 -0.26 0.00 0.00 58.87 57.12 1lji n SER 36 Cb 0.89 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.89 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 -0.02 -5.71 -0.96 4.04 5.15 0.25 -1.82 115.26 116.19 1lji n ASN 37 Ca 0.00 -0.58 -0.12 0.00 -0.60 0.00 0.00 54.58 53.27 1lji n ASN 37 Cb 0.29 -4.53 -0.05 0.00 -0.53 0.00 0.00 39.78 34.95 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 -4.79 0.00 -3.39 1.20 3.72 -1.17 -4.88 117.46 108.16 1lji n PHE 38 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 1lji n PHE 38 Cb 0.55 -2.49 -0.09 0.00 -0.94 0.00 0.00 39.48 36.52 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 -2.67 6.19 0.41 4.37 3.84 -0.76 -1.70 114.94 124.63 1lji s ASN 39 Ca 0.00 -0.27 0.29 0.00 0.21 0.00 0.00 52.86 53.09 1lji s ASN 39 Cb 0.00 -2.20 1.24 0.00 -0.55 0.00 0.00 41.25 39.74 1lji s ASN 39 CO 0.00 -0.37 1.87 0.71 -2.79 0.00 0.00 177.10 176.51 1lji h THR 40 N 5.56 0.00 -0.01 -5.21 1.35 -1.39 -2.76 112.91 110.45 1lji h THR 40 Ca -0.29 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1lji h THR 40 Cb 1.14 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1lji h THR 40 CO 0.71 0.00 -0.39 0.00 -0.25 0.00 0.00 175.52 175.59 1lji n GLN 41 N -2.66 0.68 -1.63 4.72 1.13 -1.26 -4.08 117.38 114.28 1lji n GLN 41 Ca 0.01 -0.45 -0.47 0.00 -1.94 0.00 0.00 57.00 54.15 1lji n GLN 41 Cb 0.25 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.06 1lji n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lji n ALA 42 N -0.77 0.37 -3.10 -1.58 0.00 -1.04 -4.72 120.51 109.67 1lji n ALA 42 Ca 0.10 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 1lji n ALA 42 Cb 0.36 -2.21 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 1lji n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1lji s THR 43 N 0.31 -0.01 -0.09 0.00 -4.23 -1.26 -0.38 115.64 109.98 1lji s THR 43 Ca 0.76 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1lji s THR 43 Cb -0.76 -0.10 0.03 0.00 1.34 0.00 0.00 72.50 73.00 1lji s THR 43 CO 0.46 0.02 -0.04 0.21 -0.54 0.00 0.00 174.62 174.73 1lji s ASN 44 N 0.25 1.88 0.06 3.99 2.47 -0.65 -4.96 114.94 117.98 1lji s ASN 44 Ca -0.02 -0.20 -0.25 0.00 0.42 0.00 0.00 52.86 52.81 1lji s ASN 44 Cb -0.03 -0.65 -0.06 0.00 -1.45 0.00 0.00 41.25 39.06 1lji s ASN 44 CO -0.01 -0.15 0.79 -0.60 -3.72 0.00 0.00 177.10 173.41 1lji s ARG 45 N 1.79 4.52 0.29 0.43 3.00 -1.26 -0.30 118.95 127.42 1lji s ARG 45 Ca 0.04 1.11 0.05 0.00 -1.00 0.00 0.00 55.73 55.93 1lji s ARG 45 Cb -0.12 -3.36 -0.02 0.00 0.00 0.00 0.00 34.95 31.44 1lji s ARG 45 CO -0.07 0.29 0.42 -0.80 0.00 0.00 0.00 175.30 175.14 1lji s ASN 46 N -0.09 6.19 0.00 -2.12 0.01 0.73 -4.97 114.94 114.69 1lji s ASN 46 Ca 0.39 0.03 0.24 0.00 -0.71 0.00 0.00 52.86 52.81 1lji s ASN 46 Cb -0.21 -1.67 1.12 0.00 0.41 0.00 0.00 41.25 40.90 1lji s ASN 46 CO 0.24 -0.23 1.78 0.35 -1.51 0.00 0.00 177.10 177.73 1lji n THR 47 N -1.54 0.31 1.12 1.60 -2.24 -1.26 -2.96 114.28 109.30 1lji n THR 47 Ca -0.05 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1lji n THR 47 Cb 0.57 -0.68 0.36 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.38 2.03 0.00 3.42 5.75 -1.26 -4.91 116.55 120.20 1lji n ASP 48 Ca 0.09 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1lji n ASP 48 Cb 0.23 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 1.22 0.55 3.99 6.12 0.00 -1.15 -4.92 105.19 110.99 1lji n GLY 49 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.87 5.50 0.01 1.61 1.04 -1.26 -4.51 113.70 113.22 1lji s SER 50 Ca 0.00 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1lji s SER 50 Cb 0.00 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.54 1lji s SER 50 CO 0.00 -0.78 -0.01 -0.89 0.98 0.00 0.00 173.24 172.53 1lji s THR 51 N -2.40 0.06 -0.15 2.02 2.01 -1.26 -0.19 115.64 115.72 1lji s THR 51 Ca 0.54 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 1lji s THR 51 Cb -0.08 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1lji s THR 51 CO 0.32 -0.20 0.15 -1.81 -0.69 0.00 0.00 174.62 172.39 1lji s ASP 52 N -0.60 6.33 0.02 3.53 1.01 0.59 -1.11 116.67 126.43 1lji s ASP 52 Ca -0.06 0.38 0.08 0.00 0.71 0.00 0.00 52.55 53.66 1lji s ASP 52 Cb -0.04 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1lji s ASP 52 CO -0.00 0.29 -0.23 -0.31 0.21 0.00 0.00 175.17 175.12 1lji s TYR 53 N -0.35 2.07 0.02 4.23 1.51 0.65 -1.63 117.35 123.84 1lji s TYR 53 Ca 0.12 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1lji s TYR 53 Cb -0.12 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1lji s TYR 53 CO 0.02 0.06 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 1lji n GLY 54 N 2.04 -1.81 0.42 0.71 0.00 0.49 -1.25 105.19 105.78 1lji n GLY 54 Ca -0.17 -1.32 0.24 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.08 0.66 -0.19 -0.61 2.10 -1.70 -0.28 117.51 117.41 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 0.07 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 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 -4.33 3.05 -3.96 2.19 4.77 -1.26 -4.12 117.00 113.34 1lji n LEU 56 Ca 0.13 -2.64 -0.42 0.00 -0.03 0.00 0.00 56.01 53.05 1lji n LEU 56 Cb 0.75 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1lji n LEU 56 CO 0.38 0.67 -0.14 0.00 -1.33 0.00 0.00 177.39 176.96 1lji n GLN 57 N -0.47 -0.54 -2.66 3.23 1.13 -0.12 -4.90 117.38 113.06 1lji n GLN 57 Ca 0.15 0.21 -0.42 0.00 -1.94 0.00 0.00 57.00 55.00 1lji n GLN 57 Cb 0.63 -2.92 -0.04 0.00 0.11 0.00 0.00 30.24 28.03 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 -3.48 4.55 0.07 5.09 1.01 -0.38 -4.38 121.20 123.67 1lji s ILE 58 Ca 0.47 1.95 -0.30 0.00 0.00 0.00 0.00 60.65 62.76 1lji s ILE 58 Cb -0.23 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1lji s ILE 58 CO 0.94 0.22 1.02 0.21 0.00 0.00 0.00 174.94 177.33 1lji s ASN 59 N 0.57 7.36 0.33 3.58 3.84 -1.26 -0.25 114.94 129.10 1lji s ASN 59 Ca 0.51 1.81 0.26 0.00 0.21 0.00 0.00 52.86 55.65 1lji s ASN 59 Cb -0.24 -2.58 1.03 0.00 -0.55 0.00 0.00 41.25 38.91 1lji s ASN 59 CO 0.29 -0.22 1.78 0.77 -2.79 0.00 0.00 177.10 176.93 1lji h SER 60 N 6.17 0.00 0.14 -4.21 4.64 -1.35 -2.49 113.55 116.45 1lji h SER 60 Ca -0.42 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1lji h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1lji h SER 60 CO 0.75 0.00 -0.27 -0.09 -0.87 0.00 0.00 176.83 176.34 1lji h ARG 61 N 0.00 0.22 0.00 4.77 9.65 -1.84 -3.39 114.38 123.79 1lji h ARG 61 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1lji h ARG 61 Cb 0.47 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1lji h ARG 61 CO 0.00 0.48 -0.50 0.91 2.80 0.00 0.00 179.97 183.65 1lji n TRP 62 N -4.15 0.00 -0.06 2.20 8.01 -1.22 -1.50 117.44 120.71 1lji n TRP 62 Ca -0.01 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.07 1lji n TRP 62 Cb 0.37 0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.52 1lji n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1lji n TRP 63 N -1.20 0.50 -4.01 -5.99 7.02 -0.94 -1.46 117.44 111.36 1lji n TRP 63 Ca 0.00 0.17 -0.08 0.00 -1.02 0.00 0.00 57.50 56.57 1lji n TRP 63 Cb 0.22 -1.09 -0.09 0.00 -2.42 0.00 0.00 31.31 27.93 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 -2.77 6.00 -0.02 0.00 2.47 -0.69 -4.52 114.94 115.41 1lji s ASN 65 Ca 0.04 0.04 0.04 0.00 0.42 0.00 0.00 52.86 53.41 1lji s ASN 65 Cb 0.06 -2.10 0.11 0.00 -1.45 0.00 0.00 41.25 37.87 1lji s ASN 65 CO -0.09 0.01 1.08 -0.90 -3.72 0.00 0.00 177.10 173.48 1lji n ASP 66 N 4.64 2.30 -0.24 -4.21 5.75 -1.26 -1.40 116.55 122.13 1lji n ASP 66 Ca -0.15 -2.12 -0.03 0.00 -0.01 0.00 0.00 54.79 52.49 1lji n ASP 66 Cb 0.52 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.49 1lji n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lji n GLY 67 N -0.34 0.30 1.23 6.12 0.00 -1.26 -4.76 105.19 106.48 1lji n GLY 67 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 0.48 0.00 -4.09 1.61 1.85 -1.26 -5.04 116.66 110.21 1lji n ARG 68 Ca -0.03 -1.73 -0.32 0.00 -1.00 0.00 0.00 57.85 54.77 1lji n ARG 68 Cb 0.52 -0.13 -0.16 0.00 -1.05 0.00 0.00 32.46 31.65 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 0.00 2.07 0.27 8.89 2.01 -1.26 -4.88 115.64 122.74 1lji s THR 69 Ca 0.25 -1.24 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 1lji s THR 69 Cb 0.28 -2.02 -0.13 0.00 0.01 0.00 0.00 72.50 70.64 1lji s THR 69 CO -0.12 0.26 1.36 -2.65 -0.69 0.00 0.00 174.62 172.78 1lji n PRO 70 N 4.55 2.04 -4.16 4.92 -0.02 -1.26 -2.65 135.00 138.40 1lji n PRO 70 Ca -0.17 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 1lji n PRO 70 Cb 0.46 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 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 1.72 -0.31 3.87 -1.23 0.00 -1.26 -4.92 105.19 103.06 1lji n GLY 71 Ca 0.09 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1lji n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lji s SER 72 N -3.86 6.62 0.14 1.61 1.04 -1.09 -4.96 113.70 113.21 1lji s SER 72 Ca 0.36 0.99 0.09 0.00 0.48 0.00 0.00 55.95 57.87 1lji s SER 72 Cb -0.20 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1lji s SER 72 CO 0.93 -0.15 -0.18 -0.60 0.98 0.00 0.00 173.24 174.22 1lji s ARG 73 N -3.07 1.76 -0.67 4.02 3.52 -0.57 -4.99 118.95 118.95 1lji s ARG 73 Ca 0.49 -1.26 0.05 0.00 -0.13 0.00 0.00 55.73 54.88 1lji s ARG 73 Cb -0.11 -2.07 0.28 0.00 -1.56 0.00 0.00 34.95 31.49 1lji s ARG 73 CO 0.23 0.46 0.87 -1.71 -0.81 0.00 0.00 175.30 174.34 1lji n ASN 74 N 0.61 4.22 0.29 -2.12 5.15 -1.24 -3.57 115.26 118.60 1lji n ASN 74 Ca -0.15 -3.50 0.16 0.00 -0.60 0.00 0.00 54.58 50.49 1lji n ASN 74 Cb 0.54 -0.70 0.89 0.00 -0.53 0.00 0.00 39.78 39.97 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 4.01 0.00 -0.87 1.20 3.38 -1.35 -0.88 115.31 120.80 1lji h LEU 75 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1lji h LEU 75 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1lji h LEU 75 CO 0.88 0.05 -0.30 0.00 0.09 0.00 0.00 178.44 179.16 1lji n ASN 77 N -0.14 -2.64 -3.69 0.00 2.85 -0.34 -5.01 115.26 106.30 1lji n ASN 77 Ca 0.12 -0.68 -0.12 0.00 -0.11 0.00 0.00 54.58 53.79 1lji n ASN 77 Cb 0.42 -4.70 -0.07 0.00 1.24 0.00 0.00 39.78 36.67 1lji n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1lji s ILE 78 N -3.44 0.07 0.31 -1.44 -5.25 -1.26 -5.08 121.20 105.11 1lji s ILE 78 Ca 0.14 -0.54 -0.28 0.00 -0.99 0.00 0.00 60.65 58.98 1lji s ILE 78 Cb -0.06 -0.96 -0.09 0.00 2.95 0.00 0.00 42.46 44.29 1lji s ILE 78 CO 0.76 -0.30 1.10 -2.16 -1.79 0.00 0.00 174.94 172.55 1lji s PRO 79 N -2.59 4.50 0.57 0.37 0.04 -1.26 -1.71 135.00 134.91 1lji s PRO 79 Ca -0.05 1.76 0.27 0.00 0.04 0.00 0.00 61.00 63.02 1lji s PRO 79 Cb -0.01 -3.02 1.61 0.00 0.04 0.00 0.00 34.50 33.13 1lji s PRO 79 CO -0.03 0.10 2.13 0.00 0.04 0.00 0.00 177.00 179.23 1lji h SER 81 N 0.00 0.00 0.64 0.00 4.64 -1.90 -0.79 113.55 116.14 1lji h SER 81 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1lji h SER 81 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1lji h SER 81 CO -0.00 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1lji h ALA 82 N 1.85 1.00 -0.00 5.18 0.00 -1.60 -1.30 119.26 124.38 1lji h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lji h ALA 82 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1lji h ALA 82 CO 0.02 0.00 -0.06 1.28 0.00 0.00 0.00 179.25 180.49 1lji n LEU 83 N -2.60 0.55 -1.15 0.00 4.77 -0.30 -3.38 117.00 114.89 1lji n LEU 83 Ca 0.01 -0.09 0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1lji n LEU 83 Cb 0.21 -0.11 0.28 0.00 -2.33 0.00 0.00 43.42 41.47 1lji n LEU 83 CO 0.21 0.10 0.74 0.18 -1.33 0.00 0.00 177.39 177.28 1lji n LEU 84 N -0.76 4.00 -4.87 2.23 4.77 -0.49 -3.86 117.00 118.02 1lji n LEU 84 Ca 0.17 -2.40 -0.30 0.00 -0.03 0.00 0.00 56.01 53.45 1lji n LEU 84 Cb 0.25 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1lji n LEU 84 CO 0.21 0.77 0.74 -0.94 -1.33 0.00 0.00 177.39 176.84 1lji s SER 85 N -1.15 5.62 0.03 -1.43 1.04 -1.22 -4.49 113.70 112.10 1lji s SER 85 Ca 0.41 1.27 0.25 0.00 0.48 0.00 0.00 55.95 58.35 1lji s SER 85 Cb 0.27 -2.14 1.03 0.00 0.10 0.00 0.00 66.02 65.27 1lji s SER 85 CO 0.19 -1.24 1.78 -1.20 0.98 0.00 0.00 173.24 173.75 1lji n SER 86 N -2.96 0.10 -4.51 7.02 7.64 -1.26 -4.51 113.62 115.14 1lji n SER 86 Ca 0.07 0.51 -0.39 0.00 1.01 0.00 0.00 58.87 60.07 1lji n SER 86 Cb 0.56 -0.54 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 1lji n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lji s ASP 87 N -3.18 5.88 0.00 6.43 -1.08 -1.26 -4.98 116.67 118.48 1lji s ASP 87 Ca 0.11 -0.40 0.27 0.00 -0.52 0.00 0.00 52.55 52.01 1lji s ASP 87 Cb 0.16 -2.09 1.43 0.00 -1.46 0.00 0.00 42.92 40.96 1lji s ASP 87 CO 0.46 -0.20 1.94 2.30 0.52 0.00 0.00 175.17 180.19 1lji n ILE 88 N 5.06 0.10 -0.34 4.11 -5.35 -1.26 -4.28 119.36 117.40 1lji n ILE 88 Ca -0.13 0.03 -0.02 0.00 -0.27 0.00 0.00 62.75 62.35 1lji n ILE 88 Cb 0.50 -0.59 0.03 0.00 -1.74 0.00 0.00 39.64 37.84 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 0.00 0.04 -0.23 7.28 2.02 -1.95 0.24 112.91 120.31 1lji h THR 89 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1lji h THR 89 Cb 0.18 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1lji h THR 89 CO 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.87 1lji h ALA 90 N 1.26 0.18 -0.86 6.16 0.00 -1.87 -1.17 119.26 122.96 1lji h ALA 90 Ca 0.31 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1lji h ALA 90 Cb 0.58 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1lji h ALA 90 CO -0.91 -0.45 0.53 0.77 0.00 0.00 0.00 179.25 179.19 1lji h SER 91 N 0.04 1.02 -0.21 0.00 0.02 -1.46 -1.73 113.55 111.23 1lji h SER 91 Ca 0.11 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1lji h SER 91 Cb 0.15 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1lji h SER 91 CO -0.21 0.77 0.03 0.58 -1.14 0.00 0.00 176.83 176.87 1lji h VAL 92 N 1.17 1.23 -0.63 2.27 2.07 -0.60 0.18 116.25 121.95 1lji h VAL 92 Ca 0.31 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1lji h VAL 92 Cb -0.07 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1lji h VAL 92 CO -0.06 0.23 0.26 0.78 0.02 0.00 0.00 177.57 178.80 1lji h ASN 93 N 0.15 0.83 -0.22 0.57 2.35 -1.10 0.28 115.58 118.44 1lji h ASN 93 Ca 0.06 -0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 1lji h ASN 93 Cb 0.32 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1lji h ASN 93 CO 0.00 0.74 -0.45 0.00 -1.65 0.00 0.00 177.43 176.08 1lji h ALA 95 N 0.62 1.50 -0.02 0.00 0.00 -0.15 -0.98 119.26 120.23 1lji h ALA 95 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1lji h ALA 95 Cb 1.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1lji h ALA 95 CO 0.10 0.46 -0.10 0.87 0.00 0.00 0.00 179.25 180.58 1lji h LYS 96 N 0.94 0.03 0.20 0.00 1.57 -0.86 -0.11 116.57 118.33 1lji h LYS 96 Ca 0.25 -0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.71 1lji h LYS 96 Cb -0.11 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.23 1lji h LYS 96 CO -0.05 0.13 -1.39 -0.22 -0.57 0.00 0.00 179.45 177.35 1lji h LYS 97 N 0.03 0.51 -0.03 3.15 3.64 -1.16 -3.26 116.57 119.45 1lji h LYS 97 Ca 0.01 -0.82 -0.00 0.00 -1.27 0.00 0.00 60.65 58.56 1lji h LYS 97 Cb 0.20 0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1lji h LYS 97 CO 0.01 1.39 0.01 0.82 -2.27 0.00 0.00 179.45 179.41 1lji h ILE 98 N 0.16 1.13 0.00 2.00 2.04 -0.65 -2.70 117.51 119.49 1lji h ILE 98 Ca -0.22 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1lji h ILE 98 Cb 2.08 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1lji h ILE 98 CO 0.26 0.10 0.00 1.62 0.00 0.00 0.00 178.15 180.13 1lji h VAL 99 N -0.11 0.00 -0.70 1.67 3.04 -1.17 0.23 116.25 119.21 1lji h VAL 99 Ca 0.01 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1lji h VAL 99 Cb 0.16 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 1lji h VAL 99 CO -0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 1lji n SER 100 N -2.95 4.34 -1.07 3.17 7.64 -1.04 -3.47 113.62 120.25 1lji n SER 100 Ca -0.02 -2.20 0.03 0.00 1.01 0.00 0.00 58.87 57.69 1lji n SER 100 Cb 0.09 -0.53 0.18 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.43 2.97 0.00 6.43 2.03 0.07 -4.87 116.55 124.61 1lji n ASP 101 Ca 0.25 -2.37 0.00 0.00 0.52 0.00 0.00 54.79 53.20 1lji n ASP 101 Cb 0.75 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.39 0.89 0.00 0.27 0.00 -1.26 -4.93 105.19 100.55 1lji n GLY 102 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1lji n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lji n ASN 103 N 0.03 0.25 0.00 1.61 3.02 -1.26 -5.13 115.26 113.78 1lji n ASN 103 Ca 0.00 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1lji n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1lji n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lji n GLY 104 N -0.03 1.47 0.03 7.41 0.00 -1.23 -1.69 105.19 111.15 1lji n GLY 104 Ca 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 3.34 1.04 0.06 1.61 2.81 -1.26 -3.42 117.12 121.30 1lji n MET 105 Ca 0.00 -0.06 0.07 0.00 -1.81 0.00 0.00 57.70 55.90 1lji n MET 105 Cb 0.00 -1.35 0.30 0.00 -0.71 0.00 0.00 33.22 31.46 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 -0.78 0.23 0.27 7.83 3.02 -0.68 -1.80 115.26 123.35 1lji n ASN 106 Ca 0.16 0.58 0.13 0.00 -0.03 0.00 0.00 54.58 55.42 1lji n ASN 106 Cb 0.09 -0.62 0.75 0.00 -0.61 0.00 0.00 39.78 39.39 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 2.21 1.33 -2.54 5.41 0.00 -1.71 -3.37 119.26 120.59 1lji h ALA 107 Ca 0.00 -0.09 -0.72 0.00 0.00 0.00 0.00 54.91 54.10 1lji h ALA 107 Cb 0.15 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.70 1lji h ALA 107 CO 0.00 0.13 -0.43 -1.58 0.00 0.00 0.00 179.25 177.37 1lji s TRP 108 N -4.27 3.25 0.38 0.00 0.51 -0.74 -4.96 118.94 113.10 1lji s TRP 108 Ca -0.03 -0.76 0.04 0.00 -2.12 0.00 0.00 56.10 53.23 1lji s TRP 108 Cb 0.13 -2.67 0.73 0.00 -0.81 0.00 0.00 33.47 30.85 1lji s TRP 108 CO 0.58 -0.65 2.02 -0.24 -0.51 0.00 0.00 176.95 178.16 1lji h VAL 109 N 5.72 1.14 -0.21 4.03 3.04 -1.85 -1.57 116.25 126.54 1lji h VAL 109 Ca -0.27 -0.28 -0.11 0.00 -1.01 0.00 0.00 66.70 65.03 1lji h VAL 109 Cb 1.11 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 1lji h VAL 109 CO 0.74 0.14 -0.35 0.00 -1.01 0.00 0.00 177.57 177.09 1lji h ALA 110 N 1.66 1.00 -0.20 3.17 0.00 -1.92 -0.20 119.26 122.76 1lji h ALA 110 Ca 0.19 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1lji h ALA 110 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1lji h ALA 110 CO -0.04 0.60 -0.01 2.35 0.00 0.00 0.00 179.25 182.15 1lji h TRP 111 N 0.39 0.40 -0.42 0.00 7.01 -1.66 0.04 115.95 121.70 1lji h TRP 111 Ca 0.04 -0.07 0.03 0.00 2.11 0.00 0.00 58.89 60.99 1lji h TRP 111 Cb 0.80 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.73 1lji h TRP 111 CO 0.03 0.57 0.23 -0.09 -2.79 0.00 0.00 178.44 176.39 1lji h ARG 112 N 0.11 0.45 0.00 2.65 1.12 -1.08 0.43 114.38 118.07 1lji h ARG 112 Ca 0.06 -0.03 -0.18 0.00 -1.11 0.00 0.00 59.98 58.72 1lji h ARG 112 Cb 0.42 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1lji h ARG 112 CO 0.01 0.30 -0.85 -0.91 -3.11 0.00 0.00 179.97 175.41 1lji h ASN 113 N 0.46 0.09 0.00 -3.80 2.35 -0.96 -3.35 115.58 110.36 1lji h ASN 113 Ca 0.17 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1lji h ASN 113 Cb 0.05 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1lji h ASN 113 CO -0.10 0.89 0.00 0.54 -1.65 0.00 0.00 177.43 177.11 1lji n ARG 114 N -3.59 4.07 -0.01 0.81 1.74 -0.01 -4.86 116.66 114.82 1lji n ARG 114 Ca -0.02 -0.16 -0.01 0.00 -0.77 0.00 0.00 57.85 56.90 1lji n ARG 114 Cb 0.80 -0.63 -0.01 0.00 -1.02 0.00 0.00 32.46 31.60 1lji n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lji n LYS 116 N -2.39 2.30 -0.74 0.00 4.81 -0.15 -1.99 118.16 120.01 1lji n LYS 116 Ca -0.03 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1lji n LYS 116 Cb 0.54 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.97 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 3.57 1.11 4.00 3.14 0.00 -1.26 -4.99 105.19 110.76 1lji n GLY 117 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1lji n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lji s THR 118 N -3.29 2.29 -1.31 2.61 -4.23 -0.84 -4.98 115.64 105.88 1lji s THR 118 Ca 0.00 -0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 59.62 1lji s THR 118 Cb 0.00 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.39 1lji s THR 118 CO 0.00 0.00 1.77 -0.67 -0.54 0.00 0.00 174.62 175.18 1lji n ASP 119 N -2.53 4.83 0.13 3.99 2.03 -1.26 -4.77 116.55 118.96 1lji n ASP 119 Ca 0.14 -2.94 0.10 0.00 0.52 0.00 0.00 54.79 52.61 1lji n ASP 119 Cb 0.61 -1.67 0.48 0.00 -0.72 0.00 0.00 41.12 39.82 1lji n ASP 119 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1lji n VAL 120 N 5.50 1.04 0.23 5.18 0.24 -1.26 -2.61 118.33 126.66 1lji n VAL 120 Ca 0.46 0.49 0.07 0.00 -2.04 0.00 0.00 64.34 63.33 1lji n VAL 120 Cb 0.43 -1.45 0.60 0.00 -1.47 0.00 0.00 33.84 31.95 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 0.05 -0.22 7.34 4.15 -1.90 -2.22 115.11 122.30 1lji h GLN 121 Ca 0.00 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1lji h GLN 121 Cb 0.15 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1lji h GLN 121 CO 0.00 0.06 0.18 0.00 -1.93 0.00 0.00 178.83 177.14 1lji h ALA 122 N 1.95 2.07 0.00 3.38 0.00 -1.91 -1.44 119.26 123.31 1lji h ALA 122 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lji h ALA 122 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1lji h ALA 122 CO 0.00 -0.29 0.00 0.91 0.00 0.00 0.00 179.25 179.87 1lji n TRP 123 N -4.23 0.00 0.29 0.00 7.02 -0.84 -1.89 117.44 117.80 1lji n TRP 123 Ca 0.02 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.57 1lji n TRP 123 Cb 0.32 -0.41 0.10 0.00 -2.42 0.00 0.00 31.31 28.90 1lji n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1lji n ILE 124 N -1.41 0.34 -1.82 -0.99 -0.00 -0.54 -4.86 119.36 110.08 1lji n ILE 124 Ca 0.05 -0.67 -0.41 0.00 -0.00 0.00 0.00 62.75 61.72 1lji n ILE 124 Cb 0.15 1.01 -0.01 0.00 -0.00 0.00 0.00 39.64 40.79 1lji n ILE 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1lji s ARG 125 N -1.08 4.14 0.00 0.38 1.70 -0.79 -2.14 118.95 121.16 1lji s ARG 125 Ca 0.20 2.54 0.00 0.00 -0.47 0.00 0.00 55.73 58.00 1lji s ARG 125 Cb 0.12 -3.01 0.00 0.00 -0.57 0.00 0.00 34.95 31.50 1lji s ARG 125 CO 0.17 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.25 1lji n GLY 126 N 1.36 2.34 3.74 3.88 0.00 -1.26 -4.96 105.19 110.29 1lji n GLY 126 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1lji n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lji s ARG 128 N 0.02 3.73 0.00 0.00 3.00 -1.26 -5.12 118.95 119.32 1lji s ARG 128 Ca 0.43 -2.70 0.25 0.00 0.00 0.00 0.00 55.73 53.71 1lji s ARG 128 Cb -0.22 -4.43 0.32 0.00 0.00 0.00 0.00 34.95 30.63 1lji s ARG 128 CO 0.27 -1.27 1.34 1.28 0.00 0.00 0.00 175.30 176.91