#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1duj s SER 12 N 0.00 5.91 0.33 1.61 1.04 -1.23 -0.18 113.70 121.18 1duj s SER 12 Ca 0.00 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.48 1duj s SER 12 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.99 1duj s SER 12 CO 0.00 0.01 0.09 -0.63 0.98 0.00 0.00 173.24 173.70 1duj s ILE 13 N 1.36 0.83 -0.24 -1.02 1.01 0.24 -4.95 121.20 118.43 1duj s ILE 13 Ca 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.72 1duj s ILE 13 Cb -0.15 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.77 1duj s ILE 13 CO 0.07 0.00 -0.02 -0.89 0.00 0.00 0.00 174.94 174.10 1duj s THR 14 N -3.40 1.35 -1.19 2.92 2.01 -1.26 0.20 115.64 116.27 1duj s THR 14 Ca 0.33 -1.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 1duj s THR 14 Cb 0.07 -1.72 0.21 0.00 0.01 0.00 0.00 72.50 71.07 1duj s THR 14 CO 0.15 -0.20 1.39 0.18 -0.69 0.00 0.00 174.62 175.45 1duj n LEU 15 N 4.72 5.49 0.00 4.42 4.77 0.82 -4.87 117.00 132.35 1duj n LEU 15 Ca -0.10 -4.67 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 1duj n LEU 15 Cb 0.44 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 1duj n LEU 15 CO 0.17 1.00 0.00 -2.11 -1.33 0.00 0.00 177.39 175.12 1duj n ARG 16 N 4.47 1.41 0.00 3.23 1.85 -1.26 -4.01 116.66 122.34 1duj n ARG 16 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.18 1duj n ARG 16 Cb 0.41 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.82 1duj n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1duj n GLY 17 N 5.00 0.85 3.75 2.89 0.00 -1.04 -4.56 105.19 112.08 1duj n GLY 17 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1duj n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1duj s SER 18 N -4.00 -0.20 0.21 1.61 0.01 -1.26 -3.99 113.70 106.07 1duj s SER 18 Ca 0.00 -0.72 -0.19 0.00 1.31 0.00 0.00 55.95 56.36 1duj s SER 18 Cb 0.00 0.67 0.18 0.00 0.21 0.00 0.00 66.02 67.09 1duj s SER 18 CO 0.00 -1.26 1.58 0.00 0.41 0.00 0.00 173.24 173.97 1duj h ALA 19 N 2.10 0.09 0.09 1.44 0.00 -1.96 2.14 119.26 123.15 1duj h ALA 19 Ca -0.22 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1duj h ALA 19 Cb 1.25 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1duj h ALA 19 CO 0.28 -0.63 -0.04 0.93 0.00 0.00 0.00 179.25 179.79 1duj h GLU 20 N -0.10 -0.11 -0.80 0.00 5.08 -1.98 -2.64 114.58 114.03 1duj h GLU 20 Ca 0.28 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 1duj h GLU 20 Cb 0.57 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1duj h GLU 20 CO -0.78 0.41 0.52 0.82 -1.00 0.00 0.00 179.01 178.98 1duj h ILE 21 N -0.74 1.06 0.07 3.13 1.08 -1.77 -1.99 117.51 118.35 1duj h ILE 21 Ca -0.01 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1duj h ILE 21 Cb 0.57 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1duj h ILE 21 CO 0.02 0.16 -0.03 0.58 -0.69 0.00 0.00 178.15 178.19 1duj h VAL 22 N 0.89 1.05 -0.60 1.67 2.07 0.35 0.63 116.25 122.31 1duj h VAL 22 Ca 0.34 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1duj h VAL 22 Cb 0.19 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.19 1duj h VAL 22 CO -0.12 0.10 0.10 0.00 0.02 0.00 0.00 177.57 177.67 1duj h ALA 23 N 0.65 0.68 -0.06 1.67 0.00 -1.02 -0.85 119.26 120.33 1duj h ALA 23 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1duj h ALA 23 Cb 0.23 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1duj h ALA 23 CO 0.01 -0.33 -0.03 0.93 0.00 0.00 0.00 179.25 179.83 1duj h GLU 24 N 0.22 0.13 -0.70 0.00 5.08 -1.09 -2.58 114.58 115.64 1duj h GLU 24 Ca 0.31 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.77 1duj h GLU 24 Cb 0.48 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.60 1duj h GLU 24 CO -0.43 0.52 -0.05 0.74 -1.00 0.00 0.00 179.01 178.78 1duj h PHE 25 N -0.26 -0.15 0.30 4.33 -1.00 0.11 0.12 116.94 120.39 1duj h PHE 25 Ca 0.01 0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1duj h PHE 25 Cb 0.48 0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1duj h PHE 25 CO 0.07 -0.24 -0.14 0.35 -1.61 0.00 0.00 178.31 176.73 1duj h PHE 26 N 0.07 -0.38 -0.12 -0.55 3.04 -1.18 -0.27 116.94 117.54 1duj h PHE 26 Ca 0.37 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.35 1duj h PHE 26 Cb 0.61 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 39.19 1duj h PHE 26 CO -0.45 -0.06 -0.21 1.03 -2.02 0.00 0.00 178.31 176.60 1duj h SER 27 N -0.72 -0.65 -0.49 0.41 0.87 -0.96 1.48 113.55 113.50 1duj h SER 27 Ca -0.04 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1duj h SER 27 Cb 0.49 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1duj h SER 27 CO 0.07 -0.26 0.24 0.15 -0.53 0.00 0.00 176.83 176.49 1duj h PHE 28 N -0.27 0.70 -0.54 2.24 3.04 -0.82 0.69 116.94 121.97 1duj h PHE 28 Ca 0.10 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1duj h PHE 28 Cb 0.41 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1duj h PHE 28 CO -0.31 0.55 0.17 0.78 -2.02 0.00 0.00 178.31 177.48 1duj h GLY 29 N 0.64 0.91 0.70 2.40 0.00 -0.38 -0.24 103.07 107.10 1duj h GLY 29 Ca 0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1duj h GLY 29 CO -0.02 0.50 -0.03 -2.22 0.00 0.00 0.00 176.54 174.77 1duj h ILE 30 N 0.75 1.30 -0.01 2.60 1.08 0.25 -2.65 117.51 120.83 1duj h ILE 30 Ca 0.18 -0.97 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1duj h ILE 30 Cb 0.27 1.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1duj h ILE 30 CO -0.01 0.27 0.01 0.78 -0.69 0.00 0.00 178.15 178.51 1duj h ASN 31 N -0.17 0.00 0.08 1.72 2.35 0.49 -2.13 115.58 117.93 1duj h ASN 31 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1duj h ASN 31 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1duj h ASN 31 CO 0.01 0.00 -0.04 -1.28 -1.65 0.00 0.00 177.43 174.47 1duj h SER 32 N 0.00 -0.09 -0.91 5.81 0.87 -0.72 0.14 113.55 118.65 1duj h SER 32 Ca 0.00 -0.20 0.17 0.00 -1.23 0.00 0.00 61.79 60.53 1duj h SER 32 Cb 0.02 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 61.90 1duj h SER 32 CO -0.00 0.15 0.50 0.40 -0.53 0.00 0.00 176.83 177.35 1duj h ILE 33 N -0.33 0.71 -0.18 2.23 5.03 -1.06 0.77 117.51 124.68 1duj h ILE 33 Ca -0.01 -0.23 -0.04 0.00 -0.12 0.00 0.00 64.86 64.46 1duj h ILE 33 Cb 0.28 -0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.05 1duj h ILE 33 CO 0.02 0.12 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.51 1duj h LEU 34 N 0.67 0.34 0.05 1.44 -0.00 -1.20 0.63 115.31 117.25 1duj h LEU 34 Ca 0.51 -0.36 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1duj h LEU 34 Cb 0.76 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1duj h LEU 34 CO -0.38 0.62 -0.02 0.22 -0.00 0.00 0.00 178.44 178.88 1duj h TYR 35 N 0.06 -0.06 0.28 1.13 3.20 0.11 1.97 116.97 123.65 1duj h TYR 35 Ca 0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1duj h TYR 35 Cb 0.47 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1duj h TYR 35 CO 0.05 0.11 -0.14 1.96 -1.64 0.00 0.00 178.16 178.51 1duj h GLN 36 N -0.23 -0.36 0.00 1.82 7.50 0.47 -3.38 115.11 120.92 1duj h GLN 36 Ca -0.01 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.17 1duj h GLN 36 Cb 0.21 0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.82 1duj h GLN 36 CO 0.01 -0.03 -0.06 0.00 -1.50 0.00 0.00 178.83 177.25 1duj h ARG 37 N -0.75 0.00 -6.24 1.46 2.47 0.24 -3.47 114.38 108.09 1duj h ARG 37 Ca -0.04 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 1duj h ARG 37 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1duj h ARG 37 CO 0.06 0.00 -1.03 0.41 0.56 0.00 0.00 179.97 179.97 1duj n GLY 38 N 1.83 -0.48 0.00 0.04 0.00 0.67 -4.73 105.19 102.51 1duj n GLY 38 Ca -0.01 0.40 0.08 0.00 0.00 0.00 0.00 46.02 46.49 1duj n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1duj n ILE 39 N 0.79 0.49 -2.66 -0.61 5.41 -1.26 -4.09 119.36 117.43 1duj n ILE 39 Ca -0.02 0.12 -0.03 0.00 1.00 0.00 0.00 62.75 63.83 1duj n ILE 39 Cb 0.49 -0.84 0.10 0.00 -0.71 0.00 0.00 39.64 38.67 1duj n ILE 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1duj n TYR 40 N -1.28 -0.37 -0.49 1.39 4.11 -1.26 -3.48 117.16 115.79 1duj n TYR 40 Ca 0.08 -0.71 0.00 0.00 -0.00 0.00 0.00 57.90 57.27 1duj n TYR 40 Cb 0.13 1.17 0.00 0.00 -0.00 0.00 0.00 39.34 40.64 1duj n TYR 40 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1duj n PRO 41 N 0.34 1.78 -3.85 -3.48 -0.04 -1.26 -5.01 135.00 123.48 1duj n PRO 41 Ca -0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.27 1duj n PRO 41 Cb 0.74 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.15 1duj n PRO 41 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1duj s SER 42 N -1.00 -0.07 -0.58 3.54 0.01 -1.26 -5.02 113.70 109.32 1duj s SER 42 Ca 0.00 -0.67 -0.05 0.00 1.31 0.00 0.00 55.95 56.54 1duj s SER 42 Cb 0.00 0.47 -0.09 0.00 0.21 0.00 0.00 66.02 66.61 1duj s SER 42 CO 0.00 -0.92 2.18 1.21 0.41 0.00 0.00 173.24 176.12 1duj n GLU 43 N -0.24 1.75 -0.04 12.44 4.07 -1.26 -3.83 120.64 133.54 1duj n GLU 43 Ca -0.10 -1.13 0.01 0.00 -0.06 0.00 0.00 57.16 55.88 1duj n GLU 43 Cb 0.63 -2.20 0.01 0.00 -0.06 0.00 0.00 31.44 29.82 1duj n GLU 43 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1duj n THR 44 N 3.64 0.71 -0.55 6.31 -2.24 -1.26 -5.08 114.28 115.80 1duj n THR 44 Ca 0.37 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1duj n THR 44 Cb 0.28 0.59 0.12 0.00 -2.10 0.00 0.00 70.33 69.22 1duj n THR 44 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1duj n PHE 45 N -0.40 -2.25 -3.71 4.78 3.72 -1.25 -3.76 117.46 114.59 1duj n PHE 45 Ca 0.02 0.09 -0.11 0.00 -0.05 0.00 0.00 57.45 57.40 1duj n PHE 45 Cb 0.39 -1.37 -0.11 0.00 -0.94 0.00 0.00 39.48 37.45 1duj n PHE 45 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1duj s THR 46 N -2.05 -0.02 -0.23 4.37 -1.32 0.13 -4.81 115.64 111.70 1duj s THR 46 Ca 0.28 0.09 -0.23 0.00 -1.21 0.00 0.00 61.69 60.62 1duj s THR 46 Cb -0.05 -0.57 -0.01 0.00 -1.51 0.00 0.00 72.50 70.36 1duj s THR 46 CO 0.25 0.04 0.76 -0.60 -2.21 0.00 0.00 174.62 172.85 1duj s ARG 47 N 1.20 4.18 -0.06 7.08 3.00 -1.26 -1.95 118.95 131.15 1duj s ARG 47 Ca -0.08 0.82 0.03 0.00 -1.00 0.00 0.00 55.73 55.50 1duj s ARG 47 Cb -0.08 -3.63 0.01 0.00 0.00 0.00 0.00 34.95 31.25 1duj s ARG 47 CO -0.10 -0.44 -0.14 0.14 0.00 0.00 0.00 175.30 174.76 1duj s VAL 48 N 2.57 1.23 -0.37 7.11 -7.23 0.19 -4.93 120.40 118.97 1duj s VAL 48 Ca 0.33 -0.56 -0.15 0.00 -1.81 0.00 0.00 61.98 59.79 1duj s VAL 48 Cb -0.16 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.69 1duj s VAL 48 CO 0.09 0.37 0.32 -1.10 -0.31 0.00 0.00 175.10 174.46 1duj s GLN 49 N 0.44 3.30 0.22 4.82 -0.21 -1.26 0.26 119.66 127.23 1duj s GLN 49 Ca -0.11 -0.72 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 1duj s GLN 49 Cb -0.14 -3.88 0.01 0.00 1.00 0.00 0.00 33.01 30.00 1duj s GLN 49 CO 0.03 -0.62 0.35 1.63 -2.12 0.00 0.00 175.29 174.57 1duj n LYS 50 N 5.27 0.51 -1.32 2.91 4.76 0.21 -4.88 118.16 125.61 1duj n LYS 50 Ca -0.10 -1.59 -0.10 0.00 -2.87 0.00 0.00 58.31 53.65 1duj n LYS 50 Cb 0.48 1.66 -0.04 0.00 -1.84 0.00 0.00 35.03 35.29 1duj n LYS 50 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1duj n TYR 51 N -0.34 -0.57 -0.37 2.13 4.02 -1.26 0.10 117.16 120.87 1duj n TYR 51 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1duj n TYR 51 Cb 0.36 -2.16 0.00 0.00 -0.02 0.00 0.00 39.34 37.52 1duj n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1duj n GLY 52 N -0.20 1.08 0.00 2.72 0.00 -1.26 -4.33 105.19 103.20 1duj n GLY 52 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1duj n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1duj n LEU 53 N 0.00 0.00 -4.90 0.99 -0.00 0.29 -5.15 117.00 108.22 1duj n LEU 53 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1duj n LEU 53 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1duj n LEU 53 CO 0.00 0.00 0.19 -0.89 -0.00 0.00 0.00 177.39 176.69 1duj s THR 54 N -2.10 5.02 0.05 1.47 2.01 -1.26 0.64 115.64 121.46 1duj s THR 54 Ca 0.00 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 1duj s THR 54 Cb 0.00 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1duj s THR 54 CO 0.00 -0.22 0.06 -0.76 -0.69 0.00 0.00 174.62 173.01 1duj s LEU 55 N -3.27 1.99 0.11 4.42 1.43 0.71 -4.81 118.68 119.27 1duj s LEU 55 Ca 0.44 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1duj s LEU 55 Cb -0.11 0.50 -0.04 0.00 0.03 0.00 0.00 46.19 46.57 1duj s LEU 55 CO 0.27 -0.54 -0.25 -0.22 0.23 0.00 0.00 176.35 175.84 1duj s LEU 56 N -2.37 2.37 0.13 1.79 0.20 -1.26 0.55 118.68 120.09 1duj s LEU 56 Ca -0.01 -0.67 -0.12 0.00 0.69 0.00 0.00 54.13 54.01 1duj s LEU 56 Cb 0.01 -1.30 0.01 0.00 -0.43 0.00 0.00 46.19 44.48 1duj s LEU 56 CO -0.07 0.20 0.32 -0.69 -0.29 0.00 0.00 176.35 175.82 1duj s VAL 57 N -1.02 0.09 0.08 1.68 1.01 -0.82 -4.58 120.40 116.83 1duj s VAL 57 Ca 0.14 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1duj s VAL 57 Cb -0.10 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1duj s VAL 57 CO 0.06 -0.40 0.03 -0.89 0.00 0.00 0.00 175.10 173.90 1duj s THR 58 N -3.86 4.23 -0.56 3.92 2.01 -1.26 0.20 115.64 120.31 1duj s THR 58 Ca 0.07 -0.88 0.16 0.00 0.31 0.00 0.00 61.69 61.35 1duj s THR 58 Cb 0.03 -3.02 0.61 0.00 0.01 0.00 0.00 72.50 70.13 1duj s THR 58 CO -0.08 0.14 1.53 0.35 -0.69 0.00 0.00 174.62 175.86 1duj n THR 59 N 0.58 2.08 -1.53 -0.82 -2.24 -1.25 -4.94 114.28 106.16 1duj n THR 59 Ca -0.10 -1.47 -0.40 0.00 -2.27 0.00 0.00 64.05 59.81 1duj n THR 59 Cb 0.52 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1duj n THR 59 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1duj n ASP 60 N 0.33 2.01 -0.22 3.42 -0.08 -1.26 -4.78 116.55 115.96 1duj n ASP 60 Ca 0.23 -0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1duj n ASP 60 Cb 0.89 -1.40 0.23 0.00 2.34 0.00 0.00 41.12 43.18 1duj n ASP 60 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1duj h LEU 61 N 16.41 0.88 0.28 -2.67 3.38 -1.96 0.47 115.31 132.10 1duj h LEU 61 Ca -0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1duj h LEU 61 Cb 1.28 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1duj h LEU 61 CO 1.16 0.65 -0.21 -0.33 0.09 0.00 0.00 178.44 179.80 1duj h GLU 62 N 1.04 -0.45 -0.71 1.13 4.39 -1.99 2.11 114.58 120.10 1duj h GLU 62 Ca 0.28 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1duj h GLU 62 Cb -0.10 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1duj h GLU 62 CO -0.06 -0.30 0.46 1.25 -1.16 0.00 0.00 179.01 179.20 1duj h LEU 63 N -0.47 0.82 -0.32 1.33 5.85 -1.94 -1.42 115.31 119.17 1duj h LEU 63 Ca -0.04 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1duj h LEU 63 Cb 0.39 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1duj h LEU 63 CO 0.02 0.61 0.21 0.40 -0.34 0.00 0.00 178.44 179.33 1duj h ILE 64 N 0.97 1.09 -1.01 4.05 2.04 0.37 -0.39 117.51 124.62 1duj h ILE 64 Ca 0.26 -0.17 0.25 0.00 1.00 0.00 0.00 64.86 66.19 1duj h ILE 64 Cb -0.09 0.64 -0.12 0.00 -0.74 0.00 0.00 36.82 36.51 1duj h ILE 64 CO -0.05 0.08 0.61 0.50 0.00 0.00 0.00 178.15 179.29 1duj h LYS 65 N 0.42 0.55 0.33 2.37 3.64 0.46 2.64 116.57 126.98 1duj h LYS 65 Ca 0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1duj h LYS 65 Cb -0.04 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1duj h LYS 65 CO -0.02 0.36 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.44 1duj h TYR 66 N 0.56 -0.41 0.00 1.91 3.20 -0.86 -2.79 116.97 118.58 1duj h TYR 66 Ca 0.64 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.45 1duj h TYR 66 Cb 1.25 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 1duj h TYR 66 CO -0.01 -0.08 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.15 1duj h LEU 67 N -0.82 0.00 0.21 2.82 3.38 0.57 -2.77 115.31 118.71 1duj h LEU 67 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1duj h LEU 67 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1duj h LEU 67 CO 0.07 0.22 -0.10 -1.13 0.09 0.00 0.00 178.44 177.59 1duj h ASN 68 N 0.00 -0.24 -0.43 -0.43 -0.73 0.46 1.17 115.58 115.37 1duj h ASN 68 Ca -0.00 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.06 1duj h ASN 68 Cb 0.54 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 1duj h ASN 68 CO 0.03 -0.03 0.28 -1.13 -0.37 0.00 0.00 177.43 176.21 1duj h ASN 69 N -0.45 0.50 -0.49 1.15 -1.24 -1.41 -0.16 115.58 113.48 1duj h ASN 69 Ca -0.03 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 1duj h ASN 69 Cb 0.34 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1duj h ASN 69 CO 0.05 0.37 0.14 0.58 -1.29 0.00 0.00 177.43 177.28 1duj h VAL 70 N 0.59 1.23 -0.87 2.57 2.07 -1.31 -1.98 116.25 118.55 1duj h VAL 70 Ca 0.16 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.93 1duj h VAL 70 Cb -0.06 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1duj h VAL 70 CO -0.03 0.29 0.57 0.58 0.02 0.00 0.00 177.57 179.00 1duj h VAL 71 N 0.66 1.11 0.28 2.57 2.07 0.19 0.43 116.25 123.57 1duj h VAL 71 Ca 0.16 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1duj h VAL 71 Cb 0.30 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1duj h VAL 71 CO -0.00 0.19 -0.13 -0.08 0.02 0.00 0.00 177.57 177.56 1duj h GLU 72 N 1.05 -0.36 -0.59 1.57 4.57 -0.52 0.47 114.58 120.76 1duj h GLU 72 Ca 0.36 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.62 1duj h GLU 72 Cb 0.10 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 1duj h GLU 72 CO -0.12 -0.18 0.32 1.96 -1.18 0.00 0.00 179.01 179.80 1duj h GLN 73 N -0.46 0.58 -0.90 1.92 7.50 -0.65 -0.40 115.11 122.70 1duj h GLN 73 Ca -0.04 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.11 1duj h GLN 73 Cb 0.35 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 27.69 1duj h GLN 73 CO 0.06 0.38 0.58 1.25 -1.50 0.00 0.00 178.83 179.61 1duj h LEU 74 N 0.60 0.97 -2.51 1.46 5.85 0.27 2.46 115.31 124.41 1duj h LEU 74 Ca 0.26 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1duj h LEU 74 Cb 0.16 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1duj h LEU 74 CO -0.17 0.67 -0.02 0.11 -0.34 0.00 0.00 178.44 178.69 1duj h LYS 75 N 1.13 0.00 -0.07 1.25 1.57 0.16 -3.37 116.57 117.25 1duj h LYS 75 Ca 0.36 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1duj h LYS 75 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 1duj h LYS 75 CO -0.12 0.02 -0.17 -3.47 -0.57 0.00 0.00 179.45 175.14 1duj n ASP 76 N -3.50 -1.78 0.22 0.86 -0.08 0.51 -5.05 116.55 107.73 1duj n ASP 76 Ca -0.03 -2.07 -0.09 0.00 -1.51 0.00 0.00 54.79 51.09 1duj n ASP 76 Cb 0.12 1.01 -0.04 0.00 2.34 0.00 0.00 41.12 44.55 1duj n ASP 76 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1duj h TRP 77 N 3.56 -0.53 0.00 -0.67 4.06 0.39 -3.44 115.95 119.31 1duj h TRP 77 Ca -0.17 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.76 1duj h TRP 77 Cb 1.16 0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.49 1duj h TRP 77 CO -0.07 -0.33 0.00 1.47 -3.56 0.00 0.00 178.44 175.94 1duj n LEU 78 N -3.74 0.00 0.00 -4.49 -0.00 -1.26 -5.03 117.00 102.48 1duj n LEU 78 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1duj n LEU 78 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1duj n LEU 78 CO 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.56 1duj n TYR 79 N 0.00 0.00 0.00 1.47 0.18 -1.26 -4.91 117.16 112.64 1duj n TYR 79 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1duj n TYR 79 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1duj n TYR 79 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1duj n LYS 80 N 0.00 0.00 0.00 -3.48 5.02 -1.26 -5.08 118.16 113.36 1duj n LYS 80 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1duj n LYS 80 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1duj n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1duj n SER 82 N -1.84 0.00 -2.27 0.00 7.64 -1.26 -4.80 113.62 111.08 1duj n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1duj n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1duj n SER 82 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1duj n VAL 83 N 0.00-13.45 0.00 0.44 3.14 -1.26 -4.89 118.33 102.31 1duj n VAL 83 Ca 0.00 3.27 0.00 0.00 -2.96 0.00 0.00 64.34 64.65 1duj n VAL 83 Cb 0.00 -5.86 0.00 0.00 -1.06 0.00 0.00 33.84 26.92 1duj n VAL 83 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1duj n GLN 84 N 1.91 0.00 -3.84 1.45 10.64 -1.09 -4.89 117.38 121.56 1duj n GLN 84 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 1duj n GLN 84 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.25 1duj n GLN 84 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1duj s LYS 85 N 0.00 0.11 0.01 2.61 1.02 0.13 0.16 119.74 123.77 1duj s LYS 85 Ca 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 1duj s LYS 85 Cb 0.00 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 1duj s LYS 85 CO 0.00 -0.01 0.01 -0.51 -0.92 0.00 0.00 175.35 173.92 1duj s LEU 86 N 0.04 2.02 -0.09 3.17 1.43 0.02 0.31 118.68 125.59 1duj s LEU 86 Ca -0.00 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1duj s LEU 86 Cb -0.01 0.16 0.04 0.00 0.03 0.00 0.00 46.19 46.42 1duj s LEU 86 CO 0.00 -0.19 0.06 -0.69 0.23 0.00 0.00 176.35 175.76 1duj s VAL 87 N -0.86 -0.02 -0.22 -1.59 1.01 -1.02 -1.77 120.40 115.93 1duj s VAL 87 Ca -0.09 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 1duj s VAL 87 Cb -0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1duj s VAL 87 CO -0.00 0.05 0.42 -0.69 0.00 0.00 0.00 175.10 174.87 1duj s VAL 88 N 2.12 5.17 -0.29 2.92 1.01 -0.82 -1.71 120.40 128.81 1duj s VAL 88 Ca 0.04 0.72 -0.07 0.00 0.00 0.00 0.00 61.98 62.68 1duj s VAL 88 Cb -0.13 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1duj s VAL 88 CO -0.05 0.21 0.08 -0.69 0.00 0.00 0.00 175.10 174.65 1duj s VAL 89 N 1.55 3.92 -0.07 2.92 1.01 -0.52 -2.80 120.40 126.41 1duj s VAL 89 Ca 0.19 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1duj s VAL 89 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1duj s VAL 89 CO 0.08 0.08 -0.20 -0.63 0.00 0.00 0.00 175.10 174.43 1duj s ILE 90 N 1.49 1.72 0.10 2.22 1.01 -0.77 -1.85 121.20 125.12 1duj s ILE 90 Ca 0.02 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.91 1duj s ILE 90 Cb -0.17 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1duj s ILE 90 CO 0.02 0.49 -0.21 -0.94 0.00 0.00 0.00 174.94 174.30 1duj s SER 91 N 0.25 2.50 -0.38 3.58 1.04 -1.03 -2.12 113.70 117.54 1duj s SER 91 Ca -0.12 -0.68 -0.22 0.00 0.48 0.00 0.00 55.95 55.42 1duj s SER 91 Cb -0.15 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1duj s SER 91 CO 0.05 0.06 0.72 0.21 0.98 0.00 0.00 173.24 175.26 1duj s ASN 92 N -1.87 6.46 -0.02 7.02 3.84 0.71 -1.87 114.94 129.21 1duj s ASN 92 Ca 0.06 0.14 0.04 0.00 0.21 0.00 0.00 52.86 53.31 1duj s ASN 92 Cb -0.10 -2.36 0.16 0.00 -0.55 0.00 0.00 41.25 38.40 1duj s ASN 92 CO 0.04 -0.72 0.96 -0.38 -2.79 0.00 0.00 177.10 174.21 1duj n ILE 93 N 5.79 0.40 -2.70 -5.21 -0.00 0.17 -2.49 119.36 115.32 1duj n ILE 93 Ca 0.01 -0.26 -0.04 0.00 -0.00 0.00 0.00 62.75 62.46 1duj n ILE 93 Cb 0.48 -0.15 0.11 0.00 -0.00 0.00 0.00 39.64 40.08 1duj n ILE 93 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1duj n GLU 94 N 0.05 1.33 0.01 0.38 0.00 -1.24 -4.84 120.64 116.33 1duj n GLU 94 Ca 0.06 -1.90 0.00 0.00 0.00 0.00 0.00 57.16 55.32 1duj n GLU 94 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 31.44 31.59 1duj n GLU 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1duj n SER 95 N -0.96 -0.19 -2.70 4.31 2.88 -1.25 -4.95 113.62 110.75 1duj n SER 95 Ca -0.07 0.04 -0.07 0.00 -1.33 0.00 0.00 58.87 57.44 1duj n SER 95 Cb 0.85 0.59 0.11 0.00 -0.75 0.00 0.00 64.21 65.01 1duj n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1duj n GLY 96 N -1.50 1.01 7.00 0.46 0.00 -1.26 -5.11 105.19 105.79 1duj n GLY 96 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1duj n GLY 96 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1duj n GLU 97 N -0.36 0.00 -0.94 1.61 2.13 -1.04 -4.73 120.64 117.31 1duj n GLU 97 Ca -0.02 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.47 1duj n GLU 97 Cb 0.80 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.54 1duj n GLU 97 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1duj n VAL 98 N 0.00 0.00 0.00 6.31 0.31 -1.26 0.26 118.33 123.94 1duj n VAL 98 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1duj n VAL 98 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1duj n VAL 98 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1duj n LEU 99 N 2.79 0.00 -4.09 7.52 7.94 -0.90 -4.12 117.00 126.14 1duj n LEU 99 Ca 0.01 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.78 1duj n LEU 99 Cb 0.47 0.22 -0.11 0.00 0.53 0.00 0.00 43.42 44.52 1duj n LEU 99 CO 0.47 -0.31 -0.41 -0.70 -1.11 0.00 0.00 177.39 175.33 1duj s GLU 100 N -1.61 0.62 -0.27 1.96 2.12 -1.03 -5.03 118.70 115.46 1duj s GLU 100 Ca 0.00 -0.88 -0.01 0.00 0.36 0.00 0.00 54.97 54.44 1duj s GLU 100 Cb 0.00 -0.35 0.14 0.00 0.26 0.00 0.00 34.13 34.18 1duj s GLU 100 CO 0.00 0.05 0.36 0.50 -0.54 0.00 0.00 175.26 175.63 1duj s ARG 101 N -1.99 0.35 -0.62 4.30 3.52 -1.26 -1.85 118.95 121.40 1duj s ARG 101 Ca -0.05 0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.60 1duj s ARG 101 Cb -0.07 -0.52 0.13 0.00 -1.56 0.00 0.00 34.95 32.93 1duj s ARG 101 CO -0.00 -0.86 0.65 -1.58 -0.81 0.00 0.00 175.30 172.70 1duj s TRP 102 N 2.49 3.21 -0.26 5.12 0.52 -1.12 -2.36 118.94 126.52 1duj s TRP 102 Ca 0.10 -1.25 -0.13 0.00 0.02 0.00 0.00 56.10 54.84 1duj s TRP 102 Cb -0.14 -3.92 -0.04 0.00 -1.15 0.00 0.00 33.47 28.22 1duj s TRP 102 CO -0.24 -1.16 0.30 -1.14 0.02 0.00 0.00 176.95 174.73 1duj s GLN 103 N 1.92 4.01 -0.02 4.98 0.74 0.75 -1.94 119.66 130.09 1duj s GLN 103 Ca 0.10 -0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.44 1duj s GLN 103 Cb -0.24 -3.64 0.01 0.00 1.10 0.00 0.00 33.01 30.25 1duj s GLN 103 CO 0.02 -0.20 -0.04 -0.59 -0.55 0.00 0.00 175.29 173.93 1duj s PHE 104 N 1.83 0.56 0.49 1.67 -0.71 -0.73 0.80 117.98 121.89 1duj s PHE 104 Ca 0.12 -0.12 0.08 0.00 -1.04 0.00 0.00 56.93 55.98 1duj s PHE 104 Cb -0.16 -0.46 0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1duj s PHE 104 CO 0.10 -0.09 0.61 0.34 -1.34 0.00 0.00 175.22 174.83 1duj s ASP 105 N 0.44 5.23 0.24 1.98 -1.08 0.54 -0.80 116.67 123.22 1duj s ASP 105 Ca -0.05 -0.73 0.07 0.00 -0.52 0.00 0.00 52.55 51.32 1duj s ASP 105 Cb -0.09 -0.15 -0.05 0.00 -1.46 0.00 0.00 42.92 41.17 1duj s ASP 105 CO -0.00 -1.01 -0.10 -0.63 0.52 0.00 0.00 175.17 173.95 1duj s ILE 106 N -2.54 1.68 -0.21 4.11 -1.09 0.43 0.29 121.20 123.85 1duj s ILE 106 Ca 0.54 -2.17 -0.05 0.00 -2.23 0.00 0.00 60.65 56.74 1duj s ILE 106 Cb -0.06 -2.25 0.11 0.00 -1.58 0.00 0.00 42.46 38.68 1duj s ILE 106 CO 0.33 -0.45 0.40 -0.70 -1.23 0.00 0.00 174.94 173.29 1duj s GLU 107 N -3.69 0.33 -0.14 2.79 2.56 -1.26 -4.72 118.70 114.57 1duj s GLU 107 Ca 0.26 0.83 -0.13 0.00 0.00 0.00 0.00 54.97 55.93 1duj s GLU 107 Cb 0.01 0.01 -0.05 0.00 2.00 0.00 0.00 34.13 36.10 1duj s GLU 107 CO 0.09 -0.41 0.28 0.00 -0.56 0.00 0.00 175.26 174.67 1duj s ASP 109 N 0.19 2.12 -1.28 0.00 2.15 -1.26 -4.84 116.67 113.75 1duj s ASP 109 Ca 0.17 -1.26 -0.01 0.00 0.43 0.00 0.00 52.55 51.88 1duj s ASP 109 Cb -0.13 -0.04 -0.00 0.00 -0.30 0.00 0.00 42.92 42.44 1duj s ASP 109 CO 0.04 -0.51 0.72 0.29 -0.17 0.00 0.00 175.17 175.55 1duj n LYS 110 N -0.52 -4.74 -1.51 4.34 4.76 -1.26 -4.89 118.16 114.34 1duj n LYS 110 Ca -0.04 0.63 -0.35 0.00 -2.87 0.00 0.00 58.31 55.68 1duj n LYS 110 Cb 0.65 -5.19 0.09 0.00 -1.84 0.00 0.00 35.03 28.73 1duj n LYS 110 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1duj s THR 111 N -3.64 2.31 0.00 -0.18 2.01 -1.26 -4.99 115.64 109.90 1duj s THR 111 Ca 0.04 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1duj s THR 111 Cb -0.01 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.71 1duj s THR 111 CO 0.81 -0.08 0.00 0.00 -0.69 0.00 0.00 174.62 174.66 1duj n ALA 112 N -2.54 0.00 0.00 7.40 0.00 -1.26 -5.08 120.51 119.03 1duj n ALA 112 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1duj n ALA 112 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1duj n ALA 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1duj n LYS 113 N -0.55 0.00 -1.15 0.00 0.00 -1.26 -5.05 118.16 110.15 1duj n LYS 113 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 1duj n LYS 113 Cb 0.00 -0.36 0.13 0.00 0.00 0.00 0.00 35.03 34.80 1duj n LYS 113 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1duj s ASP 114 N -2.19 3.66 -1.76 3.14 1.47 -1.26 -3.30 116.67 116.43 1duj s ASP 114 Ca 0.00 1.66 -0.20 0.00 1.18 0.00 0.00 52.55 55.19 1duj s ASP 114 Cb 0.00 -2.32 0.18 0.00 -0.34 0.00 0.00 42.92 40.44 1duj s ASP 114 CO 0.00 -2.55 0.69 0.47 0.68 0.00 0.00 175.17 174.47 1duj n ASP 115 N -3.84 -2.62 0.00 2.11 8.00 -1.26 -4.87 116.55 114.07 1duj n ASP 115 Ca 0.08 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1duj n ASP 115 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 41.12 39.32 1duj n ASP 115 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1duj n SER 116 N -2.60 0.00 -1.24 -2.24 3.41 -1.21 -5.03 113.62 104.71 1duj n SER 116 Ca 0.07 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1duj n SER 116 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1duj n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1duj n ALA 117 N -0.98 -1.84 -1.21 7.33 0.00 -1.26 -4.49 120.51 118.06 1duj n ALA 117 Ca 0.00 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 1duj n ALA 117 Cb 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 1duj n ALA 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1duj n PRO 118 N -1.02 2.87 -3.54 0.00 -0.04 -1.26 -4.81 135.00 127.19 1duj n PRO 118 Ca 0.00 -2.03 -0.16 0.00 -0.04 0.00 0.00 63.50 61.27 1duj n PRO 118 Cb 0.03 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 1duj n PRO 118 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1duj s ARG 119 N 3.00 0.92 0.00 0.54 3.03 -1.26 -5.03 118.95 120.15 1duj s ARG 119 Ca 0.56 0.27 0.00 0.00 2.03 0.00 0.00 55.73 58.59 1duj s ARG 119 Cb 0.15 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.50 1duj s ARG 119 CO -0.04 -0.28 0.00 -1.91 -1.13 0.00 0.00 175.30 171.94 1duj n GLU 120 N 0.97 0.00 -1.61 3.89 2.13 -1.26 -5.09 120.64 119.67 1duj n GLU 120 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1duj n GLU 120 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1duj n GLU 120 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1duj n LYS 121 N 0.00 -2.45 -1.60 5.31 3.00 -1.26 -4.87 118.16 116.29 1duj n LYS 121 Ca 0.00 2.04 -0.43 0.00 -0.00 0.00 0.00 58.31 59.92 1duj n LYS 121 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 35.03 32.57 1duj n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1duj n SER 122 N 0.86 1.26 -4.78 3.14 3.41 -1.26 -4.86 113.62 111.40 1duj n SER 122 Ca 0.00 1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 59.31 1duj n SER 122 Cb 0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 1duj n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1duj n GLN 123 N 0.49 2.65 -0.32 4.33 1.13 -1.26 -4.83 117.38 119.57 1duj n GLN 123 Ca 0.09 0.93 0.18 0.00 -1.94 0.00 0.00 57.00 56.27 1duj n GLN 123 Cb 0.35 -2.68 0.39 0.00 0.11 0.00 0.00 30.24 28.41 1duj n GLN 123 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1duj h LYS 124 N 2.90 0.35 -0.50 -1.09 3.11 -2.01 1.08 116.57 120.41 1duj h LYS 124 Ca -0.51 -0.02 0.13 0.00 -2.81 0.00 0.00 60.65 57.44 1duj h LYS 124 Cb 1.24 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.37 1duj h LYS 124 CO 0.64 0.23 0.35 0.00 -2.81 0.00 0.00 179.45 177.86 1duj h ALA 125 N 1.79 2.36 -0.33 5.00 0.00 -1.99 -0.55 119.26 125.54 1duj h ALA 125 Ca 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 1duj h ALA 125 Cb 1.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1duj h ALA 125 CO -0.58 -0.49 0.17 0.82 0.00 0.00 0.00 179.25 179.17 1duj h ILE 126 N 0.08 1.15 0.16 0.00 1.08 0.90 2.18 117.51 123.06 1duj h ILE 126 Ca 0.24 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1duj h ILE 126 Cb 0.83 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1duj h ILE 126 CO -0.02 0.15 -0.09 -0.61 -0.69 0.00 0.00 178.15 176.89 1duj h GLN 127 N 0.40 -0.23 -0.23 2.37 4.15 -1.11 0.86 115.11 121.32 1duj h GLN 127 Ca 0.11 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1duj h GLN 127 Cb 0.09 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1duj h GLN 127 CO -0.02 -0.15 -0.11 0.22 -1.93 0.00 0.00 178.83 176.84 1duj h ASP 128 N -0.24 0.49 0.10 -0.69 3.58 -1.19 0.55 116.42 119.02 1duj h ASP 128 Ca -0.02 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1duj h ASP 128 Cb 0.20 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1duj h ASP 128 CO 0.02 0.79 -0.05 -0.08 -2.88 0.00 0.00 179.24 177.04 1duj h GLU 129 N 0.19 -0.13 -0.41 0.28 4.81 0.38 0.67 114.58 120.36 1duj h GLU 129 Ca 0.05 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1duj h GLU 129 Cb 0.60 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1duj h GLU 129 CO 0.03 0.12 -0.21 0.97 -0.73 0.00 0.00 179.01 179.20 1duj h ILE 130 N -0.38 1.27 -0.55 2.32 -0.00 0.72 -2.11 117.51 118.77 1duj h ILE 130 Ca -0.01 -1.32 -0.10 0.00 -0.00 0.00 0.00 64.86 63.42 1duj h ILE 130 Cb 0.32 1.17 -0.02 0.00 -0.00 0.00 0.00 36.82 38.29 1duj h ILE 130 CO 0.02 0.45 -0.05 -0.09 -0.00 0.00 0.00 178.15 178.48 1duj h ARG 131 N 0.71 0.99 0.00 2.19 2.43 0.20 -2.48 114.38 118.42 1duj h ARG 131 Ca 0.10 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 1duj h ARG 131 Cb 0.73 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1duj h ARG 131 CO 0.06 1.00 -0.34 1.03 -1.51 0.00 0.00 179.97 180.21 1duj h SER 132 N 0.90 0.00 0.38 -3.80 0.87 -0.67 -1.22 113.55 110.00 1duj h SER 132 Ca 0.15 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1duj h SER 132 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1duj h SER 132 CO 0.04 0.34 -0.18 0.58 -0.53 0.00 0.00 176.83 177.08 1duj h VAL 133 N 0.00 0.00 -0.67 2.23 2.07 -0.94 -1.31 116.25 117.62 1duj h VAL 133 Ca -0.00 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 67.47 1duj h VAL 133 Cb 0.63 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1duj h VAL 133 CO 0.04 0.00 0.48 0.40 0.02 0.00 0.00 177.57 178.51 1duj h ILE 134 N -0.73 0.70 -0.21 4.57 2.04 -1.50 -0.53 117.51 121.86 1duj h ILE 134 Ca -0.05 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1duj h ILE 134 Cb 0.39 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1duj h ILE 134 CO 0.09 0.02 -0.04 -0.09 0.00 0.00 0.00 178.15 178.12 1duj h ARG 135 N 0.10 0.39 -0.20 2.37 9.65 -1.10 -1.08 114.38 124.51 1duj h ARG 135 Ca 0.32 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1duj h ARG 135 Cb 1.15 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 1duj h ARG 135 CO -0.03 0.63 -0.28 -0.56 2.80 0.00 0.00 179.97 182.52 1duj h GLN 136 N 0.12 0.38 0.36 0.20 3.07 0.08 0.40 115.11 119.72 1duj h GLN 136 Ca 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 1duj h GLN 136 Cb 0.48 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.02 1duj h GLN 136 CO 0.02 0.63 -0.17 0.82 0.09 0.00 0.00 178.83 180.22 1duj h ILE 137 N 0.33 0.51 0.00 1.86 2.04 -1.22 -2.81 117.51 118.23 1duj h ILE 137 Ca 0.05 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 1duj h ILE 137 Cb 0.67 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1duj h ILE 137 CO 0.05 0.10 -0.24 0.74 0.00 0.00 0.00 178.15 178.80 1duj h THR 138 N -0.92 0.87 0.33 -0.27 2.02 -1.17 -2.59 112.91 111.19 1duj h THR 138 Ca -0.05 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 1duj h THR 138 Cb 0.53 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1duj h THR 138 CO 0.08 0.24 -0.16 0.00 0.37 0.00 0.00 175.52 176.05 1duj h ALA 139 N 1.76 -0.45 -0.95 6.16 0.00 -0.17 -2.79 119.26 122.81 1duj h ALA 139 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1duj h ALA 139 Cb 0.54 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1duj h ALA 139 CO 0.03 -0.67 0.58 1.15 0.00 0.00 0.00 179.25 180.34 1duj h THR 140 N -0.61 1.26 -0.10 0.00 2.02 -1.41 -2.75 112.91 111.31 1duj h THR 140 Ca -0.05 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.59 1duj h THR 140 Cb 0.44 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1duj h THR 140 CO 0.08 0.27 -0.18 0.58 0.37 0.00 0.00 175.52 176.63 1duj h VAL 141 N 1.31 0.00 -0.79 3.16 2.07 -1.25 1.48 116.25 122.23 1duj h VAL 141 Ca 0.34 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.05 1duj h VAL 141 Cb -0.07 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.57 1duj h VAL 141 CO -0.06 0.00 0.10 0.71 0.02 0.00 0.00 177.57 178.33 1duj h THR 142 N -0.15 0.36 0.00 2.57 1.35 -1.41 1.69 112.91 117.31 1duj h THR 142 Ca 0.02 -0.05 -0.02 0.00 -0.55 0.00 0.00 66.41 65.81 1duj h THR 142 Cb 0.21 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 66.81 1duj h THR 142 CO -0.18 0.03 -0.09 0.15 -0.25 0.00 0.00 175.52 175.17 1duj h PHE 143 N 0.16 0.00 -3.84 4.73 3.04 -0.59 -3.43 116.94 117.01 1duj h PHE 143 Ca 0.45 0.00 -0.52 0.00 3.98 0.00 0.00 57.97 61.88 1duj h PHE 143 Cb 0.83 0.00 0.06 0.00 2.56 0.00 0.00 35.95 39.41 1duj h PHE 143 CO -0.36 0.09 0.64 -1.17 -2.02 0.00 0.00 178.31 175.50 1duj s LEU 144 N -7.74 4.43 -0.30 0.59 2.96 0.57 -4.86 118.68 114.33 1duj s LEU 144 Ca -0.04 2.67 -0.05 0.00 -0.22 0.00 0.00 54.13 56.49 1duj s LEU 144 Cb 0.14 -3.65 -0.18 0.00 0.50 0.00 0.00 46.19 43.01 1duj s LEU 144 CO 0.60 -0.53 2.86 -0.81 -1.32 0.00 0.00 176.35 177.15 1duj n PRO 145 N 0.94 1.88 -3.44 0.98 -0.04 -1.26 -4.75 135.00 129.31 1duj n PRO 145 Ca 0.00 -1.03 -0.38 0.00 -0.04 0.00 0.00 63.50 62.06 1duj n PRO 145 Cb 0.42 -2.06 0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1duj n PRO 145 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1duj n LEU 146 N 2.91 -2.33 -4.64 1.53 7.94 -1.26 -4.98 117.00 116.16 1duj n LEU 146 Ca 0.40 -0.21 -0.29 0.00 -1.11 0.00 0.00 56.01 54.80 1duj n LEU 146 Cb 0.60 -1.53 -0.08 0.00 0.53 0.00 0.00 43.42 42.94 1duj n LEU 146 CO 0.30 0.03 -0.23 -0.22 -1.11 0.00 0.00 177.39 176.16 1duj s LEU 147 N -2.50 2.17 0.00 -1.96 2.96 -1.26 -5.04 118.68 113.05 1duj s LEU 147 Ca 0.35 -1.65 0.00 0.00 -0.22 0.00 0.00 54.13 52.61 1duj s LEU 147 Cb -0.04 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.20 1duj s LEU 147 CO 0.85 -0.88 0.00 1.21 -1.32 0.00 0.00 176.35 176.21 1duj n GLU 148 N -1.09 0.00 -0.09 1.98 4.07 -1.26 -5.02 120.64 119.22 1duj n GLU 148 Ca -0.13 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 56.99 1duj n GLU 148 Cb 0.66 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 32.04 1duj n GLU 148 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1duj n VAL 149 N -2.75 0.00 -3.30 6.31 0.24 -1.26 -4.61 118.33 112.96 1duj n VAL 149 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 1duj n VAL 149 Cb 0.00 -0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.28 1duj n VAL 149 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1duj s SER 150 N -3.28 6.97 0.33 -1.34 0.15 -1.26 -3.46 113.70 111.81 1duj s SER 150 Ca 0.00 1.20 -0.06 0.00 0.70 0.00 0.00 55.95 57.79 1duj s SER 150 Cb 0.00 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1duj s SER 150 CO 0.00 0.19 0.53 0.00 1.20 0.00 0.00 173.24 175.16 1duj s SER 152 N -2.91 3.70 -0.04 0.00 0.15 -0.78 0.26 113.70 114.08 1duj s SER 152 Ca 0.22 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 56.24 1duj s SER 152 Cb -0.02 -0.44 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 1duj s SER 152 CO 0.16 0.17 -0.02 0.12 1.20 0.00 0.00 173.24 174.87 1duj s PHE 153 N -1.15 0.52 -0.02 3.44 5.36 0.81 -2.46 117.98 124.49 1duj s PHE 153 Ca 0.17 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 1duj s PHE 153 Cb -0.10 -0.54 0.02 0.00 -0.34 0.00 0.00 43.02 42.06 1duj s PHE 153 CO 0.09 -0.16 0.02 0.34 -1.46 0.00 0.00 175.22 174.04 1duj s ASP 154 N 1.01 0.13 -0.18 6.13 -1.08 -0.77 0.25 116.67 122.15 1duj s ASP 154 Ca -0.10 0.02 -0.07 0.00 -0.52 0.00 0.00 52.55 51.88 1duj s ASP 154 Cb -0.14 -0.08 -0.04 0.00 -1.46 0.00 0.00 42.92 41.20 1duj s ASP 154 CO -0.01 -0.09 0.05 -0.22 0.52 0.00 0.00 175.17 175.41 1duj s LEU 155 N 0.81 3.72 0.11 -1.34 2.96 0.27 -1.44 118.68 123.77 1duj s LEU 155 Ca -0.07 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 1duj s LEU 155 Cb -0.10 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1duj s LEU 155 CO -0.02 0.17 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.31 1duj s LEU 156 N 0.39 3.00 -0.31 -0.68 1.43 -0.69 0.27 118.68 122.08 1duj s LEU 156 Ca 0.02 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1duj s LEU 156 Cb -0.13 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.39 1duj s LEU 156 CO 0.01 0.18 0.07 -0.63 0.23 0.00 0.00 176.35 176.20 1duj s ILE 157 N -1.21 1.44 -0.09 -0.59 1.01 0.18 -2.43 121.20 119.50 1duj s ILE 157 Ca 0.21 -1.72 -0.20 0.00 0.00 0.00 0.00 60.65 58.94 1duj s ILE 157 Cb -0.11 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1duj s ILE 157 CO 0.13 -0.59 0.57 -0.31 0.00 0.00 0.00 174.94 174.74 1duj s TYR 158 N 1.34 3.55 0.47 3.97 1.51 0.92 0.90 117.35 130.01 1duj s TYR 158 Ca 0.09 1.05 0.01 0.00 -1.01 0.00 0.00 57.07 57.21 1duj s TYR 158 Cb -0.18 -2.65 0.01 0.00 -0.11 0.00 0.00 41.96 39.03 1duj s TYR 158 CO -0.17 0.15 0.08 0.25 -1.11 0.00 0.00 175.55 174.75 1duj n THR 159 N 3.65 0.00 -3.51 -0.71 -2.24 -0.52 0.18 114.28 111.13 1duj n THR 159 Ca -0.05 -2.14 -0.27 0.00 -2.27 0.00 0.00 64.05 59.33 1duj n THR 159 Cb 0.51 0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.98 1duj n THR 159 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1duj n ASP 160 N -1.40 2.48 -3.90 3.42 -0.08 -1.24 -0.45 116.55 115.37 1duj n ASP 160 Ca -0.15 -3.13 -0.26 0.00 -1.51 0.00 0.00 54.79 49.73 1duj n ASP 160 Cb 0.58 -0.68 -0.01 0.00 2.34 0.00 0.00 41.12 43.36 1duj n ASP 160 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1duj n LYS 161 N 1.47 -3.02 -0.70 -0.67 4.81 -0.34 -4.60 118.16 115.10 1duj n LYS 161 Ca 0.26 0.41 -0.01 0.00 -0.87 0.00 0.00 58.31 58.10 1duj n LYS 161 Cb 0.42 -4.46 -0.01 0.00 0.02 0.00 0.00 35.03 31.00 1duj n LYS 161 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1duj n ASP 162 N -2.93 -0.14 -3.19 3.14 -0.08 -1.26 -5.02 116.55 107.06 1duj n ASP 162 Ca -0.28 -1.51 0.04 0.00 -1.51 0.00 0.00 54.79 51.53 1duj n ASP 162 Cb 0.67 0.01 -0.01 0.00 2.34 0.00 0.00 41.12 44.12 1duj n ASP 162 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1duj s LEU 163 N 0.00 -1.37 -0.60 -2.67 2.96 -1.26 -4.54 118.68 111.20 1duj s LEU 163 Ca 0.03 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 54.89 1duj s LEU 163 Cb 0.03 2.17 0.39 0.00 0.50 0.00 0.00 46.19 49.28 1duj s LEU 163 CO -0.01 -0.26 1.39 0.52 -1.32 0.00 0.00 176.35 176.67 1duj n VAL 164 N 5.43 2.97 -1.34 1.68 0.31 -1.26 -5.00 118.33 121.12 1duj n VAL 164 Ca -0.02 -4.87 -0.56 0.00 -0.01 0.00 0.00 64.34 58.89 1duj n VAL 164 Cb 0.51 -1.29 -0.10 0.00 -0.91 0.00 0.00 33.84 32.05 1duj n VAL 164 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1duj n VAL 165 N -0.46 0.09 -0.55 2.52 0.31 -1.26 -4.91 118.33 114.08 1duj n VAL 165 Ca 0.43 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1duj n VAL 165 Cb 0.49 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1duj n VAL 165 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1duj n PRO 166 N 7.83 -0.17 0.18 5.55 -0.04 -1.26 -4.81 135.00 142.28 1duj n PRO 166 Ca 0.49 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1duj n PRO 166 Cb 0.09 0.00 0.50 0.00 -0.04 0.00 0.00 33.50 34.04 1duj n PRO 166 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1duj h GLU 167 N 0.00 0.00 -1.39 0.54 4.81 -1.97 -2.99 114.58 113.58 1duj h GLU 167 Ca 0.00 0.00 0.40 0.00 -0.13 0.00 0.00 59.36 59.63 1duj h GLU 167 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1duj h GLU 167 CO 0.00 0.00 1.22 1.17 -0.73 0.00 0.00 179.01 180.67 1duj n LYS 168 N -2.21 0.01 -0.00 1.92 0.00 -1.26 -1.74 118.16 114.88 1duj n LYS 168 Ca -0.01 0.96 -0.00 0.00 0.00 0.00 0.00 58.31 59.26 1duj n LYS 168 Cb 0.20 -2.31 -0.00 0.00 0.00 0.00 0.00 35.03 32.92 1duj n LYS 168 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 1duj h TRP 169 N 0.00 0.00 0.00 5.64 7.01 -1.86 -3.49 115.95 123.25 1duj h TRP 169 Ca 0.66 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.66 1duj h TRP 169 Cb 3.09 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 30.15 1duj h TRP 169 CO 0.00 0.00 0.00 -1.91 -2.79 0.00 0.00 178.44 173.74 1duj n GLU 170 N -2.22 0.00 -0.27 2.65 2.13 -0.71 -4.77 120.64 117.45 1duj n GLU 170 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1duj n GLU 170 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1duj n GLU 170 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1duj n GLU 171 N 0.00 0.00 0.00 5.31 2.13 -1.26 -4.28 120.64 122.54 1duj n GLU 171 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1duj n GLU 171 Cb 0.00 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.32 1duj n GLU 171 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1duj n SER 172 N 0.00 0.00 -0.84 4.31 3.41 -1.26 -5.04 113.62 114.19 1duj n SER 172 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1duj n SER 172 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1duj n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1duj n GLY 173 N 0.00 -2.60 3.69 5.00 0.00 -1.21 -4.12 105.19 105.95 1duj n GLY 173 Ca 0.00 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 1duj n GLY 173 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1duj s PRO 174 N -3.08 0.51 -0.41 1.61 0.04 -1.26 -4.69 135.00 127.71 1duj s PRO 174 Ca 0.00 0.46 0.05 0.00 0.04 0.00 0.00 61.00 61.55 1duj s PRO 174 Cb 0.00 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.96 1duj s PRO 174 CO 0.00 -2.67 0.47 -1.14 0.04 0.00 0.00 177.00 173.70 1duj s GLN 175 N -5.02 0.81 0.44 4.56 0.74 -1.26 -2.01 119.66 117.92 1duj s GLN 175 Ca 0.65 -1.10 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 1duj s GLN 175 Cb -0.18 -0.64 -0.03 0.00 1.10 0.00 0.00 33.01 33.26 1duj s GLN 175 CO 0.57 -1.26 0.72 0.12 -0.55 0.00 0.00 175.29 174.88 1duj s PHE 176 N 1.07 3.53 0.15 1.67 5.36 0.30 -4.86 117.98 125.20 1duj s PHE 176 Ca 0.23 0.65 -0.00 0.00 -0.96 0.00 0.00 56.93 56.85 1duj s PHE 176 Cb -0.07 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.37 1duj s PHE 176 CO -0.07 -0.18 0.06 0.42 -1.46 0.00 0.00 175.22 173.99 1duj s ILE 177 N -2.62 0.21 0.18 3.12 -1.09 -1.26 0.27 121.20 120.02 1duj s ILE 177 Ca 0.45 -1.94 -0.07 0.00 -2.23 0.00 0.00 60.65 56.87 1duj s ILE 177 Cb -0.10 -2.14 -0.02 0.00 -1.58 0.00 0.00 42.46 38.62 1duj s ILE 177 CO 0.42 -0.39 0.25 0.42 -1.23 0.00 0.00 174.94 174.41 1duj s THR 178 N -3.98 0.04 -0.00 2.92 -4.23 0.23 -4.86 115.64 105.76 1duj s THR 178 Ca 0.26 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1duj s THR 178 Cb 0.07 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1duj s THR 178 CO 0.04 -0.19 0.12 -3.20 -0.54 0.00 0.00 174.62 170.84 1duj n ASN 179 N -0.24 -0.04 -4.85 3.99 2.85 -1.26 -4.10 115.26 111.61 1duj n ASN 179 Ca -0.04 -0.23 -0.37 0.00 -0.11 0.00 0.00 54.58 53.83 1duj n ASN 179 Cb 0.64 0.01 -0.06 0.00 1.24 0.00 0.00 39.78 41.61 1duj n ASN 179 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1duj s SER 180 N -0.04 6.69 -0.46 1.20 0.15 -1.26 -4.95 113.70 115.04 1duj s SER 180 Ca 0.00 0.83 -0.03 0.00 0.70 0.00 0.00 55.95 57.45 1duj s SER 180 Cb 0.00 -2.20 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 1duj s SER 180 CO -0.00 0.31 1.76 -0.62 1.20 0.00 0.00 173.24 175.89 1duj n GLU 181 N 1.66 1.27 0.00 5.44 -0.58 -1.26 -1.98 120.64 125.19 1duj n GLU 181 Ca -0.14 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.65 1duj n GLU 181 Cb 0.53 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 1duj n GLU 181 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1duj n GLU 182 N 3.97 0.00 0.00 3.49 2.13 -1.26 -4.93 120.64 124.04 1duj n GLU 182 Ca 0.27 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.24 1duj n GLU 182 Cb 0.17 0.00 0.71 0.00 0.27 0.00 0.00 31.44 32.59 1duj n GLU 182 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1duj n VAL 183 N 0.00 0.00 -0.50 6.31 0.31 -0.84 -4.98 118.33 118.64 1duj n VAL 183 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1duj n VAL 183 Cb 0.00 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1duj n VAL 183 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1duj n ARG 184 N -0.72 0.00 0.00 5.55 1.74 -1.22 -4.42 116.66 117.59 1duj n ARG 184 Ca 0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1duj n ARG 184 Cb 0.24 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.68 1duj n ARG 184 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1duj n LEU 185 N 0.00 0.00 0.00 0.55 7.94 -1.22 -4.44 117.00 119.82 1duj n LEU 185 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1duj n LEU 185 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1duj n LEU 185 CO 0.00 -0.26 0.00 -1.14 -1.11 0.00 0.00 177.39 174.88 1duj n ARG 186 N -0.30 0.00 -3.73 1.96 3.00 0.72 -1.98 116.66 116.34 1duj n ARG 186 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1duj n ARG 186 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 1duj n ARG 186 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1duj s SER 187 N 0.00 -0.43 -0.04 6.15 1.04 -0.96 -0.60 113.70 118.86 1duj s SER 187 Ca 0.00 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.25 1duj s SER 187 Cb 0.00 0.76 0.01 0.00 0.10 0.00 0.00 66.02 66.89 1duj s SER 187 CO 0.00 -0.15 -0.09 0.12 0.98 0.00 0.00 173.24 174.10 1duj s PHE 188 N 0.62 1.02 0.30 5.02 2.19 0.77 0.28 117.98 128.18 1duj s PHE 188 Ca -0.03 -0.29 -0.09 0.00 0.33 0.00 0.00 56.93 56.84 1duj s PHE 188 Cb -0.05 -0.76 0.00 0.00 -1.31 0.00 0.00 43.02 40.91 1duj s PHE 188 CO -0.04 -0.15 0.51 0.95 1.83 0.00 0.00 175.22 178.32 1duj s THR 189 N 0.39 0.00 -0.16 0.12 -4.23 0.69 0.11 115.64 112.56 1duj s THR 189 Ca -0.07 -1.43 -0.07 0.00 -1.18 0.00 0.00 61.69 58.94 1duj s THR 189 Cb -0.11 -2.45 0.07 0.00 1.34 0.00 0.00 72.50 71.35 1duj s THR 189 CO 0.01 0.00 0.37 -0.89 -0.54 0.00 0.00 174.62 173.57 1duj s THR 190 N -3.47 -0.29 0.07 3.99 2.01 -0.85 0.94 115.64 118.04 1duj s THR 190 Ca 0.25 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.48 1duj s THR 190 Cb -0.01 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 1duj s THR 190 CO 0.13 0.07 -0.20 0.42 -0.69 0.00 0.00 174.62 174.35 1duj s THR 191 N 1.95 1.61 -0.46 -0.82 -4.23 0.76 -3.32 115.64 111.11 1duj s THR 191 Ca -0.05 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 59.00 1duj s THR 191 Cb -0.10 -1.44 0.10 0.00 1.34 0.00 0.00 72.50 72.39 1duj s THR 191 CO -0.12 0.04 0.34 -0.63 -0.54 0.00 0.00 174.62 173.72 1duj s ILE 192 N -1.00 4.56 0.14 2.99 1.01 -1.26 0.47 121.20 128.11 1duj s ILE 192 Ca 0.06 -1.46 -0.15 0.00 0.00 0.00 0.00 60.65 59.10 1duj s ILE 192 Cb -0.09 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 1duj s ILE 192 CO 0.03 -0.65 0.57 -1.00 0.00 0.00 0.00 174.94 173.89 1duj s HIS 193 N 1.47 3.64 -0.10 3.97 3.76 0.26 -4.84 115.29 123.45 1duj s HIS 193 Ca 0.04 1.12 -0.04 0.00 -0.15 0.00 0.00 55.06 56.03 1duj s HIS 193 Cb -0.25 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 1duj s HIS 193 CO 0.02 0.45 0.07 0.21 -0.85 0.00 0.00 174.74 174.64 1duj s LYS 194 N -1.82 3.20 0.10 1.40 2.20 -1.26 -1.44 119.74 122.11 1duj s LYS 194 Ca 0.37 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.73 1duj s LYS 194 Cb -0.16 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1duj s LYS 194 CO 0.19 0.74 -0.09 0.08 -0.36 0.00 0.00 175.35 175.91 1duj s VAL 195 N -0.96 0.83 -0.27 4.02 1.01 0.40 -4.76 120.40 120.67 1duj s VAL 195 Ca 0.14 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.43 1duj s VAL 195 Cb -0.12 -1.42 0.07 0.00 0.00 0.00 0.00 36.38 34.92 1duj s VAL 195 CO 0.03 -0.66 -0.03 0.21 0.00 0.00 0.00 175.10 174.66 1duj s ASN 196 N -2.60 4.22 0.00 3.32 3.04 -1.26 -1.20 114.94 120.46 1duj s ASN 196 Ca 0.07 -1.50 0.00 0.00 0.04 0.00 0.00 52.86 51.46 1duj s ASN 196 Cb -0.01 -1.34 0.00 0.00 -1.54 0.00 0.00 41.25 38.37 1duj s ASN 196 CO -0.01 -0.28 0.00 -1.20 -3.04 0.00 0.00 177.10 172.57