#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua n ARG 3 N 0.00 0.64 -0.12 0.00 5.12 -1.17 -4.51 116.66 116.62 2uua n ARG 3 Ca 0.00 0.06 -0.24 0.00 -1.93 0.00 0.00 57.85 55.74 2uua n ARG 3 Cb 0.00 -2.46 -0.11 0.00 -1.16 0.00 0.00 32.46 28.72 2uua n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2uua n ILE 4 N 7.60 1.54 -4.52 0.55 2.08 -0.98 -4.92 119.36 120.71 2uua n ILE 4 Ca 0.49 -0.44 -0.29 0.00 0.56 0.00 0.00 62.75 63.07 2uua n ILE 4 Cb 0.27 -1.72 -0.08 0.00 -0.75 0.00 0.00 39.64 37.35 2uua n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2uua s ALA 5 N -2.50 3.68 -0.69 -1.39 0.00 -1.26 -4.56 121.76 115.04 2uua s ALA 5 Ca -0.35 -1.50 -0.20 0.00 0.00 0.00 0.00 51.96 49.91 2uua s ALA 5 Cb 0.11 -0.05 -0.16 0.00 0.00 0.00 0.00 23.12 23.01 2uua s ALA 5 CO 0.57 -0.12 1.82 0.41 0.00 0.00 0.00 175.76 178.44 2uua n GLY 6 N -1.19 -0.34 2.23 0.00 0.00 -1.26 0.16 105.19 104.79 2uua n GLY 6 Ca -0.09 0.70 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 2uua n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2uua n VAL 7 N 5.02 0.00 -2.50 1.61 0.24 -1.26 -4.92 118.33 116.53 2uua n VAL 7 Ca 0.46 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.39 2uua n VAL 7 Cb 0.03 -0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 31.51 2uua n VAL 7 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2uua s GLU 8 N -2.10 4.22 -0.44 7.34 0.41 0.43 -4.93 118.70 123.63 2uua s GLU 8 Ca 0.00 1.60 0.06 0.00 -0.41 0.00 0.00 54.97 56.23 2uua s GLU 8 Cb 0.00 -2.66 0.21 0.00 -1.78 0.00 0.00 34.13 29.90 2uua s GLU 8 CO 0.00 -0.11 0.57 0.44 -0.49 0.00 0.00 175.26 175.67 2uua n ILE 9 N 0.15 -0.62 -1.37 -1.63 -6.64 -1.26 -2.32 119.36 105.67 2uua n ILE 9 Ca 0.04 -2.88 -0.30 0.00 -1.77 0.00 0.00 62.75 57.84 2uua n ILE 9 Cb 0.48 -0.75 0.12 0.00 -1.44 0.00 0.00 39.64 38.06 2uua n ILE 9 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2uua s PRO 10 N -0.13 1.51 0.04 6.28 0.04 -1.26 -4.83 135.00 136.66 2uua s PRO 10 Ca 0.33 0.67 -0.28 0.00 0.04 0.00 0.00 61.00 61.76 2uua s PRO 10 Cb 0.11 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.90 2uua s PRO 10 CO -0.15 -2.03 1.07 0.50 0.04 0.00 0.00 177.00 176.43 2uua s ARG 11 N -5.06 0.81 -0.12 4.56 6.06 -1.26 -3.76 118.95 120.18 2uua s ARG 11 Ca 0.63 -0.42 0.00 0.00 -2.50 0.00 0.00 55.73 53.44 2uua s ARG 11 Cb -0.16 0.30 0.00 0.00 0.06 0.00 0.00 34.95 35.15 2uua s ARG 11 CO 0.56 -0.37 0.00 -1.71 -2.50 0.00 0.00 175.30 171.28 2uua n ASN 12 N -0.40 -0.88 -4.22 -2.12 2.85 -1.26 -4.86 115.26 104.38 2uua n ASN 12 Ca -0.07 0.27 -0.12 0.00 -0.11 0.00 0.00 54.58 54.55 2uua n ASN 12 Cb 0.61 -1.03 -0.10 0.00 1.24 0.00 0.00 39.78 40.50 2uua n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2uua s LYS 13 N -3.71 1.09 0.31 1.20 1.02 -1.26 -4.87 119.74 113.51 2uua s LYS 13 Ca 0.00 -1.54 -0.29 0.00 0.02 0.00 0.00 55.97 54.16 2uua s LYS 13 Cb 0.00 -0.06 -0.12 0.00 -0.52 0.00 0.00 37.83 37.13 2uua s LYS 13 CO 0.00 -0.21 1.40 0.54 -0.92 0.00 0.00 175.35 176.16 2uua n ARG 14 N -0.22 2.27 -0.26 1.68 1.74 -1.26 -0.90 116.66 119.71 2uua n ARG 14 Ca -0.05 0.80 0.11 0.00 -0.77 0.00 0.00 57.85 57.94 2uua n ARG 14 Cb 0.64 -2.46 0.37 0.00 -1.02 0.00 0.00 32.46 29.99 2uua n ARG 14 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2uua h VAL 15 N 2.88 0.87 0.60 1.55 2.07 -0.94 0.63 116.25 123.90 2uua h VAL 15 Ca -0.47 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 2uua h VAL 15 Cb 1.27 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2uua h VAL 15 CO 0.69 0.13 -0.29 -2.24 0.02 0.00 0.00 177.57 175.89 2uua h ASP 16 N 0.72 -0.68 -0.60 0.57 3.04 -1.88 0.38 116.42 117.98 2uua h ASP 16 Ca 0.43 0.02 0.08 0.00 -3.24 0.00 0.00 57.03 54.32 2uua h ASP 16 Cb 0.64 0.18 -0.10 0.00 -1.04 0.00 0.00 39.33 39.00 2uua h ASP 16 CO -0.19 -0.44 -0.48 0.58 -2.04 0.00 0.00 179.24 176.67 2uua h VAL 17 N -0.90 0.05 -0.21 4.15 2.07 -1.77 -1.31 116.25 118.33 2uua h VAL 17 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2uua h VAL 17 Cb 0.61 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2uua h VAL 17 CO 0.13 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 177.25 2uua h ALA 18 N 0.46 -0.67 -1.31 1.67 0.00 0.29 -0.14 119.26 119.56 2uua h ALA 18 Ca 0.16 -0.01 0.44 0.00 0.00 0.00 0.00 54.91 55.50 2uua h ALA 18 Cb 0.56 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 19.13 2uua h ALA 18 CO -0.70 -0.98 0.84 -0.07 0.00 0.00 0.00 179.25 178.34 2uua h LEU 19 N -0.48 0.24 -0.69 0.00 3.38 0.92 0.94 115.31 119.62 2uua h LEU 19 Ca 0.07 0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.33 2uua h LEU 19 Cb 0.64 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 2uua h LEU 19 CO -0.46 -0.20 0.15 0.74 0.09 0.00 0.00 178.44 178.75 2uua h THR 20 N 0.07 0.55 0.00 0.22 2.02 -0.51 -1.48 112.91 113.79 2uua h THR 20 Ca 0.83 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.92 2uua h THR 20 Cb 2.58 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2uua h THR 20 CO -0.45 0.05 0.00 -1.22 0.37 0.00 0.00 175.52 174.27 2uua n TYR 21 N -5.16 0.00 -3.44 3.16 4.02 0.32 -4.44 117.16 111.63 2uua n TYR 21 Ca 0.12 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.65 2uua n TYR 21 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.67 2uua n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2uua s ILE 22 N -1.52 4.94 0.00 -0.72 1.01 -0.56 -4.94 121.20 119.41 2uua s ILE 22 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2uua s ILE 22 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2uua s ILE 22 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 174.94 175.27 2uua n TYR 23 N 1.06 0.00 0.00 3.97 9.36 -1.26 -2.55 117.16 127.74 2uua n TYR 23 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 2uua n TYR 23 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2uua n TYR 23 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2uua n GLY 24 N 0.00 0.00 3.22 2.98 0.00 -1.26 -4.63 105.19 105.50 2uua n GLY 24 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2uua n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uua s ILE 25 N -0.70 2.20 0.48 -0.61 1.01 -1.06 -4.97 121.20 117.56 2uua s ILE 25 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.72 2uua s ILE 25 Cb 0.00 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2uua s ILE 25 CO 0.00 0.55 0.02 -0.83 0.00 0.00 0.00 174.94 174.68 2uua s GLY 26 N 0.51 2.89 0.62 6.18 0.00 -1.26 -4.51 107.32 111.74 2uua s GLY 26 Ca -0.14 -0.77 0.26 0.00 0.00 0.00 0.00 44.72 44.08 2uua s GLY 26 CO 0.05 -2.13 1.74 1.70 0.00 0.00 0.00 173.10 174.46 2uua h LYS 27 N 1.48 0.00 0.01 2.90 3.64 -1.95 -1.18 116.57 121.48 2uua h LYS 27 Ca -0.43 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2uua h LYS 27 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2uua h LYS 27 CO 0.73 0.00 -0.01 0.00 -2.27 0.00 0.00 179.45 177.90 2uua h ALA 28 N 1.17 -0.12 -1.06 5.00 0.00 -1.99 -3.07 119.26 119.18 2uua h ALA 28 Ca 0.18 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.38 2uua h ALA 28 Cb 1.36 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 2uua h ALA 28 CO -0.00 -0.12 0.74 0.00 0.00 0.00 0.00 179.25 179.87 2uua h ARG 29 N -0.13 0.13 0.13 0.00 3.08 -1.88 -1.68 114.38 114.03 2uua h ARG 29 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2uua h ARG 29 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2uua h ARG 29 CO 0.00 0.09 -0.06 0.00 -1.07 0.00 0.00 179.97 178.93 2uua h ALA 30 N 1.51 -1.01 -1.21 0.04 0.00 -1.35 -0.67 119.26 116.57 2uua h ALA 30 Ca 0.54 -0.04 0.36 0.00 0.00 0.00 0.00 54.91 55.77 2uua h ALA 30 Cb 1.86 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.61 2uua h ALA 30 CO -0.10 -1.00 0.80 -0.22 0.00 0.00 0.00 179.25 178.73 2uua h LYS 31 N -0.18 0.19 0.09 0.00 3.64 -1.24 -0.71 116.57 118.37 2uua h LYS 31 Ca -0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2uua h LYS 31 Cb 0.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2uua h LYS 31 CO 0.03 0.13 -0.05 1.49 -2.27 0.00 0.00 179.45 178.78 2uua h GLU 32 N 0.20 -0.12 -0.55 1.90 4.81 -1.19 -2.25 114.58 117.37 2uua h GLU 32 Ca 0.70 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.94 2uua h GLU 32 Cb 2.14 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.52 2uua h GLU 32 CO -0.31 0.34 0.34 0.00 -0.73 0.00 0.00 179.01 178.66 2uua h ALA 33 N 0.15 0.70 0.00 2.92 0.00 0.13 0.30 119.26 123.46 2uua h ALA 33 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2uua h ALA 33 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2uua h ALA 33 CO 0.02 0.17 -0.01 -0.07 0.00 0.00 0.00 179.25 179.36 2uua h LEU 34 N 0.74 0.00 0.00 0.00 3.38 -1.24 -2.76 115.31 115.43 2uua h LEU 34 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2uua h LEU 34 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2uua h LEU 34 CO -0.04 0.01 -0.01 -0.08 0.09 0.00 0.00 178.44 178.41 2uua h GLU 35 N 0.00 0.00 -1.91 1.13 4.81 -0.35 -0.72 114.58 117.54 2uua h GLU 35 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2uua h GLU 35 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2uua h GLU 35 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 2uua n LYS 36 N -2.98 0.54 0.00 1.92 5.02 0.86 -0.22 118.16 123.30 2uua n LYS 36 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2uua n LYS 36 Cb 0.01 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2uua n LYS 36 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2uua n THR 37 N 1.56 0.00 -3.63 -0.18 -1.04 -1.06 -4.97 114.28 104.97 2uua n THR 37 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 2uua n THR 37 Cb 0.27 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.79 2uua n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2uua n GLY 38 N 0.00 -1.01 2.81 3.41 0.00 0.69 -4.98 105.19 106.10 2uua n GLY 38 Ca 0.00 0.73 -0.25 0.00 0.00 0.00 0.00 46.02 46.50 2uua n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uua s ILE 39 N -2.67 0.60 -0.20 -0.61 1.01 -0.34 -5.04 121.20 113.95 2uua s ILE 39 Ca 0.09 -0.09 -0.38 0.00 0.00 0.00 0.00 60.65 60.27 2uua s ILE 39 Cb -0.01 -0.75 -0.14 0.00 0.01 0.00 0.00 42.46 41.57 2uua s ILE 39 CO 0.87 0.23 1.80 -3.20 0.00 0.00 0.00 174.94 174.65 2uua n ASN 40 N 5.07 2.85 0.25 3.58 4.05 -1.26 -4.76 115.26 125.04 2uua n ASN 40 Ca -0.09 1.03 0.12 0.00 0.45 0.00 0.00 54.58 56.09 2uua n ASN 40 Cb 0.50 -1.24 0.64 0.00 1.23 0.00 0.00 39.78 40.91 2uua n ASN 40 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2uua h PRO 41 N 8.07 0.00 0.00 1.20 0.11 -1.98 -2.87 132.00 136.53 2uua h PRO 41 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2uua h PRO 41 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2uua h PRO 41 CO 0.96 0.16 -0.02 0.00 -0.21 0.00 0.00 178.00 178.88 2uua h ALA 42 N 1.84 1.03 -2.83 -0.75 0.00 -1.96 -2.63 119.26 113.96 2uua h ALA 42 Ca -0.00 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.37 2uua h ALA 42 Cb 0.46 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.29 2uua h ALA 42 CO 0.02 0.03 0.58 0.95 0.00 0.00 0.00 179.25 180.83 2uua s THR 43 N -3.88 3.06 0.22 0.00 -4.23 -1.09 -4.68 115.64 105.05 2uua s THR 43 Ca -0.01 1.04 -0.30 0.00 -1.18 0.00 0.00 61.69 61.24 2uua s THR 43 Cb 0.11 -3.66 -0.09 0.00 1.34 0.00 0.00 72.50 70.19 2uua s THR 43 CO 0.51 0.24 1.35 -0.13 -0.54 0.00 0.00 174.62 176.05 2uua s ARG 44 N -1.45 4.35 0.21 3.99 3.00 -1.26 -1.73 118.95 126.05 2uua s ARG 44 Ca 0.48 2.14 -0.17 0.00 0.00 0.00 0.00 55.73 58.18 2uua s ARG 44 Cb -0.36 -3.17 0.20 0.00 0.00 0.00 0.00 34.95 31.62 2uua s ARG 44 CO 0.47 -0.31 1.60 0.28 0.00 0.00 0.00 175.30 177.34 2uua h VAL 45 N 3.67 0.22 0.00 3.52 2.07 -1.33 0.57 116.25 124.98 2uua h VAL 45 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2uua h VAL 45 Cb 1.22 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2uua h VAL 45 CO 0.77 0.00 0.45 0.07 0.02 0.00 0.00 177.57 178.89 2uua h LYS 46 N -0.09 0.00 -0.69 1.57 2.10 -1.91 0.63 116.57 118.19 2uua h LYS 46 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2uua h LYS 46 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2uua h LYS 46 CO -0.71 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.49 2uua n ASP 47 N -2.79 4.27 -4.82 7.07 8.00 0.20 -4.98 116.55 123.50 2uua n ASP 47 Ca -0.02 -2.19 -0.30 0.00 0.71 0.00 0.00 54.79 53.00 2uua n ASP 47 Cb 0.49 -0.52 0.09 0.00 -0.02 0.00 0.00 41.12 41.16 2uua n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2uua s LEU 48 N -1.35 2.54 -0.06 0.64 1.43 0.22 -4.92 118.68 117.18 2uua s LEU 48 Ca 0.49 1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.74 2uua s LEU 48 Cb 0.28 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2uua s LEU 48 CO 0.29 -1.97 0.16 -0.89 0.23 0.00 0.00 176.35 174.18 2uua s THR 49 N -3.23 5.47 0.28 5.49 2.01 -1.26 -4.94 115.64 119.45 2uua s THR 49 Ca 0.61 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.65 2uua s THR 49 Cb -0.14 -3.47 0.27 0.00 0.01 0.00 0.00 72.50 69.17 2uua s THR 49 CO 0.53 0.47 1.75 -0.08 -0.69 0.00 0.00 174.62 176.60 2uua h GLU 50 N 4.39 0.57 0.17 4.92 4.57 -1.97 0.69 114.58 127.92 2uua h GLU 50 Ca -0.52 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.64 2uua h GLU 50 Cb 1.21 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 2uua h GLU 50 CO 0.64 0.38 -0.35 0.00 -1.18 0.00 0.00 179.01 178.50 2uua h ALA 51 N 1.62 -0.63 0.40 2.92 0.00 -1.99 0.78 119.26 122.35 2uua h ALA 51 Ca 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2uua h ALA 51 Cb 0.82 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2uua h ALA 51 CO -0.41 -0.91 -0.19 0.93 0.00 0.00 0.00 179.25 178.67 2uua h GLU 52 N -0.61 -0.51 -1.00 0.00 5.08 -1.44 0.25 114.58 116.34 2uua h GLU 52 Ca 0.02 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.63 2uua h GLU 52 Cb 0.61 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.87 2uua h GLU 52 CO -0.17 -0.31 0.62 0.28 -1.00 0.00 0.00 179.01 178.42 2uua h VAL 53 N -0.58 0.63 0.00 3.13 2.07 0.47 1.04 116.25 123.01 2uua h VAL 53 Ca -0.05 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 2uua h VAL 53 Cb 0.44 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2uua h VAL 53 CO 0.09 0.11 -0.39 0.58 0.02 0.00 0.00 177.57 177.98 2uua h VAL 54 N 0.62 1.51 -0.79 2.57 2.07 -0.58 -2.19 116.25 119.46 2uua h VAL 54 Ca 0.59 -2.03 0.05 0.00 0.82 0.00 0.00 66.70 66.13 2uua h VAL 54 Cb 1.12 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 33.58 2uua h VAL 54 CO -0.37 0.57 0.48 -0.09 0.02 0.00 0.00 177.57 178.18 2uua h ARG 55 N -0.36 0.88 -0.23 1.57 2.43 0.08 -0.83 114.38 117.92 2uua h ARG 55 Ca -0.05 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2uua h ARG 55 Cb 1.14 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2uua h ARG 55 CO 0.08 0.58 0.12 1.25 -1.51 0.00 0.00 179.97 180.49 2uua h LEU 56 N 0.91 0.29 0.18 3.80 6.46 0.10 -2.91 115.31 124.14 2uua h LEU 56 Ca 0.33 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2uua h LEU 56 Cb 0.11 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 2uua h LEU 56 CO -0.15 0.31 -0.28 -0.09 -0.62 0.00 0.00 178.44 177.61 2uua h ARG 57 N 0.24 -0.51 -0.49 1.25 2.43 -0.80 -2.70 114.38 113.81 2uua h ARG 57 Ca 0.08 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2uua h ARG 57 Cb 0.09 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 2uua h ARG 57 CO -0.01 -0.34 -0.29 0.39 -1.51 0.00 0.00 179.97 178.21 2uua n GLU 58 N -5.39 -0.22 0.02 0.20 -0.58 -0.37 0.63 120.64 114.92 2uua n GLU 58 Ca -0.07 1.12 -0.04 0.00 -0.42 0.00 0.00 57.16 57.75 2uua n GLU 58 Cb 0.30 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 2uua n GLU 58 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2uua h TYR 59 N 0.00 -0.41 -0.24 -0.32 5.03 -1.44 -1.82 116.97 117.78 2uua h TYR 59 Ca 0.08 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.44 2uua h TYR 59 Cb 0.20 0.18 -0.07 0.00 1.55 0.00 0.00 36.73 38.59 2uua h TYR 59 CO -0.86 -0.15 -0.55 0.28 -1.32 0.00 0.00 178.16 175.56 2uua h VAL 60 N -0.18 0.00 -0.96 1.81 2.07 -1.05 0.79 116.25 118.73 2uua h VAL 60 Ca 0.00 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.81 2uua h VAL 60 Cb 0.19 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.82 2uua h VAL 60 CO -0.09 0.00 0.47 -0.33 0.02 0.00 0.00 177.57 177.64 2uua h GLU 61 N -0.51 0.31 0.00 1.57 4.39 0.27 -3.17 114.58 117.44 2uua h GLU 61 Ca 0.05 -0.02 -0.29 0.00 0.34 0.00 0.00 59.36 59.44 2uua h GLU 61 Cb 0.65 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 2uua h GLU 61 CO -0.50 0.21 -2.08 0.09 -1.16 0.00 0.00 179.01 175.57 2uua n ASN 62 N -5.08 1.16 -0.22 1.42 5.03 -0.69 -4.61 115.26 112.26 2uua n ASN 62 Ca 0.28 -0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.67 2uua n ASN 62 Cb 0.85 0.86 0.11 0.00 -1.02 0.00 0.00 39.78 40.58 2uua n ASN 62 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 2uua h THR 63 N 0.00 1.25 -3.08 3.41 2.02 0.61 -3.46 112.91 113.66 2uua h THR 63 Ca -0.43 -0.89 -0.42 0.00 0.77 0.00 0.00 66.41 65.44 2uua h THR 63 Cb 1.96 0.53 -0.14 0.00 -1.74 0.00 0.00 68.15 68.76 2uua h THR 63 CO 0.02 0.34 -0.66 0.26 0.37 0.00 0.00 175.52 175.86 2uua s TRP 64 N -5.32 1.71 -0.16 3.16 0.51 -1.21 -5.09 118.94 112.54 2uua s TRP 64 Ca -0.11 -0.86 -0.17 0.00 -2.12 0.00 0.00 56.10 52.84 2uua s TRP 64 Cb 0.15 -1.00 -0.04 0.00 -0.81 0.00 0.00 33.47 31.77 2uua s TRP 64 CO 0.83 0.06 0.43 0.21 -0.51 0.00 0.00 176.95 177.96 2uua s LYS 65 N -3.83 4.27 0.00 4.98 2.20 -1.26 -4.78 119.74 121.32 2uua s LYS 65 Ca 0.29 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 2uua s LYS 65 Cb 0.05 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2uua s LYS 65 CO 0.10 0.09 0.00 1.28 -0.36 0.00 0.00 175.35 176.46 2uua n LEU 66 N 3.98 0.00 0.00 5.43 4.77 -1.26 -4.71 117.00 125.21 2uua n LEU 66 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2uua n LEU 66 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2uua n LEU 66 CO 0.42 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.86 2uua n GLU 67 N 0.00 0.00 0.00 3.23 -0.58 -1.26 -0.28 120.64 121.75 2uua n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2uua n GLU 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2uua n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2uua n GLY 68 N 0.00 -0.05 0.22 0.62 0.00 -1.26 -3.30 105.19 101.41 2uua n GLY 68 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2uua n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2uua h GLU 69 N 0.00 0.24 0.25 1.61 4.81 -1.94 0.44 114.58 119.99 2uua h GLU 69 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2uua h GLU 69 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2uua h GLU 69 CO 0.00 0.16 -0.24 1.25 -0.73 0.00 0.00 179.01 179.45 2uua h LEU 70 N 0.24 -0.63 0.07 1.64 6.46 -0.63 -1.54 115.31 120.92 2uua h LEU 70 Ca 0.29 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 58.13 2uua h LEU 70 Cb 0.41 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 2uua h LEU 70 CO -0.38 -0.35 -0.42 0.03 -0.62 0.00 0.00 178.44 176.70 2uua h ARG 71 N -0.51 -0.60 -1.00 1.25 3.08 -1.57 -0.03 114.38 114.99 2uua h ARG 71 Ca -0.01 0.04 0.36 0.00 0.07 0.00 0.00 59.98 60.44 2uua h ARG 71 Cb 0.47 0.14 -0.18 0.00 0.08 0.00 0.00 29.97 30.48 2uua h ARG 71 CO -0.05 -0.40 0.31 0.00 -1.07 0.00 0.00 179.97 178.76 2uua n ALA 72 N -2.85 0.80 0.18 0.04 0.00 0.15 0.79 120.51 119.62 2uua n ALA 72 Ca -0.07 1.04 -0.07 0.00 0.00 0.00 0.00 53.44 54.34 2uua n ALA 72 Cb 0.38 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 2uua n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2uua h GLU 73 N 0.00 -0.46 -0.76 0.00 4.81 -0.01 0.34 114.58 118.50 2uua h GLU 73 Ca 0.74 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 60.18 2uua h GLU 73 Cb 1.81 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 31.16 2uua h GLU 73 CO -0.84 -0.31 0.03 0.28 -0.73 0.00 0.00 179.01 177.44 2uua h VAL 74 N -0.65 0.35 -0.07 0.32 2.07 -0.23 1.01 116.25 119.05 2uua h VAL 74 Ca -0.05 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2uua h VAL 74 Cb 0.37 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2uua h VAL 74 CO 0.08 0.02 -0.18 0.00 0.02 0.00 0.00 177.57 177.51 2uua h ALA 75 N 1.71 -0.17 -0.28 1.67 0.00 0.38 -1.88 119.26 120.69 2uua h ALA 75 Ca 0.42 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.42 2uua h ALA 75 Cb 0.75 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2uua h ALA 75 CO -0.66 -0.66 -0.14 0.00 0.00 0.00 0.00 179.25 177.79 2uua h ALA 76 N 0.70 0.07 -0.11 0.00 0.00 0.48 -2.61 119.26 117.80 2uua h ALA 76 Ca 0.08 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2uua h ALA 76 Cb 0.37 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2uua h ALA 76 CO -0.22 -0.54 -0.36 -0.91 0.00 0.00 0.00 179.25 177.21 2uua h ASN 77 N -0.11 -1.12 -1.00 0.00 2.35 0.98 -1.32 115.58 115.36 2uua h ASN 77 Ca 0.15 0.15 0.15 0.00 -0.55 0.00 0.00 56.30 56.20 2uua h ASN 77 Cb 0.33 0.46 -0.09 0.00 0.05 0.00 0.00 38.32 39.07 2uua h ASN 77 CO -0.35 -0.39 0.62 0.40 -1.65 0.00 0.00 177.43 176.06 2uua h ILE 78 N -0.45 0.83 -0.72 2.81 2.04 -1.14 0.33 117.51 121.20 2uua h ILE 78 Ca 0.08 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 2uua h ILE 78 Cb 0.59 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2uua h ILE 78 CO -0.36 0.16 0.21 0.50 0.00 0.00 0.00 178.15 178.66 2uua h LYS 79 N 0.89 1.13 -0.29 2.37 3.64 -1.01 -1.38 116.57 121.92 2uua h LYS 79 Ca 0.53 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 2uua h LYS 79 Cb 0.67 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2uua h LYS 79 CO -0.31 0.97 0.05 -0.09 -2.27 0.00 0.00 179.45 177.81 2uua h ARG 80 N 1.08 0.15 -0.93 1.90 2.43 0.65 0.53 114.38 120.19 2uua h ARG 80 Ca 0.23 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 2uua h ARG 80 Cb 0.33 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 2uua h ARG 80 CO -0.00 0.10 0.61 -0.07 -1.51 0.00 0.00 179.97 179.09 2uua h LEU 81 N 0.16 0.96 -0.00 3.80 3.38 -0.44 -1.56 115.31 121.60 2uua h LEU 81 Ca 0.14 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.84 2uua h LEU 81 Cb 0.15 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.71 2uua h LEU 81 CO -0.18 0.62 -1.09 0.24 0.09 0.00 0.00 178.44 178.11 2uua h MET 82 N 1.09 0.58 -0.42 1.13 2.86 -0.24 -3.29 114.93 116.64 2uua h MET 82 Ca 0.40 -0.68 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 2uua h MET 82 Cb 0.16 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 2uua h MET 82 CO -0.15 1.28 0.21 -0.44 1.06 0.00 0.00 176.91 178.87 2uua h ASP 83 N 0.30 0.30 -3.28 1.22 5.19 0.50 -3.33 116.42 117.33 2uua h ASP 83 Ca -0.13 0.02 -0.59 0.00 -0.62 0.00 0.00 57.03 55.71 2uua h ASP 83 Cb 1.75 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 41.15 2uua h ASP 83 CO 0.20 0.22 0.65 0.27 -3.12 0.00 0.00 179.24 177.46 2uua s ILE 84 N -6.15 4.69 0.00 0.35 -4.36 -0.63 -4.88 121.20 110.22 2uua s ILE 84 Ca -0.13 1.64 0.00 0.00 -0.26 0.00 0.00 60.65 61.90 2uua s ILE 84 Cb 0.12 -4.26 0.00 0.00 1.25 0.00 0.00 42.46 39.57 2uua s ILE 84 CO 0.72 -0.26 0.46 0.61 0.24 0.00 0.00 174.94 176.71 2uua n GLY 85 N 3.79 0.93 3.91 6.27 0.00 -1.25 -4.77 105.19 114.06 2uua n GLY 85 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2uua n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua h TYR 87 N 0.07 -1.49 -0.94 0.00 3.20 -1.90 -1.84 116.97 114.08 2uua h TYR 87 Ca -0.46 0.04 0.19 0.00 3.14 0.00 0.00 58.73 61.63 2uua h TYR 87 Cb 1.22 0.64 -0.18 0.00 1.54 0.00 0.00 36.73 39.95 2uua h TYR 87 CO 0.55 -0.57 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.17 2uua h ARG 88 N -0.71 -0.00 -0.46 1.82 2.43 -1.93 0.38 114.38 115.92 2uua h ARG 88 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2uua h ARG 88 Cb 0.72 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 2uua h ARG 88 CO -0.29 -0.00 0.28 0.78 -1.51 0.00 0.00 179.97 179.22 2uua h GLY 89 N -0.00 0.65 0.23 2.80 0.00 -1.50 -2.30 103.07 102.94 2uua h GLY 89 Ca 0.44 -0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.66 2uua h GLY 89 CO -0.96 0.18 0.02 1.41 0.00 0.00 0.00 176.54 177.19 2uua h LEU 90 N 0.56 -0.16 -0.42 3.11 3.38 0.51 0.92 115.31 123.20 2uua h LEU 90 Ca 0.18 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.30 2uua h LEU 90 Cb 0.00 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2uua h LEU 90 CO -0.08 -0.05 0.21 0.03 0.09 0.00 0.00 178.44 178.64 2uua h ARG 91 N 0.14 0.41 -0.94 1.13 2.47 -0.87 -0.76 114.38 115.96 2uua h ARG 91 Ca 0.25 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 59.00 2uua h ARG 91 Cb 0.36 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.53 2uua h ARG 91 CO -0.39 0.27 0.61 0.45 0.56 0.00 0.00 179.97 181.47 2uua h HIS 92 N 0.42 1.10 -0.30 3.04 3.86 -0.63 0.88 115.15 123.52 2uua h HIS 92 Ca 0.18 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 2uua h HIS 92 Cb 0.09 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 2uua h HIS 92 CO -0.10 0.58 -0.06 -0.09 0.86 0.00 0.00 177.93 179.12 2uua h ARG 93 N 1.09 0.47 -0.02 2.45 2.43 0.21 -2.50 114.38 118.51 2uua h ARG 93 Ca 0.40 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2uua h ARG 93 Cb 0.16 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2uua h ARG 93 CO -0.15 0.54 -0.12 0.54 -1.51 0.00 0.00 179.97 179.27 2uua n ARG 94 N -4.26 1.90 -3.53 0.20 5.12 -0.23 -4.99 116.66 110.86 2uua n ARG 94 Ca 0.01 -1.50 -0.21 0.00 -1.93 0.00 0.00 57.85 54.22 2uua n ARG 94 Cb 0.27 -1.47 0.08 0.00 -1.16 0.00 0.00 32.46 30.18 2uua n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uua n GLY 95 N 1.34 -0.46 3.59 -0.13 0.00 0.29 -5.03 105.19 104.80 2uua n GLY 95 Ca 0.14 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 2uua n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uua s LEU 96 N -6.87 2.84 0.59 0.99 1.43 -0.95 -4.22 118.68 112.50 2uua s LEU 96 Ca 0.31 -1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 51.99 2uua s LEU 96 Cb -0.14 -1.01 -0.11 0.00 0.03 0.00 0.00 46.19 44.96 2uua s LEU 96 CO 0.73 -0.33 0.16 -2.65 0.23 0.00 0.00 176.35 174.50 2uua n PRO 97 N -0.91 0.23 0.00 1.29 -0.02 -1.26 -4.59 135.00 129.74 2uua n PRO 97 Ca -0.05 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2uua n PRO 97 Cb 0.65 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2uua n PRO 97 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2uua n VAL 98 N -1.78 0.00 -1.01 -1.45 0.31 -1.26 -4.74 118.33 108.40 2uua n VAL 98 Ca 0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.23 2uua n VAL 98 Cb 0.48 -0.43 0.02 0.00 -0.91 0.00 0.00 33.84 33.00 2uua n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2uua n ARG 99 N -1.80 1.93 -3.72 5.55 1.74 -1.26 -4.86 116.66 114.23 2uua n ARG 99 Ca 0.00 -1.72 -0.23 0.00 -0.77 0.00 0.00 57.85 55.13 2uua n ARG 99 Cb 0.31 -1.72 0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2uua n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2uua n GLY 100 N 0.46 -0.42 3.82 -0.13 0.00 -1.26 -5.02 105.19 102.63 2uua n GLY 100 Ca 0.34 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.33 2uua n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uua s GLN 101 N -6.01 2.91 0.64 1.61 1.11 -1.26 -5.09 119.66 113.58 2uua s GLN 101 Ca 0.09 -1.00 -0.18 0.00 0.01 0.00 0.00 55.36 54.28 2uua s GLN 101 Cb -0.03 -2.58 -0.01 0.00 -1.01 0.00 0.00 33.01 29.37 2uua s GLN 101 CO 0.83 0.42 1.28 -0.98 0.01 0.00 0.00 175.29 176.85 2uua s ARG 102 N -3.63 2.61 0.00 2.91 1.70 -1.26 -4.93 118.95 116.35 2uua s ARG 102 Ca 0.32 2.01 0.00 0.00 -0.47 0.00 0.00 55.73 57.59 2uua s ARG 102 Cb -0.08 -1.86 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 2uua s ARG 102 CO 0.24 -1.54 0.00 0.25 -1.08 0.00 0.00 175.30 173.17 2uua n THR 103 N -1.89 0.00 0.01 4.99 -2.24 -1.26 -4.60 114.28 109.28 2uua n THR 103 Ca 0.15 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 2uua n THR 103 Cb 0.48 0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 69.25 2uua n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2uua h ARG 104 N 0.00 -0.40 -6.28 -0.78 2.43 -2.03 -3.42 114.38 103.91 2uua h ARG 104 Ca 0.00 0.03 -0.51 0.00 -0.81 0.00 0.00 59.98 58.69 2uua h ARG 104 Cb 0.00 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2uua h ARG 104 CO 0.00 -0.26 -0.25 0.95 -1.51 0.00 0.00 179.97 178.89 2uua s THR 105 N -4.82 2.26 0.00 0.20 -4.23 -1.26 -5.03 115.64 102.76 2uua s THR 105 Ca -0.10 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2uua s THR 105 Cb 0.05 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.39 2uua s THR 105 CO 0.41 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 175.08 2uua n ASN 106 N -1.86 0.00 -1.53 3.99 3.02 -1.26 -4.91 115.26 112.70 2uua n ASN 106 Ca 0.06 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.47 2uua n ASN 106 Cb 0.62 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 2uua n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uua n ALA 107 N 5.77 -0.38 0.06 5.41 0.00 -1.26 -4.92 120.51 125.20 2uua n ALA 107 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.52 2uua n ALA 107 Cb 0.00 -1.66 0.09 0.00 0.00 0.00 0.00 19.45 17.88 2uua n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uua h ARG 108 N 0.00 0.33 -0.39 0.00 2.47 -1.91 -1.62 114.38 113.26 2uua h ARG 108 Ca -0.34 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.15 2uua h ARG 108 Cb 1.18 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.52 2uua h ARG 108 CO 0.42 0.84 0.21 1.15 0.56 0.00 0.00 179.97 183.15 2uua h THR 109 N 0.24 1.13 0.03 2.04 2.02 -1.91 1.19 112.91 117.65 2uua h THR 109 Ca -0.01 -0.33 -0.29 0.00 0.77 0.00 0.00 66.41 66.55 2uua h THR 109 Cb 1.14 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2uua h THR 109 CO 0.10 0.14 -1.65 -0.09 0.37 0.00 0.00 175.52 174.39 2uua h ARG 110 N 0.55 0.06 0.00 6.66 9.65 -1.87 -3.36 114.38 126.06 2uua h ARG 110 Ca 0.14 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 2uua h ARG 110 Cb 0.03 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2uua h ARG 110 CO -0.02 0.69 -0.74 0.87 2.80 0.00 0.00 179.97 183.57 2uua h LYS 111 N 0.02 0.00 0.00 0.20 1.57 -0.94 -3.43 116.57 113.99 2uua h LYS 111 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2uua h LYS 111 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.30 2uua h LYS 111 CO 0.09 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 2uua n GLY 112 N 1.21 -0.10 3.71 3.86 0.00 0.41 -4.89 105.19 109.39 2uua n GLY 112 Ca -0.01 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2uua n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uua s PRO 113 N 0.00 1.61 -0.58 1.61 0.04 -1.26 -4.73 135.00 131.69 2uua s PRO 113 Ca 0.00 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 2uua s PRO 113 Cb 0.00 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.78 2uua s PRO 113 CO 0.00 -2.19 1.10 1.03 0.04 0.00 0.00 177.00 176.98 2uua s ARG 114 N -4.40 3.42 -1.31 4.56 0.52 -1.26 -4.96 118.95 115.51 2uua s ARG 114 Ca 0.69 0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.74 2uua s ARG 114 Cb -0.24 -4.04 0.08 0.00 0.52 0.00 0.00 34.95 31.26 2uua s ARG 114 CO 0.53 -1.64 1.76 1.63 0.02 0.00 0.00 175.30 177.60 2uua n LYS 115 N 8.13 3.19 -1.04 3.54 4.01 -1.26 -4.98 118.16 129.75 2uua n LYS 115 Ca 0.05 -3.27 -0.32 0.00 -0.51 0.00 0.00 58.31 54.26 2uua n LYS 115 Cb 0.48 -3.43 0.13 0.00 -0.51 0.00 0.00 35.03 31.70 2uua n LYS 115 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2uua s THR 116 N 3.86 2.32 0.00 -0.18 2.01 -1.26 -5.05 115.64 117.34 2uua s THR 116 Ca 0.52 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.65 2uua s THR 116 Cb 0.04 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2uua s THR 116 CO 0.06 -0.12 0.00 1.33 -0.69 0.00 0.00 174.62 175.20 2uua n VAL 117 N -3.59 0.00 -3.76 3.82 0.24 -1.26 -5.16 118.33 108.62 2uua n VAL 117 Ca 0.12 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.17 2uua n VAL 117 Cb 0.51 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.71 2uua n VAL 117 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2uua s ALA 118 N -1.44 0.83 0.55 2.33 0.00 -1.26 -5.14 121.76 117.63 2uua s ALA 118 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2uua s ALA 118 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2uua s ALA 118 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2uua n GLY 119 N 5.11 0.24 3.58 0.00 0.00 -1.26 -4.94 105.19 107.92 2uua n GLY 119 Ca -0.08 -1.88 -0.46 0.00 0.00 0.00 0.00 46.02 43.61 2uua n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uua n LYS 120 N -1.00 1.87 -0.50 1.61 3.00 -1.26 -4.85 118.16 117.03 2uua n LYS 120 Ca 0.00 0.57 0.10 0.00 -0.00 0.00 0.00 58.31 58.98 2uua n LYS 120 Cb 0.00 -2.93 0.33 0.00 0.00 0.00 0.00 35.03 32.43 2uua n LYS 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2uua n LYS 121 N 8.15 3.23 -2.29 1.64 5.02 -1.26 -4.34 118.16 128.31 2uua n LYS 121 Ca 0.31 -2.63 -0.20 0.00 -2.02 0.00 0.00 58.31 53.77 2uua n LYS 121 Cb 0.36 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 2uua n LYS 121 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2uua n LYS 122 N 1.24 3.11 -3.64 1.97 3.00 -1.26 -5.01 118.16 117.56 2uua n LYS 122 Ca 0.24 -4.07 -0.05 0.00 -0.00 0.00 0.00 58.31 54.43 2uua n LYS 122 Cb 0.75 -2.10 -0.07 0.00 0.00 0.00 0.00 35.03 33.62 2uua n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2uua s ALA 123 N -3.60 -2.15 -0.40 3.14 0.00 -1.26 -5.12 121.76 112.38 2uua s ALA 123 Ca 0.45 1.83 -0.27 0.00 0.00 0.00 0.00 51.96 53.96 2uua s ALA 123 Cb 0.40 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 2uua s ALA 123 CO -0.02 -0.19 2.16 -2.14 0.00 0.00 0.00 175.76 175.57 2uua s PRO 124 N 0.29 2.72 0.28 0.00 0.02 -1.26 -4.83 135.00 132.22 2uua s PRO 124 Ca 0.03 1.48 0.26 0.00 0.02 0.00 0.00 61.00 62.79 2uua s PRO 124 Cb -0.05 -4.42 0.89 0.00 0.02 0.00 0.00 34.50 30.94 2uua s PRO 124 CO -0.11 -2.58 1.76 0.07 -0.33 0.00 0.00 177.00 175.81 2uua h ARG 125 N 16.28 0.00 0.00 5.54 -0.00 -2.00 -3.54 114.38 130.65 2uua h ARG 125 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2uua h ARG 125 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 2uua h ARG 125 CO 1.08 0.00 0.00 1.63 -0.00 0.00 0.00 179.97 182.68