#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua s ARG 2 N 0.00 0.73 -0.12 0.03 0.52 0.46 -4.88 118.95 115.69 2uua s ARG 2 Ca 0.00 0.16 -0.25 0.00 -0.52 0.00 0.00 55.73 55.12 2uua s ARG 2 Cb 0.00 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.78 2uua s ARG 2 CO 0.00 -0.18 0.78 0.50 0.02 0.00 0.00 175.30 176.42 2uua s ARG 3 N -0.84 4.36 0.31 3.54 3.52 -1.26 -1.35 118.95 127.23 2uua s ARG 3 Ca -0.09 0.97 0.03 0.00 -0.13 0.00 0.00 55.73 56.50 2uua s ARG 3 Cb -0.03 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 2uua s ARG 3 CO 0.05 -0.16 0.10 0.66 -0.81 0.00 0.00 175.30 175.13 2uua n TYR 4 N 4.61 0.19 -3.65 5.12 4.01 -0.73 -0.76 117.16 125.94 2uua n TYR 4 Ca 0.02 -1.93 -0.24 0.00 -0.16 0.00 0.00 57.90 55.59 2uua n TYR 4 Cb 0.50 -0.03 -0.17 0.00 -0.31 0.00 0.00 39.34 39.33 2uua n TYR 4 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2uua s GLU 5 N -3.17 0.12 -0.88 -0.72 2.02 -0.30 -2.45 118.70 113.32 2uua s GLU 5 Ca 0.14 0.01 -0.16 0.00 0.02 0.00 0.00 54.97 54.98 2uua s GLU 5 Cb 0.01 -1.48 0.18 0.00 0.10 0.00 0.00 34.13 32.94 2uua s GLU 5 CO 0.10 -0.56 0.93 0.08 0.02 0.00 0.00 175.26 175.83 2uua s VAL 6 N 2.11 5.23 0.26 2.63 1.01 -0.65 -0.41 120.40 130.57 2uua s VAL 6 Ca 0.03 -2.09 -0.29 0.00 0.00 0.00 0.00 61.98 59.62 2uua s VAL 6 Cb -0.15 -4.61 -0.09 0.00 0.00 0.00 0.00 36.38 31.53 2uua s VAL 6 CO -0.07 -1.24 1.16 0.20 0.00 0.00 0.00 175.10 175.15 2uua s ASN 7 N 2.80 7.14 -0.13 3.32 0.01 0.16 -3.63 114.94 124.61 2uua s ASN 7 Ca 0.25 2.32 -0.05 0.00 -0.71 0.00 0.00 52.86 54.67 2uua s ASN 7 Cb -0.08 -2.62 0.06 0.00 0.41 0.00 0.00 41.25 39.02 2uua s ASN 7 CO -0.09 -0.27 0.26 -0.63 -1.51 0.00 0.00 177.10 174.85 2uua s ILE 8 N -0.81 -0.38 -0.22 0.60 1.01 -0.49 -1.16 121.20 119.74 2uua s ILE 8 Ca 0.48 0.28 -0.06 0.00 0.00 0.00 0.00 60.65 61.34 2uua s ILE 8 Cb -0.33 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2uua s ILE 8 CO 0.41 0.12 0.04 -0.69 0.00 0.00 0.00 174.94 174.82 2uua s VAL 9 N 2.33 4.27 0.36 2.92 1.01 -1.01 0.35 120.40 130.64 2uua s VAL 9 Ca 0.01 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2uua s VAL 9 Cb -0.12 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2uua s VAL 9 CO -0.08 0.39 0.38 -0.76 0.00 0.00 0.00 175.10 175.03 2uua s LEU 10 N 1.14 3.66 -0.15 3.92 1.43 0.37 -2.19 118.68 126.86 2uua s LEU 10 Ca 0.04 -0.46 -0.32 0.00 -1.03 0.00 0.00 54.13 52.36 2uua s LEU 10 Cb -0.14 -2.36 -0.09 0.00 0.03 0.00 0.00 46.19 43.62 2uua s LEU 10 CO 0.03 -0.47 2.04 -3.20 0.23 0.00 0.00 176.35 174.98 2uua n ASN 11 N -1.52 3.31 -0.04 2.29 2.85 0.12 -0.24 115.26 122.02 2uua n ASN 11 Ca 0.01 0.66 0.00 0.00 -0.11 0.00 0.00 54.58 55.14 2uua n ASN 11 Cb 0.60 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 40.19 2uua n ASN 11 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2uua n PRO 12 N 7.64 0.26 -2.59 1.20 -0.04 -1.26 -3.38 135.00 136.82 2uua n PRO 12 Ca 0.27 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.58 2uua n PRO 12 Cb 0.34 -1.01 0.02 0.00 -0.04 0.00 0.00 33.50 32.81 2uua n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2uua n ASN 13 N -0.42 2.60 -4.47 3.54 3.02 -1.26 -4.98 115.26 113.28 2uua n ASN 13 Ca 0.00 -3.04 -0.34 0.00 -0.03 0.00 0.00 54.58 51.17 2uua n ASN 13 Cb 0.01 -0.50 -0.12 0.00 -0.61 0.00 0.00 39.78 38.55 2uua n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2uua s LEU 14 N -3.29 3.21 0.63 3.41 1.43 -1.22 -5.06 118.68 117.80 2uua s LEU 14 Ca 0.34 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 2uua s LEU 14 Cb 0.43 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2uua s LEU 14 CO -0.04 0.14 1.12 1.51 0.23 0.00 0.00 176.35 179.31 2uua s ASP 15 N 0.54 5.21 0.60 2.29 1.47 -1.26 -4.52 116.67 120.99 2uua s ASP 15 Ca -0.03 2.06 0.26 0.00 1.18 0.00 0.00 52.55 56.02 2uua s ASP 15 Cb -0.14 -2.56 0.90 0.00 -0.34 0.00 0.00 42.92 40.78 2uua s ASP 15 CO 0.03 -1.56 1.28 1.67 0.68 0.00 0.00 175.17 177.26 2uua n GLN 16 N -2.17 0.01 -0.06 2.11 -0.06 -1.26 -0.02 117.38 115.94 2uua n GLN 16 Ca 0.11 1.01 -0.12 0.00 -2.00 0.00 0.00 57.00 55.99 2uua n GLN 16 Cb 0.52 -2.50 -0.11 0.00 -4.06 0.00 0.00 30.24 24.09 2uua n GLN 16 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 2uua h SER 17 N 0.00 -0.01 -0.50 1.69 0.02 -2.00 -3.03 113.55 109.72 2uua h SER 17 Ca 0.49 -0.82 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 2uua h SER 17 Cb 2.90 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 65.42 2uua h SER 17 CO -0.01 0.87 0.05 1.56 -1.14 0.00 0.00 176.83 178.16 2uua h GLN 18 N -0.94 0.85 0.20 3.45 4.20 -0.77 -2.48 115.11 119.61 2uua h GLN 18 Ca -0.00 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.47 2uua h GLN 18 Cb 0.83 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2uua h GLN 18 CO 0.00 0.86 -0.25 1.25 -0.67 0.00 0.00 178.83 180.02 2uua h LEU 19 N 0.72 -0.69 -0.51 1.46 6.46 -1.42 -1.84 115.31 119.49 2uua h LEU 19 Ca 0.15 0.07 0.10 0.00 -0.12 0.00 0.00 57.88 58.08 2uua h LEU 19 Cb 0.44 0.25 -0.10 0.00 -0.73 0.00 0.00 40.66 40.52 2uua h LEU 19 CO 0.02 -0.36 -0.17 0.00 -0.62 0.00 0.00 178.44 177.30 2uua h ALA 20 N 0.19 0.25 0.83 1.25 0.00 -1.42 0.19 119.26 120.55 2uua h ALA 20 Ca 0.01 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2uua h ALA 20 Cb 0.49 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2uua h ALA 20 CO -0.09 -0.49 -0.43 1.25 0.00 0.00 0.00 179.25 179.49 2uua h LEU 21 N -0.06 -1.03 -0.30 0.00 5.85 -1.16 -1.73 115.31 116.89 2uua h LEU 21 Ca 0.24 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.07 2uua h LEU 21 Cb 0.43 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 2uua h LEU 21 CO -0.55 -0.70 -0.38 -0.33 -0.34 0.00 0.00 178.44 176.13 2uua h GLU 22 N -1.15 -0.34 -0.86 1.25 4.39 -1.05 0.98 114.58 117.79 2uua h GLU 22 Ca -0.11 0.02 0.24 0.00 0.34 0.00 0.00 59.36 59.85 2uua h GLU 22 Cb 0.89 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.58 2uua h GLU 22 CO 0.16 -0.23 0.61 -0.22 -1.16 0.00 0.00 179.01 178.18 2uua h LYS 23 N -0.36 0.07 0.14 2.33 3.64 -0.52 0.15 116.57 122.03 2uua h LYS 23 Ca 0.13 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.18 2uua h LYS 23 Cb 0.58 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2uua h LYS 23 CO -0.49 0.04 -1.66 1.05 -2.27 0.00 0.00 179.45 176.13 2uua h GLU 24 N 0.07 0.30 -0.75 1.90 -0.00 -0.15 -3.02 114.58 112.93 2uua h GLU 24 Ca 0.42 -0.51 0.21 0.00 -0.00 0.00 0.00 59.36 59.47 2uua h GLU 24 Cb 1.56 0.19 -0.03 0.00 -0.00 0.00 0.00 28.75 30.46 2uua h GLU 24 CO -0.04 1.18 0.53 0.82 -0.00 0.00 0.00 179.01 181.50 2uua h ILE 25 N 0.08 0.65 -0.08 -1.06 2.04 0.11 0.90 117.51 120.16 2uua h ILE 25 Ca -0.30 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2uua h ILE 25 Cb 2.05 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2uua h ILE 25 CO 0.16 0.01 -0.08 0.40 0.00 0.00 0.00 178.15 178.65 2uua h ILE 26 N 0.07 1.37 -0.46 -0.67 2.04 -1.33 -1.98 117.51 116.55 2uua h ILE 26 Ca 0.36 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2uua h ILE 26 Cb 1.34 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 2uua h ILE 26 CO -0.03 0.34 0.31 1.56 0.00 0.00 0.00 178.15 180.33 2uua h GLN 27 N -0.24 0.52 0.28 2.37 1.08 0.65 -1.25 115.11 118.52 2uua h GLN 27 Ca 0.01 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2uua h GLN 27 Cb 0.59 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2uua h GLN 27 CO 0.02 0.34 -0.14 -0.09 -0.95 0.00 0.00 178.83 178.02 2uua h ARG 28 N 0.53 -0.37 -0.95 1.46 2.43 0.18 -3.05 114.38 114.62 2uua h ARG 28 Ca 0.18 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.60 2uua h ARG 28 Cb 0.08 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 29.59 2uua h ARG 28 CO -0.05 -0.24 0.50 0.00 -1.51 0.00 0.00 179.97 178.67 2uua h ALA 29 N -1.73 1.59 -0.75 2.80 0.00 -1.24 0.12 119.26 120.06 2uua h ALA 29 Ca -0.04 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2uua h ALA 29 Cb 0.29 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2uua h ALA 29 CO 0.06 -0.26 0.36 -0.07 0.00 0.00 0.00 179.25 179.35 2uua h LEU 30 N 0.53 0.44 -0.08 0.00 3.38 -1.26 -2.30 115.31 116.03 2uua h LEU 30 Ca 0.59 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.62 2uua h LEU 30 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2uua h LEU 30 CO -0.47 0.23 0.01 -0.33 0.09 0.00 0.00 178.44 177.97 2uua h GLU 31 N 0.58 0.12 -0.65 1.13 5.08 -0.66 -1.25 114.58 118.94 2uua h GLU 31 Ca 0.38 -0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.90 2uua h GLU 31 Cb 0.46 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2uua h GLU 31 CO -0.31 0.34 0.64 -0.91 -1.00 0.00 0.00 179.01 177.77 2uua h ASN 32 N -0.11 0.00 0.00 1.42 -0.26 -0.90 -2.40 115.58 113.33 2uua h ASN 32 Ca 0.02 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.68 2uua h ASN 32 Cb 0.27 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 2uua h ASN 32 CO 0.00 0.00 -2.04 -1.22 -1.06 0.00 0.00 177.43 173.11 2uua n TYR 33 N -3.73 0.00 0.00 1.19 4.02 -1.10 -5.00 117.16 112.54 2uua n TYR 33 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2uua n TYR 33 Cb 0.88 -0.59 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 2uua n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uua n GLY 34 N 1.43 1.99 3.90 2.72 0.00 -0.90 -4.67 105.19 109.65 2uua n GLY 34 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2uua n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua s ALA 35 N -2.00 2.93 -0.31 4.61 0.00 -0.49 -4.18 121.76 122.32 2uua s ALA 35 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.44 2uua s ALA 35 Cb 0.00 -2.88 0.18 0.00 0.00 0.00 0.00 23.12 20.42 2uua s ALA 35 CO 0.00 -1.25 0.53 0.50 0.00 0.00 0.00 175.76 175.54 2uua s ARG 36 N -5.34 0.56 0.16 0.00 3.52 -1.02 -4.76 118.95 112.07 2uua s ARG 36 Ca 0.59 0.23 -0.31 0.00 -0.13 0.00 0.00 55.73 56.10 2uua s ARG 36 Cb -0.11 0.02 -0.11 0.00 -1.56 0.00 0.00 34.95 33.19 2uua s ARG 36 CO 0.49 -1.08 1.72 0.08 -0.81 0.00 0.00 175.30 175.70 2uua s VAL 37 N 2.52 2.40 -0.03 7.11 1.01 -1.26 -2.93 120.40 129.22 2uua s VAL 37 Ca 0.11 0.16 0.15 0.00 0.00 0.00 0.00 61.98 62.40 2uua s VAL 37 Cb -0.10 -3.10 -0.23 0.00 0.00 0.00 0.00 36.38 32.95 2uua s VAL 37 CO -0.23 0.01 0.31 -0.62 0.00 0.00 0.00 175.10 174.57 2uua n GLU 38 N 4.69 0.58 0.00 2.72 1.02 -1.15 -4.97 120.64 123.53 2uua n GLU 38 Ca 0.16 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2uua n GLU 38 Cb 0.37 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2uua n GLU 38 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2uua n LYS 39 N -2.08 0.00 -4.39 3.49 2.85 -1.26 -4.98 118.16 111.79 2uua n LYS 39 Ca -0.05 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.97 2uua n LYS 39 Cb 0.46 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.72 2uua n LYS 39 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2uua s VAL 40 N -1.05 2.16 -0.40 0.58 0.11 -1.26 -0.95 120.40 119.58 2uua s VAL 40 Ca 0.00 -2.04 0.03 0.00 -2.93 0.00 0.00 61.98 57.05 2uua s VAL 40 Cb 0.00 -2.04 0.16 0.00 -1.53 0.00 0.00 36.38 32.98 2uua s VAL 40 CO 0.00 -0.23 0.33 -1.61 -3.33 0.00 0.00 175.10 170.25 2uua s GLU 41 N -2.83 0.83 -1.14 1.54 2.02 0.24 -5.00 118.70 114.36 2uua s GLU 41 Ca 0.20 -1.91 -0.22 0.00 0.02 0.00 0.00 54.97 53.06 2uua s GLU 41 Cb -0.07 -1.34 -0.03 0.00 0.10 0.00 0.00 34.13 32.80 2uua s GLU 41 CO 0.09 -1.35 1.83 -2.00 0.02 0.00 0.00 175.26 173.86 2uua s GLU 42 N 0.30 3.00 0.00 1.61 2.12 -1.26 -3.41 118.70 121.06 2uua s GLU 42 Ca 0.30 -1.20 0.17 0.00 0.36 0.00 0.00 54.97 54.60 2uua s GLU 42 Cb -0.02 -5.30 0.95 0.00 0.26 0.00 0.00 34.13 30.03 2uua s GLU 42 CO -0.15 -3.25 1.48 1.28 -0.54 0.00 0.00 175.26 174.08 2uua n LEU 43 N 12.22 0.00 0.00 2.70 7.99 -1.13 -4.95 117.00 133.83 2uua n LEU 43 Ca 0.44 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.59 2uua n LEU 43 Cb 0.47 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 2uua n LEU 43 CO 0.68 -0.07 0.00 0.61 -1.51 0.00 0.00 177.39 177.11 2uua n GLY 44 N 0.13 2.33 3.83 -0.72 0.00 -1.07 -4.77 105.19 104.92 2uua n GLY 44 Ca 0.11 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2uua n GLY 44 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2uua s LEU 45 N 0.00 4.08 0.09 0.99 0.05 -1.25 0.34 118.68 122.97 2uua s LEU 45 Ca 0.00 0.21 -0.05 0.00 0.05 0.00 0.00 54.13 54.33 2uua s LEU 45 Cb 0.00 -2.46 -0.02 0.00 -2.05 0.00 0.00 46.19 41.66 2uua s LEU 45 CO 0.00 0.25 0.11 -0.60 -0.55 0.00 0.00 176.35 175.56 2uua s ARG 46 N -1.94 0.80 -0.47 1.48 3.52 -0.80 -4.95 118.95 116.59 2uua s ARG 46 Ca 0.26 -1.11 -0.28 0.00 -0.13 0.00 0.00 55.73 54.47 2uua s ARG 46 Cb -0.12 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2uua s ARG 46 CO 0.17 -0.23 1.51 1.03 -0.81 0.00 0.00 175.30 176.98 2uua s ARG 47 N -3.91 3.36 0.93 5.12 1.81 -1.26 -2.46 118.95 122.55 2uua s ARG 47 Ca 0.08 0.81 -0.11 0.00 -1.72 0.00 0.00 55.73 54.80 2uua s ARG 47 Cb 0.06 -4.12 0.12 0.00 -0.45 0.00 0.00 34.95 30.57 2uua s ARG 47 CO -0.09 -1.84 0.96 1.28 -0.68 0.00 0.00 175.30 174.93 2uua n LEU 48 N 9.65 2.37 0.06 2.53 4.77 -0.31 -4.91 117.00 131.16 2uua n LEU 48 Ca 0.16 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 2uua n LEU 48 Cb 0.49 -1.41 0.30 0.00 -2.33 0.00 0.00 43.42 40.47 2uua n LEU 48 CO 0.70 -2.55 0.58 0.00 -1.33 0.00 0.00 177.39 174.80 2uua n ALA 49 N -4.11 2.76 -3.56 -1.18 0.00 -1.26 -4.85 120.51 108.31 2uua n ALA 49 Ca 0.11 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 2uua n ALA 49 Cb 0.52 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 2uua n ALA 49 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2uua s TYR 50 N -3.11 -0.71 -0.03 0.00 1.13 -1.26 -5.13 117.35 108.25 2uua s TYR 50 Ca 0.09 1.44 -0.34 0.00 -1.41 0.00 0.00 57.07 56.85 2uua s TYR 50 Cb 0.14 0.35 -0.12 0.00 -1.10 0.00 0.00 41.96 41.24 2uua s TYR 50 CO 0.66 -0.52 1.84 -0.35 -2.51 0.00 0.00 175.55 174.68 2uua n PRO 51 N 1.61 2.28 -4.45 -3.49 -0.04 -1.26 -4.90 135.00 124.76 2uua n PRO 51 Ca -0.17 0.83 -0.34 0.00 -0.04 0.00 0.00 63.50 63.79 2uua n PRO 51 Cb 0.56 -2.68 -0.14 0.00 -0.04 0.00 0.00 33.50 31.20 2uua n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2uua s ILE 52 N 3.57 3.17 -1.60 0.52 1.01 -0.47 -4.49 121.20 122.91 2uua s ILE 52 Ca 0.90 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 2uua s ILE 52 Cb -0.65 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.45 2uua s ILE 52 CO 0.48 0.49 0.46 0.00 0.00 0.00 0.00 174.94 176.37 2uua n ALA 53 N 3.96 -0.90 -0.91 9.38 0.00 -1.26 -1.17 120.51 129.62 2uua n ALA 53 Ca -0.18 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2uua n ALA 53 Cb 0.52 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.54 2uua n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2uua n LYS 54 N -3.78 -0.57 -4.08 0.00 4.76 -1.26 -5.00 118.16 108.24 2uua n LYS 54 Ca -0.14 0.14 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 2uua n LYS 54 Cb 0.63 -3.74 -0.06 0.00 -1.84 0.00 0.00 35.03 30.02 2uua n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2uua s ASP 55 N -2.21 5.52 0.00 4.39 1.01 -0.31 -5.00 116.67 120.07 2uua s ASP 55 Ca 0.00 -0.11 0.25 0.00 0.71 0.00 0.00 52.55 53.41 2uua s ASP 55 Cb 0.00 -1.45 0.57 0.00 1.01 0.00 0.00 42.92 43.05 2uua s ASP 55 CO 0.00 0.09 1.47 -0.81 0.21 0.00 0.00 175.17 176.13 2uua n PRO 56 N -0.20 2.05 -4.13 8.23 -0.04 -1.26 -1.37 135.00 138.29 2uua n PRO 56 Ca -0.08 -1.54 -0.10 0.00 -0.04 0.00 0.00 63.50 61.74 2uua n PRO 56 Cb 0.54 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 2uua n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2uua s GLN 57 N -1.94 1.02 0.02 0.54 -0.21 -1.26 -1.17 119.66 116.66 2uua s GLN 57 Ca 0.33 -1.44 -0.15 0.00 0.02 0.00 0.00 55.36 54.11 2uua s GLN 57 Cb 0.20 0.27 0.03 0.00 1.00 0.00 0.00 33.01 34.51 2uua s GLN 57 CO 0.31 -0.31 0.34 0.20 -2.12 0.00 0.00 175.29 173.71 2uua s GLY 58 N -3.06 -0.17 -0.49 3.09 0.00 -1.03 -4.48 107.32 101.19 2uua s GLY 58 Ca 0.26 0.22 -0.16 0.00 0.00 0.00 0.00 44.72 45.04 2uua s GLY 58 CO 0.04 -0.01 0.43 -0.47 0.00 0.00 0.00 173.10 173.09 2uua s TYR 59 N -2.05 3.23 0.03 1.90 5.04 0.67 -1.91 117.35 124.26 2uua s TYR 59 Ca -0.08 -0.97 -0.27 0.00 -2.44 0.00 0.00 57.07 53.31 2uua s TYR 59 Cb -0.02 -3.31 -0.05 0.00 0.35 0.00 0.00 41.96 38.93 2uua s TYR 59 CO 0.00 -0.85 0.84 -0.06 -1.34 0.00 0.00 175.55 174.14 2uua s PHE 60 N 1.70 3.71 -0.01 4.97 0.40 1.03 0.14 117.98 129.92 2uua s PHE 60 Ca 0.05 1.56 0.06 0.00 -0.60 0.00 0.00 56.93 58.00 2uua s PHE 60 Cb -0.25 -2.93 -0.02 0.00 0.51 0.00 0.00 43.02 40.33 2uua s PHE 60 CO 0.06 0.17 -0.20 -0.51 0.70 0.00 0.00 175.22 175.44 2uua s LEU 61 N 0.31 2.04 -0.05 -0.37 1.43 0.16 -2.60 118.68 119.60 2uua s LEU 61 Ca 0.43 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2uua s LEU 61 Cb -0.21 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.00 2uua s LEU 61 CO 0.25 0.25 0.08 0.86 0.23 0.00 0.00 176.35 178.02 2uua s TRP 62 N -0.48 -0.03 -0.05 0.29 -0.00 -1.22 -1.40 118.94 116.04 2uua s TRP 62 Ca 0.08 0.33 0.04 0.00 -0.00 0.00 0.00 56.10 56.54 2uua s TRP 62 Cb -0.08 -0.32 0.00 0.00 -0.00 0.00 0.00 33.47 33.08 2uua s TRP 62 CO -0.01 -0.18 -0.16 0.71 -0.00 0.00 0.00 176.95 177.32 2uua s TYR 63 N 1.77 1.65 -1.01 5.86 2.02 -1.24 -0.59 117.35 125.81 2uua s TYR 63 Ca -0.01 -0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 56.12 2uua s TYR 63 Cb -0.12 -1.14 0.28 0.00 -0.40 0.00 0.00 41.96 40.58 2uua s TYR 63 CO -0.04 -0.21 1.14 0.94 -1.57 0.00 0.00 175.55 175.82 2uua n GLN 64 N 3.36 3.59 -0.51 -0.62 7.27 -0.13 -1.64 117.38 128.70 2uua n GLN 64 Ca -0.19 -4.52 0.00 0.00 0.07 0.00 0.00 57.00 52.35 2uua n GLN 64 Cb 0.53 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.70 2uua n GLN 64 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2uua n VAL 65 N 1.90 0.00 -3.78 1.69 0.24 -1.03 -2.95 118.33 114.41 2uua n VAL 65 Ca 0.25 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.42 2uua n VAL 65 Cb 0.37 -1.48 -0.13 0.00 -1.47 0.00 0.00 33.84 31.13 2uua n VAL 65 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2uua s GLU 66 N -2.43 0.21 0.33 7.34 2.12 -1.15 -1.78 118.70 123.34 2uua s GLU 66 Ca 0.00 0.36 -0.18 0.00 0.36 0.00 0.00 54.97 55.51 2uua s GLU 66 Cb 0.00 0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.47 2uua s GLU 66 CO 0.00 -0.08 0.82 0.00 -0.54 0.00 0.00 175.26 175.46 2uua s MET 67 N 0.52 1.99 -0.64 4.30 0.23 -0.46 -2.44 119.30 122.80 2uua s MET 67 Ca -0.03 -1.24 -0.28 0.00 -1.03 0.00 0.00 55.69 53.11 2uua s MET 67 Cb -0.05 0.58 0.02 0.00 -1.53 0.00 0.00 34.83 33.86 2uua s MET 67 CO -0.03 -0.93 1.33 -1.25 -2.03 0.00 0.00 175.02 172.11 2uua s PRO 68 N -2.65 3.28 0.09 3.16 0.04 -1.26 -0.40 135.00 137.27 2uua s PRO 68 Ca 0.15 0.15 -0.10 0.00 0.04 0.00 0.00 61.00 61.24 2uua s PRO 68 Cb -0.05 -4.13 0.06 0.00 0.04 0.00 0.00 34.50 30.43 2uua s PRO 68 CO 0.09 -1.99 0.71 0.39 0.04 0.00 0.00 177.00 176.25 2uua n GLU 69 N 8.89 -0.14 0.00 4.56 4.71 -1.26 0.06 120.64 137.46 2uua n GLU 69 Ca 0.08 0.70 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 2uua n GLU 69 Cb 0.49 -1.04 0.00 0.00 -1.01 0.00 0.00 31.44 29.88 2uua n GLU 69 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2uua n ASP 70 N -4.64 0.00 -0.01 1.62 5.75 -1.26 -0.81 116.55 117.20 2uua n ASP 70 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 2uua n ASP 70 Cb 0.16 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 2uua n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2uua n ARG 71 N -0.68 1.53 -0.36 0.11 5.12 0.11 -4.75 116.66 117.74 2uua n ARG 71 Ca 0.00 -0.02 0.04 0.00 -1.93 0.00 0.00 57.85 55.94 2uua n ARG 71 Cb 0.00 -1.09 0.11 0.00 -1.16 0.00 0.00 32.46 30.32 2uua n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2uua n VAL 72 N -1.85 -0.44 -0.02 1.55 0.31 0.01 0.37 118.33 118.25 2uua n VAL 72 Ca -0.03 2.29 -0.13 0.00 -0.01 0.00 0.00 64.34 66.46 2uua n VAL 72 Cb 0.32 -3.13 -0.09 0.00 -0.91 0.00 0.00 33.84 30.04 2uua n VAL 72 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2uua h ASN 73 N 0.00 0.10 -0.64 4.52 2.35 -1.87 -1.99 115.58 118.05 2uua h ASN 73 Ca 0.44 -0.44 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2uua h ASN 73 Cb 0.69 -0.03 -0.09 0.00 0.05 0.00 0.00 38.32 38.95 2uua h ASN 73 CO -1.01 0.51 0.17 -0.78 -1.65 0.00 0.00 177.43 174.67 2uua h ASP 74 N -0.32 0.07 0.32 5.81 1.82 -1.30 0.15 116.42 122.97 2uua h ASP 74 Ca 0.01 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2uua h ASP 74 Cb 0.48 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.63 2uua h ASP 74 CO 0.01 0.03 -0.16 0.25 -1.61 0.00 0.00 179.24 177.76 2uua h LEU 75 N 0.30 -0.37 -0.49 2.28 6.46 -0.07 -2.76 115.31 120.66 2uua h LEU 75 Ca 0.34 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 58.05 2uua h LEU 75 Cb 0.50 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.47 2uua h LEU 75 CO -0.40 -0.10 0.18 0.00 -0.62 0.00 0.00 178.44 177.50 2uua h ALA 76 N -0.04 0.60 -0.97 1.25 0.00 -0.95 0.99 119.26 120.14 2uua h ALA 76 Ca -0.04 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.11 2uua h ALA 76 Cb 0.46 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 2uua h ALA 76 CO 0.07 -0.21 0.61 -0.09 0.00 0.00 0.00 179.25 179.63 2uua h ARG 77 N 0.36 0.67 0.39 0.00 1.12 -0.67 -1.80 114.38 114.45 2uua h ARG 77 Ca 0.23 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.04 2uua h ARG 77 Cb 0.24 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 2uua h ARG 77 CO -0.23 0.44 -0.19 1.49 -3.11 0.00 0.00 179.97 178.37 2uua h GLU 78 N 0.69 -0.50 -0.87 0.20 4.57 -0.56 -3.11 114.58 115.00 2uua h GLU 78 Ca 0.53 0.03 0.22 0.00 -1.18 0.00 0.00 59.36 58.97 2uua h GLU 78 Cb 0.92 0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 29.50 2uua h GLU 78 CO -0.30 -0.22 0.33 -0.07 -1.18 0.00 0.00 179.01 177.56 2uua h LEU 79 N -0.74 0.21 0.00 1.64 3.38 -0.40 0.46 115.31 119.85 2uua h LEU 79 Ca -0.05 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2uua h LEU 79 Cb 0.51 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2uua h LEU 79 CO 0.09 -0.05 0.00 0.54 0.09 0.00 0.00 178.44 179.11 2uua n ARG 80 N -5.11 0.00 0.13 1.13 1.74 -0.88 -2.94 116.66 110.73 2uua n ARG 80 Ca 0.21 0.49 0.01 0.00 -0.77 0.00 0.00 57.85 57.79 2uua n ARG 80 Cb 0.65 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.91 2uua n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2uua h ILE 81 N 0.00 1.24 -4.23 0.55 2.04 -0.99 -3.44 117.51 112.68 2uua h ILE 81 Ca 0.00 -1.16 -0.52 0.00 1.00 0.00 0.00 64.86 64.18 2uua h ILE 81 Cb 0.01 1.50 0.15 0.00 -0.74 0.00 0.00 36.82 37.74 2uua h ILE 81 CO 0.00 0.34 0.34 -0.13 0.00 0.00 0.00 178.15 178.70 2uua s ARG 82 N -4.38 2.08 0.01 2.37 1.81 -1.15 -4.96 118.95 114.73 2uua s ARG 82 Ca -0.04 1.50 0.19 0.00 -1.72 0.00 0.00 55.73 55.66 2uua s ARG 82 Cb 0.14 -1.85 -0.19 0.00 -0.45 0.00 0.00 34.95 32.61 2uua s ARG 82 CO 0.74 -1.82 0.64 -0.25 -0.68 0.00 0.00 175.30 173.92 2uua n ASP 83 N -3.14 0.49 0.12 0.23 9.92 -1.26 -3.83 116.55 119.07 2uua n ASP 83 Ca 0.11 0.21 0.13 0.00 -0.53 0.00 0.00 54.79 54.71 2uua n ASP 83 Cb 0.52 0.82 0.29 0.00 -0.64 0.00 0.00 41.12 42.11 2uua n ASP 83 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 2uua h ASN 84 N 0.00 0.00 -3.37 -2.24 2.35 -1.96 -3.40 115.58 106.96 2uua h ASN 84 Ca -0.17 -0.04 -0.65 0.00 -0.55 0.00 0.00 56.30 54.90 2uua h ASN 84 Cb 1.46 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.68 2uua h ASN 84 CO 0.02 0.02 0.26 -0.69 -1.65 0.00 0.00 177.43 175.40 2uua s VAL 85 N -3.15 4.69 -1.00 2.81 1.01 -1.25 0.10 120.40 123.61 2uua s VAL 85 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.16 2uua s VAL 85 Cb 0.11 -4.35 0.16 0.00 0.00 0.00 0.00 36.38 32.30 2uua s VAL 85 CO 0.65 -0.84 1.00 -2.11 0.00 0.00 0.00 175.10 173.80 2uua n ARG 86 N 6.66 1.54 -3.64 2.72 1.85 -0.93 -4.70 116.66 120.15 2uua n ARG 86 Ca -0.02 -1.50 -0.10 0.00 -1.00 0.00 0.00 57.85 55.24 2uua n ARG 86 Cb 0.47 -1.21 -0.07 0.00 -1.05 0.00 0.00 32.46 30.60 2uua n ARG 86 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2uua s ARG 87 N -0.89 0.74 -0.06 2.89 1.81 -1.18 -4.97 118.95 117.28 2uua s ARG 87 Ca 0.15 1.10 -0.02 0.00 -1.72 0.00 0.00 55.73 55.24 2uua s ARG 87 Cb 0.09 0.24 0.03 0.00 -0.45 0.00 0.00 34.95 34.86 2uua s ARG 87 CO 0.13 -0.13 0.05 0.08 -0.68 0.00 0.00 175.30 174.75 2uua s VAL 88 N 1.11 -0.01 -0.29 3.52 1.01 -1.26 -2.40 120.40 122.08 2uua s VAL 88 Ca -0.06 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 2uua s VAL 88 Cb -0.05 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 36.16 2uua s VAL 88 CO -0.11 0.15 0.09 -0.32 0.00 0.00 0.00 175.10 174.91 2uua s MET 89 N 2.13 0.70 -0.19 2.72 0.00 -0.31 -5.00 119.30 119.35 2uua s MET 89 Ca 0.05 -0.95 -0.10 0.00 0.00 0.00 0.00 55.69 54.69 2uua s MET 89 Cb -0.12 -1.97 -0.05 0.00 0.00 0.00 0.00 34.83 32.68 2uua s MET 89 CO -0.04 -0.93 0.13 0.08 0.00 0.00 0.00 175.02 174.26 2uua s VAL 90 N 1.67 5.42 -0.07 10.11 1.01 -1.26 0.38 120.40 137.66 2uua s VAL 90 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2uua s VAL 90 Cb -0.17 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.77 2uua s VAL 90 CO -0.23 0.46 -0.06 -0.69 0.00 0.00 0.00 175.10 174.59 2uua s VAL 91 N 0.19 0.75 0.02 2.92 1.01 0.45 -4.92 120.40 120.82 2uua s VAL 91 Ca 0.09 -0.17 -0.36 0.00 0.00 0.00 0.00 61.98 61.54 2uua s VAL 91 Cb -0.11 -0.78 -0.15 0.00 0.00 0.00 0.00 36.38 35.34 2uua s VAL 91 CO -0.01 0.30 1.59 0.29 0.00 0.00 0.00 175.10 177.26 2uua n LYS 92 N 4.54 1.69 -1.97 2.72 5.02 -1.26 -1.15 118.16 127.74 2uua n LYS 92 Ca -0.17 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.36 2uua n LYS 92 Cb 0.51 -2.34 0.02 0.00 -0.02 0.00 0.00 35.03 33.19 2uua n LYS 92 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2uua s SER 93 N 1.77 5.57 0.08 4.39 0.01 0.06 -4.87 113.70 120.70 2uua s SER 93 Ca 0.86 2.56 0.02 0.00 1.31 0.00 0.00 55.95 60.70 2uua s SER 93 Cb -0.83 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 62.75 2uua s SER 93 CO 0.47 -1.35 -0.07 -1.10 0.41 0.00 0.00 173.24 171.61 2uua s GLN 94 N -2.88 0.75 0.18 12.44 -0.21 -1.26 -4.96 119.66 123.70 2uua s GLN 94 Ca 0.69 -1.18 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 2uua s GLN 94 Cb -0.35 -0.21 -0.08 0.00 1.00 0.00 0.00 33.01 33.37 2uua s GLN 94 CO 0.41 -0.00 1.19 -1.21 -2.12 0.00 0.00 175.29 173.56 2uua s GLU 95 N -3.24 4.50 0.62 2.91 0.41 -1.26 -4.96 118.70 117.68 2uua s GLU 95 Ca 0.06 1.85 -0.18 0.00 -0.41 0.00 0.00 54.97 56.28 2uua s GLU 95 Cb 0.01 -3.25 -0.03 0.00 -1.78 0.00 0.00 34.13 29.08 2uua s GLU 95 CO -0.04 -0.08 1.15 -0.35 -0.49 0.00 0.00 175.26 175.46 2uua n PRO 96 N 2.59 1.06 -3.62 0.39 -0.04 -1.26 -4.93 135.00 129.18 2uua n PRO 96 Ca 0.04 0.41 -0.34 0.00 -0.04 0.00 0.00 63.50 63.58 2uua n PRO 96 Cb 0.45 -2.37 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 2uua n PRO 96 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2uua n PHE 97 N -1.77 3.85 -0.91 0.54 7.35 -1.26 -5.07 117.46 120.18 2uua n PHE 97 Ca 0.15 -4.07 -0.35 0.00 -0.76 0.00 0.00 57.45 52.42 2uua n PHE 97 Cb 0.47 -0.98 0.07 0.00 0.35 0.00 0.00 39.48 39.40 2uua n PHE 97 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2uua n LEU 98 N 1.99 -3.59 -3.61 -2.13 4.77 -1.26 -5.01 117.00 108.15 2uua n LEU 98 Ca 0.23 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 2uua n LEU 98 Cb 0.37 -0.94 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 2uua n LEU 98 CO 0.37 -4.96 0.67 0.00 -1.33 0.00 0.00 177.39 172.14 2uua s ALA 99 N -2.16 -1.91 -1.29 -1.18 0.00 -1.26 -4.92 121.76 109.04 2uua s ALA 99 Ca 0.47 1.79 -0.07 0.00 0.00 0.00 0.00 51.96 54.15 2uua s ALA 99 Cb -0.19 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.83 2uua s ALA 99 CO 0.76 -0.28 1.12 -1.71 0.00 0.00 0.00 175.76 175.65 2uua n ASN 100 N 1.87 -5.58 0.00 0.00 5.15 -1.26 -5.34 115.26 110.10 2uua n ASN 100 Ca -0.13 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 2uua n ASN 100 Cb 0.56 -4.90 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 2uua n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66