#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n PHE 2 N 0.00 -0.01 0.00 2.03 0.99 -1.26 -3.74 117.46 115.46 2aw4 n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2aw4 n PHE 2 Cb 0.00 0.10 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 2aw4 n PHE 2 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2aw4 n THR 3 N 0.00 0.00 -3.10 4.37 -2.24 -1.26 -4.71 114.28 107.33 2aw4 n THR 3 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2aw4 n THR 3 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2aw4 n THR 3 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2aw4 n ILE 4 N -0.26 -0.64 -1.98 2.28 5.41 0.50 -4.76 119.36 119.90 2aw4 n ILE 4 Ca 0.00 -2.72 -0.41 0.00 1.00 0.00 0.00 62.75 60.62 2aw4 n ILE 4 Cb 0.00 -0.65 -0.02 0.00 -0.71 0.00 0.00 39.64 38.26 2aw4 n ILE 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2aw4 s ASN 5 N -0.29 6.60 0.20 4.38 4.22 -1.26 0.26 114.94 129.05 2aw4 s ASN 5 Ca 0.33 2.77 -0.22 0.00 -2.14 0.00 0.00 52.86 53.59 2aw4 s ASN 5 Cb 0.09 -2.64 0.07 0.00 1.28 0.00 0.00 41.25 40.05 2aw4 s ASN 5 CO -0.15 -0.71 0.97 0.00 -2.04 0.00 0.00 177.10 175.17 2aw4 s ALA 6 N -0.52 -1.50 0.00 3.54 0.00 0.72 -4.54 121.76 119.47 2aw4 s ALA 6 Ca 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2aw4 s ALA 6 Cb -0.43 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2aw4 s ALA 6 CO 0.50 -1.05 0.00 0.39 0.00 0.00 0.00 175.76 175.60 2aw4 n GLU 7 N -0.58 3.73 -5.13 0.00 -0.58 -1.01 -4.28 120.64 112.80 2aw4 n GLU 7 Ca -0.05 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.40 2aw4 n GLU 7 Cb 0.60 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.31 2aw4 n GLU 7 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2aw4 s VAL 8 N 2.94 1.91 0.06 2.62 1.01 -1.26 -4.06 120.40 123.62 2aw4 s VAL 8 Ca 0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 2aw4 s VAL 8 Cb 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 2aw4 s VAL 8 CO 0.00 0.50 1.92 -0.60 0.00 0.00 0.00 175.10 176.92 2aw4 s ARG 9 N -0.68 4.14 0.00 2.72 3.00 -1.21 -4.71 118.95 122.20 2aw4 s ARG 9 Ca 0.09 2.60 0.00 0.00 -1.00 0.00 0.00 55.73 57.43 2aw4 s ARG 9 Cb -0.09 -4.00 0.00 0.00 0.00 0.00 0.00 34.95 30.86 2aw4 s ARG 9 CO -0.00 -0.92 0.27 1.17 0.00 0.00 0.00 175.30 175.82 2aw4 n LYS 10 N 7.00 0.00 -1.83 5.12 4.81 -1.26 -4.97 118.16 127.03 2aw4 n LYS 10 Ca 0.19 0.38 -0.09 0.00 -0.87 0.00 0.00 58.31 57.93 2aw4 n LYS 10 Cb 0.40 -1.04 0.03 0.00 0.02 0.00 0.00 35.03 34.45 2aw4 n LYS 10 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2aw4 n GLU 11 N -1.65 0.77 -3.97 1.64 1.02 -1.26 -5.14 120.64 112.04 2aw4 n GLU 11 Ca 0.00 -1.35 -0.13 0.00 -0.02 0.00 0.00 57.16 55.66 2aw4 n GLU 11 Cb 0.00 -0.13 -0.14 0.00 -0.02 0.00 0.00 31.44 31.16 2aw4 n GLU 11 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2aw4 s GLN 12 N -3.20 0.18 0.00 3.49 2.00 -1.26 -4.98 119.66 115.88 2aw4 s GLN 12 Ca 0.27 -0.14 0.00 0.00 -2.00 0.00 0.00 55.36 53.49 2aw4 s GLN 12 Cb -0.02 -0.13 0.00 0.00 0.80 0.00 0.00 33.01 33.66 2aw4 s GLN 12 CO 0.17 0.03 0.00 0.41 -0.50 0.00 0.00 175.29 175.40 2aw4 n GLY 13 N 2.85 2.13 0.37 2.59 0.00 -1.26 -4.74 105.19 107.12 2aw4 n GLY 13 Ca -0.14 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 43.94 2aw4 n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2aw4 h LYS 14 N 0.00 0.90 0.00 1.61 3.64 -2.00 -2.95 116.57 117.77 2aw4 h LYS 14 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2aw4 h LYS 14 Cb 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2aw4 h LYS 14 CO 0.00 0.59 0.00 0.41 -2.27 0.00 0.00 179.45 178.18 2aw4 n GLY 15 N -1.37 -3.21 0.32 5.01 0.00 -1.26 -2.12 105.19 102.56 2aw4 n GLY 15 Ca 0.18 0.63 -0.06 0.00 0.00 0.00 0.00 46.02 46.77 2aw4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw4 h ALA 16 N -1.27 0.98 -0.14 4.61 0.00 -1.85 -3.31 119.26 118.28 2aw4 h ALA 16 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2aw4 h ALA 16 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2aw4 h ALA 16 CO 0.00 0.61 -0.08 0.43 0.00 0.00 0.00 179.25 180.21 2aw4 n SER 17 N -4.31 -0.15 -0.29 0.00 7.64 -0.90 -0.09 113.62 115.51 2aw4 n SER 17 Ca 0.06 1.08 0.27 0.00 1.01 0.00 0.00 58.87 61.30 2aw4 n SER 17 Cb 0.19 -0.45 0.63 0.00 -1.01 0.00 0.00 64.21 63.57 2aw4 n SER 17 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2aw4 h ARG 18 N 0.00 0.19 0.01 1.43 3.08 -1.56 -0.19 114.38 117.34 2aw4 h ARG 18 Ca 0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2aw4 h ARG 18 Cb 0.06 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2aw4 h ARG 18 CO -0.13 0.13 -0.00 0.00 -1.07 0.00 0.00 179.97 178.89 2aw4 h ARG 19 N 0.20 -0.01 -0.55 0.04 3.08 -0.59 -2.89 114.38 113.65 2aw4 h ARG 19 Ca 0.54 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.69 2aw4 h ARG 19 Cb 1.76 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.77 2aw4 h ARG 19 CO -0.14 0.43 0.37 -0.07 -1.07 0.00 0.00 179.97 179.49 2aw4 h LEU 20 N -0.44 0.31 -0.88 3.04 3.38 0.88 -0.13 115.31 121.46 2aw4 h LEU 20 Ca -0.00 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2aw4 h LEU 20 Cb 0.44 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2aw4 h LEU 20 CO 0.00 0.19 -0.52 0.03 0.09 0.00 0.00 178.44 178.23 2aw4 h ARG 21 N 0.35 0.10 0.00 1.13 3.08 -1.08 -2.29 114.38 115.67 2aw4 h ARG 21 Ca 0.25 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 2aw4 h ARG 21 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2aw4 h ARG 21 CO -0.06 0.60 -0.27 0.00 -1.07 0.00 0.00 179.97 179.17 2aw4 h ALA 22 N 1.39 1.34 -0.89 0.04 0.00 -0.81 -2.18 119.26 118.15 2aw4 h ALA 22 Ca -0.00 -0.24 -0.51 0.00 0.00 0.00 0.00 54.91 54.16 2aw4 h ALA 22 Cb 0.95 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 18.42 2aw4 h ALA 22 CO 0.07 0.33 0.65 0.00 0.00 0.00 0.00 179.25 180.31 2aw4 n ALA 23 N -2.39 5.54 0.00 0.00 0.00 -0.98 -4.91 120.51 117.77 2aw4 n ALA 23 Ca -0.02 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.67 2aw4 n ALA 23 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2aw4 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2aw4 n ASN 24 N -0.87 0.00 -4.26 0.00 4.13 -0.82 -4.88 115.26 108.56 2aw4 n ASN 24 Ca 0.54 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.47 2aw4 n ASN 24 Cb 1.26 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 39.63 2aw4 n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2aw4 n LYS 25 N 0.00 -1.02 -3.43 3.52 5.02 -0.90 -2.65 118.16 118.71 2aw4 n LYS 25 Ca 0.00 -0.28 -0.12 0.00 -2.02 0.00 0.00 58.31 55.89 2aw4 n LYS 25 Cb 0.00 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 2aw4 n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2aw4 s PHE 26 N -2.23 -0.53 1.14 2.13 -0.12 -0.60 -2.49 117.98 115.27 2aw4 s PHE 26 Ca 0.53 0.35 -0.13 0.00 -0.05 0.00 0.00 56.93 57.63 2aw4 s PHE 26 Cb -0.12 0.55 0.27 0.00 -0.63 0.00 0.00 43.02 43.09 2aw4 s PHE 26 CO 0.67 -0.82 1.04 -1.25 -0.05 0.00 0.00 175.22 174.82 2aw4 s PRO 27 N -3.60 -0.69 0.00 1.99 0.04 -1.24 -2.63 135.00 128.87 2aw4 s PRO 27 Ca 0.01 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2aw4 s PRO 27 Cb -0.01 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2aw4 s PRO 27 CO -0.12 -3.52 0.00 0.00 0.04 0.00 0.00 177.00 173.40 2aw4 n ALA 28 N -4.75 0.00 -2.86 8.56 0.00 -1.04 -4.08 120.51 116.34 2aw4 n ALA 28 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 2aw4 n ALA 28 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 2aw4 n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2aw4 s ILE 29 N -2.00 0.10 -0.05 0.00 -4.36 -1.24 -1.32 121.20 112.33 2aw4 s ILE 29 Ca 0.00 -0.83 0.02 0.00 -0.26 0.00 0.00 60.65 59.58 2aw4 s ILE 29 Cb 0.00 -1.09 0.02 0.00 1.25 0.00 0.00 42.46 42.64 2aw4 s ILE 29 CO 0.00 -0.46 -0.08 -0.63 0.24 0.00 0.00 174.94 174.01 2aw4 s ILE 30 N -3.14 0.82 0.21 8.37 1.01 -0.87 -2.12 121.20 125.49 2aw4 s ILE 30 Ca -0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 2aw4 s ILE 30 Cb 0.01 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.74 2aw4 s ILE 30 CO -0.07 0.28 0.61 -0.72 0.00 0.00 0.00 174.94 175.04 2aw4 s TYR 31 N 0.72 -0.26 0.00 3.97 -0.85 -1.22 -0.46 117.35 119.25 2aw4 s TYR 31 Ca -0.12 -0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 2aw4 s TYR 31 Cb -0.14 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.74 2aw4 s TYR 31 CO 0.02 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 173.45 2aw4 n GLY 32 N -0.39 3.48 2.17 5.49 0.00 -1.26 -2.02 105.19 112.66 2aw4 n GLY 32 Ca -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2aw4 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aw4 n GLY 33 N 0.00 -1.82 1.60 -0.02 0.00 -1.26 -4.35 105.19 99.33 2aw4 n GLY 33 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2aw4 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aw4 n LYS 34 N -0.00 0.57 -3.76 1.61 5.02 -1.26 -4.61 118.16 115.72 2aw4 n LYS 34 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2aw4 n LYS 34 Cb 0.00 -1.21 -0.17 0.00 -0.02 0.00 0.00 35.03 33.63 2aw4 n LYS 34 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2aw4 s GLU 35 N 0.79 0.70 0.82 1.97 1.03 -1.26 -5.14 118.70 117.61 2aw4 s GLU 35 Ca 0.00 -0.18 -0.13 0.00 0.03 0.00 0.00 54.97 54.68 2aw4 s GLU 35 Cb 0.00 -1.59 0.07 0.00 -0.80 0.00 0.00 34.13 31.82 2aw4 s GLU 35 CO 0.00 -0.47 1.07 0.00 -1.33 0.00 0.00 175.26 174.54 2aw4 n ALA 36 N 5.08 -0.43 -1.04 -0.84 0.00 -1.26 -4.02 120.51 118.01 2aw4 n ALA 36 Ca -0.08 -0.36 -0.35 0.00 0.00 0.00 0.00 53.44 52.64 2aw4 n ALA 36 Cb 0.49 -2.17 0.08 0.00 0.00 0.00 0.00 19.45 17.84 2aw4 n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2aw4 n PRO 37 N -3.01 0.00 -3.40 0.00 -0.02 -1.26 -4.83 135.00 122.50 2aw4 n PRO 37 Ca 0.13 0.04 -0.20 0.00 -2.02 0.00 0.00 63.50 61.44 2aw4 n PRO 37 Cb 0.51 -1.65 -0.09 0.00 -0.02 0.00 0.00 33.50 32.24 2aw4 n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2aw4 s LEU 38 N 1.16 0.20 0.14 2.45 2.96 0.39 -4.93 118.68 121.04 2aw4 s LEU 38 Ca 0.57 -1.61 -0.30 0.00 -0.22 0.00 0.00 54.13 52.57 2aw4 s LEU 38 Cb -0.28 0.28 -0.07 0.00 0.50 0.00 0.00 46.19 46.62 2aw4 s LEU 38 CO 0.66 -0.30 1.20 0.00 -1.32 0.00 0.00 176.35 176.59 2aw4 s ALA 39 N 1.49 3.42 0.36 5.97 0.00 -1.26 -2.05 121.76 129.69 2aw4 s ALA 39 Ca 0.16 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.08 2aw4 s ALA 39 Cb -0.17 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 2aw4 s ALA 39 CO -0.08 -0.38 0.20 0.44 0.00 0.00 0.00 175.76 175.94 2aw4 n ILE 40 N 3.00 0.00 -3.91 0.00 -0.00 -0.44 -3.33 119.36 114.68 2aw4 n ILE 40 Ca 0.06 -2.31 -0.15 0.00 -0.00 0.00 0.00 62.75 60.35 2aw4 n ILE 40 Cb 0.45 0.97 -0.15 0.00 -0.00 0.00 0.00 39.64 40.91 2aw4 n ILE 40 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2aw4 s GLU 41 N -3.41 0.16 0.08 6.28 -1.05 -1.26 -2.48 118.70 117.02 2aw4 s GLU 41 Ca 0.28 0.05 0.06 0.00 -0.15 0.00 0.00 54.97 55.21 2aw4 s GLU 41 Cb 0.01 -0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.38 2aw4 s GLU 41 CO 0.20 -0.08 -0.17 -0.51 0.95 0.00 0.00 175.26 175.65 2aw4 s LEU 42 N 0.62 2.28 0.57 1.83 1.43 -1.08 -2.39 118.68 121.94 2aw4 s LEU 42 Ca -0.06 -0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 52.21 2aw4 s LEU 42 Cb -0.09 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 2aw4 s LEU 42 CO -0.01 -0.02 1.21 -0.62 0.23 0.00 0.00 176.35 177.14 2aw4 s ASP 43 N -1.78 5.37 0.00 2.29 -1.08 -1.26 -1.56 116.67 118.65 2aw4 s ASP 43 Ca 0.01 2.41 0.00 0.00 -0.52 0.00 0.00 52.55 54.45 2aw4 s ASP 43 Cb -0.10 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2aw4 s ASP 43 CO 0.03 -1.47 0.21 1.57 0.52 0.00 0.00 175.17 176.02 2aw4 n HIS 44 N -1.36 0.00 -0.25 -5.34 -0.00 -1.08 -2.86 115.22 104.32 2aw4 n HIS 44 Ca 0.12 0.00 0.27 0.00 -0.00 0.00 0.00 57.72 58.11 2aw4 n HIS 44 Cb 0.49 -0.36 0.41 0.00 -0.00 0.00 0.00 29.99 30.52 2aw4 n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2aw4 n ASP 45 N -1.59 0.00 0.00 0.26 8.00 -1.26 0.55 116.55 122.50 2aw4 n ASP 45 Ca 0.00 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2aw4 n ASP 45 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2aw4 n ASP 45 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2aw4 n LYS 46 N -2.99 0.00 -0.12 -1.24 3.00 -1.25 -3.76 118.16 111.80 2aw4 n LYS 46 Ca 0.22 0.14 0.20 0.00 -0.00 0.00 0.00 58.31 58.87 2aw4 n LYS 46 Cb 1.31 -0.53 0.62 0.00 0.00 0.00 0.00 35.03 36.43 2aw4 n LYS 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2aw4 h VAL 47 N 0.00 0.71 0.00 3.15 2.07 -1.26 0.61 116.25 121.53 2aw4 h VAL 47 Ca 0.00 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2aw4 h VAL 47 Cb 0.00 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2aw4 h VAL 47 CO 0.00 0.03 -0.33 -0.03 0.02 0.00 0.00 177.57 177.26 2aw4 h MET 48 N 0.18 0.00 -0.00 1.57 1.85 -0.10 -3.10 114.93 115.33 2aw4 h MET 48 Ca 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.44 2aw4 h MET 48 Cb 1.13 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.16 2aw4 h MET 48 CO -0.06 0.33 -0.90 -1.71 -0.40 0.00 0.00 176.91 174.17 2aw4 n ASN 49 N -3.58 1.20 -0.04 1.39 5.15 0.12 -4.07 115.26 115.43 2aw4 n ASN 49 Ca -0.01 -1.10 0.15 0.00 -0.60 0.00 0.00 54.58 53.03 2aw4 n ASN 49 Cb 0.46 0.90 0.85 0.00 -0.53 0.00 0.00 39.78 41.46 2aw4 n ASN 49 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2aw4 n MET 50 N -1.21 0.87 -1.16 1.20 2.81 -0.66 -3.46 117.12 115.50 2aw4 n MET 50 Ca 0.05 -0.08 -0.26 0.00 -1.81 0.00 0.00 57.70 55.60 2aw4 n MET 50 Cb 0.36 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.48 2aw4 n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2aw4 n GLN 51 N -1.00 2.30 -0.08 0.03 10.64 -1.25 -4.58 117.38 123.44 2aw4 n GLN 51 Ca 0.20 -2.79 -0.09 0.00 -1.83 0.00 0.00 57.00 52.50 2aw4 n GLN 51 Cb 0.17 -2.09 -0.02 0.00 -0.86 0.00 0.00 30.24 27.44 2aw4 n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2aw4 h ALA 52 N 1.50 0.36 -2.33 2.61 0.00 -1.87 -3.46 119.26 116.08 2aw4 h ALA 52 Ca 0.55 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 55.09 2aw4 h ALA 52 Cb 1.74 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 19.29 2aw4 h ALA 52 CO 1.20 -0.19 -0.60 0.21 0.00 0.00 0.00 179.25 179.87 2aw4 s LYS 53 N -6.17 1.45 0.64 0.00 2.36 -1.26 -5.01 119.74 111.74 2aw4 s LYS 53 Ca -0.13 -1.79 0.13 0.00 -2.55 0.00 0.00 55.97 51.63 2aw4 s LYS 53 Cb 0.10 -0.22 0.57 0.00 -1.05 0.00 0.00 37.83 37.23 2aw4 s LYS 53 CO 0.70 -0.33 1.26 0.00 1.55 0.00 0.00 175.35 178.54 2aw4 h ALA 54 N 2.35 2.21 0.00 3.13 0.00 -1.96 -2.58 119.26 122.40 2aw4 h ALA 54 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2aw4 h ALA 54 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2aw4 h ALA 54 CO 0.59 -1.11 0.35 0.39 0.00 0.00 0.00 179.25 179.47 2aw4 n GLU 55 N -2.84 0.03 0.01 0.00 1.02 -1.26 0.18 120.64 117.78 2aw4 n GLU 55 Ca 0.07 0.37 -0.19 0.00 -0.02 0.00 0.00 57.16 57.39 2aw4 n GLU 55 Cb 1.05 -1.96 -0.14 0.00 -0.02 0.00 0.00 31.44 30.38 2aw4 n GLU 55 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2aw4 h PHE 56 N 0.00 0.40 0.00 -0.32 -0.00 -1.71 -3.31 116.94 112.01 2aw4 h PHE 56 Ca 0.00 -0.30 -0.01 0.00 -0.00 0.00 0.00 57.97 57.66 2aw4 h PHE 56 Cb 0.70 -0.02 -0.00 0.00 -0.00 0.00 0.00 35.95 36.64 2aw4 h PHE 56 CO 0.00 1.62 -0.99 1.88 -0.00 0.00 0.00 178.31 180.82 2aw4 h TYR 57 N 0.06 0.00 0.00 0.41 0.99 0.17 -3.39 116.97 115.22 2aw4 h TYR 57 Ca -0.39 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.34 2aw4 h TYR 57 Cb 2.03 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.76 2aw4 h TYR 57 CO 0.06 0.04 -0.45 0.43 -0.00 0.00 0.00 178.16 178.24 2aw4 n SER 58 N -2.71 1.09 -4.77 3.88 7.64 0.23 -4.70 113.62 114.27 2aw4 n SER 58 Ca -0.00 0.18 -0.38 0.00 1.01 0.00 0.00 58.87 59.67 2aw4 n SER 58 Cb 0.57 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 2aw4 n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2aw4 s GLU 59 N -2.05 4.36 0.27 1.43 -6.30 -1.25 -4.99 118.70 110.17 2aw4 s GLU 59 Ca -0.13 1.59 -0.30 0.00 -2.50 0.00 0.00 54.97 53.63 2aw4 s GLU 59 Cb 0.02 -2.79 -0.10 0.00 0.00 0.00 0.00 34.13 31.26 2aw4 s GLU 59 CO 0.19 0.02 1.43 0.08 0.02 0.00 0.00 175.26 177.00 2aw4 s VAL 60 N -1.48 2.63 0.46 3.70 1.01 -1.26 -4.66 120.40 120.80 2aw4 s VAL 60 Ca 0.52 0.55 0.07 0.00 0.00 0.00 0.00 61.98 63.12 2aw4 s VAL 60 Cb -0.25 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 2aw4 s VAL 60 CO 0.32 0.10 0.38 -0.76 0.00 0.00 0.00 175.10 175.13 2aw4 s LEU 61 N -0.65 3.12 -0.24 3.92 1.43 -1.26 -4.63 118.68 120.37 2aw4 s LEU 61 Ca 0.58 -0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2aw4 s LEU 61 Cb -0.42 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.20 2aw4 s LEU 61 CO 0.46 -0.81 -0.00 0.42 0.23 0.00 0.00 176.35 176.64 2aw4 s THR 62 N -2.59 1.25 -1.10 5.49 -4.23 -1.25 -2.16 115.64 111.05 2aw4 s THR 62 Ca 0.43 -1.17 -0.19 0.00 -1.18 0.00 0.00 61.69 59.58 2aw4 s THR 62 Cb -0.02 -1.66 0.09 0.00 1.34 0.00 0.00 72.50 72.25 2aw4 s THR 62 CO 0.26 -0.24 1.45 -0.63 -0.54 0.00 0.00 174.62 174.91 2aw4 s ILE 63 N 1.50 4.33 -0.73 2.99 1.01 -1.26 0.19 121.20 129.23 2aw4 s ILE 63 Ca -0.01 -1.54 -0.26 0.00 0.00 0.00 0.00 60.65 58.84 2aw4 s ILE 63 Cb -0.18 -5.01 -0.15 0.00 0.01 0.00 0.00 42.46 37.13 2aw4 s ILE 63 CO -0.10 -1.82 2.46 0.52 0.00 0.00 0.00 174.94 176.01 2aw4 n VAL 64 N 6.09 -0.04 -3.81 2.92 0.31 0.14 -4.78 118.33 119.17 2aw4 n VAL 64 Ca 0.36 -0.52 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 2aw4 n VAL 64 Cb 0.48 -1.80 -0.12 0.00 -0.91 0.00 0.00 33.84 31.50 2aw4 n VAL 64 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2aw4 s VAL 65 N 10.71 0.01 0.00 2.52 -7.23 -1.26 -0.20 120.40 124.96 2aw4 s VAL 65 Ca 1.10 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 61.15 2aw4 s VAL 65 Cb -0.50 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2aw4 s VAL 65 CO 0.32 -0.07 0.00 -0.67 -0.31 0.00 0.00 175.10 174.37 2aw4 n ASP 66 N 2.68 -5.52 0.00 4.85 -0.08 -1.26 -2.57 116.55 114.64 2aw4 n ASP 66 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 2aw4 n ASP 66 Cb 0.58 -3.28 0.00 0.00 2.34 0.00 0.00 41.12 40.76 2aw4 n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2aw4 n GLY 67 N 0.90 1.82 3.78 0.27 0.00 -1.26 -4.95 105.19 105.75 2aw4 n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2aw4 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aw4 s LYS 68 N 0.00 2.27 0.63 1.61 -2.85 -1.06 -5.01 119.74 115.33 2aw4 s LYS 68 Ca 0.00 0.97 -0.16 0.00 -1.00 0.00 0.00 55.97 55.79 2aw4 s LYS 68 Cb 0.00 -1.91 -0.01 0.00 -2.06 0.00 0.00 37.83 33.84 2aw4 s LYS 68 CO 0.00 -1.57 1.10 -2.00 0.10 0.00 0.00 175.35 172.98 2aw4 s GLU 69 N -4.99 2.97 0.00 1.78 2.12 -1.26 -4.44 118.70 114.88 2aw4 s GLU 69 Ca 0.60 1.37 0.00 0.00 0.36 0.00 0.00 54.97 57.30 2aw4 s GLU 69 Cb -0.16 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.26 2aw4 s GLU 69 CO 0.56 -1.11 0.00 0.44 -0.54 0.00 0.00 175.26 174.60 2aw4 n ILE 70 N -2.23 0.00 -2.71 -3.70 -0.00 -1.26 -5.03 119.36 104.43 2aw4 n ILE 70 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.81 2aw4 n ILE 70 Cb 0.52 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.64 40.10 2aw4 n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2aw4 n LYS 71 N -1.73 -3.88 0.00 6.28 5.02 -1.25 -4.61 118.16 117.99 2aw4 n LYS 71 Ca 0.00 2.98 0.00 0.00 -2.02 0.00 0.00 58.31 59.27 2aw4 n LYS 71 Cb 0.00 -4.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.90 2aw4 n LYS 71 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2aw4 n VAL 72 N 1.92 0.00 -3.63 -0.18 0.24 -0.92 -1.51 118.33 114.25 2aw4 n VAL 72 Ca -0.33 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 61.93 2aw4 n VAL 72 Cb 0.52 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 2aw4 n VAL 72 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2aw4 s LYS 73 N 3.64 0.44 -0.61 7.34 2.36 0.18 -3.82 119.74 129.27 2aw4 s LYS 73 Ca 0.00 0.78 -0.28 0.00 -2.55 0.00 0.00 55.97 53.93 2aw4 s LYS 73 Cb 0.00 0.11 0.02 0.00 -1.05 0.00 0.00 37.83 36.91 2aw4 s LYS 73 CO 0.00 -0.10 1.35 0.00 1.55 0.00 0.00 175.35 178.15 2aw4 s ALA 74 N 1.47 2.81 -0.22 3.13 0.00 -1.26 0.11 121.76 127.80 2aw4 s ALA 74 Ca -0.09 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 2aw4 s ALA 74 Cb -0.04 -4.13 -0.09 0.00 0.00 0.00 0.00 23.12 18.85 2aw4 s ALA 74 CO -0.16 -3.00 -0.28 0.94 0.00 0.00 0.00 175.76 173.27 2aw4 n GLN 75 N 8.80 0.55 -4.28 0.00 7.27 -0.85 -4.83 117.38 124.03 2aw4 n GLN 75 Ca 0.10 0.30 -0.15 0.00 0.07 0.00 0.00 57.00 57.31 2aw4 n GLN 75 Cb 0.49 -1.51 -0.10 0.00 2.41 0.00 0.00 30.24 31.53 2aw4 n GLN 75 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2aw4 s ASP 76 N -6.57 2.04 -0.01 1.69 2.15 -1.19 -4.97 116.67 109.80 2aw4 s ASP 76 Ca -0.31 -1.02 -0.01 0.00 0.43 0.00 0.00 52.55 51.64 2aw4 s ASP 76 Cb 0.08 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 2aw4 s ASP 76 CO 0.44 -0.28 0.04 0.68 -0.17 0.00 0.00 175.17 175.88 2aw4 s VAL 77 N -3.22 0.01 -0.60 1.11 -7.23 -1.26 -1.01 120.40 108.20 2aw4 s VAL 77 Ca 0.19 -0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.34 2aw4 s VAL 77 Cb 0.02 -0.08 0.15 0.00 0.56 0.00 0.00 36.38 37.03 2aw4 s VAL 77 CO 0.02 -0.03 0.38 -1.10 -0.31 0.00 0.00 175.10 174.06 2aw4 s GLN 78 N -0.08 2.14 0.72 4.82 -0.21 0.73 -4.96 119.66 122.82 2aw4 s GLN 78 Ca -0.01 -2.93 -0.11 0.00 0.02 0.00 0.00 55.36 52.33 2aw4 s GLN 78 Cb -0.01 -3.25 0.02 0.00 1.00 0.00 0.00 33.01 30.77 2aw4 s GLN 78 CO 0.00 -1.21 1.07 -0.98 -2.12 0.00 0.00 175.29 172.05 2aw4 s ARG 79 N -0.82 2.76 0.46 2.91 1.70 -1.26 -0.30 118.95 124.41 2aw4 s ARG 79 Ca 0.21 0.89 -0.25 0.00 -0.47 0.00 0.00 55.73 56.12 2aw4 s ARG 79 Cb -0.14 -1.98 -0.08 0.00 -0.57 0.00 0.00 34.95 32.19 2aw4 s ARG 79 CO -0.09 -1.20 1.38 -1.58 -1.08 0.00 0.00 175.30 172.73 2aw4 s HIS 80 N -3.07 2.50 0.53 5.89 5.65 0.19 -4.73 115.29 122.25 2aw4 s HIS 80 Ca 0.59 1.32 0.29 0.00 0.25 0.00 0.00 55.06 57.51 2aw4 s HIS 80 Cb -0.14 -3.83 1.45 0.00 -1.18 0.00 0.00 32.58 28.87 2aw4 s HIS 80 CO 0.55 -2.73 1.93 -1.35 -0.65 0.00 0.00 174.74 172.48 2aw4 h PRO 81 N 2.19 0.00 0.00 2.88 0.11 -1.94 -3.39 132.00 131.86 2aw4 h PRO 81 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2aw4 h PRO 81 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2aw4 h PRO 81 CO 0.60 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.88 2aw4 n TYR 82 N -4.31 0.00 -2.64 0.65 0.18 -1.26 -5.11 117.16 104.67 2aw4 n TYR 82 Ca 0.15 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.53 2aw4 n TYR 82 Cb 0.83 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.74 2aw4 n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2aw4 s LYS 83 N -0.58 4.75 -0.33 -3.48 1.02 -1.26 -4.90 119.74 114.96 2aw4 s LYS 83 Ca 0.00 1.61 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 2aw4 s LYS 83 Cb 0.00 -3.26 -0.34 0.00 -0.52 0.00 0.00 37.83 33.71 2aw4 s LYS 83 CO 0.00 0.35 1.75 -2.30 -0.92 0.00 0.00 175.35 174.23 2aw4 n PRO 84 N 1.63 0.03 -3.90 -1.68 -0.02 -1.26 -4.34 135.00 125.46 2aw4 n PRO 84 Ca -0.01 -1.21 -0.01 0.00 -2.02 0.00 0.00 63.50 60.24 2aw4 n PRO 84 Cb 0.46 -2.94 0.01 0.00 -0.02 0.00 0.00 33.50 31.02 2aw4 n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2aw4 s LYS 85 N 7.47 1.04 0.42 -0.52 -2.85 -1.26 -5.06 119.74 118.97 2aw4 s LYS 85 Ca 0.73 -0.66 0.04 0.00 -1.00 0.00 0.00 55.97 55.07 2aw4 s LYS 85 Cb 0.09 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2aw4 s LYS 85 CO 0.30 -0.49 0.05 -0.51 0.10 0.00 0.00 175.35 174.81 2aw4 s LEU 86 N -3.48 2.29 0.00 2.77 1.02 -1.26 0.54 118.68 120.56 2aw4 s LEU 86 Ca 0.23 -1.54 0.00 0.00 0.02 0.00 0.00 54.13 52.85 2aw4 s LEU 86 Cb -0.02 -0.50 0.00 0.00 0.02 0.00 0.00 46.19 45.69 2aw4 s LEU 86 CO 0.03 -0.74 0.00 0.00 0.02 0.00 0.00 176.35 175.67 2aw4 n GLN 87 N -0.97 0.00 -5.22 1.70 3.00 0.59 -4.63 117.38 111.86 2aw4 n GLN 87 Ca -0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.58 2aw4 n GLN 87 Cb 0.66 0.00 -0.17 0.00 0.00 0.00 0.00 30.24 30.73 2aw4 n GLN 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2aw4 s HIS 88 N -0.66 2.56 0.05 1.08 5.65 -1.19 -3.65 115.29 119.12 2aw4 s HIS 88 Ca 0.00 -1.03 0.08 0.00 0.25 0.00 0.00 55.06 54.37 2aw4 s HIS 88 Cb 0.00 -1.70 -0.03 0.00 -1.18 0.00 0.00 32.58 29.67 2aw4 s HIS 88 CO 0.00 -0.41 -0.23 0.96 -0.65 0.00 0.00 174.74 174.42 2aw4 s ILE 89 N 0.31 1.85 -0.19 0.89 -5.25 -1.26 -0.19 121.20 117.36 2aw4 s ILE 89 Ca -0.18 -1.31 -0.09 0.00 -0.99 0.00 0.00 60.65 58.08 2aw4 s ILE 89 Cb -0.18 -1.60 -0.05 0.00 2.95 0.00 0.00 42.46 43.58 2aw4 s ILE 89 CO 0.09 0.23 0.10 -1.81 -1.79 0.00 0.00 174.94 171.76 2aw4 s ASP 90 N -1.29 5.95 0.02 4.36 1.11 -0.18 -3.64 116.67 123.01 2aw4 s ASP 90 Ca 0.09 0.17 0.05 0.00 0.18 0.00 0.00 52.55 53.04 2aw4 s ASP 90 Cb -0.09 -2.03 -0.03 0.00 1.07 0.00 0.00 42.92 41.83 2aw4 s ASP 90 CO 0.02 0.18 -0.12 -0.36 1.18 0.00 0.00 175.17 176.07 2aw4 s PHE 91 N 0.34 2.72 -0.13 4.23 2.99 -0.90 -2.01 117.98 125.21 2aw4 s PHE 91 Ca 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 56.93 56.85 2aw4 s PHE 91 Cb -0.12 -1.54 -0.00 0.00 0.00 0.00 0.00 43.02 41.36 2aw4 s PHE 91 CO -0.01 0.31 -0.18 0.08 -0.00 0.00 0.00 175.22 175.42 2aw4 s VAL 92 N -0.95 2.57 -0.23 -0.44 1.01 0.30 -3.38 120.40 119.29 2aw4 s VAL 92 Ca 0.16 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 2aw4 s VAL 92 Cb -0.11 -2.05 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 2aw4 s VAL 92 CO 0.06 0.53 2.16 -1.14 0.00 0.00 0.00 175.10 176.72 2aw4 n ARG 93 N 3.71 1.79 0.00 2.72 0.63 -0.86 0.49 116.66 125.14 2aw4 n ARG 93 Ca -0.19 0.53 0.08 0.00 -0.92 0.00 0.00 57.85 57.34 2aw4 n ARG 93 Cb 0.52 -2.93 0.45 0.00 0.45 0.00 0.00 32.46 30.96 2aw4 n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12