#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 s GLN 2 N 0.00 0.42 0.21 3.17 2.00 -1.26 0.28 119.66 124.48 2aw4 s GLN 2 Ca 0.00 0.55 0.04 0.00 -2.00 0.00 0.00 55.36 53.95 2aw4 s GLN 2 Cb 0.00 -0.17 -0.02 0.00 0.80 0.00 0.00 33.01 33.63 2aw4 s GLN 2 CO 0.00 -0.75 0.19 1.33 -0.50 0.00 0.00 175.29 175.56 2aw4 n VAL 3 N 5.38 0.00 -3.35 1.34 0.24 -1.26 -3.28 118.33 117.40 2aw4 n VAL 3 Ca -0.02 -1.50 -0.20 0.00 -2.04 0.00 0.00 64.34 60.58 2aw4 n VAL 3 Cb 0.50 0.77 -0.08 0.00 -1.47 0.00 0.00 33.84 33.56 2aw4 n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2aw4 s ILE 4 N -2.84 -0.19 0.03 1.34 1.01 -1.10 -4.10 121.20 115.35 2aw4 s ILE 4 Ca 0.25 -1.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.33 2aw4 s ILE 4 Cb 0.01 -0.79 -0.11 0.00 0.01 0.00 0.00 42.46 41.58 2aw4 s ILE 4 CO 0.17 -0.72 1.28 -0.07 0.00 0.00 0.00 174.94 175.61 2aw4 h LEU 5 N 6.72 -0.61 0.00 2.97 -0.00 -1.85 -3.39 115.31 119.14 2aw4 h LEU 5 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2aw4 h LEU 5 Cb 1.02 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2aw4 h LEU 5 CO 0.22 -0.43 0.00 -0.11 -0.00 0.00 0.00 178.44 178.12 2aw4 n LEU 6 N -3.97 0.00 -3.27 1.67 7.94 -1.26 -4.61 117.00 113.50 2aw4 n LEU 6 Ca -0.09 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.41 2aw4 n LEU 6 Cb 0.28 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.26 2aw4 n LEU 6 CO 0.22 0.00 1.45 0.47 -1.11 0.00 0.00 177.39 178.41 2aw4 n ASP 7 N 2.31 7.35 -1.15 1.96 9.92 -1.26 -2.27 116.55 133.41 2aw4 n ASP 7 Ca 0.00 -3.76 -0.13 0.00 -0.53 0.00 0.00 54.79 50.37 2aw4 n ASP 7 Cb 0.00 -1.10 -0.01 0.00 -0.64 0.00 0.00 41.12 39.37 2aw4 n ASP 7 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2aw4 n LYS 8 N -0.29 0.00 -3.20 -1.24 -0.00 -1.26 -4.97 118.16 107.20 2aw4 n LYS 8 Ca 0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.65 2aw4 n LYS 8 Cb 0.26 -0.29 -0.06 0.00 -0.00 0.00 0.00 35.03 34.94 2aw4 n LYS 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2aw4 s VAL 9 N -0.21 -0.35 0.00 0.58 1.01 -1.26 -4.90 120.40 115.27 2aw4 s VAL 9 Ca 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2aw4 s VAL 9 Cb -0.26 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2aw4 s VAL 9 CO 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 175.10 174.65 2aw4 n ALA 10 N 3.49 0.00 -1.80 5.51 0.00 -1.26 -4.91 120.51 121.54 2aw4 n ALA 10 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 2aw4 n ALA 10 Cb 0.49 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 2aw4 n ALA 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2aw4 s ASN 11 N -1.98 6.61 0.00 0.00 3.04 -1.26 -4.88 114.94 116.48 2aw4 s ASN 11 Ca 0.00 1.77 -0.01 0.00 0.04 0.00 0.00 52.86 54.66 2aw4 s ASN 11 Cb 0.00 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.14 2aw4 s ASN 11 CO 0.00 -0.59 1.00 0.18 -3.04 0.00 0.00 177.10 174.65 2aw4 n LEU 12 N -0.96 1.95 -3.59 3.21 4.32 -1.26 -4.65 117.00 116.01 2aw4 n LEU 12 Ca 0.08 -1.06 -0.11 0.00 -0.02 0.00 0.00 56.01 54.90 2aw4 n LEU 12 Cb 0.53 -0.44 -0.06 0.00 -1.62 0.00 0.00 43.42 41.83 2aw4 n LEU 12 CO 0.40 0.35 0.69 -0.83 -1.22 0.00 0.00 177.39 176.78 2aw4 s GLY 13 N 2.19 -0.29 0.09 -0.72 0.00 -1.26 -4.98 107.32 102.35 2aw4 s GLY 13 Ca 0.07 2.14 0.03 0.00 0.00 0.00 0.00 44.72 46.97 2aw4 s GLY 13 CO 0.00 1.33 -0.09 -0.56 0.00 0.00 0.00 173.10 173.78 2aw4 s SER 14 N -0.59 1.31 -0.69 1.64 0.01 -1.26 -4.32 113.70 109.81 2aw4 s SER 14 Ca -0.01 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2aw4 s SER 14 Cb -0.02 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2aw4 s SER 14 CO 0.00 -0.31 0.00 0.18 0.41 0.00 0.00 173.24 173.52 2aw4 n LEU 15 N 0.48 0.05 -0.37 2.44 4.32 -0.96 -4.25 117.00 118.72 2aw4 n LEU 15 Ca -0.16 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2aw4 n LEU 15 Cb 0.58 -2.29 0.00 0.00 -1.62 0.00 0.00 43.42 40.10 2aw4 n LEU 15 CO 0.27 -0.87 0.00 0.61 -1.22 0.00 0.00 177.39 176.18 2aw4 n GLY 16 N 0.41 -1.46 3.73 -0.72 0.00 -1.26 -4.00 105.19 101.88 2aw4 n GLY 16 Ca -0.06 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2aw4 n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2aw4 s ASP 17 N 0.00 7.08 0.00 1.61 -4.77 -1.26 -4.74 116.67 114.59 2aw4 s ASP 17 Ca 0.00 2.14 0.22 0.00 -3.30 0.00 0.00 52.55 51.61 2aw4 s ASP 17 Cb 0.00 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 2aw4 s ASP 17 CO 0.00 -0.42 1.05 0.00 0.70 0.00 0.00 175.17 176.50 2aw4 n GLN 18 N 3.17 0.49 -4.33 2.11 10.64 -1.26 -4.24 117.38 123.96 2aw4 n GLN 18 Ca 0.07 -0.40 -0.25 0.00 -1.83 0.00 0.00 57.00 54.59 2aw4 n GLN 18 Cb 0.45 -1.49 -0.09 0.00 -0.86 0.00 0.00 30.24 28.25 2aw4 n GLN 18 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2aw4 s VAL 19 N -2.78 3.14 0.00 -0.39 1.01 -1.26 -5.00 120.40 115.11 2aw4 s VAL 19 Ca 0.13 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.19 2aw4 s VAL 19 Cb 0.17 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2aw4 s VAL 19 CO 0.73 -0.27 0.00 -3.20 0.00 0.00 0.00 175.10 172.35 2aw4 n ASN 20 N -0.46 0.00 -3.11 3.32 5.15 -1.25 -4.83 115.26 114.07 2aw4 n ASN 20 Ca -0.08 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.79 2aw4 n ASN 20 Cb 0.58 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.82 2aw4 n ASN 20 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2aw4 n VAL 21 N 0.00 0.00 -1.71 3.44 3.14 0.14 -4.94 118.33 118.40 2aw4 n VAL 21 Ca 0.00 -0.90 -0.31 0.00 -2.96 0.00 0.00 64.34 60.17 2aw4 n VAL 21 Cb 0.00 -0.14 0.04 0.00 -1.06 0.00 0.00 33.84 32.68 2aw4 n VAL 21 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2aw4 s LYS 22 N -2.85 2.99 0.06 1.45 -0.14 -1.26 -4.11 119.74 115.88 2aw4 s LYS 22 Ca 0.08 0.76 0.04 0.00 -1.36 0.00 0.00 55.97 55.49 2aw4 s LYS 22 Cb -0.01 -2.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.11 2aw4 s LYS 22 CO 0.05 -1.01 -0.11 0.00 -0.76 0.00 0.00 175.35 173.53 2aw4 s ALA 23 N -3.15 0.86 0.00 5.17 0.00 -1.26 -3.70 121.76 119.68 2aw4 s ALA 23 Ca 0.58 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2aw4 s ALA 23 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2aw4 s ALA 23 CO 0.54 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.78 2aw4 n GLY 24 N 1.36 2.53 0.16 0.00 0.00 -1.26 -4.72 105.19 103.27 2aw4 n GLY 24 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2aw4 n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2aw4 h TYR 25 N 0.00 0.57 0.00 1.61 3.20 -1.97 -3.30 116.97 117.08 2aw4 h TYR 25 Ca 0.00 -0.28 -0.25 0.00 3.14 0.00 0.00 58.73 61.34 2aw4 h TYR 25 Cb 0.00 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 2aw4 h TYR 25 CO 0.00 1.08 -1.46 0.00 -1.64 0.00 0.00 178.16 176.14 2aw4 h ALA 26 N 0.84 0.66 -1.17 1.82 0.00 -1.87 -3.35 119.26 116.18 2aw4 h ALA 26 Ca -0.05 -1.20 0.39 0.00 0.00 0.00 0.00 54.91 54.04 2aw4 h ALA 26 Cb 1.45 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 2aw4 h ALA 26 CO 0.14 1.36 0.72 -0.09 0.00 0.00 0.00 179.25 181.39 2aw4 h ARG 27 N 0.00 0.15 -2.16 0.00 2.43 -1.94 -2.54 114.38 110.32 2aw4 h ARG 27 Ca -0.19 -0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 58.41 2aw4 h ARG 27 Cb 1.86 -0.03 -0.37 0.00 -0.42 0.00 0.00 29.97 31.01 2aw4 h ARG 27 CO 0.08 0.10 -0.98 -1.71 -1.51 0.00 0.00 179.97 175.95 2aw4 n ASN 28 N -4.85 -0.52 0.00 -3.80 2.85 -1.26 -4.73 115.26 102.95 2aw4 n ASN 28 Ca 0.35 -2.49 0.00 0.00 -0.11 0.00 0.00 54.58 52.33 2aw4 n ASN 28 Cb 1.26 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.86 2aw4 n ASN 28 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2aw4 n PHE 29 N 2.46 0.00 -0.01 1.20 7.35 -1.19 -4.98 117.46 122.30 2aw4 n PHE 29 Ca 0.27 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.92 2aw4 n PHE 29 Cb 0.50 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.30 2aw4 n PHE 29 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2aw4 h LEU 30 N 0.00 -0.47 0.40 -2.13 7.12 -1.69 -2.99 115.31 115.55 2aw4 h LEU 30 Ca 0.00 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 2aw4 h LEU 30 Cb 0.00 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 2aw4 h LEU 30 CO 0.00 -0.12 -0.36 0.58 -0.13 0.00 0.00 178.44 178.41 2aw4 h VAL 31 N -0.14 0.27 -2.76 1.05 2.07 -1.62 0.36 116.25 115.48 2aw4 h VAL 31 Ca 0.01 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.99 2aw4 h VAL 31 Cb 0.18 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2aw4 h VAL 31 CO -0.13 0.00 0.95 -2.16 0.02 0.00 0.00 177.57 176.25 2aw4 s PRO 32 N -6.00 4.23 0.00 1.57 0.04 -1.13 -3.62 135.00 130.08 2aw4 s PRO 32 Ca -0.17 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2aw4 s PRO 32 Cb 0.05 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2aw4 s PRO 32 CO 0.63 -0.70 0.00 0.94 0.04 0.00 0.00 177.00 177.91 2aw4 n GLN 33 N 5.82 0.00 0.00 4.56 7.27 -1.26 -4.52 117.38 129.25 2aw4 n GLN 33 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.22 2aw4 n GLN 33 Cb 0.42 -1.06 0.00 0.00 2.41 0.00 0.00 30.24 32.01 2aw4 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2aw4 n GLY 34 N 0.00 -0.75 3.16 1.69 0.00 -1.03 -4.92 105.19 103.35 2aw4 n GLY 34 Ca 0.00 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2aw4 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aw4 s LYS 35 N 0.00 2.38 0.59 1.61 3.01 0.12 -4.91 119.74 122.55 2aw4 s LYS 35 Ca 0.00 -1.96 -0.18 0.00 -1.01 0.00 0.00 55.97 52.83 2aw4 s LYS 35 Cb 0.00 -3.80 -0.11 0.00 -1.01 0.00 0.00 37.83 32.91 2aw4 s LYS 35 CO 0.00 -1.15 0.14 0.00 0.51 0.00 0.00 175.35 174.84 2aw4 n ALA 36 N 4.50 -2.38 0.00 5.17 0.00 -1.24 -4.18 120.51 122.38 2aw4 n ALA 36 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2aw4 n ALA 36 Cb 0.41 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2aw4 n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2aw4 n VAL 37 N -1.77 0.00 -0.33 0.00 0.24 -1.26 -4.59 118.33 110.63 2aw4 n VAL 37 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2aw4 n VAL 37 Cb 0.48 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2aw4 n VAL 37 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2aw4 n PRO 38 N -1.69 0.00 -0.85 7.34 -0.01 -1.26 -2.71 135.00 135.82 2aw4 n PRO 38 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 63.50 63.37 2aw4 n PRO 38 Cb 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 33.50 33.40 2aw4 n PRO 38 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2aw4 n ALA 39 N 0.03 5.53 -3.17 3.55 0.00 -1.21 -4.36 120.51 120.88 2aw4 n ALA 39 Ca 0.00 -1.64 -0.35 0.00 0.00 0.00 0.00 53.44 51.45 2aw4 n ALA 39 Cb 0.00 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 2aw4 n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2aw4 s THR 40 N 1.47 3.92 0.00 0.00 -4.23 -1.26 -4.85 115.64 110.69 2aw4 s THR 40 Ca 0.55 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2aw4 s THR 40 Cb 0.25 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2aw4 s THR 40 CO -0.00 0.41 0.00 0.29 -0.54 0.00 0.00 174.62 174.77 2aw4 n LYS 41 N 4.49 0.00 0.00 3.99 4.01 -1.26 -0.91 118.16 128.48 2aw4 n LYS 41 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 2aw4 n LYS 41 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 2aw4 n LYS 41 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2aw4 n LYS 42 N 0.00 0.00 -0.23 1.97 4.76 -1.26 -0.58 118.16 122.82 2aw4 n LYS 42 Ca 0.00 0.48 0.15 0.00 -2.87 0.00 0.00 58.31 56.07 2aw4 n LYS 42 Cb 0.00 -0.83 0.45 0.00 -1.84 0.00 0.00 35.03 32.82 2aw4 n LYS 42 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2aw4 h ASN 43 N 0.00 0.50 0.00 4.39 2.35 -1.25 -3.10 115.58 118.47 2aw4 h ASN 43 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2aw4 h ASN 43 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2aw4 h ASN 43 CO 0.00 0.24 0.00 -0.38 -1.65 0.00 0.00 177.43 175.64 2aw4 n ILE 44 N -4.53 0.00 -0.38 2.81 5.41 0.26 -2.84 119.36 120.09 2aw4 n ILE 44 Ca 0.17 1.16 0.34 0.00 1.00 0.00 0.00 62.75 65.42 2aw4 n ILE 44 Cb 0.55 -2.03 0.61 0.00 -0.71 0.00 0.00 39.64 38.06 2aw4 n ILE 44 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2aw4 h GLU 45 N 0.00 0.05 0.00 0.38 4.39 -1.45 1.22 114.58 119.17 2aw4 h GLU 45 Ca 0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2aw4 h GLU 45 Cb 0.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2aw4 h GLU 45 CO 0.00 0.03 -0.02 0.74 -1.16 0.00 0.00 179.01 178.61 2aw4 h PHE 46 N 0.05 0.00 0.05 4.33 -1.00 -1.45 -1.35 116.94 117.57 2aw4 h PHE 46 Ca 0.84 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 61.39 2aw4 h PHE 46 Cb 2.39 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.93 2aw4 h PHE 46 CO -0.01 0.02 -1.10 0.27 -1.61 0.00 0.00 178.31 175.88 2aw4 h PHE 47 N 0.00 0.18 -0.70 -0.55 -5.15 0.17 -3.30 116.94 107.59 2aw4 h PHE 47 Ca -0.00 -0.13 0.12 0.00 -0.20 0.00 0.00 57.97 57.75 2aw4 h PHE 47 Cb 0.07 -0.01 -0.08 0.00 0.22 0.00 0.00 35.95 36.15 2aw4 h PHE 47 CO 0.00 1.11 0.29 1.49 -2.00 0.00 0.00 178.31 179.19 2aw4 h GLU 48 N 0.03 0.45 -0.65 6.09 4.81 -1.23 0.28 114.58 124.36 2aw4 h GLU 48 Ca -0.06 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2aw4 h GLU 48 Cb 1.85 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 31.09 2aw4 h GLU 48 CO 0.16 0.30 0.43 0.00 -0.73 0.00 0.00 179.01 179.17 2aw4 h ALA 49 N 1.48 1.89 0.00 2.92 0.00 -1.63 1.84 119.26 125.76 2aw4 h ALA 49 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2aw4 h ALA 49 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2aw4 h ALA 49 CO -0.34 -0.02 0.00 -2.13 0.00 0.00 0.00 179.25 176.75 2aw4 n ARG 50 N -4.48 0.15 0.00 0.00 0.63 0.95 -3.14 116.66 110.77 2aw4 n ARG 50 Ca 0.10 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 2aw4 n ARG 50 Cb 0.32 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.48 2aw4 n ARG 50 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2aw4 n ARG 51 N -2.04 0.00 0.28 -0.14 1.74 0.88 -4.65 116.66 112.74 2aw4 n ARG 51 Ca 0.03 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.28 2aw4 n ARG 51 Cb 0.27 -0.64 0.94 0.00 -1.02 0.00 0.00 32.46 32.01 2aw4 n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aw4 h ALA 52 N 0.00 1.50 0.00 7.54 0.00 0.25 0.64 119.26 129.19 2aw4 h ALA 52 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aw4 h ALA 52 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2aw4 h ALA 52 CO 0.00 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.56 2aw4 n GLU 53 N -3.68 0.37 -0.03 0.00 1.02 -1.19 -2.26 120.64 114.87 2aw4 n GLU 53 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2aw4 n GLU 53 Cb 0.15 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 2aw4 n GLU 53 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2aw4 n LEU 54 N -1.31 0.24 0.13 -4.62 7.99 0.22 -4.21 117.00 115.43 2aw4 n LEU 54 Ca 0.13 0.10 0.10 0.00 -0.01 0.00 0.00 56.01 56.34 2aw4 n LEU 54 Cb 0.24 0.21 0.03 0.00 -0.11 0.00 0.00 43.42 43.80 2aw4 n LEU 54 CO 0.23 0.23 0.20 -0.08 -1.51 0.00 0.00 177.39 176.45 2aw4 h GLU 55 N 0.00 0.00 0.00 3.23 4.22 -1.26 -3.28 114.58 117.49 2aw4 h GLU 55 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.18 2aw4 h GLU 55 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2aw4 h GLU 55 CO 0.02 0.04 0.13 0.00 -2.18 0.00 0.00 179.01 177.02 2aw4 n ALA 56 N -2.18 0.83 -0.00 2.92 0.00 -0.96 -1.58 120.51 119.54 2aw4 n ALA 56 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 2aw4 n ALA 56 Cb 0.57 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 2aw4 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2aw4 h LYS 57 N 0.00 0.06 -0.15 0.00 6.56 -1.82 0.71 116.57 121.93 2aw4 h LYS 57 Ca 0.00 -0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.62 2aw4 h LYS 57 Cb 0.26 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 2aw4 h LYS 57 CO 0.00 0.27 0.16 1.25 -2.06 0.00 0.00 179.45 179.07 2aw4 h LEU 58 N -0.15 0.00 0.00 2.94 5.85 -1.57 0.85 115.31 123.23 2aw4 h LEU 58 Ca 0.01 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 2aw4 h LEU 58 Cb 0.24 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2aw4 h LEU 58 CO 0.00 0.00 -1.06 0.00 -0.34 0.00 0.00 178.44 177.04 2aw4 n ALA 59 N -2.36 0.70 -0.06 1.25 0.00 -1.07 -4.32 120.51 114.64 2aw4 n ALA 59 Ca 0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.85 2aw4 n ALA 59 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 2aw4 n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2aw4 h GLU 60 N -1.00 0.00 -0.35 0.00 4.22 0.65 -3.32 114.58 114.78 2aw4 h GLU 60 Ca -0.21 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.29 2aw4 h GLU 60 Cb 0.97 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 2aw4 h GLU 60 CO -0.12 0.10 0.03 0.28 -2.18 0.00 0.00 179.01 177.11 2aw4 h VAL 61 N -1.00 0.77 -0.92 0.32 2.07 0.08 -0.35 116.25 117.22 2aw4 h VAL 61 Ca -0.02 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.63 2aw4 h VAL 61 Cb 0.39 0.63 -0.11 0.00 -1.52 0.00 0.00 31.29 30.68 2aw4 h VAL 61 CO -0.01 0.02 0.50 0.25 0.02 0.00 0.00 177.57 178.35 2aw4 h LEU 62 N 0.13 0.60 -0.65 2.57 6.46 0.19 0.41 115.31 125.02 2aw4 h LEU 62 Ca 0.17 0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.94 2aw4 h LEU 62 Cb 0.22 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 2aw4 h LEU 62 CO -0.26 0.20 -0.04 0.00 -0.62 0.00 0.00 178.44 177.72 2aw4 h ALA 63 N 1.62 0.86 0.00 1.25 0.00 -1.22 0.48 119.26 122.26 2aw4 h ALA 63 Ca 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2aw4 h ALA 63 Cb 0.84 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2aw4 h ALA 63 CO -0.40 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2aw4 n ALA 64 N -2.49 2.26 -1.28 0.00 0.00 0.11 -3.10 120.51 116.02 2aw4 n ALA 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2aw4 n ALA 64 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2aw4 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 n ALA 65 N -0.24 0.00 0.01 0.00 0.00 -0.94 -4.91 120.51 114.42 2aw4 n ALA 65 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2aw4 n ALA 65 Cb 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.43 2aw4 n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2aw4 n ASN 66 N 0.00 0.75 0.00 0.00 5.15 0.17 -3.99 115.26 117.33 2aw4 n ASN 66 Ca 0.00 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 2aw4 n ASN 66 Cb 0.17 0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 2aw4 n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aw4 n ALA 67 N -2.46 1.33 0.02 5.20 0.00 -1.25 -3.57 120.51 119.78 2aw4 n ALA 67 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 2aw4 n ALA 67 Cb 0.91 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 2aw4 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 h ARG 68 N 0.00 -0.31 0.00 0.00 2.47 -1.93 1.86 114.38 116.47 2aw4 h ARG 68 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2aw4 h ARG 68 Cb 0.01 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2aw4 h ARG 68 CO 0.00 -0.21 0.07 0.00 0.56 0.00 0.00 179.97 180.39 2aw4 h ALA 69 N -0.93 1.07 0.05 0.04 0.00 -1.70 -1.57 119.26 116.22 2aw4 h ALA 69 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 2aw4 h ALA 69 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2aw4 h ALA 69 CO -0.19 -0.07 -2.07 0.39 0.00 0.00 0.00 179.25 177.31 2aw4 n GLU 70 N -2.93 0.70 0.17 0.00 -0.58 -0.29 -4.21 120.64 113.50 2aw4 n GLU 70 Ca -0.03 0.21 0.03 0.00 -0.42 0.00 0.00 57.16 56.96 2aw4 n GLU 70 Cb 0.13 -1.67 0.28 0.00 -0.57 0.00 0.00 31.44 29.61 2aw4 n GLU 70 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2aw4 h LYS 71 N 0.03 0.00 -3.01 3.49 1.57 0.35 -3.40 116.57 115.61 2aw4 h LYS 71 Ca -0.44 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.75 2aw4 h LYS 71 Cb 2.03 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.94 2aw4 h LYS 71 CO 0.04 0.46 -0.78 -1.50 -0.57 0.00 0.00 179.45 177.11 2aw4 s ILE 72 N -3.62 0.81 0.12 1.86 2.07 -0.66 -4.85 121.20 116.93 2aw4 s ILE 72 Ca -0.00 -1.89 0.00 0.00 -1.41 0.00 0.00 60.65 57.35 2aw4 s ILE 72 Cb 0.12 -1.59 0.00 0.00 0.13 0.00 0.00 42.46 41.12 2aw4 s ILE 72 CO 0.71 -0.85 0.00 -0.46 -1.91 0.00 0.00 174.94 172.43 2aw4 n ASN 73 N 4.15 -0.89 0.00 4.50 2.04 -1.26 -4.27 115.26 119.53 2aw4 n ASN 73 Ca 0.06 0.22 0.06 0.00 -0.44 0.00 0.00 54.58 54.48 2aw4 n ASN 73 Cb 0.38 1.11 0.31 0.00 -2.53 0.00 0.00 39.78 39.04 2aw4 n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2aw4 n ALA 74 N -2.77 1.76 -0.94 -2.53 0.00 -1.26 -4.86 120.51 109.91 2aw4 n ALA 74 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 2aw4 n ALA 74 Cb 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 2aw4 n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2aw4 n LEU 75 N -1.22 -1.01 -4.76 0.00 0.00 -1.26 -4.86 117.00 103.89 2aw4 n LEU 75 Ca 0.06 0.73 -0.36 0.00 0.00 0.00 0.00 56.01 56.45 2aw4 n LEU 75 Cb 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 43.42 42.89 2aw4 n LEU 75 CO 0.08 -2.15 0.84 -1.61 0.00 0.00 0.00 177.39 174.55 2aw4 s GLU 76 N -0.68 3.13 0.08 1.96 2.02 -1.26 -4.85 118.70 119.10 2aw4 s GLU 76 Ca 0.43 1.81 -0.37 0.00 0.02 0.00 0.00 54.97 56.86 2aw4 s GLU 76 Cb -0.60 -2.01 -0.17 0.00 0.10 0.00 0.00 34.13 31.44 2aw4 s GLU 76 CO 0.39 -1.08 1.29 2.41 0.02 0.00 0.00 175.26 178.30 2aw4 n THR 77 N -1.38 0.05 -2.29 3.63 -1.04 -1.26 -4.83 114.28 107.14 2aw4 n THR 77 Ca 0.12 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.69 2aw4 n THR 77 Cb 0.49 -0.71 -0.02 0.00 -1.82 0.00 0.00 70.33 68.27 2aw4 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2aw4 s VAL 78 N 0.38 3.82 -1.00 12.58 1.01 -1.26 -4.91 120.40 131.02 2aw4 s VAL 78 Ca 0.85 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 2aw4 s VAL 78 Cb -0.99 -4.14 0.30 0.00 0.00 0.00 0.00 36.38 31.55 2aw4 s VAL 78 CO 0.48 -0.75 1.37 0.41 0.00 0.00 0.00 175.10 176.62 2aw4 n THR 79 N 7.12 4.86 -3.77 3.92 -1.04 -1.26 -2.23 114.28 121.89 2aw4 n THR 79 Ca 0.17 -5.83 -0.34 0.00 -2.04 0.00 0.00 64.05 56.02 2aw4 n THR 79 Cb 0.48 -2.05 -0.10 0.00 -1.82 0.00 0.00 70.33 66.84 2aw4 n THR 79 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2aw4 s ILE 80 N -2.84 3.54 0.27 12.58 1.01 -1.04 -4.99 121.20 129.73 2aw4 s ILE 80 Ca 0.33 -3.47 -0.31 0.00 0.00 0.00 0.00 60.65 57.21 2aw4 s ILE 80 Cb 0.07 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 39.13 2aw4 s ILE 80 CO 0.08 -0.94 1.54 0.00 0.00 0.00 0.00 174.94 175.63 2aw4 n ALA 81 N 2.88 2.08 -1.90 9.38 0.00 -1.23 -4.27 120.51 127.45 2aw4 n ALA 81 Ca 0.13 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.58 2aw4 n ALA 81 Cb 0.36 -2.40 0.04 0.00 0.00 0.00 0.00 19.45 17.45 2aw4 n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2aw4 n SER 82 N 2.30 7.21 -3.75 0.00 2.88 -1.26 -4.78 113.62 116.22 2aw4 n SER 82 Ca 0.10 -3.82 -0.27 0.00 -1.33 0.00 0.00 58.87 53.55 2aw4 n SER 82 Cb 0.35 -0.98 0.02 0.00 -0.75 0.00 0.00 64.21 62.85 2aw4 n SER 82 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2aw4 n LYS 83 N -0.59 -2.54 -1.85 -1.46 4.76 -1.26 0.03 118.16 115.25 2aw4 n LYS 83 Ca 0.53 0.48 -0.42 0.00 -2.87 0.00 0.00 58.31 56.04 2aw4 n LYS 83 Cb 0.35 -4.48 -0.03 0.00 -1.84 0.00 0.00 35.03 29.03 2aw4 n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2aw4 s ALA 84 N -3.65 3.67 0.00 7.82 0.00 -1.25 0.12 121.76 128.47 2aw4 s ALA 84 Ca 0.25 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2aw4 s ALA 84 Cb -0.09 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2aw4 s ALA 84 CO 0.86 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2aw4 n GLY 85 N 4.17 2.22 3.73 0.00 0.00 0.13 -4.69 105.19 110.75 2aw4 n GLY 85 Ca 0.17 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2aw4 n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aw4 n ASP 86 N 0.00 -4.31 -0.89 1.61 8.00 -1.26 0.33 116.55 120.04 2aw4 n ASP 86 Ca 0.00 -1.01 -0.08 0.00 0.71 0.00 0.00 54.79 54.41 2aw4 n ASP 86 Cb 0.00 -3.34 -0.03 0.00 -0.02 0.00 0.00 41.12 37.73 2aw4 n ASP 86 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2aw4 n GLU 87 N -4.24 -1.52 0.00 -1.24 2.13 -1.26 -2.26 120.64 112.25 2aw4 n GLU 87 Ca -0.14 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2aw4 n GLU 87 Cb 0.61 -4.60 0.00 0.00 0.27 0.00 0.00 31.44 27.72 2aw4 n GLU 87 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aw4 n GLY 88 N 0.05 -0.24 0.00 8.31 0.00 -0.43 -5.13 105.19 107.75 2aw4 n GLY 88 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2aw4 n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2aw4 n LYS 89 N 0.00 3.17 -3.97 1.61 0.00 1.01 -4.90 118.16 115.07 2aw4 n LYS 89 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.15 2aw4 n LYS 89 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 2aw4 n LYS 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2aw4 n LEU 90 N 0.00 0.00 0.00 3.14 4.32 -1.21 0.17 117.00 123.41 2aw4 n LEU 90 Ca 0.00 -2.84 0.00 0.00 -0.02 0.00 0.00 56.01 53.15 2aw4 n LEU 90 Cb 0.00 2.08 0.00 0.00 -1.62 0.00 0.00 43.42 43.88 2aw4 n LEU 90 CO 0.00 -0.57 -0.31 0.49 -1.22 0.00 0.00 177.39 175.78 2aw4 n PHE 91 N -0.57 0.00 -1.74 -1.77 3.01 0.32 -4.59 117.46 112.11 2aw4 n PHE 91 Ca 0.03 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.11 2aw4 n PHE 91 Cb 0.57 0.01 0.05 0.00 -0.01 0.00 0.00 39.48 40.10 2aw4 n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aw4 n GLY 92 N 2.72 0.73 3.60 1.37 0.00 0.10 -4.94 105.19 108.76 2aw4 n GLY 92 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2aw4 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aw4 s SER 93 N -1.08 6.36 -0.37 1.61 0.01 -1.26 -4.86 113.70 114.11 2aw4 s SER 93 Ca 0.76 0.31 -0.11 0.00 1.31 0.00 0.00 55.95 58.22 2aw4 s SER 93 Cb -0.40 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2aw4 s SER 93 CO 0.46 -0.33 0.20 -0.63 0.41 0.00 0.00 173.24 173.36 2aw4 s ILE 94 N 2.29 4.54 0.00 1.44 -1.09 -1.26 -4.79 121.20 122.34 2aw4 s ILE 94 Ca 0.19 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 2aw4 s ILE 94 Cb -0.16 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 2aw4 s ILE 94 CO 0.11 -0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.19 2aw4 n GLY 95 N 4.99 -0.17 0.42 6.18 0.00 -1.26 -4.44 105.19 110.91 2aw4 n GLY 95 Ca -0.12 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2aw4 n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aw4 n THR 96 N -0.12 0.69 0.07 2.61 -2.24 -1.26 -4.70 114.28 109.33 2aw4 n THR 96 Ca 0.00 -0.21 -0.03 0.00 -2.27 0.00 0.00 64.05 61.54 2aw4 n THR 96 Cb 0.00 -1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 66.80 2aw4 n THR 96 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2aw4 h ARG 97 N -0.30 -0.19 -0.43 -0.78 2.43 -1.95 -2.97 114.38 110.18 2aw4 h ARG 97 Ca -0.30 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.01 2aw4 h ARG 97 Cb 1.33 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 2aw4 h ARG 97 CO -0.14 -0.13 0.41 -0.44 -1.51 0.00 0.00 179.97 178.16 2aw4 h ASP 98 N -0.20 0.00 0.82 -3.80 3.32 -1.90 0.64 116.42 115.31 2aw4 h ASP 98 Ca -0.02 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2aw4 h ASP 98 Cb 0.17 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 2aw4 h ASP 98 CO 0.00 0.00 -0.40 0.40 -1.72 0.00 0.00 179.24 177.53 2aw4 h ILE 99 N 0.00 0.02 0.05 0.35 1.08 -1.82 -2.99 117.51 114.21 2aw4 h ILE 99 Ca 0.21 -0.18 -0.07 0.00 -0.39 0.00 0.00 64.86 64.42 2aw4 h ILE 99 Cb 1.03 0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.81 2aw4 h ILE 99 CO -0.00 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.14 2aw4 h ALA 100 N -1.26 -0.03 0.00 1.87 0.00 -1.26 -3.30 119.26 115.28 2aw4 h ALA 100 Ca -0.11 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2aw4 h ALA 100 Cb 0.85 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2aw4 h ALA 100 CO 0.19 0.14 0.01 -3.47 0.00 0.00 0.00 179.25 176.12 2aw4 n ASP 101 N -4.42 0.00 0.00 0.00 2.03 0.22 -2.13 116.55 112.25 2aw4 n ASP 101 Ca -0.11 0.25 0.11 0.00 0.52 0.00 0.00 54.79 55.55 2aw4 n ASP 101 Cb 0.61 -0.25 0.62 0.00 -0.72 0.00 0.00 41.12 41.38 2aw4 n ASP 101 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aw4 n ALA 102 N -1.24 2.28 -0.07 -1.67 0.00 -1.13 -3.14 120.51 115.54 2aw4 n ALA 102 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 2aw4 n ALA 102 Cb 0.01 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.97 2aw4 n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2aw4 n VAL 103 N -1.01 1.54 -0.04 0.00 0.24 -0.91 -4.29 118.33 113.86 2aw4 n VAL 103 Ca 0.16 -0.74 -0.10 0.00 -2.04 0.00 0.00 64.34 61.63 2aw4 n VAL 103 Cb 0.07 -1.07 0.06 0.00 -1.47 0.00 0.00 33.84 31.43 2aw4 n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2aw4 n THR 104 N -3.08 1.98 1.79 3.34 5.66 -0.60 -3.73 114.28 119.64 2aw4 n THR 104 Ca -0.32 -0.85 0.12 0.00 -3.05 0.00 0.00 64.05 59.94 2aw4 n THR 104 Cb 1.07 -0.95 0.62 0.00 -1.55 0.00 0.00 70.33 69.52 2aw4 n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2aw4 n ALA 105 N 0.09 2.61 0.00 1.79 0.00 -1.26 -3.58 120.51 120.15 2aw4 n ALA 105 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2aw4 n ALA 105 Cb 0.83 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2aw4 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 n ALA 106 N -0.51 1.01 0.00 0.00 0.00 -1.24 -5.10 120.51 114.67 2aw4 n ALA 106 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2aw4 n ALA 106 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2aw4 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 107 N 0.51 -0.37 3.30 0.00 0.00 -1.23 -5.15 105.19 102.24 2aw4 n GLY 107 Ca 0.00 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 2aw4 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aw4 n VAL 108 N 0.00 0.58 -4.25 1.61 0.24 -1.26 -4.52 118.33 110.73 2aw4 n VAL 108 Ca 0.00 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.34 61.62 2aw4 n VAL 108 Cb 0.00 -0.02 -0.11 0.00 -1.47 0.00 0.00 33.84 32.24 2aw4 n VAL 108 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2aw4 s GLU 109 N -1.03 1.05 0.00 7.34 2.02 -1.26 -1.56 118.70 125.26 2aw4 s GLU 109 Ca 0.59 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2aw4 s GLU 109 Cb -0.61 -0.89 0.00 0.00 0.10 0.00 0.00 34.13 32.73 2aw4 s GLU 109 CO 0.63 0.16 0.00 1.33 0.02 0.00 0.00 175.26 177.41 2aw4 n VAL 110 N 0.39 0.00 -4.21 2.63 0.24 -1.26 -5.03 118.33 111.08 2aw4 n VAL 110 Ca -0.14 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.85 2aw4 n VAL 110 Cb 0.58 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.78 2aw4 n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aw4 s ALA 111 N -2.00 1.92 -0.52 2.33 0.00 -1.26 -5.00 121.76 117.23 2aw4 s ALA 111 Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.09 2aw4 s ALA 111 Cb 0.00 -1.01 0.31 0.00 0.00 0.00 0.00 23.12 22.42 2aw4 s ALA 111 CO 0.00 -0.27 1.07 0.36 0.00 0.00 0.00 175.76 176.93 2aw4 n LYS 112 N 4.54 0.04 -0.04 0.00 -0.00 -1.26 -2.14 118.16 119.29 2aw4 n LYS 112 Ca -0.18 0.45 0.02 0.00 -0.00 0.00 0.00 58.31 58.60 2aw4 n LYS 112 Cb 0.50 -1.77 0.06 0.00 -0.00 0.00 0.00 35.03 33.83 2aw4 n LYS 112 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2aw4 n SER 113 N -1.64 0.43 -0.42 -5.58 3.41 -1.26 -3.85 113.62 104.71 2aw4 n SER 113 Ca -0.00 -1.98 0.05 0.00 -0.26 0.00 0.00 58.87 56.68 2aw4 n SER 113 Cb 0.15 -0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2aw4 n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aw4 n GLU 114 N -0.28 0.46 -1.79 4.33 1.02 -0.91 -5.01 120.64 118.47 2aw4 n GLU 114 Ca 0.03 -1.12 -0.38 0.00 -0.02 0.00 0.00 57.16 55.67 2aw4 n GLU 114 Cb 0.07 -1.20 0.05 0.00 -0.02 0.00 0.00 31.44 30.34 2aw4 n GLU 114 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2aw4 s VAL 115 N -0.88 2.11 -0.38 2.62 -7.23 -1.25 0.54 120.40 115.93 2aw4 s VAL 115 Ca 0.12 0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 2aw4 s VAL 115 Cb 0.09 -3.04 0.12 0.00 0.56 0.00 0.00 36.38 34.11 2aw4 s VAL 115 CO 0.13 -0.01 0.17 -0.60 -0.31 0.00 0.00 175.10 174.48 2aw4 s ARG 116 N -3.08 1.09 -0.29 4.82 3.52 -1.18 -4.68 118.95 119.15 2aw4 s ARG 116 Ca 0.75 -1.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.74 2aw4 s ARG 116 Cb -0.39 -2.29 0.20 0.00 -1.56 0.00 0.00 34.95 30.91 2aw4 s ARG 116 CO 0.44 -1.07 0.63 -0.51 -0.81 0.00 0.00 175.30 173.98 2aw4 s LEU 117 N 0.88 -1.48 0.00 -0.88 1.02 -1.26 -4.06 118.68 112.90 2aw4 s LEU 117 Ca 0.14 0.34 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2aw4 s LEU 117 Cb -0.21 2.00 0.00 0.00 0.02 0.00 0.00 46.19 48.00 2aw4 s LEU 117 CO -0.10 -0.27 0.82 -2.65 0.02 0.00 0.00 176.35 174.17 2aw4 n PRO 118 N 5.40 0.00 -1.84 1.29 -0.02 -1.26 -4.62 135.00 133.96 2aw4 n PRO 118 Ca 0.04 0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 61.65 2aw4 n PRO 118 Cb 0.54 -1.32 0.06 0.00 -0.02 0.00 0.00 33.50 32.75 2aw4 n PRO 118 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2aw4 s ASN 119 N -2.36 4.81 0.70 2.55 3.84 -1.26 -4.97 114.94 118.26 2aw4 s ASN 119 Ca 0.00 2.55 -0.13 0.00 0.21 0.00 0.00 52.86 55.49 2aw4 s ASN 119 Cb 0.00 -2.61 0.02 0.00 -0.55 0.00 0.00 41.25 38.11 2aw4 s ASN 119 CO 0.00 -1.86 1.10 -0.83 -2.79 0.00 0.00 177.10 172.72 2aw4 s GLY 120 N -1.45 1.95 -0.11 1.21 0.00 -1.26 -4.94 107.32 102.72 2aw4 s GLY 120 Ca 0.81 0.42 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 2aw4 s GLY 120 CO 0.38 0.77 0.98 0.14 0.00 0.00 0.00 173.10 175.36 2aw4 s VAL 121 N -2.58 4.80 0.20 1.40 1.01 -1.26 -4.97 120.40 119.00 2aw4 s VAL 121 Ca 0.64 1.98 -0.33 0.00 0.00 0.00 0.00 61.98 64.28 2aw4 s VAL 121 Cb -0.19 -4.29 -0.13 0.00 0.00 0.00 0.00 36.38 31.77 2aw4 s VAL 121 CO 0.47 0.02 1.55 0.18 0.00 0.00 0.00 175.10 177.32 2aw4 n LEU 122 N 4.99 3.33 -4.01 3.92 4.32 -1.26 -4.75 117.00 123.55 2aw4 n LEU 122 Ca 0.08 1.10 -0.36 0.00 -0.02 0.00 0.00 56.01 56.81 2aw4 n LEU 122 Cb 0.49 -1.46 -0.07 0.00 -1.62 0.00 0.00 43.42 40.75 2aw4 n LEU 122 CO 0.51 -0.25 1.74 0.54 -1.22 0.00 0.00 177.39 178.72 2aw4 n ARG 123 N 2.96 1.23 0.00 3.23 1.74 -1.26 -4.82 116.66 119.74 2aw4 n ARG 123 Ca 0.14 -1.94 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 2aw4 n ARG 123 Cb 0.31 -3.22 0.00 0.00 -1.02 0.00 0.00 32.46 28.53 2aw4 n ARG 123 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2aw4 n THR 124 N 6.99 0.00 -0.02 0.55 -1.04 -1.26 -4.35 114.28 115.16 2aw4 n THR 124 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 2aw4 n THR 124 Cb 0.43 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 2aw4 n THR 124 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2aw4 n THR 125 N 0.00 0.00 -0.10 12.58 5.66 -1.26 -4.74 114.28 126.41 2aw4 n THR 125 Ca 0.00 -0.11 -0.02 0.00 -3.05 0.00 0.00 64.05 60.87 2aw4 n THR 125 Cb 0.00 1.02 0.02 0.00 -1.55 0.00 0.00 70.33 69.82 2aw4 n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2aw4 n GLY 126 N 0.21 -3.52 3.52 1.09 0.00 -1.26 -1.92 105.19 103.31 2aw4 n GLY 126 Ca 0.00 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 2aw4 n GLY 126 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2aw4 n GLU 127 N -2.14 0.49 -1.57 1.61 2.13 -1.26 -4.44 120.64 115.46 2aw4 n GLU 127 Ca 0.01 -1.72 -0.41 0.00 0.66 0.00 0.00 57.16 55.70 2aw4 n GLU 127 Cb 0.04 -3.51 -0.04 0.00 0.27 0.00 0.00 31.44 28.20 2aw4 n GLU 127 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2aw4 n HIS 128 N 15.51 1.73 -2.50 4.31 -0.00 0.15 -4.83 115.22 129.58 2aw4 n HIS 128 Ca 0.44 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.72 57.74 2aw4 n HIS 128 Cb 0.45 -2.68 -0.04 0.00 -0.00 0.00 0.00 29.99 27.72 2aw4 n HIS 128 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2aw4 s GLU 129 N 7.06 4.61 -0.37 1.57 2.02 -1.26 0.32 118.70 132.65 2aw4 s GLU 129 Ca 1.01 1.74 0.00 0.00 0.02 0.00 0.00 54.97 57.75 2aw4 s GLU 129 Cb -0.33 -3.25 0.13 0.00 0.10 0.00 0.00 34.13 30.77 2aw4 s GLU 129 CO 0.33 0.12 0.19 0.08 0.02 0.00 0.00 175.26 176.00 2aw4 s VAL 130 N -0.51 0.76 -1.14 2.63 1.01 0.77 -4.89 120.40 119.03 2aw4 s VAL 130 Ca 0.48 -1.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.36 2aw4 s VAL 130 Cb -0.30 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.58 2aw4 s VAL 130 CO 0.36 -0.87 1.59 -0.94 0.00 0.00 0.00 175.10 175.25 2aw4 s SER 131 N 0.99 6.61 -0.11 3.32 1.04 -1.26 0.23 113.70 124.52 2aw4 s SER 131 Ca 0.15 -1.87 -0.39 0.00 0.48 0.00 0.00 55.95 54.32 2aw4 s SER 131 Cb -0.22 -2.57 -0.16 0.00 0.10 0.00 0.00 66.02 63.16 2aw4 s SER 131 CO -0.08 -1.40 1.53 0.33 0.98 0.00 0.00 173.24 174.60 2aw4 n PHE 132 N 8.83 1.75 -3.53 5.02 7.35 -1.05 -3.12 117.46 132.71 2aw4 n PHE 132 Ca 0.40 0.62 -0.27 0.00 -0.76 0.00 0.00 57.45 57.44 2aw4 n PHE 132 Cb 0.49 -2.38 -0.09 0.00 0.35 0.00 0.00 39.48 37.85 2aw4 n PHE 132 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 2aw4 n GLN 133 N 3.91 2.32 0.49 -4.13 7.27 0.19 0.89 117.38 128.32 2aw4 n GLN 133 Ca 0.23 -4.60 -0.20 0.00 0.07 0.00 0.00 57.00 52.50 2aw4 n GLN 133 Cb 0.15 -2.24 -0.10 0.00 2.41 0.00 0.00 30.24 30.46 2aw4 n GLN 133 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 2aw4 h VAL 134 N 3.44 0.00 -4.15 1.69 3.04 -1.67 -3.41 116.25 115.19 2aw4 h VAL 134 Ca 0.19 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.74 2aw4 h VAL 134 Cb 0.69 0.00 -0.17 0.00 -2.01 0.00 0.00 31.29 29.80 2aw4 h VAL 134 CO 0.80 0.00 -0.69 -2.28 -1.01 0.00 0.00 177.57 174.39 2aw4 s HIS 135 N -5.95 0.46 0.19 3.17 5.65 -1.08 -4.88 115.29 112.85 2aw4 s HIS 135 Ca -0.20 -0.91 -0.12 0.00 0.25 0.00 0.00 55.06 54.09 2aw4 s HIS 135 Cb 0.02 -0.34 0.19 0.00 -1.18 0.00 0.00 32.58 31.27 2aw4 s HIS 135 CO 0.60 -0.31 1.76 0.77 -0.65 0.00 0.00 174.74 176.90 2aw4 h SER 136 N 3.58 0.26 -0.88 9.88 0.02 -2.01 -1.61 113.55 122.78 2aw4 h SER 136 Ca -0.34 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 60.79 2aw4 h SER 136 Cb 1.16 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.65 2aw4 h SER 136 CO 0.59 0.18 0.57 -0.08 -1.14 0.00 0.00 176.83 176.94 2aw4 h GLU 137 N 0.42 0.74 -3.85 3.45 4.57 -2.00 -3.41 114.58 114.51 2aw4 h GLU 137 Ca 0.25 -0.04 -0.36 0.00 -1.18 0.00 0.00 59.36 58.03 2aw4 h GLU 137 Cb 0.24 -0.17 -0.33 0.00 -0.16 0.00 0.00 28.75 28.33 2aw4 h GLU 137 CO -0.23 0.49 -0.75 0.14 -1.18 0.00 0.00 179.01 177.48 2aw4 s VAL 138 N -5.73 0.29 0.27 0.32 -7.23 -0.61 -5.10 120.40 102.62 2aw4 s VAL 138 Ca -0.10 -0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.15 2aw4 s VAL 138 Cb 0.21 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.76 2aw4 s VAL 138 CO 0.79 0.16 0.08 -0.36 -0.31 0.00 0.00 175.10 175.46 2aw4 s PHE 139 N 0.87 2.81 0.08 2.82 0.40 -1.26 -2.63 117.98 121.07 2aw4 s PHE 139 Ca -0.10 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2aw4 s PHE 139 Cb -0.13 -1.32 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 2aw4 s PHE 139 CO -0.01 0.55 0.05 0.00 0.70 0.00 0.00 175.22 176.50 2aw4 n ALA 140 N -1.02 0.14 -3.37 5.36 0.00 0.26 -4.03 120.51 117.85 2aw4 n ALA 140 Ca -0.06 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 2aw4 n ALA 140 Cb 0.59 0.32 -0.15 0.00 0.00 0.00 0.00 19.45 20.21 2aw4 n ALA 140 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2aw4 s LYS 141 N -2.31 0.03 0.20 0.00 3.01 -1.26 -2.53 119.74 116.87 2aw4 s LYS 141 Ca 0.07 0.16 -0.01 0.00 -1.01 0.00 0.00 55.97 55.18 2aw4 s LYS 141 Cb 0.00 -0.11 -0.04 0.00 -1.01 0.00 0.00 37.83 36.67 2aw4 s LYS 141 CO 0.05 -0.09 0.11 0.08 0.51 0.00 0.00 175.35 176.00 2aw4 s VAL 142 N 0.61 0.11 0.18 3.17 1.01 0.63 -4.36 120.40 121.76 2aw4 s VAL 142 Ca -0.05 -1.99 -0.00 0.00 0.00 0.00 0.00 61.98 59.94 2aw4 s VAL 142 Cb -0.07 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2aw4 s VAL 142 CO -0.02 -0.08 0.08 0.27 0.00 0.00 0.00 175.10 175.35 2aw4 s ILE 143 N -4.08 0.24 -0.07 2.22 -4.36 -1.26 -0.17 121.20 113.73 2aw4 s ILE 143 Ca 0.36 -1.97 -0.15 0.00 -0.26 0.00 0.00 60.65 58.64 2aw4 s ILE 143 Cb 0.07 -2.32 0.03 0.00 1.25 0.00 0.00 42.46 41.49 2aw4 s ILE 143 CO 0.11 -0.22 0.35 -0.69 0.24 0.00 0.00 174.94 174.73 2aw4 s VAL 144 N -3.97 0.03 -0.01 8.37 1.01 0.15 -4.51 120.40 121.46 2aw4 s VAL 144 Ca 0.32 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2aw4 s VAL 144 Cb 0.07 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.86 2aw4 s VAL 144 CO 0.08 -0.14 0.16 0.21 0.00 0.00 0.00 175.10 175.41 2aw4 s ASN 145 N -0.68 -0.04 0.11 3.32 2.47 -0.94 0.30 114.94 119.48 2aw4 s ASN 145 Ca -0.08 -0.06 0.05 0.00 0.42 0.00 0.00 52.86 53.20 2aw4 s ASN 145 Cb -0.04 0.25 -0.04 0.00 -1.45 0.00 0.00 41.25 39.97 2aw4 s ASN 145 CO 0.03 -0.31 0.03 -0.69 -3.72 0.00 0.00 177.10 172.44 2aw4 s VAL 146 N -1.05 4.08 0.31 -5.21 1.01 -0.81 -2.49 120.40 116.24 2aw4 s VAL 146 Ca -0.11 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.83 2aw4 s VAL 146 Cb -0.06 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2aw4 s VAL 146 CO 0.01 0.05 0.09 -0.69 0.00 0.00 0.00 175.10 174.56 2aw4 s VAL 147 N -1.45 0.79 0.03 2.92 1.01 -1.26 -4.83 120.40 117.61 2aw4 s VAL 147 Ca 0.27 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.21 2aw4 s VAL 147 Cb -0.11 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2aw4 s VAL 147 CO 0.19 0.00 0.26 0.00 0.00 0.00 0.00 175.10 175.55 2aw4 s ALA 148 N -3.50 3.89 0.00 5.51 0.00 -1.26 -3.93 121.76 122.46 2aw4 s ALA 148 Ca 0.36 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2aw4 s ALA 148 Cb 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2aw4 s ALA 148 CO 0.15 0.70 0.00 -0.85 0.00 0.00 0.00 175.76 175.76