#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 s THR 6 N 0.00 3.21 0.08 3.45 -4.23 -1.26 -4.84 115.64 112.05 1hr0 s THR 6 Ca 0.00 0.39 -0.21 0.00 -1.18 0.00 0.00 61.69 60.69 1hr0 s THR 6 Cb 0.00 -2.98 -0.12 0.00 1.34 0.00 0.00 72.50 70.74 1hr0 s THR 6 CO 0.00 -0.51 1.61 0.40 -0.54 0.00 0.00 174.62 175.58 1hr0 h ILE 7 N -1.17 1.15 -0.90 2.99 1.08 -2.05 -1.00 117.51 117.61 1hr0 h ILE 7 Ca -0.46 -0.46 0.16 0.00 -0.39 0.00 0.00 64.86 63.71 1hr0 h ILE 7 Cb 1.25 1.23 -0.10 0.00 -3.07 0.00 0.00 36.82 36.13 1hr0 h ILE 7 CO 0.55 0.14 0.49 -1.13 -0.69 0.00 0.00 178.15 177.51 1hr0 h ASN 8 N 0.04 0.60 -0.28 1.72 -1.24 -1.99 0.61 115.58 115.04 1hr0 h ASN 8 Ca 0.04 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 1hr0 h ASN 8 Cb 0.17 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1hr0 h ASN 8 CO -0.00 0.24 0.15 1.56 -1.29 0.00 0.00 177.43 178.09 1hr0 h GLN 9 N 0.67 0.39 -0.24 6.67 4.20 -1.77 -1.05 115.11 123.98 1hr0 h GLN 9 Ca 0.50 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.22 1hr0 h GLN 9 Cb 0.73 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 1hr0 h GLN 9 CO -0.37 0.33 -0.14 -0.07 -0.67 0.00 0.00 178.83 177.91 1hr0 h LEU 10 N 0.34 -0.46 -0.99 1.46 3.38 0.38 0.45 115.31 119.87 1hr0 h LEU 10 Ca 0.10 0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.32 1hr0 h LEU 10 Cb 0.06 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 1hr0 h LEU 10 CO -0.02 -0.18 0.60 0.58 0.09 0.00 0.00 178.44 179.52 1hr0 h VAL 11 N -0.12 0.82 0.39 1.22 2.07 -0.74 2.10 116.25 121.99 1hr0 h VAL 11 Ca 0.13 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1hr0 h VAL 11 Cb 0.32 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1hr0 h VAL 11 CO -0.31 0.16 -0.19 0.03 0.02 0.00 0.00 177.57 177.28 1hr0 h ARG 12 N 0.87 -0.50 0.00 1.57 3.08 0.51 -3.40 114.38 116.51 1hr0 h ARG 12 Ca 0.52 0.03 -0.37 0.00 0.07 0.00 0.00 59.98 60.23 1hr0 h ARG 12 Cb 0.65 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.75 1hr0 h ARG 12 CO -0.32 -0.27 -2.40 1.63 -1.07 0.00 0.00 179.97 177.54 1hr0 n LYS 13 N -5.13 0.68 -1.10 0.04 5.02 0.13 -5.10 118.16 112.71 1hr0 n LYS 13 Ca -0.07 0.05 0.14 0.00 -2.02 0.00 0.00 58.31 56.41 1hr0 n LYS 13 Cb 0.24 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1hr0 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hr0 n GLY 14 N 1.91 -2.32 3.85 0.72 0.00 0.71 -4.89 105.19 105.18 1hr0 n GLY 14 Ca -0.37 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 1hr0 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hr0 s ARG 15 N -2.72 3.83 -0.27 1.61 1.81 -1.26 -4.96 118.95 116.98 1hr0 s ARG 15 Ca 0.00 0.87 -0.06 0.00 -1.72 0.00 0.00 55.73 54.82 1hr0 s ARG 15 Cb 0.00 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.38 1hr0 s ARG 15 CO 0.00 -0.36 0.04 -2.00 -0.68 0.00 0.00 175.30 172.30 1hr0 s GLU 16 N -4.43 3.18 0.32 3.54 2.12 -1.26 -5.08 118.70 117.07 1hr0 s GLU 16 Ca 0.57 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.83 1hr0 s GLU 16 Cb -0.10 -3.26 -0.10 0.00 0.26 0.00 0.00 34.13 30.92 1hr0 s GLU 16 CO 0.39 -0.37 1.41 0.15 -0.54 0.00 0.00 175.26 176.30 1hr0 s LYS 17 N 1.49 4.25 0.30 4.30 -0.14 -1.26 -4.96 119.74 123.72 1hr0 s LYS 17 Ca 0.03 2.35 -0.29 0.00 -1.36 0.00 0.00 55.97 56.71 1hr0 s LYS 17 Cb -0.16 -3.05 -0.10 0.00 -1.68 0.00 0.00 37.83 32.84 1hr0 s LYS 17 CO 0.01 -0.37 1.14 0.08 -0.76 0.00 0.00 175.35 175.45 1hr0 s VAL 18 N -0.73 3.31 -0.31 3.17 1.01 -1.26 -5.02 120.40 120.57 1hr0 s VAL 18 Ca 0.54 1.30 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 1hr0 s VAL 18 Cb -0.43 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1hr0 s VAL 18 CO 0.52 0.29 0.14 -0.13 0.00 0.00 0.00 175.10 175.92 1hr0 s ARG 19 N -1.62 3.31 0.36 2.72 0.52 -1.26 -5.08 118.95 117.90 1hr0 s ARG 19 Ca 0.47 -0.73 -0.25 0.00 -0.52 0.00 0.00 55.73 54.69 1hr0 s ARG 19 Cb -0.33 -3.53 -0.09 0.00 0.52 0.00 0.00 34.95 31.51 1hr0 s ARG 19 CO 0.43 -0.42 1.01 0.15 0.02 0.00 0.00 175.30 176.49 1hr0 s LYS 20 N 1.60 4.36 -0.21 3.54 1.02 -1.26 -5.03 119.74 123.75 1hr0 s LYS 20 Ca 0.04 1.46 -0.00 0.00 0.02 0.00 0.00 55.97 57.49 1hr0 s LYS 20 Cb -0.17 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1hr0 s LYS 20 CO 0.06 0.04 -0.13 0.15 -0.92 0.00 0.00 175.35 174.55 1hr0 s LYS 21 N -2.27 2.95 0.39 1.68 1.02 -1.26 -5.09 119.74 117.16 1hr0 s LYS 21 Ca 0.54 -0.88 -0.25 0.00 0.02 0.00 0.00 55.97 55.41 1hr0 s LYS 21 Cb -0.21 -2.78 -0.12 0.00 -0.52 0.00 0.00 37.83 34.20 1hr0 s LYS 21 CO 0.27 -0.29 0.95 0.45 -0.92 0.00 0.00 175.35 175.81 1hr0 n SER 22 N 4.65 0.98 -0.72 2.83 2.88 -1.26 -4.90 113.62 118.08 1hr0 n SER 22 Ca -0.19 1.05 0.08 0.00 -1.33 0.00 0.00 58.87 58.49 1hr0 n SER 22 Cb 0.49 -1.31 0.23 0.00 -0.75 0.00 0.00 64.21 62.87 1hr0 n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1hr0 n LYS 23 N 0.34 2.50 -3.03 -1.46 5.02 -1.26 -4.78 118.16 115.48 1hr0 n LYS 23 Ca 0.10 -2.80 -0.15 0.00 -2.02 0.00 0.00 58.31 53.44 1hr0 n LYS 23 Cb 0.37 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1hr0 n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hr0 n VAL 24 N -0.75 -0.52 -0.91 -0.18 0.31 -1.26 -5.00 118.33 110.02 1hr0 n VAL 24 Ca 0.21 -2.21 -0.29 0.00 -0.01 0.00 0.00 64.34 62.04 1hr0 n VAL 24 Cb 0.84 -0.19 -0.03 0.00 -0.91 0.00 0.00 33.84 33.56 1hr0 n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1hr0 n PRO 25 N 2.65 2.00 -0.14 5.55 -0.02 -1.26 -4.28 135.00 139.49 1hr0 n PRO 25 Ca 0.22 -1.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.07 1hr0 n PRO 25 Cb 0.53 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1hr0 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hr0 n ALA 26 N 5.19 2.88 0.00 3.55 0.00 -1.26 -4.91 120.51 125.96 1hr0 n ALA 26 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1hr0 n ALA 26 Cb 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1hr0 n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hr0 n LEU 27 N 0.82 0.00 -0.77 0.00 7.94 -1.26 -3.53 117.00 120.20 1hr0 n LEU 27 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1hr0 n LEU 27 Cb 0.48 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1hr0 n LEU 27 CO 0.00 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.57 1hr0 n LYS 28 N -0.08 -0.96 -3.21 1.96 5.02 -1.26 -1.50 118.16 118.13 1hr0 n LYS 28 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1hr0 n LYS 28 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1hr0 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hr0 n GLY 29 N -0.14 -0.21 3.78 0.72 0.00 -1.26 -4.86 105.19 103.22 1hr0 n GLY 29 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1hr0 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hr0 s ALA 30 N -2.36 2.04 0.10 4.61 0.00 -0.56 -4.97 121.76 120.62 1hr0 s ALA 30 Ca 0.43 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.30 1hr0 s ALA 30 Cb -0.25 -3.13 -0.20 0.00 0.00 0.00 0.00 23.12 19.54 1hr0 s ALA 30 CO 0.57 -1.92 1.28 -1.35 0.00 0.00 0.00 175.76 174.34 1hr0 h PRO 31 N -1.23 0.00 -3.62 0.00 0.11 -1.91 -3.47 132.00 121.88 1hr0 h PRO 31 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1hr0 h PRO 31 Cb 1.27 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 1hr0 h PRO 31 CO 0.58 0.97 -0.23 -0.06 -0.21 0.00 0.00 178.00 179.05 1hr0 s PHE 32 N -2.72 0.01 -0.13 0.65 0.08 -1.26 -4.79 117.98 109.81 1hr0 s PHE 32 Ca 0.01 -0.38 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 1hr0 s PHE 32 Cb 0.10 0.09 0.05 0.00 -0.57 0.00 0.00 43.02 42.68 1hr0 s PHE 32 CO 0.82 -0.63 0.33 0.50 -0.10 0.00 0.00 175.22 176.14 1hr0 s ARG 33 N -3.84 0.33 0.00 0.44 6.06 -0.95 -5.01 118.95 115.98 1hr0 s ARG 33 Ca 0.05 0.59 -0.03 0.00 -2.50 0.00 0.00 55.73 53.84 1hr0 s ARG 33 Cb 0.03 0.01 -0.04 0.00 0.06 0.00 0.00 34.95 35.01 1hr0 s ARG 33 CO -0.11 -0.12 0.19 -0.98 -2.50 0.00 0.00 175.30 171.78 1hr0 s ARG 34 N 0.95 3.45 0.00 5.12 1.70 -1.26 -0.64 118.95 128.26 1hr0 s ARG 34 Ca -0.06 -0.32 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1hr0 s ARG 34 Cb -0.07 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.22 1hr0 s ARG 34 CO -0.07 0.67 0.00 0.41 -1.08 0.00 0.00 175.30 175.22 1hr0 n GLY 35 N 0.88 3.40 3.21 3.88 0.00 0.12 -1.57 105.19 115.11 1hr0 n GLY 35 Ca -0.10 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1hr0 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hr0 s VAL 36 N -2.35 1.49 0.33 1.61 1.01 0.15 -0.52 120.40 122.13 1hr0 s VAL 36 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 60.66 1hr0 s VAL 36 Cb 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 1hr0 s VAL 36 CO 0.00 0.21 1.14 0.00 0.00 0.00 0.00 175.10 176.46 1hr0 n THR 38 N 0.72 1.12 -3.76 0.00 -1.04 0.23 -3.98 114.28 107.58 1hr0 n THR 38 Ca 0.01 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 61.54 1hr0 n THR 38 Cb 0.45 -1.51 -0.11 0.00 -1.82 0.00 0.00 70.33 67.33 1hr0 n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1hr0 s VAL 39 N -2.38 -0.01 -0.79 12.58 1.01 -1.25 -4.92 120.40 124.64 1hr0 s VAL 39 Ca -0.28 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1hr0 s VAL 39 Cb 0.09 -0.42 0.32 0.00 0.00 0.00 0.00 36.38 36.38 1hr0 s VAL 39 CO 0.40 0.01 1.28 0.52 0.00 0.00 0.00 175.10 177.32 1hr0 n VAL 40 N 3.24 4.27 0.00 2.92 0.31 -1.26 -1.41 118.33 126.40 1hr0 n VAL 40 Ca -0.16 -5.72 0.00 0.00 -0.01 0.00 0.00 64.34 58.45 1hr0 n VAL 40 Cb 0.57 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1hr0 n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1hr0 n ARG 41 N 0.06 2.39 -3.67 5.55 0.63 -1.22 -4.85 116.66 115.56 1hr0 n ARG 41 Ca 0.36 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 57.15 1hr0 n ARG 41 Cb 0.34 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.17 1hr0 n ARG 41 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1hr0 s THR 42 N 0.00 0.01 0.09 5.15 2.01 -1.26 -3.52 115.64 118.12 1hr0 s THR 42 Ca 0.00 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.95 1hr0 s THR 42 Cb 0.00 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1hr0 s THR 42 CO 0.00 -0.05 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.06 1hr0 s VAL 43 N -0.38 1.07 0.14 3.82 1.01 -0.30 -4.94 120.40 120.82 1hr0 s VAL 43 Ca -0.05 -1.49 -0.15 0.00 0.00 0.00 0.00 61.98 60.28 1hr0 s VAL 43 Cb -0.03 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1hr0 s VAL 43 CO 0.04 -0.38 0.56 0.42 0.00 0.00 0.00 175.10 175.74 1hr0 s THR 44 N -1.85 4.82 1.17 3.92 -4.23 -1.26 -1.35 115.64 116.86 1hr0 s THR 44 Ca 0.02 0.93 -0.19 0.00 -1.18 0.00 0.00 61.69 61.26 1hr0 s THR 44 Cb -0.07 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.31 1hr0 s THR 44 CO 0.02 0.29 0.69 -2.65 -0.54 0.00 0.00 174.62 172.42 1hr0 n PRO 45 N 0.95 -4.25 0.00 3.99 -0.02 -1.25 -4.89 135.00 129.54 1hr0 n PRO 45 Ca -0.06 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.27 1hr0 n PRO 45 Cb 0.52 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1hr0 n PRO 45 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1hr0 n LYS 46 N -4.96 3.12 0.00 -0.52 4.81 -1.18 -4.87 118.16 114.55 1hr0 n LYS 46 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1hr0 n LYS 46 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1hr0 n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1hr0 n LYS 47 N 0.00 0.00 -0.10 1.64 5.02 -1.26 -1.09 118.16 122.38 1hr0 n LYS 47 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1hr0 n LYS 47 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1hr0 n LYS 47 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1hr0 n PRO 48 N -2.08 1.54 -4.29 1.97 -0.04 -1.26 -5.05 135.00 125.78 1hr0 n PRO 48 Ca 0.00 -1.98 -0.26 0.00 -0.04 0.00 0.00 63.50 61.22 1hr0 n PRO 48 Cb 0.00 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 1hr0 n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1hr0 s ASN 49 N -1.98 4.31 0.01 3.54 0.02 -0.25 -5.13 114.94 115.46 1hr0 s ASN 49 Ca 0.18 -0.59 0.01 0.00 -1.02 0.00 0.00 52.86 51.44 1hr0 s ASN 49 Cb 0.15 -0.75 -0.01 0.00 0.02 0.00 0.00 41.25 40.67 1hr0 s ASN 49 CO 0.02 0.09 -0.04 -0.55 0.02 0.00 0.00 177.10 176.63 1hr0 s SER 50 N -2.98 0.49 0.00 -1.22 0.15 -1.26 -4.17 113.70 104.71 1hr0 s SER 50 Ca 0.26 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1hr0 s SER 50 Cb -0.08 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1hr0 s SER 50 CO 0.16 -0.03 0.00 0.00 1.20 0.00 0.00 173.24 174.57 1hr0 n ALA 51 N 2.59 0.00 -3.77 5.45 0.00 -1.26 -4.91 120.51 118.61 1hr0 n ALA 51 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1hr0 n ALA 51 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1hr0 n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hr0 n LEU 52 N 0.00 3.51 -4.71 0.00 4.77 -1.26 -3.86 117.00 115.45 1hr0 n LEU 52 Ca 0.00 -5.21 -0.43 0.00 -0.03 0.00 0.00 56.01 50.34 1hr0 n LEU 52 Cb 0.00 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 1hr0 n LEU 52 CO 0.00 1.72 1.18 0.54 -1.33 0.00 0.00 177.39 179.50 1hr0 n ARG 53 N 1.95 2.45 -2.87 3.23 3.00 -0.46 -4.69 116.66 119.28 1hr0 n ARG 53 Ca 0.21 0.87 -0.41 0.00 -0.01 0.00 0.00 57.85 58.52 1hr0 n ARG 53 Cb 0.36 -2.62 -0.04 0.00 0.00 0.00 0.00 32.46 30.16 1hr0 n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1hr0 s LYS 54 N -0.25 4.37 0.39 5.56 3.01 -1.26 -1.15 119.74 130.41 1hr0 s LYS 54 Ca 0.67 1.09 0.03 0.00 -1.01 0.00 0.00 55.97 56.75 1hr0 s LYS 54 Cb -0.56 -3.54 -0.04 0.00 -1.01 0.00 0.00 37.83 32.69 1hr0 s LYS 54 CO 0.47 -0.23 0.10 0.08 0.51 0.00 0.00 175.35 176.28 1hr0 s VAL 55 N 1.77 0.82 -0.28 3.17 1.01 -1.23 -1.75 120.40 123.91 1hr0 s VAL 55 Ca 0.41 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.24 1hr0 s VAL 55 Cb -0.17 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 33.83 1hr0 s VAL 55 CO 0.16 0.00 0.72 0.00 0.00 0.00 0.00 175.10 175.98 1hr0 s ALA 56 N -3.22 -1.96 0.23 5.51 0.00 -0.60 -3.45 121.76 118.26 1hr0 s ALA 56 Ca 0.26 2.39 -0.30 0.00 0.00 0.00 0.00 51.96 54.31 1hr0 s ALA 56 Cb 0.04 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.56 1hr0 s ALA 56 CO 0.14 -0.46 1.01 0.15 0.00 0.00 0.00 175.76 176.60 1hr0 s LYS 57 N 1.79 4.75 -0.03 0.00 -0.14 -0.50 -1.06 119.74 124.55 1hr0 s LYS 57 Ca -0.09 1.61 0.02 0.00 -1.36 0.00 0.00 55.97 56.15 1hr0 s LYS 57 Cb -0.06 -3.26 0.01 0.00 -1.68 0.00 0.00 37.83 32.84 1hr0 s LYS 57 CO -0.19 0.35 -0.09 0.08 -0.76 0.00 0.00 175.35 174.73 1hr0 s VAL 58 N -0.95 0.82 -0.49 3.17 1.01 0.32 -0.60 120.40 123.68 1hr0 s VAL 58 Ca 0.44 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1hr0 s VAL 58 Cb -0.28 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.40 1hr0 s VAL 58 CO 0.35 0.26 0.66 -0.60 0.00 0.00 0.00 175.10 175.77 1hr0 s ARG 59 N 0.35 3.19 0.61 2.72 6.06 0.88 -0.28 118.95 132.47 1hr0 s ARG 59 Ca -0.06 -0.66 -0.13 0.00 -2.50 0.00 0.00 55.73 52.38 1hr0 s ARG 59 Cb -0.10 -4.04 -0.04 0.00 0.06 0.00 0.00 34.95 30.82 1hr0 s ARG 59 CO 0.01 -1.18 1.03 -0.51 -2.50 0.00 0.00 175.30 172.15 1hr0 s LEU 60 N 2.82 3.34 0.18 -0.88 2.01 0.30 -0.67 118.68 125.78 1hr0 s LEU 60 Ca 0.19 1.55 0.25 0.00 0.01 0.00 0.00 54.13 56.13 1hr0 s LEU 60 Cb -0.17 -4.49 0.91 0.00 0.01 0.00 0.00 46.19 42.44 1hr0 s LEU 60 CO 0.15 -0.98 1.76 0.35 1.01 0.00 0.00 176.35 178.64 1hr0 n THR 61 N -2.47 0.60 1.88 5.49 -2.24 -0.61 -1.94 114.28 114.99 1hr0 n THR 61 Ca 0.07 -0.07 0.15 0.00 -2.27 0.00 0.00 64.05 61.92 1hr0 n THR 61 Cb 0.54 -0.75 0.89 0.00 -2.10 0.00 0.00 70.33 68.91 1hr0 n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1hr0 n SER 62 N -2.10 0.00 0.00 3.42 3.41 -1.26 -4.87 113.62 112.22 1hr0 n SER 62 Ca 0.05 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1hr0 n SER 62 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1hr0 n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hr0 n GLY 63 N 0.88 2.83 3.76 5.00 0.00 -0.82 -4.94 105.19 111.90 1hr0 n GLY 63 Ca 0.23 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1hr0 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hr0 s TYR 64 N -1.76 2.54 -0.29 1.61 1.51 -1.26 -4.68 117.35 115.02 1hr0 s TYR 64 Ca 0.00 1.54 -0.01 0.00 -1.01 0.00 0.00 57.07 57.58 1hr0 s TYR 64 Cb 0.00 -3.06 0.09 0.00 -0.11 0.00 0.00 41.96 38.88 1hr0 s TYR 64 CO 0.00 -1.86 0.09 -1.21 -1.11 0.00 0.00 175.55 171.46 1hr0 s GLU 65 N -4.90 0.64 0.41 -0.62 8.01 -1.25 0.11 118.70 121.10 1hr0 s GLU 65 Ca 0.61 -0.92 0.07 0.00 0.01 0.00 0.00 54.97 54.75 1hr0 s GLU 65 Cb -0.17 -1.89 -0.08 0.00 -4.31 0.00 0.00 34.13 27.68 1hr0 s GLU 65 CO 0.56 -0.95 0.01 0.14 0.01 0.00 0.00 175.26 175.03 1hr0 s VAL 66 N 1.71 2.01 -0.25 2.63 -7.23 0.61 -4.81 120.40 115.07 1hr0 s VAL 66 Ca 0.08 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.10 1hr0 s VAL 66 Cb -0.17 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 1hr0 s VAL 66 CO -0.25 -0.00 0.37 -0.89 -0.31 0.00 0.00 175.10 174.02 1hr0 s THR 67 N -2.71 5.19 0.11 5.32 2.01 -1.26 0.12 115.64 124.41 1hr0 s THR 67 Ca 0.35 0.60 0.09 0.00 0.31 0.00 0.00 61.69 63.04 1hr0 s THR 67 Cb 0.10 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1hr0 s THR 67 CO 0.18 0.19 -0.22 0.00 -0.69 0.00 0.00 174.62 174.08 1hr0 s ALA 68 N 1.82 2.54 0.25 7.40 0.00 -0.22 -3.74 121.76 129.80 1hr0 s ALA 68 Ca 0.16 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 1hr0 s ALA 68 Cb -0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.33 1hr0 s ALA 68 CO 0.09 0.57 0.69 -0.47 0.00 0.00 0.00 175.76 176.64 1hr0 s TYR 69 N -1.07 3.53 -0.41 0.00 5.04 0.27 -1.56 117.35 123.15 1hr0 s TYR 69 Ca 0.16 1.24 -0.07 0.00 -2.44 0.00 0.00 57.07 55.96 1hr0 s TYR 69 Cb -0.10 -2.53 0.09 0.00 0.35 0.00 0.00 41.96 39.77 1hr0 s TYR 69 CO 0.08 0.26 0.24 0.42 -1.34 0.00 0.00 175.55 175.20 1hr0 s ILE 70 N -1.69 3.87 0.53 3.14 1.01 -0.72 -0.82 121.20 126.52 1hr0 s ILE 70 Ca 0.46 -1.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.29 1hr0 s ILE 70 Cb -0.14 -3.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 1hr0 s ILE 70 CO 0.19 -0.56 1.08 -2.16 0.00 0.00 0.00 174.94 173.49 1hr0 s PRO 71 N 1.33 3.51 0.00 2.79 0.04 -1.26 -4.66 135.00 136.74 1hr0 s PRO 71 Ca 0.04 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1hr0 s PRO 71 Cb -0.23 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1hr0 s PRO 71 CO -0.00 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1hr0 n GLY 72 N -0.26 2.57 0.06 0.56 0.00 -1.26 -4.84 105.19 102.01 1hr0 n GLY 72 Ca 0.10 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 1hr0 n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hr0 h GLU 73 N 0.00 -0.02 -2.04 1.61 4.39 -1.95 -3.44 114.58 113.12 1hr0 h GLU 73 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1hr0 h GLU 73 Cb 0.00 0.01 -0.21 0.00 -0.10 0.00 0.00 28.75 28.44 1hr0 h GLU 73 CO 0.00 -0.02 -0.05 0.20 -1.16 0.00 0.00 179.01 177.98 1hr0 s GLY 74 N -2.24 -0.65 0.76 -3.84 0.00 -1.26 -5.15 107.32 94.93 1hr0 s GLY 74 Ca -0.13 2.34 -0.02 0.00 0.00 0.00 0.00 44.72 46.91 1hr0 s GLY 74 CO 0.66 2.60 1.04 -2.38 0.00 0.00 0.00 173.10 175.02 1hr0 s HIS 75 N 2.07 1.37 -0.20 1.90 -3.43 -1.26 -4.81 115.29 110.93 1hr0 s HIS 75 Ca -0.08 -0.30 0.20 0.00 -0.80 0.00 0.00 55.06 54.07 1hr0 s HIS 75 Cb -0.08 -3.09 0.47 0.00 -1.43 0.00 0.00 32.58 28.46 1hr0 s HIS 75 CO -0.19 -1.89 1.15 0.27 -2.00 0.00 0.00 174.74 172.07 1hr0 n ASN 76 N -2.96 2.06 -4.67 7.38 6.94 -1.26 -5.07 115.26 117.67 1hr0 n ASN 76 Ca 0.16 -2.51 -0.39 0.00 -0.02 0.00 0.00 54.58 51.82 1hr0 n ASN 76 Cb 0.61 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.55 1hr0 n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1hr0 s LEU 77 N -2.78 4.17 0.00 -4.53 1.43 -1.26 -4.83 118.68 110.87 1hr0 s LEU 77 Ca 0.34 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1hr0 s LEU 77 Cb 0.36 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1hr0 s LEU 77 CO -0.06 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.34 1hr0 n GLN 78 N 4.68 1.54 0.00 1.70 6.02 -1.26 -4.89 117.38 125.17 1hr0 n GLN 78 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1hr0 n GLN 78 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 1hr0 n GLN 78 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1hr0 n GLU 79 N 0.00 0.00 0.00 -1.09 1.02 -1.26 -4.51 120.64 114.80 1hr0 n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1hr0 n GLU 79 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1hr0 n GLU 79 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1hr0 n HIS 80 N 0.00 0.00 -2.66 -0.32 8.25 -1.26 -3.00 115.22 116.24 1hr0 n HIS 80 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1hr0 n HIS 80 Cb 0.00 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 1hr0 n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hr0 s SER 81 N 0.06 7.03 0.23 0.41 1.04 -1.26 -4.82 113.70 116.39 1hr0 s SER 81 Ca 0.00 1.25 -0.30 0.00 0.48 0.00 0.00 55.95 57.38 1hr0 s SER 81 Cb 0.00 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 1hr0 s SER 81 CO 0.00 -0.74 1.31 -0.69 0.98 0.00 0.00 173.24 174.10 1hr0 s VAL 82 N 3.35 3.07 0.15 5.02 1.01 -1.26 -2.65 120.40 129.10 1hr0 s VAL 82 Ca 0.44 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 63.29 1hr0 s VAL 82 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1hr0 s VAL 82 CO 0.09 0.16 0.21 0.54 0.00 0.00 0.00 175.10 176.10 1hr0 s VAL 83 N -0.20 0.08 -0.25 2.92 0.11 0.33 -0.78 120.40 122.60 1hr0 s VAL 83 Ca 0.55 -1.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.04 1hr0 s VAL 83 Cb -0.37 -1.89 0.03 0.00 -1.53 0.00 0.00 36.38 32.62 1hr0 s VAL 83 CO 0.42 -0.36 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.54 1hr0 s LEU 84 N -2.99 3.27 0.31 2.54 2.96 -1.26 -0.70 118.68 122.81 1hr0 s LEU 84 Ca 0.19 -0.97 -0.22 0.00 -0.22 0.00 0.00 54.13 52.90 1hr0 s LEU 84 Cb 0.05 -1.65 -0.09 0.00 0.50 0.00 0.00 46.19 44.99 1hr0 s LEU 84 CO 0.00 -0.15 0.86 -0.63 -1.32 0.00 0.00 176.35 175.12 1hr0 s ILE 85 N 1.29 4.39 0.00 6.68 1.01 0.18 -0.61 121.20 134.14 1hr0 s ILE 85 Ca -0.01 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.17 1hr0 s ILE 85 Cb -0.17 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1hr0 s ILE 85 CO -0.04 0.05 0.43 -2.11 0.00 0.00 0.00 174.94 173.27 1hr0 n ARG 86 N 0.32 0.22 -1.31 2.79 1.85 -0.18 -2.23 116.66 118.12 1hr0 n ARG 86 Ca 0.02 -0.52 0.00 0.00 -1.00 0.00 0.00 57.85 56.35 1hr0 n ARG 86 Cb 0.51 -0.75 0.00 0.00 -1.05 0.00 0.00 32.46 31.17 1hr0 n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1hr0 n GLY 87 N -0.09 -4.56 0.00 2.89 0.00 -1.26 -4.75 105.19 97.42 1hr0 n GLY 87 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1hr0 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hr0 n GLY 88 N 0.91 1.47 3.55 -0.02 0.00 0.19 -4.43 105.19 106.86 1hr0 n GLY 88 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 1hr0 n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hr0 s ARG 89 N 0.00 -1.72 -0.31 1.61 1.81 -1.17 -2.08 118.95 117.08 1hr0 s ARG 89 Ca 0.00 -0.16 0.01 0.00 -1.72 0.00 0.00 55.73 53.86 1hr0 s ARG 89 Cb 0.00 -1.55 0.15 0.00 -0.45 0.00 0.00 34.95 33.10 1hr0 s ARG 89 CO 0.00 -4.02 0.34 0.08 -0.68 0.00 0.00 175.30 171.01 1hr0 s VAL 90 N -2.94 -0.41 0.39 3.52 1.01 -1.18 -4.86 120.40 115.92 1hr0 s VAL 90 Ca 0.72 -0.62 0.33 0.00 0.00 0.00 0.00 61.98 62.41 1hr0 s VAL 90 Cb -0.08 -0.89 0.49 0.00 0.00 0.00 0.00 36.38 35.90 1hr0 s VAL 90 CO 0.56 -0.48 1.16 1.17 0.00 0.00 0.00 175.10 177.51 1hr0 n LYS 91 N 4.99 -0.01 0.09 2.72 3.00 -1.26 -0.29 118.16 127.40 1hr0 n LYS 91 Ca 0.02 0.85 0.10 0.00 -0.00 0.00 0.00 58.31 59.28 1hr0 n LYS 91 Cb 0.46 -1.85 -0.01 0.00 0.00 0.00 0.00 35.03 33.63 1hr0 n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1hr0 h ASP 92 N 0.00 0.00 -4.12 3.14 3.32 -1.97 -3.43 116.42 113.36 1hr0 h ASP 92 Ca 0.69 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 57.05 1hr0 h ASP 92 Cb 2.59 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 41.77 1hr0 h ASP 92 CO -0.12 0.08 -0.46 -0.76 -1.72 0.00 0.00 179.24 176.26 1hr0 s LEU 93 N -5.43 5.00 0.60 1.55 1.43 0.60 -3.12 118.68 119.31 1hr0 s LEU 93 Ca -0.01 -2.79 -0.18 0.00 -1.03 0.00 0.00 54.13 50.12 1hr0 s LEU 93 Cb 0.09 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 1hr0 s LEU 93 CO 0.79 -0.35 1.19 -2.16 0.23 0.00 0.00 176.35 176.05 1hr0 s PRO 94 N 0.03 2.95 0.00 1.29 0.04 -1.26 -2.22 135.00 135.82 1hr0 s PRO 94 Ca 0.16 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1hr0 s PRO 94 Cb -0.22 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1hr0 s PRO 94 CO -0.03 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1hr0 n GLY 95 N 0.37 0.42 2.70 0.56 0.00 -1.26 -4.99 105.19 102.99 1hr0 n GLY 95 Ca 0.13 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1hr0 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hr0 s VAL 96 N -2.00 0.72 -1.61 1.61 1.01 -0.94 -4.26 120.40 114.93 1hr0 s VAL 96 Ca 0.00 -1.31 0.14 0.00 0.00 0.00 0.00 61.98 60.81 1hr0 s VAL 96 Cb 0.00 -1.55 0.07 0.00 0.00 0.00 0.00 36.38 34.90 1hr0 s VAL 96 CO 0.00 -0.69 0.89 0.54 0.00 0.00 0.00 175.10 175.84 1hr0 n ARG 97 N 4.89 1.28 -4.08 2.72 1.74 -1.25 -3.11 116.66 118.86 1hr0 n ARG 97 Ca -0.02 -1.14 -0.11 0.00 -0.77 0.00 0.00 57.85 55.80 1hr0 n ARG 97 Cb 0.42 -1.25 -0.11 0.00 -1.02 0.00 0.00 32.46 30.50 1hr0 n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1hr0 s TYR 98 N -1.35 0.63 0.34 -1.55 1.51 -0.88 0.57 117.35 116.61 1hr0 s TYR 98 Ca 0.15 -0.68 0.07 0.00 -1.01 0.00 0.00 57.07 55.60 1hr0 s TYR 98 Cb 0.12 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.55 1hr0 s TYR 98 CO 0.23 -0.16 0.34 -1.01 -1.11 0.00 0.00 175.55 173.85 1hr0 s HIS 99 N -2.29 2.96 -0.23 2.71 3.76 -1.23 -0.57 115.29 120.41 1hr0 s HIS 99 Ca -0.03 -0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 54.53 1hr0 s HIS 99 Cb -0.04 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1hr0 s HIS 99 CO -0.02 0.13 0.03 0.42 -0.85 0.00 0.00 174.74 174.45 1hr0 s ILE 100 N -2.27 4.08 0.13 0.60 1.01 -0.00 -1.00 121.20 123.75 1hr0 s ILE 100 Ca 0.42 -0.25 -0.33 0.00 0.00 0.00 0.00 60.65 60.49 1hr0 s ILE 100 Cb -0.07 -2.88 -0.12 0.00 0.01 0.00 0.00 42.46 39.40 1hr0 s ILE 100 CO 0.28 0.38 1.73 0.52 0.00 0.00 0.00 174.94 177.84 1hr0 n VAL 101 N 4.68 0.17 -3.68 2.92 0.31 0.22 -4.57 118.33 118.38 1hr0 n VAL 101 Ca -0.17 -0.03 -0.37 0.00 -0.01 0.00 0.00 64.34 63.77 1hr0 n VAL 101 Cb 0.51 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 31.48 1hr0 n VAL 101 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1hr0 s ARG 102 N 1.86 4.01 0.00 5.55 0.52 -1.26 -4.04 118.95 125.60 1hr0 s ARG 102 Ca 0.80 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1hr0 s ARG 102 Cb -0.58 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.38 1hr0 s ARG 102 CO 0.38 0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.13 1hr0 n GLY 103 N 4.40 0.95 3.27 -3.53 0.00 0.68 -2.25 105.19 108.71 1hr0 n GLY 103 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1hr0 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hr0 s VAL 104 N -2.00 1.93 0.00 1.61 1.01 -1.18 -4.88 120.40 116.89 1hr0 s VAL 104 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1hr0 s VAL 104 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1hr0 s VAL 104 CO 0.00 0.54 0.00 -1.22 0.00 0.00 0.00 175.10 174.42 1hr0 n TYR 105 N 2.62 0.00 1.22 5.22 0.53 -1.26 -2.07 117.16 123.42 1hr0 n TYR 105 Ca -0.16 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.83 1hr0 n TYR 105 Cb 0.52 0.04 0.61 0.00 -1.03 0.00 0.00 39.34 39.48 1hr0 n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1hr0 n ASP 106 N 1.53 0.00 -4.47 7.72 10.43 0.04 -4.57 116.55 127.23 1hr0 n ASP 106 Ca 0.00 -0.34 -0.43 0.00 2.57 0.00 0.00 54.79 56.59 1hr0 n ASP 106 Cb 0.00 -0.16 -0.03 0.00 1.84 0.00 0.00 41.12 42.77 1hr0 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1hr0 s ALA 107 N -2.32 3.14 0.52 2.24 0.00 -0.88 -4.76 121.76 119.71 1hr0 s ALA 107 Ca 0.27 -2.16 -0.22 0.00 0.00 0.00 0.00 51.96 49.85 1hr0 s ALA 107 Cb 0.15 -4.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.21 1hr0 s ALA 107 CO 0.31 -2.95 1.30 0.00 0.00 0.00 0.00 175.76 174.41 1hr0 s ALA 108 N 3.79 2.85 0.89 0.00 0.00 -1.26 -0.23 121.76 127.80 1hr0 s ALA 108 Ca 0.28 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 1hr0 s ALA 108 Cb -0.11 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.62 1hr0 s ALA 108 CO 0.02 -1.16 1.10 0.20 0.00 0.00 0.00 175.76 175.92 1hr0 s GLY 109 N -1.10 1.61 0.03 0.00 0.00 -1.25 -4.27 107.32 102.34 1hr0 s GLY 109 Ca 0.70 -0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.93 1hr0 s GLY 109 CO 0.43 0.32 1.48 0.14 0.00 0.00 0.00 173.10 175.47 1hr0 s VAL 110 N -3.02 3.45 0.40 1.40 1.01 -1.07 -4.96 120.40 117.61 1hr0 s VAL 110 Ca 0.63 0.88 -0.23 0.00 0.00 0.00 0.00 61.98 63.26 1hr0 s VAL 110 Cb -0.17 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1hr0 s VAL 110 CO 0.56 0.00 0.97 -0.54 0.00 0.00 0.00 175.10 176.10 1hr0 s LYS 111 N 2.35 4.28 -1.21 2.72 1.02 -1.26 -3.89 119.74 123.75 1hr0 s LYS 111 Ca 0.67 1.27 -0.06 0.00 0.02 0.00 0.00 55.97 57.88 1hr0 s LYS 111 Cb -0.35 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1hr0 s LYS 111 CO 0.29 -0.00 1.04 -0.25 -0.92 0.00 0.00 175.35 175.50 1hr0 n ASP 112 N -0.23 -4.78 -4.82 2.83 10.43 -1.26 -5.00 116.55 113.72 1hr0 n ASP 112 Ca 0.05 -0.52 -0.36 0.00 2.57 0.00 0.00 54.79 56.54 1hr0 n ASP 112 Cb 0.52 -4.71 -0.07 0.00 1.84 0.00 0.00 41.12 38.70 1hr0 n ASP 112 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1hr0 s ARG 113 N -5.91 3.27 0.00 -1.24 1.81 -1.25 -4.96 118.95 110.67 1hr0 s ARG 113 Ca 0.37 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 54.13 1hr0 s ARG 113 Cb -0.16 -3.04 0.00 0.00 -0.45 0.00 0.00 34.95 31.30 1hr0 s ARG 113 CO 0.67 0.74 0.00 1.63 -0.68 0.00 0.00 175.30 177.66 1hr0 n LYS 114 N 1.90 2.46 0.00 3.54 5.02 -1.26 -4.88 118.16 124.94 1hr0 n LYS 114 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1hr0 n LYS 114 Cb 0.54 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1hr0 n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hr0 n LYS 115 N -0.29 0.00 -0.12 1.97 4.76 -1.26 -4.75 118.16 118.47 1hr0 n LYS 115 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1hr0 n LYS 115 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1hr0 n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1hr0 n SER 116 N 0.00 1.19 -0.47 4.39 7.64 -1.26 -4.54 113.62 120.57 1hr0 n SER 116 Ca 0.00 -1.35 0.39 0.00 1.01 0.00 0.00 58.87 58.92 1hr0 n SER 116 Cb 0.00 -0.26 0.67 0.00 -1.01 0.00 0.00 64.21 63.62 1hr0 n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1hr0 h ARG 117 N 3.52 0.05 -0.92 1.43 3.08 -1.88 0.27 114.38 119.93 1hr0 h ARG 117 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hr0 h ARG 117 Cb 0.23 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1hr0 h ARG 117 CO 0.04 0.04 0.56 1.03 -1.07 0.00 0.00 179.97 180.56 1hr0 h SER 118 N 0.05 1.11 -0.03 7.04 0.87 -1.83 0.15 113.55 120.91 1hr0 h SER 118 Ca 0.84 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.34 1hr0 h SER 118 Cb 2.74 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 64.43 1hr0 h SER 118 CO -0.39 0.85 0.00 0.29 -0.53 0.00 0.00 176.83 177.04 1hr0 n LYS 119 N -4.36 1.15 -0.48 2.24 5.02 0.95 -2.87 118.16 119.81 1hr0 n LYS 119 Ca 0.10 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1hr0 n LYS 119 Cb 0.06 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1hr0 n LYS 119 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1hr0 n TYR 120 N -0.06 0.00 -3.83 2.13 4.02 0.39 -4.87 117.16 114.95 1hr0 n TYR 120 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.60 1hr0 n TYR 120 Cb 0.24 0.04 0.01 0.00 -0.02 0.00 0.00 39.34 39.61 1hr0 n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hr0 n GLY 121 N 0.00 -0.72 2.89 2.72 0.00 -0.46 -2.61 105.19 107.00 1hr0 n GLY 121 Ca 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 1hr0 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hr0 s THR 122 N -3.54 0.94 1.15 2.61 -4.23 -1.10 -3.95 115.64 107.53 1hr0 s THR 122 Ca 0.25 -0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.35 1hr0 s THR 122 Cb -0.14 -0.98 0.16 0.00 1.34 0.00 0.00 72.50 72.88 1hr0 s THR 122 CO 0.70 0.35 0.25 0.29 -0.54 0.00 0.00 174.62 175.67 1hr0 n LYS 123 N 4.97 -2.08 -2.14 3.99 4.76 -1.26 -4.65 118.16 121.73 1hr0 n LYS 123 Ca -0.12 -0.60 -0.43 0.00 -2.87 0.00 0.00 58.31 54.30 1hr0 n LYS 123 Cb 0.50 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 1hr0 n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1hr0 s LYS 124 N -3.69 4.07 -0.32 1.97 2.47 -1.26 -4.92 119.74 118.06 1hr0 s LYS 124 Ca 0.57 1.89 -0.28 0.00 -1.56 0.00 0.00 55.97 56.58 1hr0 s LYS 124 Cb -0.13 -3.95 -0.03 0.00 -1.46 0.00 0.00 37.83 32.26 1hr0 s LYS 124 CO 0.62 -0.96 1.99 -1.25 0.16 0.00 0.00 175.35 175.91 1hr0 s PRO 125 N 4.11 3.14 -0.77 4.03 0.04 -1.26 -4.85 135.00 139.45 1hr0 s PRO 125 Ca 0.68 1.60 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 1hr0 s PRO 125 Cb -0.28 -4.30 -0.16 0.00 0.04 0.00 0.00 34.50 29.81 1hr0 s PRO 125 CO 0.26 -2.09 2.40 0.36 0.04 0.00 0.00 177.00 177.97 1hr0 n LYS 126 N 8.63 0.54 -2.72 4.56 -0.00 -1.26 -4.89 118.16 123.02 1hr0 n LYS 126 Ca 0.26 -0.46 -0.42 0.00 -0.00 0.00 0.00 58.31 57.69 1hr0 n LYS 126 Cb 0.47 -3.06 -0.03 0.00 -0.00 0.00 0.00 35.03 32.41 1hr0 n LYS 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1hr0 s GLU 127 N 8.48 4.43 0.00 -1.58 -1.05 -1.26 -5.33 118.70 122.39 1hr0 s GLU 127 Ca 1.03 1.35 0.17 0.00 -0.15 0.00 0.00 54.97 57.37 1hr0 s GLU 127 Cb -0.33 -3.53 0.13 0.00 -0.44 0.00 0.00 34.13 29.95 1hr0 s GLU 127 CO 0.23 -0.27 1.03 0.00 0.95 0.00 0.00 175.26 177.19