#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw n THR 3 N 0.00 0.52 -0.21 3.45 -2.24 -1.26 -4.05 114.28 110.49 3huw n THR 3 Ca 0.00 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 3huw n THR 3 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 3huw n THR 3 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3huw n ILE 4 N 0.10 -0.34 -0.34 2.28 2.08 -1.26 0.12 119.36 122.00 3huw n ILE 4 Ca 0.06 1.26 -0.02 0.00 0.56 0.00 0.00 62.75 64.62 3huw n ILE 4 Cb 0.07 -1.57 0.04 0.00 -0.75 0.00 0.00 39.64 37.43 3huw n ILE 4 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 3huw h ASN 5 N 0.00 -1.33 -0.58 4.38 -1.24 -2.01 0.72 115.58 115.52 3huw h ASN 5 Ca 0.08 0.29 0.12 0.00 0.71 0.00 0.00 56.30 57.49 3huw h ASN 5 Cb 0.21 0.70 -0.11 0.00 0.73 0.00 0.00 38.32 39.85 3huw h ASN 5 CO -0.47 -0.29 -0.15 1.56 -1.29 0.00 0.00 177.43 176.78 3huw h GLN 6 N -0.04 -0.01 -0.13 6.67 4.20 0.72 0.63 115.11 127.15 3huw h GLN 6 Ca 0.33 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.07 3huw h GLN 6 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3huw h GLN 6 CO -0.91 -0.01 0.12 -0.07 -0.67 0.00 0.00 178.83 177.29 3huw h LEU 7 N -0.01 0.00 0.20 1.46 3.38 -0.72 0.54 115.31 120.15 3huw h LEU 7 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3huw h LEU 7 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3huw h LEU 7 CO -0.60 0.00 -0.09 0.58 0.09 0.00 0.00 178.44 178.42 3huw h VAL 8 N 0.00 0.90 0.14 1.22 2.07 0.74 0.18 116.25 121.50 3huw h VAL 8 Ca 0.06 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3huw h VAL 8 Cb 0.30 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3huw h VAL 8 CO -0.00 0.16 -0.07 0.03 0.02 0.00 0.00 177.57 177.71 3huw h ARG 9 N -0.64 -0.18 -0.03 1.57 3.08 -0.31 -3.38 114.38 114.49 3huw h ARG 9 Ca -0.03 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3huw h ARG 9 Cb 0.46 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3huw h ARG 9 CO 0.04 -0.12 -0.28 0.87 -1.07 0.00 0.00 179.97 179.42 3huw h LYS 10 N -0.29 0.25 -1.87 0.04 6.56 -0.14 -3.50 116.57 117.62 3huw h LYS 10 Ca -0.02 -0.22 0.20 0.00 -1.06 0.00 0.00 60.65 59.55 3huw h LYS 10 Cb 0.14 0.05 -0.08 0.00 -0.57 0.00 0.00 32.23 31.77 3huw h LYS 10 CO 0.03 0.90 -0.53 0.41 -2.06 0.00 0.00 179.45 178.20 3huw n GLY 11 N 0.83 -2.42 3.71 3.86 0.00 0.62 -4.80 105.19 106.99 3huw n GLY 11 Ca -0.09 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 3huw n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huw s ARG 12 N -2.82 4.49 -0.15 1.61 1.81 -1.26 -4.90 118.95 117.73 3huw s ARG 12 Ca 0.00 1.24 -0.27 0.00 -1.72 0.00 0.00 55.73 54.99 3huw s ARG 12 Cb 0.00 -3.48 -0.01 0.00 -0.45 0.00 0.00 34.95 31.01 3huw s ARG 12 CO 0.00 -0.08 0.89 -2.00 -0.68 0.00 0.00 175.30 173.43 3huw s GLU 13 N 1.19 4.34 0.26 3.54 2.12 -1.26 -5.05 118.70 123.84 3huw s GLU 13 Ca 0.47 1.14 -0.04 0.00 0.36 0.00 0.00 54.97 56.89 3huw s GLU 13 Cb -0.19 -3.56 0.07 0.00 0.26 0.00 0.00 34.13 30.70 3huw s GLU 13 CO 0.23 -0.33 0.15 1.17 -0.54 0.00 0.00 175.26 175.94 3huw n LYS 14 N 5.19 -2.49 -0.05 4.30 0.00 -1.26 -5.04 118.16 118.82 3huw n LYS 14 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 58.31 58.03 3huw n LYS 14 Cb 0.49 -0.34 -0.03 0.00 0.00 0.00 0.00 35.03 35.15 3huw n LYS 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3huw n VAL 15 N -3.49 1.30 -2.41 3.15 0.24 -1.26 -5.11 118.33 110.76 3huw n VAL 15 Ca 0.02 0.14 -0.03 0.00 -2.04 0.00 0.00 64.34 62.44 3huw n VAL 15 Cb 0.11 -1.99 -0.03 0.00 -1.47 0.00 0.00 33.84 30.46 3huw n VAL 15 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3huw n ARG 16 N -4.02 -3.41 -3.29 7.34 0.63 -1.26 -4.97 116.66 107.68 3huw n ARG 16 Ca -0.14 2.71 -0.37 0.00 -0.92 0.00 0.00 57.85 59.13 3huw n ARG 16 Cb 0.41 -4.36 -0.06 0.00 0.45 0.00 0.00 32.46 28.90 3huw n ARG 16 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3huw s LYS 17 N -0.93 4.10 -0.03 -0.14 -2.85 -1.26 -5.05 119.74 113.57 3huw s LYS 17 Ca -0.16 0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 55.15 3huw s LYS 17 Cb 0.01 -3.04 -0.03 0.00 -2.06 0.00 0.00 37.83 32.71 3huw s LYS 17 CO 0.64 0.53 1.10 0.15 0.10 0.00 0.00 175.35 177.87 3huw s LYS 18 N -1.64 4.44 0.59 1.78 3.01 -1.26 -5.03 119.74 121.62 3huw s LYS 18 Ca 0.35 1.57 -0.18 0.00 -1.01 0.00 0.00 55.97 56.70 3huw s LYS 18 Cb -0.17 -3.48 -0.04 0.00 -1.01 0.00 0.00 37.83 33.13 3huw s LYS 18 CO 0.19 -0.28 1.15 0.45 0.51 0.00 0.00 175.35 177.38 3huw s SER 19 N 1.18 5.39 0.00 2.83 0.15 -1.26 -4.93 113.70 117.06 3huw s SER 19 Ca 0.54 2.22 0.13 0.00 0.70 0.00 0.00 55.95 59.54 3huw s SER 19 Cb -0.23 -2.58 0.30 0.00 -1.71 0.00 0.00 66.02 61.80 3huw s SER 19 CO 0.24 -1.45 1.21 0.29 1.20 0.00 0.00 173.24 174.74 3huw n LYS 20 N -1.63 2.40 -3.51 5.44 5.02 -1.26 -4.86 118.16 119.76 3huw n LYS 20 Ca 0.12 -1.95 -0.28 0.00 -2.02 0.00 0.00 58.31 54.18 3huw n LYS 20 Cb 0.51 -1.30 -0.11 0.00 -0.02 0.00 0.00 35.03 34.10 3huw n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3huw s VAL 21 N -1.02 0.61 -0.20 -0.18 1.01 -1.26 -4.94 120.40 114.41 3huw s VAL 21 Ca 0.24 -2.36 -0.04 0.00 0.00 0.00 0.00 61.98 59.82 3huw s VAL 21 Cb 0.13 -1.43 -0.16 0.00 0.00 0.00 0.00 36.38 34.92 3huw s VAL 21 CO 0.18 -1.06 2.52 -2.65 0.00 0.00 0.00 175.10 174.08 3huw n PRO 22 N 3.40 1.53 -0.16 2.72 -0.02 -1.26 -3.52 135.00 137.69 3huw n PRO 22 Ca 0.18 -0.84 0.08 0.00 -2.02 0.00 0.00 63.50 60.91 3huw n PRO 22 Cb 0.40 -1.96 0.25 0.00 -0.02 0.00 0.00 33.50 32.17 3huw n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3huw n ALA 23 N 2.93 2.46 -1.03 3.55 0.00 -1.26 -4.96 120.51 122.20 3huw n ALA 23 Ca 0.33 -0.67 0.11 0.00 0.00 0.00 0.00 53.44 53.21 3huw n ALA 23 Cb 0.52 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 3huw n ALA 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3huw n LEU 24 N 0.62 -0.51 -0.70 0.00 7.99 -1.23 -4.57 117.00 118.60 3huw n LEU 24 Ca 0.15 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.30 3huw n LEU 24 Cb 0.36 -3.30 0.00 0.00 -0.11 0.00 0.00 43.42 40.36 3huw n LEU 24 CO 0.11 -1.96 0.00 0.29 -1.51 0.00 0.00 177.39 174.32 3huw n LYS 25 N -3.25 -0.97 0.00 3.23 5.02 -1.26 -1.68 118.16 119.25 3huw n LYS 25 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3huw n LYS 25 Cb 0.61 -3.13 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 3huw n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3huw n GLY 26 N 0.00 1.53 0.57 0.72 0.00 -1.26 -4.86 105.19 101.88 3huw n GLY 26 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3huw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw n ALA 27 N 0.26 -0.65 -0.16 4.61 0.00 -0.68 -4.77 120.51 119.13 3huw n ALA 27 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 3huw n ALA 27 Cb 0.00 -0.29 0.19 0.00 0.00 0.00 0.00 19.45 19.36 3huw n ALA 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3huw h PRO 28 N 0.61 0.90 -3.81 0.00 0.11 -1.89 -3.45 132.00 124.48 3huw h PRO 28 Ca -0.08 -0.15 -0.18 0.00 0.11 0.00 0.00 66.00 65.71 3huw h PRO 28 Cb 0.22 -0.15 -0.22 0.00 0.11 0.00 0.00 31.00 30.95 3huw h PRO 28 CO 0.13 0.74 -0.65 -0.06 -0.21 0.00 0.00 178.00 177.95 3huw s PHE 29 N -5.39 0.15 -0.12 0.65 0.08 -1.26 -4.63 117.98 107.47 3huw s PHE 29 Ca -0.10 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.65 3huw s PHE 29 Cb 0.16 -0.12 0.02 0.00 -0.57 0.00 0.00 43.02 42.51 3huw s PHE 29 CO 0.80 -0.17 -0.14 0.50 -0.10 0.00 0.00 175.22 176.11 3huw s ARG 30 N -1.13 2.15 -0.21 0.44 6.06 -0.71 -4.88 118.95 120.67 3huw s ARG 30 Ca -0.12 -0.52 -0.29 0.00 -2.50 0.00 0.00 55.73 52.30 3huw s ARG 30 Cb -0.07 -1.92 -0.02 0.00 0.06 0.00 0.00 34.95 33.00 3huw s ARG 30 CO -0.00 -0.15 1.45 0.50 -2.50 0.00 0.00 175.30 174.60 3huw s ARG 31 N 1.24 3.98 0.11 5.12 3.52 -1.26 -0.68 118.95 130.96 3huw s ARG 31 Ca -0.01 1.61 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 3huw s ARG 31 Cb -0.14 -3.92 -0.00 0.00 -1.56 0.00 0.00 34.95 29.33 3huw s ARG 31 CO -0.05 -1.05 0.01 0.41 -0.81 0.00 0.00 175.30 173.80 3huw n GLY 32 N 4.26 4.01 3.03 8.12 0.00 0.13 -2.51 105.19 122.21 3huw n GLY 32 Ca 0.16 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 3huw n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huw s VAL 33 N -1.58 0.14 -0.01 1.61 1.01 -0.62 -1.18 120.40 119.77 3huw s VAL 33 Ca 0.02 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 3huw s VAL 33 Cb 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 3huw s VAL 33 CO 0.01 -0.62 0.35 0.00 0.00 0.00 0.00 175.10 174.84 3huw n THR 35 N 1.70 0.00 -3.76 0.00 -2.24 -0.90 -0.48 114.28 108.59 3huw n THR 35 Ca -0.14 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 3huw n THR 35 Cb 0.53 0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 69.31 3huw n THR 35 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3huw s VAL 36 N -1.22 0.06 -0.28 2.28 1.01 -1.25 -4.84 120.40 116.16 3huw s VAL 36 Ca 0.00 -0.53 0.21 0.00 0.00 0.00 0.00 61.98 61.66 3huw s VAL 36 Cb 0.00 -0.68 0.49 0.00 0.00 0.00 0.00 36.38 36.19 3huw s VAL 36 CO 0.00 -0.29 1.09 0.52 0.00 0.00 0.00 175.10 176.42 3huw n VAL 37 N 1.12 1.10 -0.66 2.92 0.31 -1.26 -1.07 118.33 120.79 3huw n VAL 37 Ca -0.21 -2.83 -0.26 0.00 -0.01 0.00 0.00 64.34 61.03 3huw n VAL 37 Cb 0.57 1.11 0.14 0.00 -0.91 0.00 0.00 33.84 34.74 3huw n VAL 37 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3huw n ARG 38 N -0.50 -1.63 -3.07 5.55 0.63 -1.21 -4.79 116.66 111.64 3huw n ARG 38 Ca 0.06 -0.47 -0.22 0.00 -0.92 0.00 0.00 57.85 56.29 3huw n ARG 38 Cb 0.81 -1.48 -0.04 0.00 0.45 0.00 0.00 32.46 32.21 3huw n ARG 38 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 3huw n THR 39 N -4.25 1.42 -0.66 5.15 5.66 -1.26 -3.33 114.28 117.01 3huw n THR 39 Ca 0.02 -5.07 -0.31 0.00 -3.05 0.00 0.00 64.05 55.64 3huw n THR 39 Cb 0.51 -0.84 0.18 0.00 -1.55 0.00 0.00 70.33 68.62 3huw n THR 39 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3huw n VAL 40 N 0.04 0.00 -5.27 1.08 0.24 -1.19 -4.52 118.33 108.71 3huw n VAL 40 Ca 0.28 -0.27 -0.31 0.00 -2.04 0.00 0.00 64.34 62.00 3huw n VAL 40 Cb 0.53 -0.75 -0.16 0.00 -1.47 0.00 0.00 33.84 31.99 3huw n VAL 40 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3huw s THR 41 N -2.37 2.13 0.50 3.34 -4.23 -1.26 -1.12 115.64 112.62 3huw s THR 41 Ca 0.60 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 3huw s THR 41 Cb -0.19 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.91 3huw s THR 41 CO 0.65 0.58 0.00 -0.81 -0.54 0.00 0.00 174.62 174.50 3huw n PRO 42 N 2.47 1.98 0.00 3.99 -0.04 -1.26 -4.98 135.00 137.17 3huw n PRO 42 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3huw n PRO 42 Cb 0.51 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 3huw n PRO 42 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3huw n LYS 43 N 2.97 0.00 0.00 0.54 4.81 -0.73 -4.97 118.16 120.78 3huw n LYS 43 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3huw n LYS 43 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3huw n LYS 43 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3huw n LYS 44 N 0.00 0.00 -1.34 1.64 4.81 -1.26 -4.15 118.16 117.86 3huw n LYS 44 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 3huw n LYS 44 Cb 0.00 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.16 3huw n LYS 44 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3huw n PRO 45 N 0.00 2.60 -4.35 1.64 -0.04 -1.26 -4.96 135.00 128.63 3huw n PRO 45 Ca 0.00 -3.37 -0.27 0.00 -0.04 0.00 0.00 63.50 59.82 3huw n PRO 45 Cb 0.00 -2.18 -0.13 0.00 -0.04 0.00 0.00 33.50 31.16 3huw n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3huw s ASN 46 N -2.17 3.02 -0.06 3.54 0.02 -1.26 -5.14 114.94 112.88 3huw s ASN 46 Ca 0.57 -0.74 0.02 0.00 -1.02 0.00 0.00 52.86 51.69 3huw s ASN 46 Cb 0.47 -0.19 0.01 0.00 0.02 0.00 0.00 41.25 41.56 3huw s ASN 46 CO 0.03 0.12 -0.10 -0.44 0.02 0.00 0.00 177.10 176.73 3huw s SER 47 N -2.06 1.57 0.00 -1.22 0.01 -1.26 -4.12 113.70 106.62 3huw s SER 47 Ca 0.12 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.12 3huw s SER 47 Cb -0.10 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.40 3huw s SER 47 CO 0.06 0.02 0.00 0.00 0.41 0.00 0.00 173.24 173.72 3huw n ALA 48 N 3.84 0.00 -3.51 1.44 0.00 -1.26 -4.96 120.51 116.06 3huw n ALA 48 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 3huw n ALA 48 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 3huw n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3huw n LEU 49 N 0.00 1.37 -4.65 0.00 7.99 -1.26 -4.14 117.00 116.31 3huw n LEU 49 Ca 0.00 -4.86 -0.43 0.00 -0.01 0.00 0.00 56.01 50.72 3huw n LEU 49 Cb 0.00 -0.02 -0.03 0.00 -0.11 0.00 0.00 43.42 43.26 3huw n LEU 49 CO 0.00 1.90 1.32 -0.13 -1.51 0.00 0.00 177.39 178.97 3huw s ARG 50 N -1.03 4.08 -0.99 3.23 3.00 -0.28 -4.84 118.95 122.12 3huw s ARG 50 Ca 0.32 1.95 -0.24 0.00 0.00 0.00 0.00 55.73 57.76 3huw s ARG 50 Cb 0.06 -3.96 -0.08 0.00 0.00 0.00 0.00 34.95 30.96 3huw s ARG 50 CO -0.14 -0.95 2.00 0.15 0.00 0.00 0.00 175.30 176.36 3huw s LYS 51 N 4.13 2.35 0.23 3.54 3.01 -1.26 -3.17 119.74 128.57 3huw s LYS 51 Ca 0.70 -0.48 0.05 0.00 -1.01 0.00 0.00 55.97 55.22 3huw s LYS 51 Cb -0.29 -5.08 -0.03 0.00 -1.01 0.00 0.00 37.83 31.42 3huw s LYS 51 CO 0.27 -3.80 0.35 0.08 0.51 0.00 0.00 175.35 172.76 3huw s VAL 52 N 11.27 5.27 -0.01 3.17 1.01 -1.21 -0.69 120.40 139.20 3huw s VAL 52 Ca 0.73 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3huw s VAL 52 Cb -0.05 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3huw s VAL 52 CO 0.05 -0.30 0.10 0.00 0.00 0.00 0.00 175.10 174.96 3huw s ALA 53 N -1.95 -0.23 -0.10 5.51 0.00 -0.88 -3.30 121.76 120.81 3huw s ALA 53 Ca 0.34 -0.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 3huw s ALA 53 Cb -0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 3huw s ALA 53 CO 0.29 -0.14 0.34 0.21 0.00 0.00 0.00 175.76 176.46 3huw s LYS 54 N -0.83 4.08 -0.08 0.00 2.20 -0.23 -0.11 119.74 124.77 3huw s LYS 54 Ca -0.09 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 3huw s LYS 54 Cb -0.05 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 3huw s LYS 54 CO 0.01 0.42 -0.15 0.08 -0.36 0.00 0.00 175.35 175.34 3huw s VAL 55 N -0.14 1.39 -0.37 4.02 1.01 0.43 -2.12 120.40 124.63 3huw s VAL 55 Ca 0.20 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 3huw s VAL 55 Cb -0.14 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3huw s VAL 55 CO 0.08 0.41 0.58 -0.60 0.00 0.00 0.00 175.10 175.57 3huw s ARG 56 N 0.62 3.57 0.54 2.72 6.06 -0.10 0.04 118.95 132.40 3huw s ARG 56 Ca -0.15 -0.13 -0.02 0.00 -2.50 0.00 0.00 55.73 52.93 3huw s ARG 56 Cb -0.16 -3.84 0.02 0.00 0.06 0.00 0.00 34.95 31.03 3huw s ARG 56 CO 0.04 -0.74 0.80 -0.51 -2.50 0.00 0.00 175.30 172.39 3huw s LEU 57 N 2.56 3.34 -0.70 -0.88 2.01 0.19 -1.59 118.68 123.61 3huw s LEU 57 Ca 0.21 0.31 -0.18 0.00 0.01 0.00 0.00 54.13 54.48 3huw s LEU 57 Cb -0.15 -3.15 0.14 0.00 0.01 0.00 0.00 46.19 43.04 3huw s LEU 57 CO 0.15 -1.03 0.78 0.42 1.01 0.00 0.00 176.35 177.68 3huw s THR 58 N -2.80 5.00 0.00 5.49 -4.23 -1.04 -3.13 115.64 114.92 3huw s THR 58 Ca 0.54 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3huw s THR 58 Cb -0.10 -4.53 0.00 0.00 1.34 0.00 0.00 72.50 69.21 3huw s THR 58 CO 0.40 -1.16 0.00 -1.54 -0.54 0.00 0.00 174.62 171.78 3huw n SER 59 N 5.79 0.00 0.00 3.99 3.41 -1.26 -4.78 113.62 120.77 3huw n SER 59 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3huw n SER 59 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3huw n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3huw n GLY 60 N 0.00 3.12 3.62 5.00 0.00 -1.18 -5.04 105.19 110.71 3huw n GLY 60 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 3huw n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3huw s TYR 61 N 0.00 1.51 -0.29 1.61 1.51 -1.26 -4.67 117.35 115.76 3huw s TYR 61 Ca 0.00 1.64 -0.02 0.00 -1.01 0.00 0.00 57.07 57.68 3huw s TYR 61 Cb 0.00 -3.28 0.09 0.00 -0.11 0.00 0.00 41.96 38.67 3huw s TYR 61 CO 0.00 -3.14 0.10 -2.00 -1.11 0.00 0.00 175.55 169.40 3huw s GLU 62 N -4.59 0.57 0.46 -0.62 2.12 -1.25 0.53 118.70 115.92 3huw s GLU 62 Ca 0.67 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 55.25 3huw s GLU 62 Cb -0.24 -1.79 0.01 0.00 0.26 0.00 0.00 34.13 32.38 3huw s GLU 62 CO 0.60 -0.94 0.48 0.14 -0.54 0.00 0.00 175.26 175.00 3huw s VAL 63 N 1.78 2.52 -0.53 3.70 -7.23 0.11 -4.83 120.40 115.92 3huw s VAL 63 Ca 0.08 -1.24 -0.05 0.00 -1.81 0.00 0.00 61.98 58.96 3huw s VAL 63 Cb -0.17 -2.76 0.14 0.00 0.56 0.00 0.00 36.38 34.15 3huw s VAL 63 CO -0.26 0.00 0.36 0.42 -0.31 0.00 0.00 175.10 175.31 3huw s THR 64 N -2.52 3.82 0.92 5.32 -4.23 -1.26 0.16 115.64 117.85 3huw s THR 64 Ca 0.50 -2.35 -0.13 0.00 -1.18 0.00 0.00 61.69 58.53 3huw s THR 64 Cb -0.05 -3.52 0.21 0.00 1.34 0.00 0.00 72.50 70.47 3huw s THR 64 CO 0.30 -0.80 1.25 0.00 -0.54 0.00 0.00 174.62 174.82 3huw n ALA 65 N 4.22 -1.13 -3.51 3.99 0.00 0.85 -3.83 120.51 121.09 3huw n ALA 65 Ca 0.01 -1.78 -0.27 0.00 0.00 0.00 0.00 53.44 51.41 3huw n ALA 65 Cb 0.40 0.01 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 3huw n ALA 65 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3huw s TYR 66 N -3.71 1.75 -0.57 0.00 6.04 -0.41 -2.06 117.35 118.40 3huw s TYR 66 Ca 0.73 -0.73 -0.20 0.00 0.04 0.00 0.00 57.07 56.91 3huw s TYR 66 Cb -0.02 -1.27 0.08 0.00 -1.04 0.00 0.00 41.96 39.71 3huw s TYR 66 CO 0.51 -0.37 0.75 0.42 -1.54 0.00 0.00 175.55 175.31 3huw s ILE 67 N 0.78 4.71 0.73 3.14 1.01 0.13 -2.15 121.20 129.55 3huw s ILE 67 Ca -0.12 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 3huw s ILE 67 Cb -0.16 -4.46 0.03 0.00 0.01 0.00 0.00 42.46 37.88 3huw s ILE 67 CO 0.02 -1.07 1.07 -2.16 0.00 0.00 0.00 174.94 172.80 3huw s PRO 68 N 3.04 2.62 0.00 2.79 0.04 -1.26 -4.61 135.00 137.61 3huw s PRO 68 Ca 0.17 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3huw s PRO 68 Cb -0.20 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3huw s PRO 68 CO 0.10 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.26 3huw n GLY 69 N -2.04 1.13 3.54 0.56 0.00 -1.26 -4.92 105.19 102.20 3huw n GLY 69 Ca 0.07 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3huw n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3huw s GLU 70 N -1.82 3.41 0.51 1.61 2.56 -1.26 -4.90 118.70 118.81 3huw s GLU 70 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.97 54.87 3huw s GLU 70 Cb 0.00 -3.96 0.00 0.00 2.00 0.00 0.00 34.13 32.17 3huw s GLU 70 CO 0.00 -1.21 0.00 0.41 -0.56 0.00 0.00 175.26 173.90 3huw n GLY 71 N 5.01 -2.89 3.72 -1.50 0.00 -1.26 -4.82 105.19 103.45 3huw n GLY 71 Ca 0.03 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.96 3huw n GLY 71 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3huw s HIS 72 N -3.58 -0.02 0.00 1.61 -3.43 -1.26 -4.97 115.29 103.64 3huw s HIS 72 Ca 0.00 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 3huw s HIS 72 Cb 0.00 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 3huw s HIS 72 CO 0.00 -0.34 0.00 0.27 -2.00 0.00 0.00 174.74 172.67 3huw n ASN 73 N -0.66 0.00 -1.86 7.38 6.94 -1.26 -5.09 115.26 120.71 3huw n ASN 73 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 3huw n ASN 73 Cb 0.62 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 3huw n ASN 73 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3huw n LEU 74 N 0.00 -5.92 -4.04 -4.53 4.77 -1.26 -5.08 117.00 100.95 3huw n LEU 74 Ca 0.00 3.03 -0.08 0.00 -0.03 0.00 0.00 56.01 58.93 3huw n LEU 74 Cb 0.00 -2.93 -0.10 0.00 -2.33 0.00 0.00 43.42 38.06 3huw n LEU 74 CO 0.00 -1.21 -0.33 -1.10 -1.33 0.00 0.00 177.39 173.42 3huw s GLN 75 N -1.41 0.57 -0.83 3.23 -0.21 -1.26 -5.00 119.66 114.74 3huw s GLN 75 Ca 0.00 -1.04 -0.31 0.00 0.02 0.00 0.00 55.36 54.03 3huw s GLN 75 Cb 0.00 0.20 -0.18 0.00 1.00 0.00 0.00 33.01 34.03 3huw s GLN 75 CO 0.00 -0.11 2.59 -1.91 -2.12 0.00 0.00 175.29 173.73 3huw n GLU 76 N 0.45 0.27 0.00 2.91 2.13 -1.26 0.80 120.64 125.94 3huw n GLU 76 Ca -0.16 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.67 3huw n GLU 76 Cb 0.60 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.35 3huw n GLU 76 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3huw n HIS 77 N 11.44 0.00 -1.83 4.31 8.25 0.36 -4.96 115.22 132.80 3huw n HIS 77 Ca 0.58 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.68 3huw n HIS 77 Cb 0.14 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.31 3huw n HIS 77 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3huw s SER 78 N -1.14 4.79 -0.32 0.41 0.01 0.24 -4.68 113.70 113.01 3huw s SER 78 Ca 0.00 2.56 -0.13 0.00 1.31 0.00 0.00 55.95 59.69 3huw s SER 78 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 3huw s SER 78 CO 0.00 -1.87 0.28 -0.69 0.41 0.00 0.00 173.24 171.36 3huw s VAL 79 N -1.45 5.25 0.33 3.43 1.01 -1.26 -1.56 120.40 126.14 3huw s VAL 79 Ca 0.81 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.93 3huw s VAL 79 Cb -0.35 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3huw s VAL 79 CO 0.38 0.05 -0.07 -0.69 0.00 0.00 0.00 175.10 174.77 3huw s VAL 80 N 1.86 2.51 -0.07 2.92 1.01 -0.32 -0.15 120.40 128.15 3huw s VAL 80 Ca 0.09 -2.14 0.03 0.00 0.00 0.00 0.00 61.98 59.96 3huw s VAL 80 Cb -0.17 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3huw s VAL 80 CO 0.11 -0.25 -0.16 -0.22 0.00 0.00 0.00 175.10 174.58 3huw s LEU 81 N -3.64 2.58 -0.05 3.92 1.98 -1.26 0.17 118.68 122.39 3huw s LEU 81 Ca 0.33 -0.31 -0.02 0.00 -2.89 0.00 0.00 54.13 51.24 3huw s LEU 81 Cb -0.00 -1.53 -0.04 0.00 0.66 0.00 0.00 46.19 45.28 3huw s LEU 81 CO 0.17 0.27 0.08 -0.63 -1.89 0.00 0.00 176.35 174.35 3huw s ILE 82 N -0.29 4.79 -0.09 6.68 -1.09 0.14 -1.65 121.20 129.69 3huw s ILE 82 Ca 0.02 -0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.16 3huw s ILE 82 Cb -0.13 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 3huw s ILE 82 CO 0.03 0.46 -0.11 -1.14 -1.23 0.00 0.00 174.94 172.95 3huw n ARG 83 N 1.56 0.21 0.00 2.79 0.63 0.15 -1.74 116.66 120.26 3huw n ARG 83 Ca -0.16 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 3huw n ARG 83 Cb 0.53 -0.98 0.00 0.00 0.45 0.00 0.00 32.46 32.46 3huw n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3huw n GLY 84 N 2.66 2.37 0.00 5.14 0.00 -1.25 -4.76 105.19 109.36 3huw n GLY 84 Ca -0.18 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.88 3huw n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huw n GLY 85 N 0.92 2.90 3.89 -0.02 0.00 -1.15 -4.11 105.19 107.62 3huw n GLY 85 Ca 0.00 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 3huw n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3huw n ARG 86 N 1.43 0.42 -4.03 1.61 -4.01 -1.26 -2.79 116.66 108.03 3huw n ARG 86 Ca 0.00 -3.01 -0.31 0.00 -1.04 0.00 0.00 57.85 53.48 3huw n ARG 86 Cb 0.00 -0.35 -0.16 0.00 -3.04 0.00 0.00 32.46 28.91 3huw n ARG 86 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3huw s VAL 87 N -2.72 1.86 -1.98 8.89 1.01 -1.23 -4.96 120.40 121.28 3huw s VAL 87 Ca 0.62 -1.20 0.11 0.00 0.00 0.00 0.00 61.98 61.51 3huw s VAL 87 Cb -0.05 -1.92 0.31 0.00 0.00 0.00 0.00 36.38 34.73 3huw s VAL 87 CO 0.40 0.15 1.10 1.17 0.00 0.00 0.00 175.10 177.92 3huw n LYS 88 N 4.60 0.34 -0.03 2.72 3.00 -1.26 -1.32 118.16 126.20 3huw n LYS 88 Ca -0.15 0.01 -0.17 0.00 -0.00 0.00 0.00 58.31 58.00 3huw n LYS 88 Cb 0.46 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.85 3huw n LYS 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3huw n ASP 89 N -1.01 1.62 -4.08 3.14 2.03 -1.26 -4.81 116.55 112.18 3huw n ASP 89 Ca 0.08 0.18 -0.27 0.00 0.52 0.00 0.00 54.79 55.31 3huw n ASP 89 Cb 0.04 -0.44 -0.17 0.00 -0.72 0.00 0.00 41.12 39.83 3huw n ASP 89 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3huw s LEU 90 N -6.60 1.78 0.70 -2.67 1.43 -0.43 -1.78 118.68 111.11 3huw s LEU 90 Ca -0.19 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 3huw s LEU 90 Cb 0.07 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.30 3huw s LEU 90 CO 0.76 0.07 1.06 -2.84 0.23 0.00 0.00 176.35 175.63 3huw s PRO 91 N 0.57 2.89 0.00 1.29 0.02 -1.26 -3.60 135.00 134.91 3huw s PRO 91 Ca -0.16 0.83 0.00 0.00 0.02 0.00 0.00 61.00 61.69 3huw s PRO 91 Cb -0.16 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3huw s PRO 91 CO 0.05 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 3huw n GLY 92 N -2.20 1.20 3.64 0.52 0.00 -1.26 -4.88 105.19 102.21 3huw n GLY 92 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3huw n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huw s VAL 93 N 0.00 3.99 -0.00 1.61 1.01 -1.24 -4.58 120.40 121.19 3huw s VAL 93 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.14 3huw s VAL 93 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3huw s VAL 93 CO 0.00 -0.26 0.92 0.54 0.00 0.00 0.00 175.10 176.30 3huw n ARG 94 N 7.15 0.03 -3.95 2.72 1.74 -1.25 -3.49 116.66 119.61 3huw n ARG 94 Ca 0.16 -0.94 -0.09 0.00 -0.77 0.00 0.00 57.85 56.21 3huw n ARG 94 Cb 0.45 -0.52 -0.08 0.00 -1.02 0.00 0.00 32.46 31.29 3huw n ARG 94 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3huw s TYR 95 N -0.05 0.35 0.13 -1.55 1.51 -1.12 -2.95 117.35 113.68 3huw s TYR 95 Ca 0.00 -0.78 0.08 0.00 -1.01 0.00 0.00 57.07 55.36 3huw s TYR 95 Cb 0.00 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 3huw s TYR 95 CO 0.00 -0.56 -0.18 -1.01 -1.11 0.00 0.00 175.55 172.69 3huw s HIS 96 N -3.92 1.69 0.18 2.71 3.76 -1.26 -1.29 115.29 117.17 3huw s HIS 96 Ca 0.10 -0.47 -0.06 0.00 -0.15 0.00 0.00 55.06 54.48 3huw s HIS 96 Cb 0.05 -0.88 -0.06 0.00 1.11 0.00 0.00 32.58 32.80 3huw s HIS 96 CO -0.07 0.24 0.45 0.42 -0.85 0.00 0.00 174.74 174.93 3huw s ILE 97 N -1.75 5.07 -0.85 0.60 1.01 -0.92 0.31 121.20 124.68 3huw s ILE 97 Ca 0.10 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 3huw s ILE 97 Cb -0.07 -3.63 0.22 0.00 0.01 0.00 0.00 42.46 38.99 3huw s ILE 97 CO 0.05 -0.03 0.76 -0.69 0.00 0.00 0.00 174.94 175.03 3huw s VAL 98 N -1.75 5.02 0.36 2.92 1.01 -0.66 -4.72 120.40 122.59 3huw s VAL 98 Ca 0.44 -3.02 -0.21 0.00 0.00 0.00 0.00 61.98 59.19 3huw s VAL 98 Cb -0.12 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 3huw s VAL 98 CO 0.24 -1.03 0.12 0.54 0.00 0.00 0.00 175.10 174.97 3huw n ARG 99 N 3.32 0.00 -0.65 2.72 5.12 -1.26 -2.25 116.66 123.66 3huw n ARG 99 Ca 0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 3huw n ARG 99 Cb 0.42 -0.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 3huw n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3huw n GLY 100 N 2.17 0.69 2.84 -0.13 0.00 -0.53 -3.64 105.19 106.60 3huw n GLY 100 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 3huw n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huw s VAL 101 N -2.16 0.56 0.00 1.61 1.01 -0.86 -4.90 120.40 115.65 3huw s VAL 101 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3huw s VAL 101 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.74 3huw s VAL 101 CO 0.00 0.27 0.00 -1.22 0.00 0.00 0.00 175.10 174.15 3huw n TYR 102 N 4.67 0.00 0.58 5.22 0.53 -1.26 -2.27 117.16 124.63 3huw n TYR 102 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.73 3huw n TYR 102 Cb 0.50 0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.85 3huw n TYR 102 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3huw n ASP 103 N 1.94 0.18 -4.37 7.72 9.92 0.79 -4.52 116.55 128.22 3huw n ASP 103 Ca 0.00 -0.76 -0.39 0.00 -0.53 0.00 0.00 54.79 53.10 3huw n ASP 103 Cb 0.00 -0.09 -0.12 0.00 -0.64 0.00 0.00 41.12 40.27 3huw n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3huw s ALA 104 N -1.53 3.21 0.15 2.24 0.00 -0.96 -4.29 121.76 120.59 3huw s ALA 104 Ca 0.00 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.17 3huw s ALA 104 Cb 0.00 -2.44 -0.07 0.00 0.00 0.00 0.00 23.12 20.61 3huw s ALA 104 CO 0.00 -1.22 0.60 0.00 0.00 0.00 0.00 175.76 175.14 3huw s ALA 105 N 1.53 3.54 0.90 0.00 0.00 -1.26 -1.45 121.76 125.02 3huw s ALA 105 Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 3huw s ALA 105 Cb -0.19 -2.62 0.13 0.00 0.00 0.00 0.00 23.12 20.45 3huw s ALA 105 CO 0.05 0.41 1.11 0.20 0.00 0.00 0.00 175.76 177.53 3huw s GLY 106 N -1.61 1.65 -0.18 0.00 0.00 -1.26 -4.01 107.32 101.92 3huw s GLY 106 Ca 0.38 0.29 -0.29 0.00 0.00 0.00 0.00 44.72 45.10 3huw s GLY 106 CO 0.20 0.74 1.11 0.14 0.00 0.00 0.00 173.10 175.28 3huw s VAL 107 N -2.75 4.56 0.16 1.40 1.01 -1.08 -4.93 120.40 118.77 3huw s VAL 107 Ca 0.65 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 64.20 3huw s VAL 107 Cb -0.20 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 3huw s VAL 107 CO 0.58 -0.12 1.07 -0.54 0.00 0.00 0.00 175.10 176.09 3huw s LYS 108 N 2.98 4.62 0.00 2.72 1.02 -1.26 -3.22 119.74 126.60 3huw s LYS 108 Ca 0.49 1.66 0.00 0.00 0.02 0.00 0.00 55.97 58.14 3huw s LYS 108 Cb -0.18 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 3huw s LYS 108 CO 0.12 0.10 0.00 -0.25 -0.92 0.00 0.00 175.35 174.40 3huw n ASP 109 N 2.47 -0.01 -4.58 2.83 10.43 -1.26 -4.99 116.55 121.44 3huw n ASP 109 Ca 0.03 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.97 3huw n ASP 109 Cb 0.47 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.40 3huw n ASP 109 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3huw s ARG 110 N -0.28 3.14 -0.20 -1.24 6.06 -1.20 -4.77 118.95 120.46 3huw s ARG 110 Ca 0.00 1.15 0.15 0.00 -2.50 0.00 0.00 55.73 54.54 3huw s ARG 110 Cb 0.00 -4.24 -0.24 0.00 0.06 0.00 0.00 34.95 30.53 3huw s ARG 110 CO 0.00 -2.10 0.06 1.63 -2.50 0.00 0.00 175.30 172.39 3huw n LYS 111 N 8.62 0.68 -4.14 5.12 5.02 -1.26 -4.86 118.16 127.34 3huw n LYS 111 Ca 0.22 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.21 3huw n LYS 111 Cb 0.49 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 3huw n LYS 111 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3huw s LYS 112 N -2.50 2.93 -0.85 1.97 1.02 -1.26 -4.70 119.74 116.35 3huw s LYS 112 Ca -0.13 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 3huw s LYS 112 Cb 0.06 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3huw s LYS 112 CO 0.80 0.62 0.71 0.43 -0.92 0.00 0.00 175.35 176.99 3huw n SER 113 N 1.06 -6.62 0.01 2.83 7.64 -1.26 -4.95 113.62 112.33 3huw n SER 113 Ca -0.12 -0.49 0.11 0.00 1.01 0.00 0.00 58.87 59.38 3huw n SER 113 Cb 0.52 -4.12 -0.06 0.00 -1.01 0.00 0.00 64.21 59.54 3huw n SER 113 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3huw n ARG 114 N -2.46 0.27 -0.02 1.43 1.74 -1.26 -4.24 116.66 112.12 3huw n ARG 114 Ca -0.10 -0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 56.84 3huw n ARG 114 Cb 0.57 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.43 3huw n ARG 114 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3huw h SER 115 N 0.00 -0.09 -4.38 0.55 0.87 -1.92 -3.11 113.55 105.46 3huw h SER 115 Ca 0.00 0.04 -0.46 0.00 -1.23 0.00 0.00 61.79 60.14 3huw h SER 115 Cb 0.71 0.07 0.12 0.00 -0.44 0.00 0.00 62.40 62.86 3huw h SER 115 CO 0.00 -0.03 0.39 -0.54 -0.53 0.00 0.00 176.83 176.12 3huw s LYS 116 N -6.20 1.41 0.00 2.24 1.02 -1.26 -3.36 119.74 113.60 3huw s LYS 116 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 55.97 55.86 3huw s LYS 116 Cb 0.09 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 3huw s LYS 116 CO 0.68 -1.96 0.00 0.66 -0.92 0.00 0.00 175.35 173.81 3huw n TYR 117 N -3.54 0.00 -3.37 3.18 4.02 -1.26 -4.31 117.16 111.88 3huw n TYR 117 Ca 0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.85 3huw n TYR 117 Cb 0.60 -1.36 -0.03 0.00 -0.02 0.00 0.00 39.34 38.54 3huw n TYR 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3huw n GLY 118 N -1.35 -0.11 3.68 2.72 0.00 -1.19 -2.63 105.19 106.30 3huw n GLY 118 Ca 0.00 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3huw n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huw s THR 119 N -3.75 5.36 0.51 2.61 2.01 -1.18 -4.33 115.64 116.87 3huw s THR 119 Ca 0.04 0.22 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 3huw s THR 119 Cb -0.03 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 3huw s THR 119 CO 0.39 0.36 1.10 0.29 -0.69 0.00 0.00 174.62 176.07 3huw n LYS 120 N 4.12 1.35 -1.80 4.92 4.76 -1.26 -4.85 118.16 125.39 3huw n LYS 120 Ca -0.15 0.49 -0.42 0.00 -2.87 0.00 0.00 58.31 55.37 3huw n LYS 120 Cb 0.52 -2.24 -0.03 0.00 -1.84 0.00 0.00 35.03 31.44 3huw n LYS 120 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3huw s LYS 121 N -2.47 4.16 0.34 1.97 2.47 -1.26 -4.92 119.74 120.02 3huw s LYS 121 Ca 0.69 2.51 -0.27 0.00 -1.56 0.00 0.00 55.97 57.34 3huw s LYS 121 Cb -0.47 -3.31 -0.09 0.00 -1.46 0.00 0.00 37.83 32.50 3huw s LYS 121 CO 0.52 -0.74 1.11 -1.25 0.16 0.00 0.00 175.35 175.15 3huw s PRO 122 N 1.79 4.38 0.52 4.03 0.04 -1.26 -4.98 135.00 139.52 3huw s PRO 122 Ca 0.75 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 63.33 3huw s PRO 122 Cb -0.46 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 3huw s PRO 122 CO 0.33 -0.01 1.38 0.21 0.04 0.00 0.00 177.00 178.95 3huw s LYS 123 N -1.90 3.29 -0.33 4.56 2.47 -1.26 -4.80 119.74 121.77 3huw s LYS 123 Ca 0.51 2.29 -0.02 0.00 -1.56 0.00 0.00 55.97 57.18 3huw s LYS 123 Cb -0.30 -2.37 -0.03 0.00 -1.46 0.00 0.00 37.83 33.67 3huw s LYS 123 CO 0.38 -1.08 1.45 0.39 0.16 0.00 0.00 175.35 176.65 3huw n GLU 124 N -0.79 0.85 -2.07 4.03 -0.58 -1.26 -4.49 120.64 116.32 3huw n GLU 124 Ca 0.09 -0.80 -0.03 0.00 -0.42 0.00 0.00 57.16 56.00 3huw n GLU 124 Cb 0.44 -2.09 -0.02 0.00 -0.57 0.00 0.00 31.44 29.20 3huw n GLU 124 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huw n ALA 125 N 4.32 -3.19 0.00 0.62 0.00 -1.26 -5.37 120.51 115.63 3huw n ALA 125 Ca 0.18 1.21 0.00 0.00 0.00 0.00 0.00 53.44 54.83 3huw n ALA 125 Cb 0.09 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.10 3huw n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50