#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2huf s GLU 2 N 0.00 2.96 -0.32 0.03 2.12 -1.26 -5.09 118.70 117.14 2huf s GLU 2 Ca 0.00 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.87 2huf s GLU 2 Cb 0.00 -2.79 0.09 0.00 0.26 0.00 0.00 34.13 31.70 2huf s GLU 2 CO 0.00 0.66 0.05 0.71 -0.54 0.00 0.00 175.26 176.14 2huf s TYR 3 N -1.04 3.00 0.43 5.30 1.51 -1.26 -5.00 117.35 120.28 2huf s TYR 3 Ca 0.18 -2.48 0.13 0.00 -1.01 0.00 0.00 57.07 53.90 2huf s TYR 3 Cb -0.12 -2.39 0.95 0.00 -0.11 0.00 0.00 41.96 40.29 2huf s TYR 3 CO 0.08 -0.91 1.97 1.57 -1.11 0.00 0.00 175.55 177.15 2huf h LYS 4 N 7.79 0.05 -5.41 -0.62 2.10 -2.09 -3.40 116.57 114.99 2huf h LYS 4 Ca -0.09 -0.01 -0.60 0.00 -2.00 0.00 0.00 60.65 57.95 2huf h LYS 4 Cb 1.02 -0.01 -0.11 0.00 -0.90 0.00 0.00 32.23 32.24 2huf h LYS 4 CO 0.49 0.23 -0.42 0.08 -2.00 0.00 0.00 179.45 177.83 2huf s VAL 5 N -4.64 5.37 0.22 0.07 1.01 -1.26 -5.09 120.40 116.08 2huf s VAL 5 Ca -0.04 0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.34 2huf s VAL 5 Cb 0.16 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2huf s VAL 5 CO 0.71 0.44 0.24 0.42 0.00 0.00 0.00 175.10 176.91 2huf s THR 6 N 0.22 4.75 0.07 3.92 -4.23 -1.26 -5.05 115.64 114.05 2huf s THR 6 Ca 0.12 -1.17 -0.32 0.00 -1.18 0.00 0.00 61.69 59.14 2huf s THR 6 Cb -0.12 -3.54 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 2huf s THR 6 CO 0.01 -0.28 1.83 -2.65 -0.54 0.00 0.00 174.62 172.99 2huf n PRO 7 N -1.04 2.57 -1.92 3.99 -0.02 -1.26 -4.89 135.00 132.43 2huf n PRO 7 Ca -0.08 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 2huf n PRO 7 Cb 0.57 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 2huf n PRO 7 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2huf s PRO 8 N 2.97 4.20 0.38 0.52 0.02 -1.26 -4.91 135.00 136.93 2huf s PRO 8 Ca 0.85 2.34 0.06 0.00 0.02 0.00 0.00 61.00 64.27 2huf s PRO 8 Cb -0.55 -3.54 0.77 0.00 0.02 0.00 0.00 34.50 31.20 2huf s PRO 8 CO 0.41 -0.72 2.01 0.00 -0.33 0.00 0.00 177.00 178.37 2huf h ALA 9 N 8.12 1.69 -0.89 -1.55 0.00 -2.02 -2.21 119.26 122.40 2huf h ALA 9 Ca -0.43 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.65 2huf h ALA 9 Cb 1.20 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2huf h ALA 9 CO 0.93 0.25 0.59 -0.24 0.00 0.00 0.00 179.25 180.77 2huf h VAL 10 N 0.70 0.70 -0.00 0.00 3.04 -1.98 -0.68 116.25 118.03 2huf h VAL 10 Ca 0.24 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.78 2huf h VAL 10 Cb 0.09 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 29.59 2huf h VAL 10 CO -0.06 0.08 -0.03 0.18 -1.01 0.00 0.00 177.57 176.72 2huf n LEU 11 N -4.52 0.07 0.09 3.16 4.77 -0.83 -2.58 117.00 117.16 2huf n LEU 11 Ca 0.19 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 2huf n LEU 11 Cb 0.66 -0.35 0.42 0.00 -2.33 0.00 0.00 43.42 41.82 2huf n LEU 11 CO 0.30 0.01 0.86 0.54 -1.33 0.00 0.00 177.39 177.78 2huf n ARG 12 N -1.33 0.23 -2.66 3.23 1.74 -0.26 -4.83 116.66 112.77 2huf n ARG 12 Ca 0.11 0.18 -0.32 0.00 -0.77 0.00 0.00 57.85 57.05 2huf n ARG 12 Cb 0.28 -1.76 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 2huf n ARG 12 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2huf s GLU 13 N -3.09 3.94 0.54 5.56 0.41 -1.06 -5.04 118.70 119.96 2huf s GLU 13 Ca 0.11 0.81 -0.21 0.00 -0.41 0.00 0.00 54.97 55.26 2huf s GLU 13 Cb 0.13 -2.24 -0.05 0.00 -1.78 0.00 0.00 34.13 30.19 2huf s GLU 13 CO 0.60 -0.13 1.31 -1.25 -0.49 0.00 0.00 175.26 175.30 2huf s PRO 14 N -3.77 3.19 0.14 0.39 0.04 -1.26 -4.97 135.00 128.76 2huf s PRO 14 Ca 0.57 2.11 -0.31 0.00 0.04 0.00 0.00 61.00 63.40 2huf s PRO 14 Cb -0.10 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 2huf s PRO 14 CO 0.27 -1.11 1.65 -1.17 0.04 0.00 0.00 177.00 176.69 2huf s LEU 15 N -3.54 4.37 -0.17 -3.56 0.20 -1.26 -5.02 118.68 109.71 2huf s LEU 15 Ca 0.71 2.64 0.00 0.00 0.69 0.00 0.00 54.13 58.17 2huf s LEU 15 Cb -0.37 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 41.81 2huf s LEU 15 CO 0.44 -0.89 -0.15 0.54 -0.29 0.00 0.00 176.35 175.99 2huf s VAL 16 N 1.80 2.57 -0.44 1.68 0.11 -1.26 -5.06 120.40 119.80 2huf s VAL 16 Ca 0.73 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 2huf s VAL 16 Cb -0.44 -2.09 0.15 0.00 -1.53 0.00 0.00 36.38 32.47 2huf s VAL 16 CO 0.32 0.51 0.28 0.42 -3.33 0.00 0.00 175.10 173.30 2huf s THR 17 N 1.01 0.98 0.54 5.04 -4.23 -1.26 -5.12 115.64 112.60 2huf s THR 17 Ca -0.02 -2.52 -0.22 0.00 -1.18 0.00 0.00 61.69 57.76 2huf s THR 17 Cb -0.15 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 2huf s THR 17 CO -0.04 -1.00 1.35 -2.84 -0.54 0.00 0.00 174.62 171.55 2huf s PRO 18 N 0.31 3.19 -0.48 3.99 0.02 -1.26 -4.94 135.00 135.82 2huf s PRO 18 Ca 0.22 2.22 -0.21 0.00 0.02 0.00 0.00 61.00 63.24 2huf s PRO 18 Cb -0.16 -2.27 0.04 0.00 0.02 0.00 0.00 34.50 32.12 2huf s PRO 18 CO -0.06 -1.15 0.71 1.21 -0.33 0.00 0.00 177.00 177.39 2huf s ASN 19 N -0.96 6.31 0.22 2.53 3.84 -1.26 -5.03 114.94 120.58 2huf s ASN 19 Ca 0.71 -0.49 0.09 0.00 0.21 0.00 0.00 52.86 53.38 2huf s ASN 19 Cb -0.40 -2.34 -0.04 0.00 -0.55 0.00 0.00 41.25 37.92 2huf s ASN 19 CO 0.47 -0.92 -0.01 -0.54 -2.79 0.00 0.00 177.10 173.32 2huf s LYS 20 N 3.04 2.33 -0.50 0.43 1.02 -1.26 -4.99 119.74 119.81 2huf s LYS 20 Ca 0.23 -1.27 -0.19 0.00 0.02 0.00 0.00 55.97 54.75 2huf s LYS 20 Cb -0.15 -2.25 0.05 0.00 -0.52 0.00 0.00 37.83 34.97 2huf s LYS 20 CO 0.17 0.41 0.63 -1.17 -0.92 0.00 0.00 175.35 174.47 2huf s LEU 21 N -3.32 4.88 -1.11 3.17 2.96 -0.22 -4.95 118.68 120.10 2huf s LEU 21 Ca 0.29 -0.82 -0.16 0.00 -0.22 0.00 0.00 54.13 53.22 2huf s LEU 21 Cb -0.08 -2.48 0.15 0.00 0.50 0.00 0.00 46.19 44.28 2huf s LEU 21 CO 0.19 -0.87 1.34 -0.76 -1.32 0.00 0.00 176.35 174.92 2huf s LEU 22 N 2.66 5.00 -0.19 -0.68 1.43 -1.26 -1.10 118.68 124.53 2huf s LEU 22 Ca 0.16 -2.63 0.11 0.00 -1.03 0.00 0.00 54.13 50.75 2huf s LEU 22 Cb -0.18 -2.41 0.66 0.00 0.03 0.00 0.00 46.19 44.29 2huf s LEU 22 CO 0.13 -0.88 1.51 0.23 0.23 0.00 0.00 176.35 177.57 2huf n MET 23 N 6.09 4.13 -0.10 1.70 2.81 -1.10 -4.57 117.12 126.08 2huf n MET 23 Ca 0.33 -2.54 0.00 0.00 -1.81 0.00 0.00 57.70 53.68 2huf n MET 23 Cb 0.45 -2.12 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 2huf n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2huf n GLY 24 N 0.49 -0.78 0.73 3.03 0.00 -1.18 -0.86 105.19 106.63 2huf n GLY 24 Ca 0.23 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.55 2huf n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2huf n PRO 25 N -0.95 1.85 0.00 1.61 -0.04 -1.26 -2.79 135.00 133.42 2huf n PRO 25 Ca 0.00 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2huf n PRO 25 Cb 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2huf n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2huf n GLY 26 N 0.30 4.27 3.79 0.55 0.00 -1.26 -4.93 105.19 107.91 2huf n GLY 26 Ca 0.07 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 2huf n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2huf s PRO 27 N -4.31 2.56 0.32 1.61 0.05 -1.26 -5.13 135.00 128.84 2huf s PRO 27 Ca 0.00 1.13 0.06 0.00 0.05 0.00 0.00 61.00 62.24 2huf s PRO 27 Cb 0.00 -1.94 -0.01 0.00 0.05 0.00 0.00 34.50 32.60 2huf s PRO 27 CO 0.00 -1.40 0.46 -1.54 0.05 0.00 0.00 177.00 174.57 2huf s SER 28 N -3.40 6.04 0.15 6.66 1.04 -0.05 -4.82 113.70 119.32 2huf s SER 28 Ca 0.61 -0.09 -0.31 0.00 0.48 0.00 0.00 55.95 56.64 2huf s SER 28 Cb -0.16 -1.40 -0.10 0.00 0.10 0.00 0.00 66.02 64.45 2huf s SER 28 CO 0.53 -0.37 1.61 0.20 0.98 0.00 0.00 173.24 176.20 2huf s ASN 29 N -4.13 6.56 0.22 7.02 0.01 -1.26 -4.81 114.94 118.55 2huf s ASN 29 Ca 0.43 2.63 -0.30 0.00 -0.71 0.00 0.00 52.86 54.91 2huf s ASN 29 Cb -0.09 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.89 2huf s ASN 29 CO 0.31 -0.86 1.14 0.00 -1.51 0.00 0.00 177.10 176.18 2huf s ALA 30 N 1.48 3.41 0.49 0.60 0.00 -1.26 -4.34 121.76 122.15 2huf s ALA 30 Ca 0.72 0.91 -0.23 0.00 0.00 0.00 0.00 51.96 53.35 2huf s ALA 30 Cb -0.44 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.24 2huf s ALA 30 CO 0.32 -0.26 1.31 -2.30 0.00 0.00 0.00 175.76 174.83 2huf n PRO 31 N 1.90 1.81 -0.19 0.00 -0.02 -1.26 -4.83 135.00 132.42 2huf n PRO 31 Ca 0.02 0.66 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 2huf n PRO 31 Cb 0.45 -2.49 0.43 0.00 -0.02 0.00 0.00 33.50 31.87 2huf n PRO 31 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2huf h GLN 32 N 1.73 0.55 -0.99 -0.52 5.75 -1.98 -0.68 115.11 118.97 2huf h GLN 32 Ca -0.50 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 57.99 2huf h GLN 32 Cb 1.30 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.67 2huf h GLN 32 CO 0.58 0.37 0.66 -0.09 -2.65 0.00 0.00 178.83 177.69 2huf h ARG 33 N 0.57 1.28 -0.20 1.69 2.43 -1.99 0.44 114.38 118.60 2huf h ARG 33 Ca 0.37 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 59.28 2huf h ARG 33 Cb 0.64 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2huf h ARG 33 CO -0.13 0.85 -0.56 -0.39 -1.51 0.00 0.00 179.97 178.23 2huf h VAL 34 N 1.32 1.30 -0.53 0.20 -1.51 -1.48 -2.43 116.25 113.13 2huf h VAL 34 Ca 0.37 -1.77 0.01 0.00 -1.23 0.00 0.00 66.70 64.08 2huf h VAL 34 Cb -0.11 1.86 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 2huf h VAL 34 CO -0.09 0.56 0.35 -0.07 -1.23 0.00 0.00 177.57 177.09 2huf h LEU 35 N 0.46 0.60 -0.91 4.19 3.38 -1.14 -2.46 115.31 119.43 2huf h LEU 35 Ca -0.01 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2huf h LEU 35 Cb 1.18 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 2huf h LEU 35 CO 0.12 0.43 0.57 0.44 0.09 0.00 0.00 178.44 180.09 2huf h ASP 36 N 0.71 0.88 0.31 -0.43 3.32 -0.92 -2.29 116.42 117.99 2huf h ASP 36 Ca 0.20 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 2huf h ASP 36 Cb -0.07 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2huf h ASP 36 CO -0.05 0.55 -0.17 0.00 -1.72 0.00 0.00 179.24 177.85 2huf h ALA 37 N 1.44 1.43 -0.02 3.45 0.00 -0.96 -2.33 119.26 122.26 2huf h ALA 37 Ca 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2huf h ALA 37 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2huf h ALA 37 CO -0.19 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 177.94 2huf n MET 38 N -3.91 1.10 0.00 0.00 2.81 -0.86 -2.17 117.12 114.09 2huf n MET 38 Ca -0.02 -0.15 0.13 0.00 -1.81 0.00 0.00 57.70 55.85 2huf n MET 38 Cb 0.26 -1.36 0.33 0.00 -0.71 0.00 0.00 33.22 31.74 2huf n MET 38 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2huf n SER 39 N -0.69 2.16 -4.76 7.83 7.64 -0.88 -4.96 113.62 119.97 2huf n SER 39 Ca 0.17 -1.71 -0.34 0.00 1.01 0.00 0.00 58.87 57.99 2huf n SER 39 Cb 0.12 0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.37 2huf n SER 39 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2huf s ARG 40 N -2.01 2.79 0.62 1.43 1.81 -0.92 -4.97 118.95 117.70 2huf s ARG 40 Ca 0.33 1.62 -0.18 0.00 -1.72 0.00 0.00 55.73 55.79 2huf s ARG 40 Cb 0.21 -1.93 -0.02 0.00 -0.45 0.00 0.00 34.95 32.76 2huf s ARG 40 CO 0.32 -1.30 1.22 -1.25 -0.68 0.00 0.00 175.30 173.61 2huf s PRO 41 N -3.72 2.77 0.37 3.54 0.04 -1.26 -4.94 135.00 131.80 2huf s PRO 41 Ca 0.72 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 63.34 2huf s PRO 41 Cb -0.26 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 2huf s PRO 41 CO 0.38 -1.37 1.29 0.42 0.04 0.00 0.00 177.00 177.75 2huf s ILE 42 N -1.63 2.73 0.19 0.56 -1.09 -1.26 -4.96 121.20 115.74 2huf s ILE 42 Ca 0.78 0.69 0.10 0.00 -2.23 0.00 0.00 60.65 59.98 2huf s ILE 42 Cb -0.31 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2huf s ILE 42 CO 0.36 0.13 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.32 2huf s LEU 43 N -2.11 2.87 0.46 2.97 1.43 -1.26 -5.12 118.68 117.92 2huf s LEU 43 Ca 0.53 -0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 2huf s LEU 43 Cb -0.38 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 2huf s LEU 43 CO 0.50 0.10 1.30 -0.83 0.23 0.00 0.00 176.35 177.65 2huf s GLY 44 N -2.87 2.88 0.61 -3.19 0.00 -1.26 -4.75 107.32 98.73 2huf s GLY 44 Ca 0.25 1.22 0.38 0.00 0.00 0.00 0.00 44.72 46.57 2huf s GLY 44 CO 0.14 1.76 2.19 1.12 0.00 0.00 0.00 173.10 178.32 2huf h HIS 45 N 2.13 0.00 -0.12 1.90 2.07 -1.94 -2.60 115.15 116.58 2huf h HIS 45 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2huf h HIS 45 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 2huf h HIS 45 CO 0.51 0.01 0.00 1.28 -3.07 0.00 0.00 177.93 176.66 2huf n LEU 46 N -3.16 2.49 -4.77 6.12 4.77 -1.26 -4.77 117.00 116.41 2huf n LEU 46 Ca -0.01 -2.25 -0.37 0.00 -0.03 0.00 0.00 56.01 53.34 2huf n LEU 46 Cb 0.18 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2huf n LEU 46 CO 0.24 0.61 0.80 -1.00 -1.33 0.00 0.00 177.39 176.71 2huf s HIS 47 N -1.44 2.95 0.34 -1.77 3.76 -0.98 -4.85 115.29 113.30 2huf s HIS 47 Ca 0.15 1.56 0.07 0.00 -0.15 0.00 0.00 55.06 56.69 2huf s HIS 47 Cb 0.11 -3.31 0.75 0.00 1.11 0.00 0.00 32.58 31.23 2huf s HIS 47 CO 0.06 -1.29 1.88 -1.35 -0.85 0.00 0.00 174.74 173.18 2huf h PRO 48 N 2.09 0.75 -0.26 8.40 0.11 -1.96 -0.98 132.00 140.15 2huf h PRO 48 Ca -0.49 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 2huf h PRO 48 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2huf h PRO 48 CO 0.60 0.49 -0.13 0.93 -0.21 0.00 0.00 178.00 179.69 2huf h GLU 49 N 0.77 0.43 -0.13 1.05 3.07 -1.94 0.49 114.58 118.32 2huf h GLU 49 Ca 0.44 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 59.14 2huf h GLU 49 Cb 0.60 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2huf h GLU 49 CO -0.20 0.56 -0.06 1.15 -1.40 0.00 0.00 179.01 179.05 2huf h THR 50 N 0.40 1.32 -0.45 1.13 2.02 -1.48 -2.52 112.91 113.32 2huf h THR 50 Ca 0.08 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 2huf h THR 50 Cb 0.47 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2huf h THR 50 CO 0.03 0.32 0.16 -0.07 0.37 0.00 0.00 175.52 176.33 2huf h LEU 51 N -0.08 0.59 -0.35 2.58 3.38 -0.99 -0.31 115.31 120.13 2huf h LEU 51 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2huf h LEU 51 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2huf h LEU 51 CO 0.02 0.55 0.22 0.50 0.09 0.00 0.00 178.44 179.82 2huf h LYS 52 N 0.64 0.47 -0.35 1.13 1.63 -0.86 0.13 116.57 119.36 2huf h LYS 52 Ca 0.15 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2huf h LYS 52 Cb 0.16 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 2huf h LYS 52 CO -0.01 0.33 0.16 0.82 -3.45 0.00 0.00 179.45 177.29 2huf h ILE 53 N 0.46 1.18 -0.59 2.00 2.04 -0.92 -0.98 117.51 120.70 2huf h ILE 53 Ca 0.13 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.53 2huf h ILE 53 Cb -0.03 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 2huf h ILE 53 CO -0.03 0.19 0.27 0.24 0.00 0.00 0.00 178.15 178.83 2huf h MET 54 N 0.43 0.49 -0.94 2.37 2.86 -0.88 0.11 114.93 119.37 2huf h MET 54 Ca 0.12 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2huf h MET 54 Cb 0.16 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 2huf h MET 54 CO -0.01 0.32 0.62 -0.44 1.06 0.00 0.00 176.91 178.46 2huf h ASP 55 N 0.50 1.05 -0.24 1.22 3.32 -0.28 -0.89 116.42 121.11 2huf h ASP 55 Ca 0.28 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.11 2huf h ASP 55 Cb 0.25 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2huf h ASP 55 CO -0.23 0.75 -0.60 0.44 -1.72 0.00 0.00 179.24 177.88 2huf h ASP 56 N 1.24 0.95 -0.52 6.45 3.32 -0.70 -2.58 116.42 124.58 2huf h ASP 56 Ca 0.35 -0.56 0.06 0.00 0.02 0.00 0.00 57.03 56.90 2huf h ASP 56 Cb -0.09 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.13 2huf h ASP 56 CO -0.09 1.34 0.23 0.40 -1.72 0.00 0.00 179.24 179.40 2huf h ILE 57 N 0.60 0.90 -0.75 0.35 2.04 -0.66 -1.81 117.51 118.16 2huf h ILE 57 Ca -0.01 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 65.80 2huf h ILE 57 Cb 1.22 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 2huf h ILE 57 CO 0.13 0.08 0.38 0.11 0.00 0.00 0.00 178.15 178.86 2huf h LYS 58 N 0.45 0.62 -0.64 2.37 1.57 -0.92 0.15 116.57 120.17 2huf h LYS 58 Ca 0.24 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2huf h LYS 58 Cb 0.20 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2huf h LYS 58 CO -0.20 0.41 0.18 0.93 -0.57 0.00 0.00 179.45 180.20 2huf h GLU 59 N 0.63 1.01 -0.53 3.15 5.08 -1.07 -1.08 114.58 121.77 2huf h GLU 59 Ca 0.38 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2huf h GLU 59 Cb 0.41 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2huf h GLU 59 CO -0.28 0.90 0.08 0.78 -1.00 0.00 0.00 179.01 179.49 2huf h GLY 60 N 0.93 0.95 0.98 -3.84 0.00 -0.49 -1.55 103.07 100.06 2huf h GLY 60 Ca 0.20 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 2huf h GLY 60 CO -0.00 0.59 0.24 -0.24 0.00 0.00 0.00 176.54 177.12 2huf h VAL 61 N 0.77 1.22 -0.98 4.60 3.04 -0.54 -1.02 116.25 123.33 2huf h VAL 61 Ca 0.16 -0.66 0.07 0.00 -1.01 0.00 0.00 66.70 65.26 2huf h VAL 61 Cb 0.41 0.61 -0.07 0.00 -2.01 0.00 0.00 31.29 30.23 2huf h VAL 61 CO 0.01 0.26 0.63 0.03 -1.01 0.00 0.00 177.57 177.49 2huf h ARG 62 N 0.76 1.10 0.38 4.17 3.08 -0.97 0.10 114.38 123.00 2huf h ARG 62 Ca 0.19 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 2huf h ARG 62 Cb 0.18 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2huf h ARG 62 CO -0.02 0.73 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.51 2huf h TYR 63 N 1.13 -0.47 -0.59 3.04 3.20 -0.88 -0.03 116.97 122.37 2huf h TYR 63 Ca 0.43 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 2huf h TYR 63 Cb 0.20 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2huf h TYR 63 CO -0.01 -0.26 0.20 -0.07 -1.64 0.00 0.00 178.16 176.39 2huf h LEU 64 N -0.57 0.81 0.00 2.82 4.07 -0.67 -2.23 115.31 119.54 2huf h LEU 64 Ca -0.05 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.78 2huf h LEU 64 Cb 0.43 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2huf h LEU 64 CO 0.09 0.76 -0.15 -0.26 -1.08 0.00 0.00 178.44 177.79 2huf h PHE 65 N 0.86 0.00 -5.74 1.13 -1.00 -0.83 -3.47 116.94 107.89 2huf h PHE 65 Ca 0.20 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.66 2huf h PHE 65 Cb 0.23 0.00 0.16 0.00 3.61 0.00 0.00 35.95 39.94 2huf h PHE 65 CO 0.01 0.00 -0.89 1.04 -1.61 0.00 0.00 178.31 176.87 2huf n GLN 66 N -3.03 -1.96 -4.11 1.51 1.13 -0.14 -1.29 117.38 109.49 2huf n GLN 66 Ca 0.03 0.71 -0.15 0.00 -1.94 0.00 0.00 57.00 55.66 2huf n GLN 66 Cb 0.53 -5.20 -0.11 0.00 0.11 0.00 0.00 30.24 25.57 2huf n GLN 66 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2huf s THR 67 N -3.42 0.76 -0.75 5.09 -1.32 -0.51 -2.80 115.64 112.69 2huf s THR 67 Ca 0.45 -1.25 0.16 0.00 -1.21 0.00 0.00 61.69 59.84 2huf s THR 67 Cb -0.10 -0.88 0.61 0.00 -1.51 0.00 0.00 72.50 70.62 2huf s THR 67 CO 0.79 -0.38 1.53 0.59 -2.21 0.00 0.00 174.62 174.93 2huf n ASN 68 N 1.23 4.34 -4.68 8.08 3.02 -1.26 -4.62 115.26 121.36 2huf n ASN 68 Ca -0.21 -2.57 -0.44 0.00 -0.03 0.00 0.00 54.58 51.33 2huf n ASN 68 Cb 0.55 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 2huf n ASN 68 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2huf n ASN 69 N 0.55 3.76 -0.12 6.41 5.03 -1.26 -4.88 115.26 124.76 2huf n ASN 69 Ca 0.22 0.99 0.01 0.00 0.87 0.00 0.00 54.58 56.67 2huf n ASN 69 Cb 0.85 -1.48 0.30 0.00 -1.02 0.00 0.00 39.78 38.42 2huf n ASN 69 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 2huf h ILE 70 N 4.78 1.17 -0.12 2.41 3.07 -1.90 -3.27 117.51 123.66 2huf h ILE 70 Ca -0.47 -0.42 -0.70 0.00 1.55 0.00 0.00 64.86 64.82 2huf h ILE 70 Cb 1.24 0.39 -0.02 0.00 -0.27 0.00 0.00 36.82 38.16 2huf h ILE 70 CO 0.94 0.19 3.36 0.00 -1.05 0.00 0.00 178.15 181.58 2huf n ALA 71 N -2.45 6.44 -3.53 0.16 0.00 -1.26 -4.71 120.51 115.16 2huf n ALA 71 Ca 0.05 -3.76 -0.30 0.00 0.00 0.00 0.00 53.44 49.43 2huf n ALA 71 Cb 0.09 -3.41 -0.17 0.00 0.00 0.00 0.00 19.45 15.96 2huf n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2huf s THR 72 N 2.46 1.69 0.10 0.00 2.01 -1.24 -0.72 115.64 119.94 2huf s THR 72 Ca 0.56 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 2huf s THR 72 Cb 0.16 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.17 2huf s THR 72 CO -0.07 0.48 0.22 2.22 -0.69 0.00 0.00 174.62 176.77 2huf n PHE 73 N 3.97 -1.29 -4.38 4.92 1.16 -0.51 -4.91 117.46 116.42 2huf n PHE 73 Ca -0.20 -0.47 -0.26 0.00 -1.87 0.00 0.00 57.45 54.65 2huf n PHE 73 Cb 0.52 0.24 -0.12 0.00 -1.61 0.00 0.00 39.48 38.50 2huf n PHE 73 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2huf s LEU 75 N -2.35 4.40 -1.42 0.00 1.43 0.71 -4.88 118.68 116.57 2huf s LEU 75 Ca 0.15 0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 2huf s LEU 75 Cb -0.09 -2.13 0.07 0.00 0.03 0.00 0.00 46.19 44.07 2huf s LEU 75 CO 0.07 0.40 2.15 -1.20 0.23 0.00 0.00 176.35 178.00 2huf n SER 76 N 1.99 4.31 -3.51 2.29 7.64 -1.26 -1.03 113.62 124.05 2huf n SER 76 Ca -0.19 -2.91 -0.09 0.00 1.01 0.00 0.00 58.87 56.69 2huf n SER 76 Cb 0.55 -1.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 2huf n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2huf s ALA 77 N 2.40 -1.83 1.25 -0.43 0.00 -1.09 -4.98 121.76 117.08 2huf s ALA 77 Ca 0.45 1.08 -0.20 0.00 0.00 0.00 0.00 51.96 53.30 2huf s ALA 77 Cb 0.13 0.28 0.31 0.00 0.00 0.00 0.00 23.12 23.84 2huf s ALA 77 CO -0.06 -0.64 1.08 -1.54 0.00 0.00 0.00 175.76 174.60 2huf s SER 78 N -2.30 0.49 0.41 0.00 1.04 -1.26 -2.81 113.70 109.27 2huf s SER 78 Ca 0.04 0.62 0.16 0.00 0.48 0.00 0.00 55.95 57.25 2huf s SER 78 Cb -0.01 -0.85 1.03 0.00 0.10 0.00 0.00 66.02 66.29 2huf s SER 78 CO -0.07 -4.39 1.86 1.23 0.98 0.00 0.00 173.24 172.85 2huf h GLY 79 N -2.76 0.94 1.34 7.32 0.00 -1.90 0.30 103.07 108.31 2huf h GLY 79 Ca -0.44 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 46.73 2huf h GLY 79 CO 0.31 0.01 0.33 0.45 0.00 0.00 0.00 176.54 177.64 2huf h HIS 80 N 0.46 0.46 -0.69 5.60 -0.00 -1.97 -1.19 115.15 117.83 2huf h HIS 80 Ca 0.46 0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.93 2huf h HIS 80 Cb 1.07 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 28.28 2huf h HIS 80 CO -0.00 0.26 0.46 0.78 -0.00 0.00 0.00 177.93 179.42 2huf h GLY 81 N 0.47 0.83 0.98 2.45 0.00 -0.70 0.13 103.07 107.24 2huf h GLY 81 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2huf h GLY 81 CO -0.05 0.16 0.16 -1.33 0.00 0.00 0.00 176.54 175.47 2huf h GLY 82 N 0.61 0.36 0.97 4.60 0.00 -1.27 -0.10 103.07 108.25 2huf h GLY 82 Ca 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2huf h GLY 82 CO -0.10 0.14 0.15 1.98 0.00 0.00 0.00 176.54 178.71 2huf h MET 83 N 0.32 0.35 -0.28 4.80 1.85 -1.29 -2.01 114.93 118.67 2huf h MET 83 Ca 0.09 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 59.20 2huf h MET 83 Cb 0.00 -0.07 -0.05 0.00 0.43 0.00 0.00 31.60 31.91 2huf h MET 83 CO -0.02 0.29 -0.05 0.93 -0.40 0.00 0.00 176.91 177.66 2huf h GLU 84 N 0.32 0.02 -0.28 0.39 4.39 -0.65 -2.45 114.58 116.33 2huf h GLU 84 Ca 0.09 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 2huf h GLU 84 Cb 0.03 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2huf h GLU 84 CO -0.02 0.01 -0.54 0.00 -1.16 0.00 0.00 179.01 177.31 2huf h ALA 85 N 1.27 0.51 -0.43 3.43 0.00 -0.82 0.20 119.26 123.42 2huf h ALA 85 Ca 0.13 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2huf h ALA 85 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2huf h ALA 85 CO -0.27 0.68 0.07 1.15 0.00 0.00 0.00 179.25 180.88 2huf h THR 86 N 0.64 1.24 -0.27 0.00 2.02 -1.34 -0.73 112.91 114.47 2huf h THR 86 Ca 0.02 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.16 2huf h THR 86 Cb 1.14 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2huf h THR 86 CO 0.12 0.31 -0.42 -0.07 0.37 0.00 0.00 175.52 175.83 2huf h LEU 87 N 0.57 0.83 -0.59 2.58 3.38 -1.26 -2.77 115.31 118.05 2huf h LEU 87 Ca 0.13 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2huf h LEU 87 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2huf h LEU 87 CO 0.01 1.19 0.26 0.00 0.09 0.00 0.00 178.44 179.98 2huf h ASN 89 N 0.81 0.19 -0.14 0.00 2.35 -1.17 -3.33 115.58 114.29 2huf h ASN 89 Ca 0.20 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2huf h ASN 89 Cb 0.17 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2huf h ASN 89 CO -0.02 1.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.94 2huf n LEU 90 N -3.60 2.91 -4.27 1.61 4.77 -1.05 -4.64 117.00 112.74 2huf n LEU 90 Ca -0.03 -1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 54.47 2huf n LEU 90 Cb 0.83 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.69 2huf n LEU 90 CO 0.47 0.55 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.77 2huf s LEU 91 N -1.61 2.04 0.32 2.23 1.43 -0.80 -4.97 118.68 117.33 2huf s LEU 91 Ca 0.28 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 53.02 2huf s LEU 91 Cb 0.18 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.08 2huf s LEU 91 CO 0.27 0.27 -0.09 -1.61 0.23 0.00 0.00 176.35 175.41 2huf s GLU 92 N -0.39 1.87 0.12 1.70 2.02 -1.26 -4.87 118.70 117.90 2huf s GLU 92 Ca 0.04 -1.82 -0.35 0.00 0.02 0.00 0.00 54.97 52.86 2huf s GLU 92 Cb -0.11 -1.80 -0.15 0.00 0.10 0.00 0.00 34.13 32.17 2huf s GLU 92 CO 0.01 0.20 1.44 -0.25 0.02 0.00 0.00 175.26 176.67 2huf n ASP 93 N -0.79 2.27 0.00 -0.19 8.00 -1.26 -1.44 116.55 123.14 2huf n ASP 93 Ca -0.05 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.56 2huf n ASP 93 Cb 0.62 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 2huf n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2huf n GLY 94 N 2.87 1.57 3.77 0.44 0.00 -0.03 -4.97 105.19 108.84 2huf n GLY 94 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2huf n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2huf s ASP 95 N -3.23 6.44 -0.17 1.61 1.01 -0.52 -4.38 116.67 117.44 2huf s ASP 95 Ca 0.00 2.85 -0.19 0.00 0.71 0.00 0.00 52.55 55.92 2huf s ASP 95 Cb 0.00 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 2huf s ASP 95 CO 0.00 -0.78 0.55 -0.69 0.21 0.00 0.00 175.17 174.46 2huf s VAL 96 N -1.16 5.10 -0.02 -1.27 1.01 -1.26 -0.35 120.40 122.45 2huf s VAL 96 Ca 0.53 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.63 2huf s VAL 96 Cb -0.43 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2huf s VAL 96 CO 0.57 0.20 -0.23 -0.63 0.00 0.00 0.00 175.10 175.01 2huf s ILE 97 N 1.38 1.83 -0.20 2.22 1.09 -0.64 -0.93 121.20 125.96 2huf s ILE 97 Ca 0.27 -0.99 -0.07 0.00 -1.10 0.00 0.00 60.65 58.76 2huf s ILE 97 Cb -0.16 -1.52 -0.04 0.00 -1.06 0.00 0.00 42.46 39.68 2huf s ILE 97 CO 0.11 0.52 0.05 -0.22 -0.10 0.00 0.00 174.94 175.30 2huf s LEU 98 N -0.52 3.64 -0.26 2.97 2.96 -0.16 -0.39 118.68 126.93 2huf s LEU 98 Ca 0.08 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.87 2huf s LEU 98 Cb -0.09 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2huf s LEU 98 CO -0.01 0.12 0.15 -0.63 -1.32 0.00 0.00 176.35 174.66 2huf s ILE 99 N 0.71 5.05 -0.59 6.68 -1.09 0.70 -0.93 121.20 131.73 2huf s ILE 99 Ca 0.03 0.08 -0.25 0.00 -2.23 0.00 0.00 60.65 58.27 2huf s ILE 99 Cb -0.13 -3.38 0.04 0.00 -1.58 0.00 0.00 42.46 37.41 2huf s ILE 99 CO 0.02 0.31 1.03 -0.83 -1.23 0.00 0.00 174.94 174.24 2huf s GLY 100 N 1.45 1.29 -0.37 6.18 0.00 0.19 -1.19 107.32 114.87 2huf s GLY 100 Ca 0.07 -1.26 -0.20 0.00 0.00 0.00 0.00 44.72 43.32 2huf s GLY 100 CO 0.07 2.21 0.63 -1.58 0.00 0.00 0.00 173.10 174.43 2huf s HIS 101 N 4.36 3.13 -0.09 1.90 2.46 0.41 -4.43 115.29 123.03 2huf s HIS 101 Ca 0.32 0.25 0.14 0.00 0.47 0.00 0.00 55.06 56.24 2huf s HIS 101 Cb -0.12 -3.18 0.21 0.00 -0.13 0.00 0.00 32.58 29.36 2huf s HIS 101 CO 0.19 -0.68 1.10 0.25 -2.47 0.00 0.00 174.74 173.13 2huf n THR 102 N 5.64 1.58 -2.64 0.89 -2.24 -1.26 -1.01 114.28 115.25 2huf n THR 102 Ca -0.01 -1.85 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 2huf n THR 102 Cb 0.48 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2huf n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2huf n GLY 103 N -1.14 -0.29 0.38 3.38 0.00 -1.26 -4.69 105.19 101.57 2huf n GLY 103 Ca 0.11 -1.42 0.23 0.00 0.00 0.00 0.00 46.02 44.94 2huf n GLY 103 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2huf h HIS 104 N 0.00 0.81 0.00 1.61 -0.00 -1.93 -1.46 115.15 114.18 2huf h HIS 104 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2huf h HIS 104 Cb 0.00 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.18 2huf h HIS 104 CO 0.00 -0.00 -0.11 -1.49 -0.00 0.00 0.00 177.93 176.33 2huf h TRP 105 N 0.41 0.00 -0.61 5.26 4.06 -1.97 0.45 115.95 123.55 2huf h TRP 105 Ca 0.66 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.51 2huf h TRP 105 Cb 1.55 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.69 2huf h TRP 105 CO -0.01 0.11 -0.00 0.78 -3.56 0.00 0.00 178.44 175.76 2huf h GLY 106 N 1.26 1.17 0.93 1.49 0.00 -1.54 -1.30 103.07 105.08 2huf h GLY 106 Ca -0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 2huf h GLY 106 CO 0.01 0.80 -0.03 -0.55 0.00 0.00 0.00 176.54 176.77 2huf h ASP 107 N 0.99 0.66 -0.40 0.19 3.32 -1.02 -2.17 116.42 118.00 2huf h ASP 107 Ca 0.17 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 2huf h ASP 107 Cb 0.57 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2huf h ASP 107 CO 0.03 0.84 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.25 2huf h ARG 108 N 0.48 0.73 -0.59 3.56 9.65 -1.20 -1.46 114.38 125.55 2huf h ARG 108 Ca 0.10 -0.26 -0.10 0.00 -1.10 0.00 0.00 59.98 58.62 2huf h ARG 108 Cb 0.52 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 2huf h ARG 108 CO 0.03 0.85 -0.02 0.66 2.80 0.00 0.00 179.97 184.28 2huf h SER 109 N 0.55 1.04 -0.91 -3.80 4.64 -1.29 -1.67 113.55 112.11 2huf h SER 109 Ca 0.11 -0.32 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2huf h SER 109 Cb 0.55 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 2huf h SER 109 CO 0.03 1.10 0.60 0.00 -0.87 0.00 0.00 176.83 177.69 2huf h ALA 110 N 0.97 1.18 0.29 5.18 0.00 -1.25 -0.33 119.26 125.30 2huf h ALA 110 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2huf h ALA 110 Cb 0.58 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2huf h ALA 110 CO 0.03 0.51 -0.22 0.22 0.00 0.00 0.00 179.25 179.79 2huf h ASP 111 N 1.20 -0.58 -0.52 0.00 3.58 -0.97 -0.97 116.42 118.16 2huf h ASP 111 Ca 0.35 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.80 2huf h ASP 111 Cb -0.08 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2huf h ASP 111 CO -0.09 -0.34 0.17 0.24 -2.88 0.00 0.00 179.24 176.34 2huf h MET 112 N -0.52 0.81 -0.79 0.28 2.86 -1.02 -1.04 114.93 115.51 2huf h MET 112 Ca -0.02 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2huf h MET 112 Cb 0.45 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 2huf h MET 112 CO -0.01 0.74 0.46 0.00 1.06 0.00 0.00 176.91 179.17 2huf h ALA 113 N 1.03 1.01 -0.40 6.32 0.00 -1.01 -0.60 119.26 125.61 2huf h ALA 113 Ca 0.17 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2huf h ALA 113 Cb 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2huf h ALA 113 CO -0.01 0.49 -0.11 0.00 0.00 0.00 0.00 179.25 179.63 2huf h THR 114 N 1.09 1.25 -0.33 0.00 1.03 -0.71 -1.84 112.91 113.40 2huf h THR 114 Ca 0.28 -1.12 -0.02 0.00 -0.01 0.00 0.00 66.41 65.54 2huf h THR 114 Cb -0.02 1.06 -0.02 0.00 -1.07 0.00 0.00 68.15 68.11 2huf h THR 114 CO -0.05 0.38 0.10 0.03 -0.01 0.00 0.00 175.52 175.97 2huf h ARG 115 N 0.64 0.48 -0.01 0.00 3.08 -0.38 -0.77 114.38 117.41 2huf h ARG 115 Ca 0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2huf h ARG 115 Cb 0.55 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2huf h ARG 115 CO 0.03 0.42 0.00 0.66 -1.07 0.00 0.00 179.97 180.02 2huf n TYR 116 N -4.37 0.01 -0.35 3.04 4.01 -0.31 -4.91 117.16 114.28 2huf n TYR 116 Ca 0.02 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2huf n TYR 116 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 2huf n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2huf n GLY 117 N 1.00 0.81 3.86 2.72 0.00 -0.30 -4.50 105.19 108.78 2huf n GLY 117 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2huf n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2huf s ALA 118 N -2.06 3.01 -0.58 4.61 0.00 -0.73 -0.85 121.76 125.15 2huf s ALA 118 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2huf s ALA 118 Cb 0.00 -3.09 0.08 0.00 0.00 0.00 0.00 23.12 20.11 2huf s ALA 118 CO 0.00 -0.82 0.76 0.34 0.00 0.00 0.00 175.76 176.04 2huf s ASP 119 N -4.14 6.20 -0.17 0.00 -1.08 0.52 -4.59 116.67 113.41 2huf s ASP 119 Ca 0.56 -1.13 -0.18 0.00 -0.52 0.00 0.00 52.55 51.28 2huf s ASP 119 Cb -0.11 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 38.98 2huf s ASP 119 CO 0.54 -1.14 0.50 -0.69 0.52 0.00 0.00 175.17 174.90 2huf s VAL 120 N 3.08 5.13 0.10 1.11 1.01 -1.26 -1.62 120.40 127.95 2huf s VAL 120 Ca 0.16 0.95 0.10 0.00 0.00 0.00 0.00 61.98 63.19 2huf s VAL 120 Cb -0.20 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2huf s VAL 120 CO 0.09 0.22 -0.26 -0.13 0.00 0.00 0.00 175.10 175.03 2huf s ARG 121 N 1.31 1.58 -0.03 2.72 1.81 0.48 -4.97 118.95 121.85 2huf s ARG 121 Ca 0.25 -1.25 0.02 0.00 -1.72 0.00 0.00 55.73 53.02 2huf s ARG 121 Cb -0.15 -1.95 0.01 0.00 -0.45 0.00 0.00 34.95 32.41 2huf s ARG 121 CO 0.10 0.48 -0.06 0.54 -0.68 0.00 0.00 175.30 175.67 2huf s VAL 122 N -0.98 0.59 -0.16 3.52 0.11 -1.26 -0.21 120.40 122.01 2huf s VAL 122 Ca 0.13 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2huf s VAL 122 Cb -0.10 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2huf s VAL 122 CO 0.05 0.21 -0.15 0.54 -3.33 0.00 0.00 175.10 172.42 2huf s VAL 123 N 0.46 2.66 -0.15 2.04 0.11 -0.33 -4.95 120.40 120.25 2huf s VAL 123 Ca -0.06 -0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 2huf s VAL 123 Cb -0.10 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 2huf s VAL 123 CO 0.00 0.51 0.04 -0.75 -3.33 0.00 0.00 175.10 171.57 2huf s LYS 124 N 0.89 3.61 0.90 1.54 2.20 -1.26 -0.45 119.74 127.17 2huf s LYS 124 Ca -0.04 -0.36 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 2huf s LYS 124 Cb -0.15 -3.05 0.13 0.00 -1.51 0.00 0.00 37.83 33.25 2huf s LYS 124 CO -0.01 0.44 1.09 -1.54 -0.36 0.00 0.00 175.35 174.97 2huf s SER 125 N -0.12 3.35 0.68 1.43 1.04 -0.18 -4.96 113.70 114.95 2huf s SER 125 Ca 0.06 1.66 -0.16 0.00 0.48 0.00 0.00 55.95 57.99 2huf s SER 125 Cb -0.12 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.70 2huf s SER 125 CO 0.01 -2.74 1.17 -0.54 0.98 0.00 0.00 173.24 172.13 2huf s LYS 126 N -4.84 2.49 0.09 4.02 -0.14 -1.26 -4.93 119.74 115.17 2huf s LYS 126 Ca 0.64 1.64 -0.33 0.00 -1.36 0.00 0.00 55.97 56.57 2huf s LYS 126 Cb -0.19 -1.89 -0.12 0.00 -1.68 0.00 0.00 37.83 33.95 2huf s LYS 126 CO 0.58 -1.54 1.76 1.55 -0.76 0.00 0.00 175.35 176.93 2huf n VAL 127 N -2.44 0.27 -1.09 3.17 3.14 -1.26 -1.61 118.33 118.52 2huf n VAL 127 Ca 0.12 -0.05 -0.03 0.00 -2.96 0.00 0.00 64.34 61.42 2huf n VAL 127 Cb 0.51 -1.87 -0.01 0.00 -1.06 0.00 0.00 33.84 31.40 2huf n VAL 127 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2huf n GLY 128 N 3.99 0.52 3.50 7.55 0.00 -1.26 -4.81 105.19 114.67 2huf n GLY 128 Ca 0.19 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2huf n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2huf s GLN 129 N -1.60 1.76 0.74 1.61 -0.21 -0.63 -0.43 119.66 120.90 2huf s GLN 129 Ca 0.00 -1.77 -0.09 0.00 0.02 0.00 0.00 55.36 53.52 2huf s GLN 129 Cb 0.00 -1.79 0.06 0.00 1.00 0.00 0.00 33.01 32.28 2huf s GLN 129 CO 0.00 0.29 1.08 -1.54 -2.12 0.00 0.00 175.29 173.00 2huf s SER 130 N -3.55 4.78 0.15 5.90 1.04 -1.26 -4.56 113.70 116.21 2huf s SER 130 Ca 0.31 0.65 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 2huf s SER 130 Cb -0.04 -1.26 -0.07 0.00 0.10 0.00 0.00 66.02 64.75 2huf s SER 130 CO 0.16 -1.67 0.96 -0.76 0.98 0.00 0.00 173.24 172.91 2huf s LEU 131 N -5.37 4.54 0.69 2.42 1.43 -1.26 -4.56 118.68 116.57 2huf s LEU 131 Ca 0.60 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 55.44 2huf s LEU 131 Cb -0.11 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.52 2huf s LEU 131 CO 0.47 -0.01 1.07 -0.94 0.23 0.00 0.00 176.35 177.17 2huf s SER 132 N -0.35 5.49 0.30 2.29 1.04 -1.26 -4.75 113.70 116.45 2huf s SER 132 Ca 0.45 1.38 -0.01 0.00 0.48 0.00 0.00 55.95 58.25 2huf s SER 132 Cb -0.24 -2.26 0.46 0.00 0.10 0.00 0.00 66.02 64.08 2huf s SER 132 CO 0.31 -1.34 1.95 0.25 0.98 0.00 0.00 173.24 175.38 2huf h LEU 133 N -0.65 0.94 -0.71 2.42 6.46 -1.96 -1.99 115.31 119.82 2huf h LEU 133 Ca -0.45 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.26 2huf h LEU 133 Cb 1.23 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.90 2huf h LEU 133 CO 0.61 0.66 0.31 0.44 -0.62 0.00 0.00 178.44 179.84 2huf h ASP 134 N 1.10 0.95 -0.60 1.25 3.32 -1.99 0.26 116.42 120.71 2huf h ASP 134 Ca 0.33 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 2huf h ASP 134 Cb -0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2huf h ASP 134 CO -0.09 0.84 0.14 -0.33 -1.72 0.00 0.00 179.24 178.09 2huf h GLU 135 N 1.00 1.00 -0.08 3.56 5.08 -1.82 0.00 114.58 123.33 2huf h GLU 135 Ca 0.24 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2huf h GLU 135 Cb 0.16 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2huf h GLU 135 CO -0.03 0.90 -0.02 0.82 -1.00 0.00 0.00 179.01 179.68 2huf h ILE 136 N 0.95 1.29 -0.16 3.13 2.04 -1.04 -2.37 117.51 121.35 2huf h ILE 136 Ca 0.20 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.17 2huf h ILE 136 Cb 0.35 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 2huf h ILE 136 CO 0.00 0.26 -0.07 -0.09 0.00 0.00 0.00 178.15 178.25 2huf h ARG 137 N -0.19 -0.04 -0.61 2.37 2.43 -0.79 -0.61 114.38 116.94 2huf h ARG 137 Ca 0.02 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2huf h ARG 137 Cb 0.42 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 2huf h ARG 137 CO 0.01 -0.03 0.33 -0.44 -1.51 0.00 0.00 179.97 178.33 2huf h ASP 138 N -0.04 0.50 -0.14 -3.80 3.45 -1.00 -1.83 116.42 113.56 2huf h ASP 138 Ca 0.09 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.45 2huf h ASP 138 Cb 0.17 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 2huf h ASP 138 CO -0.19 0.33 -0.35 0.00 -1.57 0.00 0.00 179.24 177.46 2huf h ALA 139 N 1.32 0.85 -0.87 3.45 0.00 -1.08 -2.67 119.26 120.26 2huf h ALA 139 Ca 0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2huf h ALA 139 Cb 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2huf h ALA 139 CO -0.17 0.64 0.51 -0.07 0.00 0.00 0.00 179.25 180.16 2huf h LEU 140 N 0.54 1.05 -0.51 0.00 3.38 -0.64 -1.33 115.31 117.81 2huf h LEU 140 Ca 0.06 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2huf h LEU 140 Cb 0.85 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2huf h LEU 140 CO 0.07 0.82 -0.49 -0.07 0.09 0.00 0.00 178.44 178.86 2huf h LEU 141 N 1.20 0.71 -0.09 1.67 3.38 -1.13 -0.54 115.31 120.51 2huf h LEU 141 Ca 0.31 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2huf h LEU 141 Cb -0.03 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.53 2huf h LEU 141 CO -0.06 1.08 -0.54 0.40 0.09 0.00 0.00 178.44 179.42 2huf h ILE 142 N 0.51 1.37 0.00 1.22 1.08 -1.35 -3.35 117.51 117.00 2huf h ILE 142 Ca 0.02 -1.88 -0.13 0.00 -0.39 0.00 0.00 64.86 62.49 2huf h ILE 142 Cb 1.04 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 37.02 2huf h ILE 142 CO 0.10 0.56 -1.46 1.41 -0.69 0.00 0.00 178.15 178.07 2huf n HIS 143 N -4.21 0.80 -3.94 1.37 8.25 -0.51 -5.00 115.22 111.97 2huf n HIS 143 Ca -0.08 0.26 -0.31 0.00 -0.26 0.00 0.00 57.72 57.32 2huf n HIS 143 Cb 0.62 -0.99 -0.01 0.00 1.12 0.00 0.00 29.99 30.74 2huf n HIS 143 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2huf n LYS 144 N -2.76 -1.91 -1.67 -0.41 5.02 -0.21 -4.94 118.16 111.28 2huf n LYS 144 Ca -0.09 0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 56.22 2huf n LYS 144 Cb 0.77 -3.96 0.05 0.00 -0.02 0.00 0.00 35.03 31.86 2huf n LYS 144 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2huf s PRO 145 N -6.64 2.96 0.19 1.97 0.04 -1.26 -4.92 135.00 127.34 2huf s PRO 145 Ca 0.22 0.81 0.23 0.00 0.04 0.00 0.00 61.00 62.29 2huf s PRO 145 Cb -0.09 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2huf s PRO 145 CO 0.91 -1.04 1.02 -1.13 0.04 0.00 0.00 177.00 176.80 2huf n SER 146 N -3.07 0.80 -3.98 6.66 3.41 -0.10 -4.44 113.62 112.89 2huf n SER 146 Ca 0.07 0.30 -0.19 0.00 -0.26 0.00 0.00 58.87 58.79 2huf n SER 146 Cb 0.54 0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 64.87 2huf n SER 146 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2huf s VAL 147 N -3.37 0.64 -0.10 -3.33 1.01 -1.19 -0.58 120.40 113.48 2huf s VAL 147 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2huf s VAL 147 Cb 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 2huf s VAL 147 CO 0.80 0.20 -0.14 -0.22 0.00 0.00 0.00 175.10 175.74 2huf s LEU 148 N 0.16 2.70 -0.15 3.92 2.96 0.43 -0.99 118.68 127.71 2huf s LEU 148 Ca -0.02 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2huf s LEU 148 Cb -0.07 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.04 2huf s LEU 148 CO 0.00 0.23 -0.18 0.12 -1.32 0.00 0.00 176.35 175.20 2huf s PHE 149 N -0.03 2.74 0.10 5.38 2.19 -0.10 -0.43 117.98 127.82 2huf s PHE 149 Ca -0.03 -1.18 0.07 0.00 0.33 0.00 0.00 56.93 56.12 2huf s PHE 149 Cb -0.14 -1.87 -0.03 0.00 -1.31 0.00 0.00 43.02 39.67 2huf s PHE 149 CO 0.04 -0.54 -0.18 -0.51 1.83 0.00 0.00 175.22 175.86 2huf s LEU 150 N 0.85 2.31 -0.28 6.12 1.43 -0.16 -0.64 118.68 128.31 2huf s LEU 150 Ca -0.05 -0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 52.29 2huf s LEU 150 Cb -0.15 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.34 2huf s LEU 150 CO -0.01 -0.01 0.07 -0.89 0.23 0.00 0.00 176.35 175.73 2huf s THR 151 N -1.37 3.94 0.03 5.49 2.01 -1.26 -1.33 115.64 123.15 2huf s THR 151 Ca 0.05 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.20 2huf s THR 151 Cb -0.09 -2.99 -0.17 0.00 0.01 0.00 0.00 72.50 69.26 2huf s THR 151 CO 0.04 0.15 1.47 -0.61 -0.69 0.00 0.00 174.62 174.98 2huf h GLN 152 N 8.22 0.04 -4.63 4.92 4.15 -1.16 -3.39 115.11 123.26 2huf h GLN 152 Ca -0.33 -0.01 -0.68 0.00 0.77 0.00 0.00 58.65 58.39 2huf h GLN 152 Cb 1.14 -0.00 -0.35 0.00 0.21 0.00 0.00 27.48 28.47 2huf h GLN 152 CO 0.60 0.31 -0.64 0.20 -1.93 0.00 0.00 178.83 177.36 2huf s GLY 153 N -2.79 1.89 -0.44 2.39 0.00 -1.25 -0.11 107.32 107.01 2huf s GLY 153 Ca -0.15 -2.27 -0.25 0.00 0.00 0.00 0.00 44.72 42.05 2huf s GLY 153 CO 0.67 0.89 0.89 -0.35 0.00 0.00 0.00 173.10 175.20 2huf s ASP 154 N 1.42 6.51 0.06 1.64 -1.08 0.01 -4.39 116.67 120.84 2huf s ASP 154 Ca 0.04 0.15 0.25 0.00 -0.52 0.00 0.00 52.55 52.47 2huf s ASP 154 Cb -0.21 -2.43 1.02 0.00 -1.46 0.00 0.00 42.92 39.83 2huf s ASP 154 CO -0.04 -0.97 1.79 -1.54 0.52 0.00 0.00 175.17 174.93 2huf n SER 155 N 6.97 0.19 0.09 -0.34 3.41 -1.26 -0.80 113.62 121.88 2huf n SER 155 Ca 0.05 0.53 -0.11 0.00 -0.26 0.00 0.00 58.87 59.08 2huf n SER 155 Cb 0.48 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 2huf n SER 155 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2huf h SER 156 N 0.00 0.29 0.00 4.04 4.64 -1.90 -3.37 113.55 117.25 2huf h SER 156 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2huf h SER 156 Cb 0.48 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2huf h SER 156 CO 0.00 1.13 -0.75 0.35 -0.87 0.00 0.00 176.83 176.69 2huf n THR 157 N -3.58 0.00 -2.50 2.95 -2.24 -1.13 -4.54 114.28 103.24 2huf n THR 157 Ca -0.05 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2huf n THR 157 Cb 0.90 0.78 0.01 0.00 -2.10 0.00 0.00 70.33 69.92 2huf n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2huf n GLY 158 N 1.44 0.12 3.47 3.38 0.00 0.02 -4.37 105.19 109.26 2huf n GLY 158 Ca 0.01 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2huf n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2huf s VAL 159 N -2.73 3.70 -0.27 1.61 1.01 -1.05 -1.53 120.40 121.14 2huf s VAL 159 Ca 0.10 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2huf s VAL 159 Cb -0.05 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2huf s VAL 159 CO 0.13 0.51 0.30 -0.22 0.00 0.00 0.00 175.10 175.82 2huf s LEU 160 N 0.30 4.04 -0.22 3.92 2.96 0.37 -0.81 118.68 129.25 2huf s LEU 160 Ca -0.05 0.20 -0.19 0.00 -0.22 0.00 0.00 54.13 53.87 2huf s LEU 160 Cb -0.14 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 2huf s LEU 160 CO 0.04 -0.12 0.54 -1.58 -1.32 0.00 0.00 176.35 173.91 2huf s GLN 161 N 1.87 4.16 0.51 1.98 2.00 0.84 -4.71 119.66 126.30 2huf s GLN 161 Ca 0.12 0.43 -0.21 0.00 -2.00 0.00 0.00 55.36 53.71 2huf s GLN 161 Cb -0.16 -3.59 -0.07 0.00 0.80 0.00 0.00 33.01 30.00 2huf s GLN 161 CO 0.10 -0.23 1.14 0.20 -0.50 0.00 0.00 175.29 175.99 2huf s GLY 162 N 1.28 2.69 0.00 2.59 0.00 -1.26 -4.80 107.32 107.81 2huf s GLY 162 Ca 0.24 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.82 2huf s GLY 162 CO 0.09 1.25 0.09 1.04 0.00 0.00 0.00 173.10 175.57 2huf n LEU 163 N -0.98 0.17 -4.72 0.66 4.77 -1.26 -4.99 117.00 110.65 2huf n LEU 163 Ca 0.10 -0.35 -0.42 0.00 -0.03 0.00 0.00 56.01 55.31 2huf n LEU 163 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2huf n LEU 163 CO 0.44 0.04 1.31 -1.61 -1.33 0.00 0.00 177.39 176.24 2huf s GLU 164 N -0.34 4.16 0.00 3.23 2.02 -1.26 -2.07 118.70 124.43 2huf s GLU 164 Ca 0.00 2.51 0.00 0.00 0.02 0.00 0.00 54.97 57.50 2huf s GLU 164 Cb 0.00 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.13 2huf s GLU 164 CO 0.00 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.00 2huf n GLY 165 N 3.78 2.53 0.09 -1.39 0.00 -1.26 -4.91 105.19 104.03 2huf n GLY 165 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 2huf n GLY 165 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2huf h VAL 166 N 0.00 1.42 -0.84 1.61 -1.51 -1.71 -2.00 116.25 113.21 2huf h VAL 166 Ca 0.00 -1.37 0.01 0.00 -1.23 0.00 0.00 66.70 64.11 2huf h VAL 166 Cb 0.00 2.21 -0.04 0.00 -2.13 0.00 0.00 31.29 31.33 2huf h VAL 166 CO 0.00 0.37 0.55 1.23 -1.23 0.00 0.00 177.57 178.50 2huf h GLY 167 N -0.35 1.18 0.69 5.19 0.00 -1.75 -0.42 103.07 107.61 2huf h GLY 167 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 46.94 2huf h GLY 167 CO 0.02 0.44 0.34 0.00 0.00 0.00 0.00 176.54 177.34 2huf h ALA 168 N 1.31 0.84 -0.27 3.60 0.00 -1.77 0.55 119.26 123.51 2huf h ALA 168 Ca 0.31 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2huf h ALA 168 Cb -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2huf h ALA 168 CO -0.07 0.02 -0.08 1.25 0.00 0.00 0.00 179.25 180.37 2huf h LEU 169 N 0.64 0.54 -0.72 0.00 5.85 -0.98 -2.12 115.31 118.52 2huf h LEU 169 Ca 0.28 -0.38 0.13 0.00 0.84 0.00 0.00 57.88 58.75 2huf h LEU 169 Cb 0.17 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 40.97 2huf h LEU 169 CO -0.18 0.79 0.29 0.00 -0.34 0.00 0.00 178.44 179.01 2huf h HIS 171 N 0.46 0.00 0.00 0.00 3.86 -0.45 0.26 115.15 119.28 2huf h HIS 171 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2huf h HIS 171 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2huf h HIS 171 CO -0.16 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.67 2huf n GLN 172 N -2.63 0.16 -1.10 2.45 6.02 -0.69 -3.91 117.38 117.68 2huf n GLN 172 Ca 0.03 0.32 0.05 0.00 -0.01 0.00 0.00 57.00 57.39 2huf n GLN 172 Cb 0.34 -1.77 0.10 0.00 1.02 0.00 0.00 30.24 29.93 2huf n GLN 172 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2huf n HIS 173 N -2.06 0.00 -4.04 1.08 8.25 -0.00 -4.99 115.22 113.46 2huf n HIS 173 Ca 0.03 -0.94 -0.32 0.00 -0.26 0.00 0.00 57.72 56.24 2huf n HIS 173 Cb 0.26 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 2huf n HIS 173 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2huf n ASN 174 N -0.22 -3.28 -4.32 0.41 4.13 -1.10 -4.90 115.26 105.99 2huf n ASN 174 Ca 0.12 -0.91 -0.31 0.00 1.68 0.00 0.00 54.58 55.15 2huf n ASN 174 Cb 0.95 -3.30 -0.16 0.00 -1.54 0.00 0.00 39.78 35.73 2huf n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2huf s LEU 176 N -0.65 4.18 -0.20 0.00 1.43 0.25 -3.97 118.68 119.73 2huf s LEU 176 Ca 0.10 1.06 -0.03 0.00 -1.03 0.00 0.00 54.13 54.23 2huf s LEU 176 Cb -0.10 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 2huf s LEU 176 CO -0.01 -0.06 -0.08 -0.22 0.23 0.00 0.00 176.35 176.21 2huf s LEU 177 N -2.65 2.77 -0.12 1.79 2.96 -1.26 -0.43 118.68 121.74 2huf s LEU 177 Ca 0.47 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2huf s LEU 177 Cb -0.12 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2huf s LEU 177 CO 0.20 0.01 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.53 2huf s ILE 178 N 1.26 3.51 -0.07 6.68 1.01 0.43 -0.69 121.20 133.32 2huf s ILE 178 Ca 0.03 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2huf s ILE 178 Cb -0.14 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.86 2huf s ILE 178 CO -0.03 0.53 -0.10 -0.69 0.00 0.00 0.00 174.94 174.65 2huf s VAL 179 N 0.06 1.01 -0.20 2.92 1.01 -0.11 -0.99 120.40 124.09 2huf s VAL 179 Ca -0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 2huf s VAL 179 Cb -0.14 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2huf s VAL 179 CO 0.03 0.34 0.73 -0.62 0.00 0.00 0.00 175.10 175.58 2huf s ASP 180 N 0.95 6.79 -0.15 3.32 -1.08 -0.44 -2.95 116.67 123.10 2huf s ASP 180 Ca -0.09 0.97 0.16 0.00 -0.52 0.00 0.00 52.55 53.06 2huf s ASP 180 Cb -0.15 -2.40 0.33 0.00 -1.46 0.00 0.00 42.92 39.24 2huf s ASP 180 CO 0.00 -0.37 1.17 0.35 0.52 0.00 0.00 175.17 176.84 2huf n THR 181 N 4.88 1.94 -0.15 1.71 -2.24 -0.12 -0.59 114.28 119.71 2huf n THR 181 Ca 0.02 -2.54 -0.03 0.00 -2.27 0.00 0.00 64.05 59.23 2huf n THR 181 Cb 0.49 -0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.57 2huf n THR 181 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2huf h VAL 182 N 0.57 0.75 0.00 2.28 2.07 -1.87 -1.26 116.25 118.79 2huf h VAL 182 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2huf h VAL 182 Cb 1.02 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2huf h VAL 182 CO 0.00 0.04 -0.84 0.00 0.02 0.00 0.00 177.57 176.79 2huf h ALA 183 N 1.36 0.51 0.00 1.67 0.00 -1.89 -3.35 119.26 117.57 2huf h ALA 183 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.84 2huf h ALA 183 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2huf h ALA 183 CO -0.30 0.00 -2.22 -1.13 0.00 0.00 0.00 179.25 175.60 2huf n SER 184 N -2.36 0.50 -4.73 0.00 3.41 -1.05 -4.72 113.62 104.66 2huf n SER 184 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 2huf n SER 184 Cb 0.49 1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 65.45 2huf n SER 184 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2huf s LEU 185 N -5.26 4.36 0.00 1.04 2.96 -0.50 -0.70 118.68 120.58 2huf s LEU 185 Ca -0.09 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 56.68 2huf s LEU 185 Cb 0.06 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2huf s LEU 185 CO 0.75 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 2huf n GLY 186 N 3.05 2.67 0.09 7.98 0.00 -1.26 -4.57 105.19 113.15 2huf n GLY 186 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2huf n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2huf n GLY 187 N -2.00 -0.71 3.35 -0.02 0.00 0.13 -3.08 105.19 102.85 2huf n GLY 187 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2huf n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2huf s ALA 188 N -0.50 -1.14 0.42 4.61 0.00 -0.86 -4.44 121.76 119.84 2huf s ALA 188 Ca 0.03 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 2huf s ALA 188 Cb 0.02 0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 2huf s ALA 188 CO 0.06 -0.36 1.25 -2.30 0.00 0.00 0.00 175.76 174.41 2huf n PRO 189 N 0.92 1.89 -3.69 0.00 -0.02 -1.26 -4.77 135.00 128.06 2huf n PRO 189 Ca -0.20 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2huf n PRO 189 Cb 0.58 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 2huf n PRO 189 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2huf s MET 190 N -2.18 0.31 -0.39 -0.52 1.75 -1.26 -5.05 119.30 111.97 2huf s MET 190 Ca 0.61 0.78 0.01 0.00 -1.25 0.00 0.00 55.69 55.83 2huf s MET 190 Cb -0.52 0.02 0.13 0.00 2.84 0.00 0.00 34.83 37.30 2huf s MET 190 CO 0.58 -0.19 0.20 -0.06 -0.65 0.00 0.00 175.02 174.90 2huf s PHE 191 N 1.72 1.66 0.13 4.11 0.40 -1.26 -4.58 117.98 120.16 2huf s PHE 191 Ca -0.07 -2.09 -0.18 0.00 -0.60 0.00 0.00 56.93 53.99 2huf s PHE 191 Cb -0.10 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 2huf s PHE 191 CO -0.11 -0.82 1.79 1.98 0.70 0.00 0.00 175.22 178.76 2huf h MET 192 N 7.15 0.35 -0.02 0.44 4.05 -1.13 -0.52 114.93 125.23 2huf h MET 192 Ca -0.03 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.24 2huf h MET 192 Cb 0.96 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.69 2huf h MET 192 CO 0.44 0.23 -0.50 -0.44 0.23 0.00 0.00 176.91 176.86 2huf h ASP 193 N 0.36 0.48 -0.50 1.39 5.19 -1.77 -1.73 116.42 119.84 2huf h ASP 193 Ca 0.10 -0.74 -0.01 0.00 -0.62 0.00 0.00 57.03 55.77 2huf h ASP 193 Cb -0.03 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.31 2huf h ASP 193 CO -0.03 1.15 0.29 -0.09 -3.12 0.00 0.00 179.24 177.44 2huf h ARG 194 N -0.15 0.70 -0.27 3.56 2.43 -1.79 -1.36 114.38 117.50 2huf h ARG 194 Ca -0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2huf h ARG 194 Cb 1.21 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2huf h ARG 194 CO 0.10 0.50 0.00 0.91 -1.51 0.00 0.00 179.97 179.97 2huf n TRP 195 N -4.42 0.36 -3.79 2.20 8.01 -0.21 -4.95 117.44 114.64 2huf n TRP 195 Ca 0.04 -0.18 -0.27 0.00 -1.31 0.00 0.00 57.50 55.79 2huf n TRP 195 Cb 0.09 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.43 2huf n TRP 195 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2huf n GLU 196 N 0.36 -5.86 -3.00 -0.99 1.02 -0.51 -3.64 120.64 108.02 2huf n GLU 196 Ca 0.12 0.65 -0.40 0.00 -0.02 0.00 0.00 57.16 57.51 2huf n GLU 196 Cb 0.27 -5.50 -0.05 0.00 -0.02 0.00 0.00 31.44 26.14 2huf n GLU 196 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2huf s ILE 197 N -3.39 4.62 -0.13 -3.67 1.01 -0.67 -4.44 121.20 114.53 2huf s ILE 197 Ca 0.47 1.62 0.18 0.00 0.00 0.00 0.00 60.65 62.93 2huf s ILE 197 Cb -0.23 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 37.90 2huf s ILE 197 CO 0.81 0.42 0.47 0.47 0.00 0.00 0.00 174.94 177.11 2huf n ASP 198 N 2.37 0.35 -3.72 3.58 8.00 0.13 -4.64 116.55 122.63 2huf n ASP 198 Ca -0.04 0.16 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 2huf n ASP 198 Cb 0.50 0.88 -0.10 0.00 -0.02 0.00 0.00 41.12 42.38 2huf n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2huf s ALA 199 N -2.90 -1.01 -0.06 2.24 0.00 -0.92 0.02 121.76 119.13 2huf s ALA 199 Ca -0.07 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 2huf s ALA 199 Cb 0.09 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.50 2huf s ALA 199 CO 0.84 -0.21 0.41 1.41 0.00 0.00 0.00 175.76 178.21 2huf s MET 200 N 0.61 0.70 0.07 0.00 1.75 -0.52 -0.93 119.30 120.98 2huf s MET 200 Ca -0.03 0.10 -0.05 0.00 -1.25 0.00 0.00 55.69 54.46 2huf s MET 200 Cb -0.05 0.32 -0.02 0.00 2.84 0.00 0.00 34.83 37.93 2huf s MET 200 CO -0.04 -0.18 0.09 1.52 -0.65 0.00 0.00 175.02 175.76 2huf s TYR 201 N -0.90 0.32 0.38 4.11 1.13 -1.15 -0.70 117.35 120.53 2huf s TYR 201 Ca -0.10 -0.79 0.06 0.00 -1.41 0.00 0.00 57.07 54.83 2huf s TYR 201 Cb -0.04 -0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.59 2huf s TYR 201 CO 0.04 -0.46 0.21 0.99 -2.51 0.00 0.00 175.55 173.83 2huf s THR 202 N -3.78 0.26 0.27 -3.49 2.01 -0.73 -0.95 115.64 109.23 2huf s THR 202 Ca 0.05 -2.00 0.09 0.00 0.31 0.00 0.00 61.69 60.13 2huf s THR 202 Cb 0.06 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2huf s THR 202 CO -0.10 0.00 0.09 -0.83 -0.69 0.00 0.00 174.62 173.09 2huf s GLY 203 N -3.50 1.60 0.12 4.40 0.00 -1.26 -3.79 107.32 104.89 2huf s GLY 203 Ca 0.32 -1.59 0.13 0.00 0.00 0.00 0.00 44.72 43.58 2huf s GLY 203 CO 0.21 -1.63 1.09 1.48 0.00 0.00 0.00 173.10 174.25 2huf h SER 204 N 1.70 0.00 -0.91 1.64 4.64 -1.83 -3.44 113.55 115.35 2huf h SER 204 Ca -0.46 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.29 2huf h SER 204 Cb 1.25 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.07 2huf h SER 204 CO 0.61 0.72 0.74 0.00 -0.87 0.00 0.00 176.83 178.03 2huf n GLN 205 N -3.12 2.41 -0.41 4.77 0.00 -1.24 -0.84 117.38 118.95 2huf n GLN 205 Ca -0.05 -2.91 0.32 0.00 0.00 0.00 0.00 57.00 54.36 2huf n GLN 205 Cb 0.87 -2.14 0.51 0.00 0.00 0.00 0.00 30.24 29.48 2huf n GLN 205 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2huf n VAL 207 N -0.79 -0.08 0.00 -0.39 0.31 -1.26 -0.88 118.33 115.24 2huf n VAL 207 Ca 0.56 1.12 -0.05 0.00 -0.01 0.00 0.00 64.34 65.97 2huf n VAL 207 Cb 0.93 -1.85 0.17 0.00 -0.91 0.00 0.00 33.84 32.18 2huf n VAL 207 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2huf h LEU 208 N 0.00 0.53 0.53 7.52 4.07 -1.84 -3.22 115.31 122.89 2huf h LEU 208 Ca 0.62 -0.20 -0.22 0.00 0.08 0.00 0.00 57.88 58.17 2huf h LEU 208 Cb 2.27 -0.14 -0.09 0.00 1.08 0.00 0.00 40.66 43.78 2huf h LEU 208 CO -0.16 0.80 -0.20 0.61 -1.08 0.00 0.00 178.44 178.41 2huf n GLY 209 N -0.26 1.19 3.85 0.83 0.00 -1.15 -4.82 105.19 104.83 2huf n GLY 209 Ca -0.01 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 2huf n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2huf s ALA 210 N -2.40 2.34 0.62 4.61 0.00 -0.02 -4.11 121.76 122.80 2huf s ALA 210 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 2huf s ALA 210 Cb 0.00 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 2huf s ALA 210 CO 0.00 -1.84 1.30 -1.25 0.00 0.00 0.00 175.76 173.98 2huf s PRO 211 N -5.42 2.71 0.89 0.00 0.04 -1.26 -3.72 135.00 128.23 2huf s PRO 211 Ca 0.62 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.64 2huf s PRO 211 Cb -0.13 -1.94 0.12 0.00 0.04 0.00 0.00 34.50 32.60 2huf s PRO 211 CO 0.51 -1.48 1.13 -2.30 0.04 0.00 0.00 177.00 174.90 2huf n PRO 212 N -1.69 -0.26 0.00 0.56 -0.02 -1.26 -4.25 135.00 128.07 2huf n PRO 212 Ca 0.15 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2huf n PRO 212 Cb 0.48 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2huf n PRO 212 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2huf n GLY 213 N 0.42 1.04 2.81 -1.23 0.00 -1.26 -5.00 105.19 101.96 2huf n GLY 213 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2huf n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2huf s ILE 214 N -2.00 -0.05 -0.14 -0.61 1.09 -1.12 -2.67 121.20 115.69 2huf s ILE 214 Ca 0.00 0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.73 2huf s ILE 214 Cb 0.00 -0.10 0.04 0.00 -1.06 0.00 0.00 42.46 41.34 2huf s ILE 214 CO 0.00 0.08 -0.04 0.28 -0.10 0.00 0.00 174.94 175.16 2huf s THR 215 N 0.99 0.88 0.34 2.92 -1.32 -0.19 -3.70 115.64 115.55 2huf s THR 215 Ca -0.08 -0.40 -0.29 0.00 -1.21 0.00 0.00 61.69 59.71 2huf s THR 215 Cb -0.11 -1.06 -0.11 0.00 -1.51 0.00 0.00 72.50 69.71 2huf s THR 215 CO -0.03 0.17 1.50 -2.84 -2.21 0.00 0.00 174.62 171.21 2huf s PRO 216 N 1.74 4.14 0.01 7.08 0.02 -1.25 -0.21 135.00 146.53 2huf s PRO 216 Ca 0.02 2.53 -0.07 0.00 0.02 0.00 0.00 61.00 63.50 2huf s PRO 216 Cb -0.14 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.37 2huf s PRO 216 CO -0.07 -0.53 0.13 0.08 -0.33 0.00 0.00 177.00 176.28 2huf s VAL 217 N -0.71 0.09 -0.04 3.83 1.01 0.21 -1.78 120.40 123.02 2huf s VAL 217 Ca 0.56 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 2huf s VAL 217 Cb -0.46 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.44 2huf s VAL 217 CO 0.56 -0.41 0.13 -0.55 0.00 0.00 0.00 175.10 174.83 2huf s SER 218 N -1.49 -0.09 -0.03 3.32 0.15 0.12 -1.42 113.70 114.27 2huf s SER 218 Ca -0.14 0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.70 2huf s SER 218 Cb -0.07 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2huf s SER 218 CO 0.01 -0.13 -0.18 -0.36 1.20 0.00 0.00 173.24 173.78 2huf s PHE 219 N -0.30 1.73 0.82 3.44 0.08 0.10 -1.44 117.98 122.40 2huf s PHE 219 Ca -0.04 -0.42 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 2huf s PHE 219 Cb -0.03 -1.14 0.08 0.00 -0.57 0.00 0.00 43.02 41.37 2huf s PHE 219 CO 0.00 -0.10 1.14 -1.54 -0.10 0.00 0.00 175.22 174.63 2huf s SER 220 N -0.21 4.42 0.27 1.36 1.04 0.10 -4.20 113.70 116.48 2huf s SER 220 Ca 0.02 0.96 -0.00 0.00 0.48 0.00 0.00 55.95 57.40 2huf s SER 220 Cb -0.09 -1.56 0.51 0.00 0.10 0.00 0.00 66.02 64.97 2huf s SER 220 CO 0.01 -1.98 1.82 -0.74 0.98 0.00 0.00 173.24 173.33 2huf h HIS 221 N -1.10 1.03 -0.95 5.02 2.76 -1.96 -0.62 115.15 119.34 2huf h HIS 221 Ca -0.47 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2huf h HIS 221 Cb 1.31 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 29.90 2huf h HIS 221 CO 0.36 0.40 0.58 0.00 -1.30 0.00 0.00 177.93 177.97 2huf h ARG 222 N 0.91 1.28 -0.40 5.26 3.08 -1.93 0.48 114.38 123.06 2huf h ARG 222 Ca 0.47 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 60.27 2huf h ARG 222 Cb 0.47 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2huf h ARG 222 CO -0.27 0.89 -0.29 0.00 -1.07 0.00 0.00 179.97 179.22 2huf h ALA 223 N 1.33 0.72 -0.66 0.04 0.00 -1.61 -1.33 119.26 117.76 2huf h ALA 223 Ca 0.34 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2huf h ALA 223 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2huf h ALA 223 CO -0.07 0.66 0.11 0.28 0.00 0.00 0.00 179.25 180.24 2huf h VAL 224 N 0.74 1.26 -0.75 0.00 2.07 -0.68 -1.43 116.25 117.45 2huf h VAL 224 Ca 0.08 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.59 2huf h VAL 224 Cb 0.85 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2huf h VAL 224 CO 0.07 0.38 0.50 -0.33 0.02 0.00 0.00 177.57 178.21 2huf h GLU 225 N 1.02 0.98 -0.46 1.57 4.39 -0.69 -0.35 114.58 121.04 2huf h GLU 225 Ca 0.20 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.85 2huf h GLU 225 Cb 0.43 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2huf h GLU 225 CO 0.01 0.65 0.30 -0.09 -1.16 0.00 0.00 179.01 178.71 2huf h ARG 226 N 1.01 0.58 -0.56 2.33 1.12 -0.81 -1.58 114.38 116.47 2huf h ARG 226 Ca 0.28 -0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.17 2huf h ARG 226 Cb -0.10 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 29.68 2huf h ARG 226 CO -0.07 0.39 0.28 -0.92 -3.11 0.00 0.00 179.97 176.54 2huf h TYR 227 N 0.60 0.51 0.00 2.20 5.03 -0.80 -2.16 116.97 122.35 2huf h TYR 227 Ca 0.17 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 2huf h TYR 227 Cb -0.05 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.08 2huf h TYR 227 CO -0.05 0.24 -0.10 0.87 -1.32 0.00 0.00 178.16 177.79 2huf h LYS 228 N 0.53 0.00 -0.12 1.82 1.57 -0.32 -2.46 116.57 117.60 2huf h LYS 228 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2huf h LYS 228 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2huf h LYS 228 CO -0.18 0.10 0.00 2.89 -0.57 0.00 0.00 179.45 181.69 2huf n ARG 229 N -3.67 1.81 -1.74 3.15 1.85 -0.67 -4.92 116.66 112.48 2huf n ARG 229 Ca -0.02 -1.21 -0.40 0.00 -1.00 0.00 0.00 57.85 55.23 2huf n ARG 229 Cb 0.22 -1.44 0.03 0.00 -1.05 0.00 0.00 32.46 30.21 2huf n ARG 229 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2huf n ARG 230 N 0.44 2.00 0.06 2.89 1.74 -0.93 -4.94 116.66 117.91 2huf n ARG 230 Ca 0.17 0.72 0.11 0.00 -0.77 0.00 0.00 57.85 58.09 2huf n ARG 230 Cb 0.38 -2.57 0.02 0.00 -1.02 0.00 0.00 32.46 29.27 2huf n ARG 230 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2huf n ASN 231 N -0.41 0.65 -4.18 0.55 5.03 -1.26 -4.95 115.26 110.68 2huf n ASN 231 Ca 0.07 0.07 -0.13 0.00 0.87 0.00 0.00 54.58 55.46 2huf n ASN 231 Cb 0.42 0.69 -0.11 0.00 -1.02 0.00 0.00 39.78 39.77 2huf n ASN 231 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2huf s THR 232 N -3.29 0.90 0.64 3.41 -4.23 -1.26 -5.14 115.64 106.67 2huf s THR 232 Ca 0.01 -1.74 -0.18 0.00 -1.18 0.00 0.00 61.69 58.60 2huf s THR 232 Cb 0.12 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.48 2huf s THR 232 CO 0.80 -0.65 1.24 -0.54 -0.54 0.00 0.00 174.62 174.93 2huf s LYS 233 N -3.11 2.68 0.62 3.99 -0.14 -1.26 -4.96 119.74 117.56 2huf s LYS 233 Ca 0.08 1.90 -0.19 0.00 -1.36 0.00 0.00 55.97 56.40 2huf s LYS 233 Cb -0.01 -1.88 -0.02 0.00 -1.68 0.00 0.00 37.83 34.24 2huf s LYS 233 CO -0.01 -1.45 1.25 0.14 -0.76 0.00 0.00 175.35 174.52 2huf s VAL 234 N -1.59 2.32 0.25 3.17 -7.23 -1.26 -4.89 120.40 111.17 2huf s VAL 234 Ca 0.79 0.20 0.27 0.00 -1.81 0.00 0.00 61.98 61.43 2huf s VAL 234 Cb -0.33 -3.08 0.28 0.00 0.56 0.00 0.00 36.38 33.81 2huf s VAL 234 CO 0.38 -0.04 1.95 0.11 -0.31 0.00 0.00 175.10 177.18 2huf h LYS 235 N 0.75 0.00 -4.43 4.82 1.57 -1.93 -3.40 116.57 113.95 2huf h LYS 235 Ca -0.51 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.66 2huf h LYS 235 Cb 1.32 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.25 2huf h LYS 235 CO 0.54 0.16 -0.80 0.54 -0.57 0.00 0.00 179.45 179.32 2huf s VAL 236 N -3.86 1.55 0.27 0.50 0.11 -1.26 -4.99 120.40 112.72 2huf s VAL 236 Ca -0.01 -1.10 -0.01 0.00 -2.93 0.00 0.00 61.98 57.94 2huf s VAL 236 Cb 0.11 -1.73 0.25 0.00 -1.53 0.00 0.00 36.38 33.48 2huf s VAL 236 CO 0.60 0.02 1.71 0.22 -3.33 0.00 0.00 175.10 174.32 2huf h TYR 237 N 7.97 0.55 -0.18 1.54 3.20 -1.99 -0.83 116.97 127.24 2huf h TYR 237 Ca -0.22 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.74 2huf h TYR 237 Cb 1.08 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2huf h TYR 237 CO 0.50 0.01 0.15 -0.92 -1.64 0.00 0.00 178.16 176.26 2huf h TYR 238 N 0.42 0.00 -0.13 -3.82 3.20 -1.97 -2.23 116.97 112.44 2huf h TYR 238 Ca 0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.35 2huf h TYR 238 Cb 0.81 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.08 2huf h TYR 238 CO -0.16 0.00 0.00 0.91 -1.64 0.00 0.00 178.16 177.27 2huf n TRP 239 N -4.20 0.16 -1.92 -3.82 5.03 -0.35 -4.93 117.44 107.40 2huf n TRP 239 Ca 0.01 -0.12 -0.42 0.00 3.03 0.00 0.00 57.50 60.00 2huf n TRP 239 Cb 0.28 -0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.53 2huf n TRP 239 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 2huf s ASP 240 N -1.23 6.37 0.34 -0.99 -1.08 -0.84 -4.86 116.67 114.38 2huf s ASP 240 Ca 0.22 2.08 0.01 0.00 -0.52 0.00 0.00 52.55 54.34 2huf s ASP 240 Cb 0.14 -2.53 0.60 0.00 -1.46 0.00 0.00 42.92 39.67 2huf s ASP 240 CO 0.20 -1.19 2.00 -0.03 0.52 0.00 0.00 175.17 176.67 2huf h MET 241 N 10.84 0.88 -0.38 4.34 1.85 -1.92 -0.76 114.93 129.79 2huf h MET 241 Ca -0.40 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 58.58 2huf h MET 241 Cb 1.19 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 33.01 2huf h MET 241 CO 0.97 0.58 0.03 1.03 -0.40 0.00 0.00 176.91 179.12 2huf h SER 242 N 0.91 0.64 -0.05 1.39 0.87 -1.97 0.44 113.55 115.76 2huf h SER 242 Ca 0.25 -0.29 -0.14 0.00 -1.23 0.00 0.00 61.79 60.38 2huf h SER 242 Cb -0.09 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2huf h SER 242 CO -0.06 0.77 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.43 2huf h LEU 243 N 0.49 0.54 -0.52 2.23 3.38 -1.77 -0.20 115.31 119.46 2huf h LEU 243 Ca 0.11 -0.69 -0.17 0.00 0.09 0.00 0.00 57.88 57.22 2huf h LEU 243 Cb 0.43 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2huf h LEU 243 CO 0.01 1.15 -0.68 1.62 0.09 0.00 0.00 178.44 180.64 2huf h VAL 244 N -0.02 1.40 -0.75 1.22 3.04 -1.23 -1.89 116.25 118.02 2huf h VAL 244 Ca -0.05 -2.13 0.09 0.00 -1.01 0.00 0.00 66.70 63.61 2huf h VAL 244 Cb 1.18 2.10 -0.07 0.00 -2.01 0.00 0.00 31.29 32.50 2huf h VAL 244 CO 0.10 0.63 0.40 1.23 -1.01 0.00 0.00 177.57 178.92 2huf h GLY 245 N 1.48 1.15 0.96 3.17 0.00 -0.92 0.11 103.07 109.01 2huf h GLY 245 Ca -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 2huf h GLY 245 CO 0.11 0.08 0.17 -0.55 0.00 0.00 0.00 176.54 176.35 2huf h ASP 246 N 0.67 0.64 -0.88 0.19 3.32 -0.82 -0.60 116.42 118.93 2huf h ASP 246 Ca 0.37 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.27 2huf h ASP 246 Cb 0.37 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2huf h ASP 246 CO -0.26 0.64 0.58 0.22 -1.72 0.00 0.00 179.24 178.70 2huf h TYR 247 N 0.60 1.08 -0.28 4.55 3.20 -0.73 -1.94 116.97 123.44 2huf h TYR 247 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2huf h TYR 247 Cb 0.21 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2huf h TYR 247 CO 0.01 0.64 0.00 0.91 -1.64 0.00 0.00 178.16 178.08 2huf n TRP 248 N -4.43 0.44 -2.74 -3.82 7.02 0.34 -4.86 117.44 109.39 2huf n TRP 248 Ca 0.11 -0.20 -0.12 0.00 -1.02 0.00 0.00 57.50 56.27 2huf n TRP 248 Cb 0.08 -0.04 0.02 0.00 -2.42 0.00 0.00 31.31 28.96 2huf n TRP 248 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2huf n GLY 249 N 0.86 0.06 0.09 6.99 0.00 -0.67 -4.91 105.19 107.60 2huf n GLY 249 Ca 0.10 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2huf n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2huf n PHE 251 N -2.92 0.00 0.18 0.00 3.72 -1.26 -4.68 117.46 112.50 2huf n PHE 251 Ca -0.20 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.28 2huf n PHE 251 Cb 1.03 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.96 2huf n PHE 251 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2huf n GLY 252 N 5.00 -0.83 3.79 1.37 0.00 -1.26 -4.97 105.19 108.29 2huf n GLY 252 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 2huf n GLY 252 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2huf s ARG 253 N -3.32 2.48 0.62 1.61 0.52 -1.26 -5.07 118.95 114.53 2huf s ARG 253 Ca -0.00 -1.51 -0.19 0.00 -0.52 0.00 0.00 55.73 53.51 2huf s ARG 253 Cb 0.05 -2.27 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 2huf s ARG 253 CO 0.18 0.02 1.29 -2.14 0.02 0.00 0.00 175.30 174.67 2huf s PRO 254 N -3.95 2.72 -0.09 3.54 0.02 -1.26 -4.94 135.00 131.04 2huf s PRO 254 Ca 0.41 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 2huf s PRO 254 Cb -0.03 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 2huf s PRO 254 CO 0.25 -1.47 1.17 1.03 -0.33 0.00 0.00 177.00 177.65 2huf s ARG 255 N -3.29 4.34 0.42 5.54 1.81 -1.26 -4.80 118.95 121.70 2huf s ARG 255 Ca 0.80 1.61 0.03 0.00 -1.72 0.00 0.00 55.73 56.45 2huf s ARG 255 Cb -0.37 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 30.51 2huf s ARG 255 CO 0.40 -0.48 0.08 0.96 -0.68 0.00 0.00 175.30 175.58 2huf s ILE 256 N 2.47 0.88 -0.03 1.52 -4.36 -1.26 -5.04 121.20 115.37 2huf s ILE 256 Ca 0.54 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 2huf s ILE 256 Cb -0.22 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 2huf s ILE 256 CO 0.19 0.00 1.28 -0.47 0.24 0.00 0.00 174.94 176.18 2huf s TYR 257 N -3.12 3.06 0.00 1.37 5.04 -1.26 -4.66 117.35 117.79 2huf s TYR 257 Ca 0.22 1.06 -0.03 0.00 -2.44 0.00 0.00 57.07 55.88 2huf s TYR 257 Cb 0.04 -3.52 -0.02 0.00 0.35 0.00 0.00 41.96 38.81 2huf s TYR 257 CO 0.12 -1.76 -0.06 1.58 -1.34 0.00 0.00 175.55 174.09 2huf n HIS 258 N 5.25 0.00 -3.79 4.97 -0.00 -1.26 -5.08 115.22 115.31 2huf n HIS 258 Ca 0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.75 2huf n HIS 258 Cb 0.45 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.99 30.28 2huf n HIS 258 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2huf s HIS 259 N -2.12 -0.17 -0.58 1.57 -3.43 -1.26 -5.06 115.29 104.24 2huf s HIS 259 Ca -0.06 -0.22 -0.26 0.00 -0.80 0.00 0.00 55.06 53.72 2huf s HIS 259 Cb 0.02 0.57 0.04 0.00 -1.43 0.00 0.00 32.58 31.77 2huf s HIS 259 CO 0.08 -1.09 1.07 0.99 -2.00 0.00 0.00 174.74 173.79 2huf s THR 260 N -3.90 4.19 0.64 -5.38 2.01 -1.26 -5.00 115.64 106.94 2huf s THR 260 Ca 0.10 0.54 -0.17 0.00 0.31 0.00 0.00 61.69 62.47 2huf s THR 260 Cb -0.04 -4.65 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 2huf s THR 260 CO 0.02 -1.27 1.17 0.27 -0.69 0.00 0.00 174.62 174.13 2huf s ILE 261 N 4.49 2.76 -0.69 1.82 -5.25 -1.26 -4.93 121.20 118.14 2huf s ILE 261 Ca 0.36 0.41 -0.25 0.00 -0.99 0.00 0.00 60.65 60.18 2huf s ILE 261 Cb -0.10 -3.04 0.05 0.00 2.95 0.00 0.00 42.46 42.32 2huf s ILE 261 CO 0.21 -0.16 1.10 -0.55 -1.79 0.00 0.00 174.94 173.76 2huf s SER 262 N -1.98 6.18 0.38 4.36 0.15 -1.26 -4.79 113.70 116.73 2huf s SER 262 Ca 0.73 -0.71 0.05 0.00 0.70 0.00 0.00 55.95 56.72 2huf s SER 262 Cb -0.27 -2.48 0.75 0.00 -1.71 0.00 0.00 66.02 62.31 2huf s SER 262 CO 0.38 -1.60 2.01 0.77 1.20 0.00 0.00 173.24 176.00 2huf h SER 263 N 9.75 0.61 -0.30 5.45 4.64 -1.92 -1.11 113.55 130.68 2huf h SER 263 Ca -0.28 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2huf h SER 263 Cb 1.06 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.93 2huf h SER 263 CO 1.22 0.43 -0.19 0.74 -0.87 0.00 0.00 176.83 178.16 2huf h THR 264 N 0.72 0.47 -0.21 2.95 2.02 -1.92 0.04 112.91 116.99 2huf h THR 264 Ca 0.23 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.31 2huf h THR 264 Cb 0.04 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2huf h THR 264 CO -0.06 0.00 -0.30 -0.07 0.37 0.00 0.00 175.52 175.46 2huf h LEU 265 N -0.15 0.43 -0.53 2.58 3.38 -1.76 -2.22 115.31 117.03 2huf h LEU 265 Ca 0.16 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2huf h LEU 265 Cb 0.39 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2huf h LEU 265 CO -0.39 0.71 0.26 -0.07 0.09 0.00 0.00 178.44 179.05 2huf h LEU 266 N 0.37 0.37 -0.24 1.67 3.38 -0.48 -0.48 115.31 119.89 2huf h LEU 266 Ca 0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2huf h LEU 266 Cb 0.72 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2huf h LEU 266 CO 0.05 0.25 0.14 1.88 0.09 0.00 0.00 178.44 180.85 2huf h TYR 267 N 0.51 0.31 -0.25 1.13 0.05 -0.59 0.13 116.97 118.26 2huf h TYR 267 Ca 0.24 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 2huf h TYR 267 Cb 0.17 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2huf h TYR 267 CO -0.11 0.25 0.02 0.78 -1.05 0.00 0.00 178.16 178.05 2huf h GLY 268 N 0.29 0.46 0.98 3.88 0.00 -1.28 -1.95 103.07 105.45 2huf h GLY 268 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2huf h GLY 268 CO -0.02 0.30 0.28 -2.00 0.00 0.00 0.00 176.54 175.10 2huf h LEU 269 N 0.22 0.69 -0.34 3.11 5.85 -0.98 -0.15 115.31 123.70 2huf h LEU 269 Ca 0.07 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2huf h LEU 269 Cb 0.37 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2huf h LEU 269 CO 0.01 0.61 0.23 -0.09 -0.34 0.00 0.00 178.44 178.85 2huf h ARG 270 N 0.72 0.46 -0.61 1.25 1.12 -0.65 0.83 114.38 117.50 2huf h ARG 270 Ca 0.19 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 58.95 2huf h ARG 270 Cb 0.08 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.92 2huf h ARG 270 CO -0.03 0.30 0.08 0.93 -3.11 0.00 0.00 179.97 178.15 2huf h GLU 271 N 0.47 1.03 -0.41 0.20 4.39 -1.17 -0.37 114.58 118.70 2huf h GLU 271 Ca 0.13 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 2huf h GLU 271 Cb -0.05 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2huf h GLU 271 CO -0.03 0.97 0.21 0.00 -1.16 0.00 0.00 179.01 179.00 2huf h ALA 272 N 1.01 0.53 -0.45 3.43 0.00 -0.60 -1.40 119.26 121.78 2huf h ALA 272 Ca 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2huf h ALA 272 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2huf h ALA 272 CO 0.02 0.08 0.18 0.82 0.00 0.00 0.00 179.25 180.34 2huf h ILE 273 N 0.53 1.20 -0.62 0.00 2.04 -0.73 -1.61 117.51 118.33 2huf h ILE 273 Ca 0.14 -0.63 0.10 0.00 1.00 0.00 0.00 64.86 65.47 2huf h ILE 273 Cb 0.09 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 2huf h ILE 273 CO -0.02 0.23 0.23 0.00 0.00 0.00 0.00 178.15 178.60 2huf h ALA 274 N 1.03 0.80 -0.55 1.87 0.00 -0.79 0.82 119.26 122.44 2huf h ALA 274 Ca 0.15 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2huf h ALA 274 Cb 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2huf h ALA 274 CO -0.01 -0.19 0.21 0.52 0.00 0.00 0.00 179.25 179.77 2huf h MET 275 N 0.41 0.83 -0.33 0.00 2.86 -1.01 -1.39 114.93 116.29 2huf h MET 275 Ca 0.31 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2huf h MET 275 Cb 0.39 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2huf h MET 275 CO -0.31 0.73 0.13 0.00 1.06 0.00 0.00 176.91 178.51 2huf h ALA 276 N 1.06 0.43 -0.53 6.32 0.00 -0.66 -1.63 119.26 124.25 2huf h ALA 276 Ca 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2huf h ALA 276 Cb 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2huf h ALA 276 CO -0.01 0.04 0.18 0.00 0.00 0.00 0.00 179.25 179.45 2huf h GLU 278 N 0.76 0.98 -0.66 0.00 4.57 -1.05 -2.63 114.58 116.55 2huf h GLU 278 Ca 0.18 -0.46 -0.07 0.00 -1.18 0.00 0.00 59.36 57.83 2huf h GLU 278 Cb 0.21 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2huf h GLU 278 CO -0.01 1.13 0.14 1.49 -1.18 0.00 0.00 179.01 180.58 2huf h GLU 279 N 0.82 1.06 0.00 1.92 4.81 -1.03 -3.50 114.58 118.66 2huf h GLU 279 Ca 0.09 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2huf h GLU 279 Cb 0.88 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2huf h GLU 279 CO 0.08 0.95 0.00 0.41 -0.73 0.00 0.00 179.01 179.72 2huf n GLY 280 N -0.69 -1.01 0.16 1.92 0.00 -0.11 -4.48 105.19 100.98 2huf n GLY 280 Ca 0.05 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.65 2huf n GLY 280 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2huf h LEU 281 N 0.00 -0.11 -0.45 0.99 3.38 -1.86 -0.36 115.31 116.90 2huf h LEU 281 Ca 0.00 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2huf h LEU 281 Cb 0.00 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2huf h LEU 281 CO 0.00 -0.02 0.09 -0.65 0.09 0.00 0.00 178.44 177.95 2huf h PRO 282 N 0.12 0.22 -0.27 1.13 0.11 -1.98 0.12 132.00 131.44 2huf h PRO 282 Ca 0.18 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.18 2huf h PRO 282 Cb 0.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2huf h PRO 282 CO -0.28 0.14 -0.17 0.00 -0.21 0.00 0.00 178.00 177.48 2huf h ALA 283 N 1.34 0.38 0.15 -0.75 0.00 -1.74 -1.69 119.26 116.96 2huf h ALA 283 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2huf h ALA 283 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2huf h ALA 283 CO -0.29 0.30 -0.15 1.25 0.00 0.00 0.00 179.25 180.36 2huf h LEU 284 N 0.32 -0.41 -0.70 0.00 5.85 -0.65 -0.28 115.31 119.45 2huf h LEU 284 Ca 0.05 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 2huf h LEU 284 Cb 0.71 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2huf h LEU 284 CO 0.05 -0.23 -0.33 -0.29 -0.34 0.00 0.00 178.44 177.30 2huf h ILE 285 N -0.33 1.28 -0.92 4.05 -0.00 -0.71 -2.71 117.51 118.17 2huf h ILE 285 Ca 0.00 -1.45 -0.00 0.00 -0.00 0.00 0.00 64.86 63.41 2huf h ILE 285 Cb 0.32 1.41 -0.04 0.00 -0.00 0.00 0.00 36.82 38.50 2huf h ILE 285 CO -0.04 0.47 0.56 0.00 -0.00 0.00 0.00 178.15 179.13 2huf h ALA 286 N 1.10 1.18 -0.36 0.18 0.00 -1.14 -1.33 119.26 118.89 2huf h ALA 286 Ca 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2huf h ALA 286 Cb 0.82 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2huf h ALA 286 CO 0.07 0.63 0.23 -0.09 0.00 0.00 0.00 179.25 180.09 2huf h ARG 287 N 1.27 0.46 -0.27 0.00 2.43 -0.82 0.17 114.38 117.61 2huf h ARG 287 Ca 0.33 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.43 2huf h ARG 287 Cb -0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2huf h ARG 287 CO -0.06 0.30 -0.01 0.45 -1.51 0.00 0.00 179.97 179.14 2huf h HIS 288 N 0.47 0.54 -0.80 2.20 3.86 -1.24 -0.77 115.15 119.42 2huf h HIS 288 Ca 0.13 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2huf h HIS 288 Cb -0.04 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.25 2huf h HIS 288 CO -0.06 0.65 0.52 0.93 0.86 0.00 0.00 177.93 180.83 2huf h GLU 289 N 0.27 1.00 -0.24 2.45 5.08 -1.11 -1.08 114.58 120.96 2huf h GLU 289 Ca 0.08 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2huf h GLU 289 Cb 0.45 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2huf h GLU 289 CO 0.02 0.66 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.74 2huf h ASP 290 N 1.03 0.73 -0.65 1.42 3.32 -0.47 -1.59 116.42 120.22 2huf h ASP 290 Ca 0.31 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2huf h ASP 290 Cb -0.05 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2huf h ASP 290 CO -0.09 1.11 0.22 0.00 -1.72 0.00 0.00 179.24 178.76 2huf h ALA 292 N 1.09 0.71 -0.78 0.00 0.00 -0.96 -0.56 119.26 118.77 2huf h ALA 292 Ca 0.21 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2huf h ALA 292 Cb 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2huf h ALA 292 CO -0.01 0.16 0.49 -0.22 0.00 0.00 0.00 179.25 179.67 2huf h LYS 293 N 0.76 0.91 -0.58 0.00 1.63 -1.08 0.10 116.57 118.31 2huf h LYS 293 Ca 0.21 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 2huf h LYS 293 Cb -0.07 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.32 2huf h LYS 293 CO -0.04 0.60 0.25 -0.09 -3.45 0.00 0.00 179.45 176.72 2huf h ARG 294 N 0.94 0.86 -0.40 1.90 2.43 -0.98 -2.07 114.38 117.07 2huf h ARG 294 Ca 0.32 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2huf h ARG 294 Cb 0.05 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2huf h ARG 294 CO -0.13 0.73 0.24 1.25 -1.51 0.00 0.00 179.97 180.55 2huf h LEU 295 N 0.80 0.48 -0.62 3.80 5.85 -0.41 -2.31 115.31 122.91 2huf h LEU 295 Ca 0.20 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2huf h LEU 295 Cb 0.18 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2huf h LEU 295 CO -0.02 0.39 0.37 1.88 -0.34 0.00 0.00 178.44 180.72 2huf h TYR 296 N 0.53 0.69 -0.23 1.25 0.05 -0.55 -0.16 116.97 118.54 2huf h TYR 296 Ca 0.14 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 2huf h TYR 296 Cb -0.00 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2huf h TYR 296 CO -0.04 0.38 0.11 -0.09 -1.05 0.00 0.00 178.16 177.48 2huf h ARG 297 N 0.72 0.34 -0.34 4.88 2.43 -1.22 0.68 114.38 121.88 2huf h ARG 297 Ca 0.25 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2huf h ARG 297 Cb 0.05 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2huf h ARG 297 CO -0.12 0.34 0.22 0.78 -1.51 0.00 0.00 179.97 179.68 2huf h GLY 298 N 0.25 0.48 0.93 2.80 0.00 -1.16 0.54 103.07 106.91 2huf h GLY 298 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2huf h GLY 298 CO -0.01 0.18 0.15 1.41 0.00 0.00 0.00 176.54 178.27 2huf h LEU 299 N 0.45 0.46 -0.59 3.11 3.38 -0.88 -2.53 115.31 118.70 2huf h LEU 299 Ca 0.12 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2huf h LEU 299 Cb -0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2huf h LEU 299 CO -0.03 0.48 -0.64 1.56 0.09 0.00 0.00 178.44 179.91 2huf h GLN 300 N 0.41 0.26 -0.44 1.13 4.20 -0.74 -1.64 115.11 118.28 2huf h GLN 300 Ca 0.11 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2huf h GLN 300 Cb 0.15 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2huf h GLN 300 CO -0.01 0.81 0.16 -0.44 -0.67 0.00 0.00 178.83 178.68 2huf h ASP 301 N 0.18 0.57 -0.00 1.46 3.32 -0.87 -2.36 116.42 118.72 2huf h ASP 301 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2huf h ASP 301 Cb 1.16 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2huf h ASP 301 CO 0.10 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 178.15 2huf n ALA 302 N -2.47 2.66 -0.63 3.45 0.00 -0.95 -4.90 120.51 117.67 2huf n ALA 302 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2huf n ALA 302 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2huf n ALA 302 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2huf n GLY 303 N 1.04 0.65 3.84 0.00 0.00 -0.89 -5.07 105.19 104.76 2huf n GLY 303 Ca 0.23 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2huf n GLY 303 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2huf s PHE 304 N -2.00 3.39 -0.17 1.61 0.40 -0.66 -5.02 117.98 115.53 2huf s PHE 304 Ca 0.00 1.47 -0.04 0.00 -0.60 0.00 0.00 56.93 57.76 2huf s PHE 304 Cb 0.00 -2.77 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 2huf s PHE 304 CO 0.00 -0.20 -0.03 -2.00 0.70 0.00 0.00 175.22 173.70 2huf s GLU 305 N -3.58 3.66 0.25 0.44 2.12 -1.26 -4.37 118.70 115.97 2huf s GLU 305 Ca 0.59 -0.52 -0.21 0.00 0.36 0.00 0.00 54.97 55.20 2huf s GLU 305 Cb -0.10 -2.96 -0.09 0.00 0.26 0.00 0.00 34.13 31.24 2huf s GLU 305 CO 0.22 0.18 0.78 -0.51 -0.54 0.00 0.00 175.26 175.40 2huf s LEU 306 N 0.52 4.32 -0.01 2.70 1.43 -1.26 -0.41 118.68 125.96 2huf s LEU 306 Ca -0.02 1.51 -0.20 0.00 -1.03 0.00 0.00 54.13 54.39 2huf s LEU 306 Cb -0.14 -3.73 -0.30 0.00 0.03 0.00 0.00 46.19 42.05 2huf s LEU 306 CO 0.03 -0.01 0.98 0.22 0.23 0.00 0.00 176.35 177.79 2huf h TYR 307 N 3.26 0.68 -3.96 0.29 3.20 -1.43 -3.45 116.97 115.57 2huf h TYR 307 Ca -0.48 -0.46 -0.47 0.00 3.14 0.00 0.00 58.73 60.46 2huf h TYR 307 Cb 1.19 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2huf h TYR 307 CO 0.63 1.34 0.38 0.00 -1.64 0.00 0.00 178.16 178.86 2huf s ALA 308 N -2.68 3.10 0.19 1.82 0.00 -1.26 -4.70 121.76 118.23 2huf s ALA 308 Ca -0.12 0.59 -0.33 0.00 0.00 0.00 0.00 51.96 52.10 2huf s ALA 308 Cb 0.02 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 2huf s ALA 308 CO 0.86 -0.05 1.47 -3.47 0.00 0.00 0.00 175.76 174.57 2huf n ASP 309 N -0.04 2.80 -0.04 0.00 -0.08 0.42 -4.85 116.55 114.76 2huf n ASP 309 Ca 0.05 1.12 0.24 0.00 -1.51 0.00 0.00 54.79 54.69 2huf n ASP 309 Cb 0.51 -1.41 0.70 0.00 2.34 0.00 0.00 41.12 43.26 2huf n ASP 309 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2huf h PRO 310 N 4.95 0.00 0.00 -0.67 0.11 -1.94 0.17 132.00 134.63 2huf h PRO 310 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2huf h PRO 310 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2huf h PRO 310 CO 0.81 0.00 -0.16 0.36 -0.21 0.00 0.00 178.00 178.80 2huf n LYS 311 N -3.80 0.08 -0.05 1.05 2.85 -1.26 -4.17 118.16 112.86 2huf n LYS 311 Ca 0.13 0.05 0.06 0.00 -1.05 0.00 0.00 58.31 57.51 2huf n LYS 311 Cb 0.87 -1.58 0.09 0.00 -0.65 0.00 0.00 35.03 33.76 2huf n LYS 311 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2huf n ASP 312 N -1.71 2.17 -4.75 -5.58 8.00 0.60 -5.03 116.55 110.26 2huf n ASP 312 Ca 0.06 -2.69 -0.40 0.00 0.71 0.00 0.00 54.79 52.47 2huf n ASP 312 Cb 0.37 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 2huf n ASP 312 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2huf s ARG 313 N -2.18 4.82 -0.24 -1.24 0.52 -1.21 -0.48 118.95 118.94 2huf s ARG 313 Ca 0.21 1.50 -0.15 0.00 -0.52 0.00 0.00 55.73 56.77 2huf s ARG 313 Cb 0.18 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 2huf s ARG 313 CO 0.02 0.45 0.39 -1.17 0.02 0.00 0.00 175.30 175.01 2huf s LEU 314 N -0.98 4.08 0.39 2.53 2.96 -0.58 -4.42 118.68 122.66 2huf s LEU 314 Ca 0.42 0.39 0.09 0.00 -0.22 0.00 0.00 54.13 54.81 2huf s LEU 314 Cb -0.26 -2.48 0.86 0.00 0.50 0.00 0.00 46.19 44.81 2huf s LEU 314 CO 0.32 -0.15 1.98 0.77 -1.32 0.00 0.00 176.35 177.95 2huf h SER 315 N 7.84 0.53 1.62 3.68 4.64 -1.90 -3.03 113.55 126.93 2huf h SER 315 Ca -0.33 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 2huf h SER 315 Cb 1.16 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2huf h SER 315 CO 0.68 0.34 -0.39 0.71 -0.87 0.00 0.00 176.83 177.31 2huf h THR 316 N 0.61 0.36 -3.25 2.95 1.35 -1.85 -3.42 112.91 109.67 2huf h THR 316 Ca 0.28 -1.53 -0.46 0.00 -0.55 0.00 0.00 66.41 64.15 2huf h THR 316 Cb 0.31 2.11 -0.39 0.00 -1.73 0.00 0.00 68.15 68.46 2huf h THR 316 CO -0.09 0.21 -0.77 -0.69 -0.25 0.00 0.00 175.52 173.93 2huf s VAL 317 N -3.11 0.42 -0.24 6.82 1.01 -1.14 -1.24 120.40 122.92 2huf s VAL 317 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2huf s VAL 317 Cb 0.07 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2huf s VAL 317 CO 0.72 0.12 0.05 -0.89 0.00 0.00 0.00 175.10 175.10 2huf s THR 318 N 1.94 4.13 -0.15 3.92 2.01 0.17 -4.38 115.64 123.28 2huf s THR 318 Ca 0.03 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 2huf s THR 318 Cb -0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2huf s THR 318 CO -0.06 0.36 0.39 0.42 -0.69 0.00 0.00 174.62 175.04 2huf s THR 319 N 1.57 5.23 -0.06 -0.82 -4.23 -1.26 -1.42 115.64 114.65 2huf s THR 319 Ca 0.06 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.35 2huf s THR 319 Cb -0.15 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 69.97 2huf s THR 319 CO 0.02 0.33 -0.15 0.27 -0.54 0.00 0.00 174.62 174.55 2huf s ILE 320 N 0.74 1.32 0.26 2.99 -5.25 -0.17 -1.07 121.20 120.03 2huf s ILE 320 Ca 0.21 -0.61 -0.30 0.00 -0.99 0.00 0.00 60.65 58.95 2huf s ILE 320 Cb -0.14 -1.16 -0.11 0.00 2.95 0.00 0.00 42.46 43.99 2huf s ILE 320 CO 0.07 0.39 1.58 -0.54 -1.79 0.00 0.00 174.94 174.66 2huf s LYS 321 N 0.37 4.15 -0.08 0.37 1.02 0.45 -0.80 119.74 125.21 2huf s LYS 321 Ca -0.10 2.52 -0.30 0.00 0.02 0.00 0.00 55.97 58.11 2huf s LYS 321 Cb -0.14 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 2huf s LYS 321 CO 0.03 -0.61 1.51 0.08 -0.92 0.00 0.00 175.35 175.45 2huf s VAL 322 N 0.24 3.81 0.83 3.17 1.01 -0.78 -4.65 120.40 124.02 2huf s VAL 322 Ca 0.65 0.99 -0.11 0.00 0.00 0.00 0.00 61.98 63.51 2huf s VAL 322 Cb -0.47 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.36 2huf s VAL 322 CO 0.44 -0.08 1.12 -2.84 0.00 0.00 0.00 175.10 173.74 2huf s PRO 323 N 3.75 1.74 -0.50 2.72 0.02 -1.26 -4.86 135.00 136.61 2huf s PRO 323 Ca 0.67 1.37 -0.46 0.00 0.02 0.00 0.00 61.00 62.60 2huf s PRO 323 Cb -0.30 -1.82 -0.20 0.00 0.02 0.00 0.00 34.50 32.20 2huf s PRO 323 CO 0.25 -2.06 1.79 0.00 -0.33 0.00 0.00 177.00 176.65 2huf n GLN 324 N -3.75 0.00 -0.46 5.54 -0.00 -1.26 -2.17 117.38 115.27 2huf n GLN 324 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 2huf n GLN 324 Cb 0.52 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.27 2huf n GLN 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2huf n GLY 325 N 5.27 1.77 3.77 2.61 0.00 -1.26 -4.89 105.19 112.46 2huf n GLY 325 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 2huf n GLY 325 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2huf s VAL 326 N -3.35 4.88 -0.56 1.61 -7.23 -0.92 -4.60 120.40 110.23 2huf s VAL 326 Ca 0.00 1.25 -0.24 0.00 -1.81 0.00 0.00 61.98 61.18 2huf s VAL 326 Cb 0.00 -3.93 0.04 0.00 0.56 0.00 0.00 36.38 33.05 2huf s VAL 326 CO 0.00 0.44 0.96 -0.62 -0.31 0.00 0.00 175.10 175.57 2huf s ASP 327 N -0.32 6.33 0.30 4.85 -1.08 -1.26 -4.82 116.67 120.67 2huf s ASP 327 Ca 0.31 -0.36 -0.02 0.00 -0.52 0.00 0.00 52.55 51.95 2huf s ASP 327 Cb -0.18 -2.44 0.43 0.00 -1.46 0.00 0.00 42.92 39.26 2huf s ASP 327 CO 0.18 -1.26 1.97 4.11 0.52 0.00 0.00 175.17 180.68 2huf h TRP 328 N 9.35 1.05 -0.47 -5.34 5.08 -1.95 -1.64 115.95 122.03 2huf h TRP 328 Ca -0.26 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.63 2huf h TRP 328 Cb 1.07 -0.36 -0.02 0.00 -3.00 0.00 0.00 29.16 26.86 2huf h TRP 328 CO 0.93 0.66 -0.09 1.25 -1.28 0.00 0.00 178.44 179.91 2huf h LEU 329 N 1.13 0.90 -1.11 0.11 6.46 -1.99 -0.27 115.31 120.54 2huf h LEU 329 Ca 0.31 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2huf h LEU 329 Cb -0.13 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.52 2huf h LEU 329 CO -0.07 1.04 0.41 0.11 -0.62 0.00 0.00 178.44 179.31 2huf h LYS 330 N 0.74 1.03 -0.22 1.25 1.57 -1.84 -0.71 116.57 118.38 2huf h LYS 330 Ca 0.12 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2huf h LYS 330 Cb 0.63 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2huf h LYS 330 CO 0.04 0.75 0.03 0.00 -0.57 0.00 0.00 179.45 179.70 2huf h ALA 331 N 1.41 0.30 -0.68 3.86 0.00 -0.92 -1.21 119.26 122.03 2huf h ALA 331 Ca 0.26 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2huf h ALA 331 Cb 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2huf h ALA 331 CO -0.04 -0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.58 2huf h ALA 332 N 0.83 0.91 -0.58 0.00 0.00 -0.72 -2.00 119.26 117.70 2huf h ALA 332 Ca 0.07 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2huf h ALA 332 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2huf h ALA 332 CO 0.01 0.08 -0.03 1.96 0.00 0.00 0.00 179.25 181.26 2huf h GLN 333 N 0.72 1.04 -0.47 0.00 4.20 -0.95 -1.56 115.11 118.08 2huf h GLN 333 Ca 0.30 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.69 2huf h GLN 333 Cb 0.17 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2huf h GLN 333 CO -0.17 1.03 0.29 -0.92 -0.67 0.00 0.00 178.83 178.39 2huf h TYR 334 N 0.94 0.55 -0.62 2.96 3.20 -0.89 -0.08 116.97 123.02 2huf h TYR 334 Ca 0.16 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2huf h TYR 334 Cb 0.59 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2huf h TYR 334 CO 0.04 0.32 0.18 0.00 -1.64 0.00 0.00 178.16 177.07 2huf h ALA 335 N 1.20 0.81 -0.21 1.82 0.00 -1.03 -0.96 119.26 120.89 2huf h ALA 335 Ca 0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2huf h ALA 335 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2huf h ALA 335 CO -0.07 0.49 -0.06 1.98 0.00 0.00 0.00 179.25 181.59 2huf h MET 336 N 0.89 0.42 -0.41 0.00 1.85 -1.01 -0.67 114.93 116.00 2huf h MET 336 Ca 0.20 -0.16 -0.13 0.00 -0.61 0.00 0.00 59.70 59.00 2huf h MET 336 Cb 0.31 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 2huf h MET 336 CO -0.00 0.66 -0.25 0.87 -0.40 0.00 0.00 176.91 177.79 2huf h LYS 337 N 0.14 0.84 0.10 0.39 1.57 -0.97 -0.66 116.57 117.99 2huf h LYS 337 Ca 0.05 -0.36 -0.30 0.00 -1.87 0.00 0.00 60.65 58.17 2huf h LYS 337 Cb 0.51 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2huf h LYS 337 CO 0.02 1.00 -1.57 0.00 -0.57 0.00 0.00 179.45 178.33 2huf h THR 338 N 0.73 1.09 0.00 -0.16 1.03 -1.18 -3.41 112.91 111.01 2huf h THR 338 Ca 0.09 -2.77 0.00 0.00 -0.01 0.00 0.00 66.41 63.72 2huf h THR 338 Cb 0.79 2.70 0.00 0.00 -1.07 0.00 0.00 68.15 70.57 2huf h THR 338 CO 0.07 0.79 0.00 -1.22 -0.01 0.00 0.00 175.52 175.15 2huf n TYR 339 N -3.40 0.00 -2.82 0.00 4.02 -0.27 -5.00 117.16 109.70 2huf n TYR 339 Ca -0.17 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.52 2huf n TYR 339 Cb 1.04 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.37 2huf n TYR 339 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2huf n LEU 340 N -0.45 -1.87 -4.54 7.72 4.77 -0.25 -4.84 117.00 117.54 2huf n LEU 340 Ca 0.00 -0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.51 2huf n LEU 340 Cb 0.02 -2.56 -0.12 0.00 -2.33 0.00 0.00 43.42 38.43 2huf n LEU 340 CO 0.00 0.03 -0.36 0.68 -1.33 0.00 0.00 177.39 176.41 2huf s VAL 341 N -2.95 3.86 -0.19 4.08 -7.23 -1.22 -1.05 120.40 115.71 2huf s VAL 341 Ca 0.18 -0.39 -0.23 0.00 -1.81 0.00 0.00 61.98 59.74 2huf s VAL 341 Cb -0.09 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2huf s VAL 341 CO 0.23 0.53 0.71 -0.70 -0.31 0.00 0.00 175.10 175.56 2huf s GLU 342 N -0.08 4.24 -0.03 4.82 2.12 -0.26 -3.17 118.70 126.36 2huf s GLU 342 Ca 0.02 0.78 0.07 0.00 0.36 0.00 0.00 54.97 56.19 2huf s GLU 342 Cb -0.13 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 2huf s GLU 342 CO 0.03 -0.28 -0.23 0.96 -0.54 0.00 0.00 175.26 175.19 2huf s ILE 343 N 2.02 1.87 0.28 -3.70 -4.36 -1.26 -2.71 121.20 113.34 2huf s ILE 343 Ca 0.33 -1.00 0.08 0.00 -0.26 0.00 0.00 60.65 59.80 2huf s ILE 343 Cb -0.16 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 2huf s ILE 343 CO 0.11 0.53 0.14 -0.44 0.24 0.00 0.00 174.94 175.52 2huf s SER 344 N -0.41 5.07 0.00 4.36 0.01 -1.18 -4.73 113.70 116.82 2huf s SER 344 Ca 0.05 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2huf s SER 344 Cb -0.10 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.04 2huf s SER 344 CO 0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2huf n GLY 345 N -1.11 1.03 0.00 3.44 0.00 -1.26 -1.08 105.19 106.20 2huf n GLY 345 Ca -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2huf n GLY 345 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2huf n GLY 346 N 5.00 0.63 3.33 -0.02 0.00 -1.01 -3.76 105.19 109.36 2huf n GLY 346 Ca 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 2huf n GLY 346 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2huf s LEU 347 N 0.00 -0.02 0.00 0.99 0.20 -1.26 -4.62 118.68 113.98 2huf s LEU 347 Ca 0.00 0.95 0.00 0.00 0.69 0.00 0.00 54.13 55.77 2huf s LEU 347 Cb 0.00 1.51 0.00 0.00 -0.43 0.00 0.00 46.19 47.27 2huf s LEU 347 CO 0.00 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 176.49 2huf n GLY 348 N 3.72 4.22 0.29 7.98 0.00 -1.26 -2.05 105.19 118.08 2huf n GLY 348 Ca -0.19 0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.09 2huf n GLY 348 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2huf h PRO 349 N 0.00 0.00 -0.44 1.61 0.13 -1.94 -1.80 132.00 129.56 2huf h PRO 349 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2huf h PRO 349 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2huf h PRO 349 CO 0.00 0.06 0.00 0.25 -0.23 0.00 0.00 178.00 178.08 2huf n THR 350 N -3.37 0.58 -1.67 1.56 -2.24 -0.87 -4.91 114.28 103.36 2huf n THR 350 Ca -0.02 -0.71 -0.46 0.00 -2.27 0.00 0.00 64.05 60.59 2huf n THR 350 Cb 0.20 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 2huf n THR 350 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2huf n ALA 351 N 1.25 1.30 -0.53 6.98 0.00 -0.68 -0.93 120.51 127.89 2huf n ALA 351 Ca 0.19 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2huf n ALA 351 Cb 0.53 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2huf n ALA 351 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2huf n GLY 352 N 3.68 1.42 0.03 0.00 0.00 -1.26 -4.82 105.19 104.23 2huf n GLY 352 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 2huf n GLY 352 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2huf n GLN 353 N -2.00 0.77 -4.10 1.61 6.02 -0.11 -4.93 117.38 114.63 2huf n GLN 353 Ca 0.00 -0.12 -0.08 0.00 -0.01 0.00 0.00 57.00 56.79 2huf n GLN 353 Cb 0.00 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 29.74 2huf n GLN 353 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2huf s VAL 354 N -2.98 0.18 0.17 5.09 -7.23 -1.16 -1.87 120.40 112.60 2huf s VAL 354 Ca -0.07 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 2huf s VAL 354 Cb 0.09 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 2huf s VAL 354 CO 0.71 -0.81 0.34 -0.36 -0.31 0.00 0.00 175.10 174.67 2huf s PHE 355 N -3.96 3.49 -0.12 2.82 0.40 0.02 -2.41 117.98 118.21 2huf s PHE 355 Ca 0.13 0.27 -0.00 0.00 -0.60 0.00 0.00 56.93 56.72 2huf s PHE 355 Cb 0.08 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.84 2huf s PHE 355 CO -0.06 0.44 -0.10 1.03 0.70 0.00 0.00 175.22 177.23 2huf s ARG 356 N -3.22 1.79 -0.23 0.44 0.52 -0.24 -0.99 118.95 117.02 2huf s ARG 356 Ca 0.37 -0.36 -0.07 0.00 -0.52 0.00 0.00 55.73 55.15 2huf s ARG 356 Cb -0.11 -1.76 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 2huf s ARG 356 CO 0.29 -0.25 0.05 0.42 0.02 0.00 0.00 175.30 175.82 2huf s ILE 357 N 1.61 4.22 -0.07 1.52 1.01 -0.51 -3.10 121.20 125.88 2huf s ILE 357 Ca 0.05 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 2huf s ILE 357 Cb -0.13 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 2huf s ILE 357 CO -0.09 0.37 0.32 -0.83 0.00 0.00 0.00 174.94 174.72 2huf s GLY 358 N 1.37 2.34 -0.38 6.18 0.00 -0.04 -0.65 107.32 116.14 2huf s GLY 358 Ca 0.05 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.42 2huf s GLY 358 CO 0.03 0.12 0.13 1.08 0.00 0.00 0.00 173.10 174.46 2huf s LEU 359 N -0.62 3.74 -0.03 0.66 1.43 -0.37 -4.60 118.68 118.89 2huf s LEU 359 Ca 0.20 -2.28 -0.01 0.00 -1.03 0.00 0.00 54.13 51.01 2huf s LEU 359 Cb -0.15 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.75 2huf s LEU 359 CO 0.09 -0.34 0.03 -0.04 0.23 0.00 0.00 176.35 176.32 2huf s MET 360 N 0.74 0.00 7.34 1.70 -1.94 -1.26 -4.40 119.30 121.48 2huf s MET 360 Ca 0.13 0.23 0.00 0.00 -1.71 0.00 0.00 55.69 54.34 2huf s MET 360 Cb -0.21 -0.36 0.00 0.00 2.01 0.00 0.00 34.83 36.27 2huf s MET 360 CO -0.09 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.12 2huf n GLY 361 N 4.50 3.24 0.31 -0.03 0.00 -1.22 -1.11 105.19 110.88 2huf n GLY 361 Ca -0.21 0.17 0.18 0.00 0.00 0.00 0.00 46.02 46.16 2huf n GLY 361 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2huf h GLN 362 N 0.00 0.00 -0.01 1.61 1.08 -1.82 -2.61 115.11 113.36 2huf h GLN 362 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2huf h GLN 362 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2huf h GLN 362 CO 0.00 0.02 -0.36 0.09 -0.95 0.00 0.00 178.83 177.63 2huf n ASN 363 N -3.52 1.21 -3.87 1.46 3.02 -0.27 -4.49 115.26 108.80 2huf n ASN 363 Ca -0.03 -0.99 -0.43 0.00 -0.03 0.00 0.00 54.58 53.11 2huf n ASN 363 Cb 0.11 0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.54 2huf n ASN 363 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2huf n ALA 364 N -0.61 5.37 -2.34 5.41 0.00 -0.98 -4.41 120.51 122.96 2huf n ALA 364 Ca 0.11 -4.37 -0.14 0.00 0.00 0.00 0.00 53.44 49.04 2huf n ALA 364 Cb 0.37 -2.91 -0.10 0.00 0.00 0.00 0.00 19.45 16.81 2huf n ALA 364 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2huf s THR 365 N -0.01 0.99 0.23 0.00 -4.23 -1.26 -4.82 115.64 106.55 2huf s THR 365 Ca 0.39 -1.86 -0.07 0.00 -1.18 0.00 0.00 61.69 58.97 2huf s THR 365 Cb 0.09 -1.61 0.22 0.00 1.34 0.00 0.00 72.50 72.54 2huf s THR 365 CO 0.02 -0.68 1.89 0.71 -0.54 0.00 0.00 174.62 176.02 2huf h THR 366 N 3.16 1.24 -0.51 3.99 1.35 -1.97 -0.04 112.91 120.13 2huf h THR 366 Ca -0.37 -0.49 0.04 0.00 -0.55 0.00 0.00 66.41 65.04 2huf h THR 366 Cb 1.19 -0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.50 2huf h THR 366 CO 0.59 0.25 0.26 -0.33 -0.25 0.00 0.00 175.52 176.03 2huf h GLU 367 N 1.24 0.49 0.00 4.72 3.07 -1.96 -0.96 114.58 121.18 2huf h GLU 367 Ca 0.33 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.97 2huf h GLU 367 Cb -0.09 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 2huf h GLU 367 CO -0.07 0.32 -0.88 0.00 -1.40 0.00 0.00 179.01 176.98 2huf h ARG 368 N 0.50 0.00 -0.14 2.33 3.08 -1.70 -1.03 114.38 117.42 2huf h ARG 368 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2huf h ARG 368 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2huf h ARG 368 CO -0.15 0.88 0.09 0.28 -1.07 0.00 0.00 179.97 180.00 2huf h VAL 369 N 0.00 1.05 -0.72 2.04 2.07 -0.88 -1.06 116.25 118.74 2huf h VAL 369 Ca -0.01 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 2huf h VAL 369 Cb 1.59 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 2huf h VAL 369 CO 0.11 0.04 0.21 0.44 0.02 0.00 0.00 177.57 178.40 2huf h ASP 370 N 0.18 1.06 0.17 0.57 3.32 -1.02 -0.64 116.42 120.06 2huf h ASP 370 Ca 0.05 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2huf h ASP 370 Cb -0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 2huf h ASP 370 CO -0.01 1.00 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.34 2huf h ARG 371 N 1.08 -0.22 -0.37 3.56 9.65 -1.08 -1.40 114.38 125.62 2huf h ARG 371 Ca 0.23 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.05 2huf h ARG 371 Cb 0.33 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 2huf h ARG 371 CO -0.00 -0.12 -0.08 -0.24 2.80 0.00 0.00 179.97 182.33 2huf h VAL 372 N -0.26 1.23 -0.29 0.20 3.04 -1.01 -0.60 116.25 118.56 2huf h VAL 372 Ca -0.02 -1.01 0.01 0.00 -1.01 0.00 0.00 66.70 64.67 2huf h VAL 372 Cb 0.20 1.04 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 2huf h VAL 372 CO 0.04 0.34 0.18 -0.07 -1.01 0.00 0.00 177.57 177.05 2huf h LEU 373 N 0.57 0.30 0.42 3.16 3.38 -0.98 0.89 115.31 123.04 2huf h LEU 373 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2huf h LEU 373 Cb 0.48 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2huf h LEU 373 CO 0.03 0.22 -0.31 -0.61 0.09 0.00 0.00 178.44 177.85 2huf h GLN 374 N 0.37 -0.69 -0.14 1.13 4.15 -0.90 -1.97 115.11 117.05 2huf h GLN 374 Ca 0.11 0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.43 2huf h GLN 374 Cb -0.02 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2huf h GLN 374 CO -0.04 -0.46 -0.56 -0.39 -1.93 0.00 0.00 178.83 175.45 2huf h VAL 375 N -0.71 1.34 -0.22 2.39 -1.51 -1.02 -1.54 116.25 114.97 2huf h VAL 375 Ca -0.04 -1.84 0.02 0.00 -1.23 0.00 0.00 66.70 63.60 2huf h VAL 375 Cb 0.61 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 2huf h VAL 375 CO 0.01 0.56 0.10 0.15 -1.23 0.00 0.00 177.57 177.16 2huf h PHE 376 N 0.33 0.19 -0.52 5.19 3.57 -0.85 0.50 116.94 125.35 2huf h PHE 376 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2huf h PHE 376 Cb 1.08 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2huf h PHE 376 CO 0.04 0.10 0.30 1.96 -2.23 0.00 0.00 178.31 178.48 2huf h GLN 377 N 0.22 0.71 -0.48 1.11 4.20 -1.15 -1.10 115.11 118.63 2huf h GLN 377 Ca 0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2huf h GLN 377 Cb 0.03 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2huf h GLN 377 CO -0.07 0.53 0.23 0.93 -0.67 0.00 0.00 178.83 179.77 2huf h GLU 378 N 0.69 0.69 -0.44 1.46 5.08 -1.04 -1.17 114.58 119.85 2huf h GLU 378 Ca 0.18 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2huf h GLU 378 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2huf h GLU 378 CO -0.03 0.58 0.16 0.00 -1.00 0.00 0.00 179.01 178.72 2huf h ALA 379 N 1.07 0.57 -0.29 3.43 0.00 -0.68 0.12 119.26 123.48 2huf h ALA 379 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2huf h ALA 379 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2huf h ALA 379 CO -0.02 0.19 0.05 0.28 0.00 0.00 0.00 179.25 179.75 2huf h VAL 380 N 0.57 1.23 -0.67 0.00 2.07 -1.17 -2.92 116.25 115.37 2huf h VAL 380 Ca 0.14 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2huf h VAL 380 Cb 0.22 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2huf h VAL 380 CO -0.01 0.26 0.39 0.00 0.02 0.00 0.00 177.57 178.23 2huf h ALA 381 N 0.87 1.43 -0.43 1.67 0.00 -1.02 -1.91 119.26 119.88 2huf h ALA 381 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2huf h ALA 381 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2huf h ALA 381 CO 0.01 0.48 0.22 0.00 0.00 0.00 0.00 179.25 179.96 2huf h ALA 382 N 1.51 1.58 -0.01 0.00 0.00 -0.58 -3.05 119.26 118.71 2huf h ALA 382 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2huf h ALA 382 Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2huf h ALA 382 CO -0.04 0.35 -0.51 1.33 0.00 0.00 0.00 179.25 180.38 2huf n VAL 383 N -4.41 0.00 -2.42 0.00 0.24 -1.01 -4.98 118.33 105.74 2huf n VAL 383 Ca 0.03 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 2huf n VAL 383 Cb 0.11 1.16 -0.04 0.00 -1.47 0.00 0.00 33.84 33.60 2huf n VAL 383 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2huf s LYS 384 N -2.27 4.55 0.00 7.34 2.20 -0.75 -4.71 119.74 126.09 2huf s LYS 384 Ca 0.13 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 2huf s LYS 384 Cb 0.15 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 2huf s LYS 384 CO 0.54 0.02 0.18 -0.35 -0.36 0.00 0.00 175.35 175.38