#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h43 s VAL 6 N 0.00 4.82 -0.37 -3.33 1.01 -1.23 -4.87 120.40 116.44 1h43 s VAL 6 Ca 0.00 1.62 -0.21 0.00 0.00 0.00 0.00 61.98 63.40 1h43 s VAL 6 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1h43 s VAL 6 CO 0.00 -0.08 0.65 -1.10 0.00 0.00 0.00 175.10 174.57 1h43 s GLN 7 N 2.84 3.64 0.22 2.72 -0.21 -1.26 -0.54 119.66 127.06 1h43 s GLN 7 Ca 0.36 0.02 -0.14 0.00 0.02 0.00 0.00 55.36 55.62 1h43 s GLN 7 Cb -0.15 -3.82 -0.08 0.00 1.00 0.00 0.00 33.01 29.96 1h43 s GLN 7 CO 0.07 -0.77 0.62 -0.46 -2.12 0.00 0.00 175.29 172.63 1h43 s TRP 8 N 2.75 3.52 -0.26 0.91 -0.11 0.11 -0.60 118.94 125.26 1h43 s TRP 8 Ca 0.25 1.10 -0.07 0.00 1.22 0.00 0.00 56.10 58.60 1h43 s TRP 8 Cb -0.14 -2.42 -0.02 0.00 -1.50 0.00 0.00 33.47 29.39 1h43 s TRP 8 CO 0.15 0.30 0.06 0.00 -4.62 0.00 0.00 176.95 172.84 1h43 s ALA 10 N 1.58 3.80 -0.17 0.00 0.00 0.55 -4.81 121.76 122.70 1h43 s ALA 10 Ca 0.06 -0.71 0.17 0.00 0.00 0.00 0.00 51.96 51.47 1h43 s ALA 10 Cb -0.15 -2.07 0.43 0.00 0.00 0.00 0.00 23.12 21.32 1h43 s ALA 10 CO 0.03 0.49 1.31 0.28 0.00 0.00 0.00 175.76 177.86 1h43 n VAL 11 N -0.45 2.14 0.00 0.00 0.31 -1.26 -0.66 118.33 118.42 1h43 n VAL 11 Ca -0.04 -2.16 0.00 0.00 -0.01 0.00 0.00 64.34 62.13 1h43 n VAL 11 Cb 0.53 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 1h43 n VAL 11 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1h43 n SER 12 N -0.97 0.00 -0.28 4.52 3.41 -1.22 -4.52 113.62 114.57 1h43 n SER 12 Ca 0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.79 1h43 n SER 12 Cb 0.79 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.84 1h43 n SER 12 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1h43 h GLN 13 N 0.00 0.91 -0.89 4.33 1.08 -1.96 0.67 115.11 119.25 1h43 h GLN 13 Ca 0.00 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1h43 h GLN 13 Cb 0.00 -0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 27.18 1h43 h GLN 13 CO 0.00 0.60 0.59 -1.35 -0.95 0.00 0.00 178.83 177.72 1h43 h PRO 14 N 0.94 1.16 -0.20 1.46 0.11 -1.99 0.28 132.00 133.76 1h43 h PRO 14 Ca 0.31 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.29 1h43 h PRO 14 Cb 0.04 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 1h43 h PRO 14 CO -0.12 0.77 -0.12 0.93 -0.21 0.00 0.00 178.00 179.24 1h43 h GLU 15 N 1.19 0.43 -0.69 1.05 5.08 -1.76 -1.84 114.58 118.05 1h43 h GLU 15 Ca 0.33 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1h43 h GLU 15 Cb -0.11 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 1h43 h GLU 15 CO -0.08 0.74 0.37 0.00 -1.00 0.00 0.00 179.01 179.05 1h43 h ALA 16 N 0.68 0.93 -0.51 3.43 0.00 -0.36 0.32 119.26 123.75 1h43 h ALA 16 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h43 h ALA 16 Cb 0.63 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1h43 h ALA 16 CO 0.03 0.02 0.33 1.15 0.00 0.00 0.00 179.25 180.79 1h43 h THR 17 N 0.67 1.13 -0.61 0.00 2.02 -0.30 -0.74 112.91 115.08 1h43 h THR 17 Ca 0.32 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 1h43 h THR 17 Cb 0.25 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1h43 h THR 17 CO -0.21 0.13 0.04 0.50 0.37 0.00 0.00 175.52 176.35 1h43 h LYS 18 N 0.69 1.06 -0.79 6.66 3.64 -0.47 -2.46 116.57 124.91 1h43 h LYS 18 Ca 0.19 -0.32 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1h43 h LYS 18 Cb -0.07 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 1h43 h LYS 18 CO -0.04 1.02 0.51 0.00 -2.27 0.00 0.00 179.45 178.67 1h43 h PHE 20 N 1.07 0.05 -0.04 0.00 0.04 -0.90 -1.30 116.94 115.86 1h43 h PHE 20 Ca 0.29 -0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.88 1h43 h PHE 20 Cb -0.11 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1h43 h PHE 20 CO 0.00 0.61 -0.70 1.96 -0.60 0.00 0.00 178.31 179.58 1h43 h GLN 21 N 0.03 0.19 -0.07 1.51 4.20 -0.89 -1.87 115.11 118.21 1h43 h GLN 21 Ca -0.01 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1h43 h GLN 21 Cb 1.04 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1h43 h GLN 21 CO 0.08 0.81 0.01 2.35 -0.67 0.00 0.00 178.83 181.41 1h43 h TRP 22 N 0.13 0.12 -0.35 2.96 7.01 -0.67 -1.65 115.95 123.51 1h43 h TRP 22 Ca -0.02 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.02 1h43 h TRP 22 Cb 1.24 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 28.22 1h43 h TRP 22 CO 0.02 0.33 0.04 0.37 -2.79 0.00 0.00 178.44 176.42 1h43 h GLN 23 N -0.13 0.15 -0.69 2.65 4.15 -1.14 0.48 115.11 120.58 1h43 h GLN 23 Ca 0.02 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1h43 h GLN 23 Cb 0.28 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1h43 h GLN 23 CO 0.00 0.10 0.34 0.00 -1.93 0.00 0.00 178.83 177.34 1h43 h ARG 24 N 0.15 0.97 -0.02 1.69 3.08 -1.26 -2.08 114.38 116.92 1h43 h ARG 24 Ca 0.17 -0.12 -0.22 0.00 0.07 0.00 0.00 59.98 59.87 1h43 h ARG 24 Cb 0.21 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1h43 h ARG 24 CO -0.25 0.74 -0.91 -0.91 -1.07 0.00 0.00 179.97 177.58 1h43 h ASN 25 N 0.97 0.57 -0.59 7.04 2.35 -0.70 -1.72 115.58 123.49 1h43 h ASN 25 Ca 0.24 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1h43 h ASN 25 Cb 0.08 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1h43 h ASN 25 CO -0.03 1.23 0.30 0.24 -1.65 0.00 0.00 177.43 177.52 1h43 h MET 26 N 0.26 0.84 -0.29 0.81 2.86 -0.71 -1.87 114.93 116.85 1h43 h MET 26 Ca -0.07 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1h43 h MET 26 Cb 1.54 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 1h43 h MET 26 CO 0.16 0.66 0.15 0.00 1.06 0.00 0.00 176.91 178.95 1h43 h ARG 27 N 0.80 0.31 -0.83 1.72 3.08 -1.35 -1.00 114.38 117.12 1h43 h ARG 27 Ca 0.21 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.33 1h43 h ARG 27 Cb 0.09 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 1h43 h ARG 27 CO -0.03 0.20 0.48 -0.09 -1.07 0.00 0.00 179.97 179.46 1h43 h ARG 28 N 0.32 0.79 -0.37 0.04 2.43 -0.87 -2.19 114.38 114.53 1h43 h ARG 28 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1h43 h ARG 28 Cb 0.02 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1h43 h ARG 28 CO -0.07 0.52 0.00 1.33 -1.51 0.00 0.00 179.97 180.24 1h43 n VAL 29 N -4.73 0.48 -3.33 0.20 0.24 -0.74 -4.93 118.33 105.52 1h43 n VAL 29 Ca 0.13 -0.53 -0.22 0.00 -2.04 0.00 0.00 64.34 61.69 1h43 n VAL 29 Cb 0.27 0.35 0.06 0.00 -1.47 0.00 0.00 33.84 33.05 1h43 n VAL 29 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1h43 n ARG 30 N 0.70 -6.46 -2.06 7.34 3.00 -0.82 -5.01 116.66 113.35 1h43 n ARG 30 Ca 0.15 0.79 -0.10 0.00 -0.01 0.00 0.00 57.85 58.68 1h43 n ARG 30 Cb 0.37 -5.60 0.03 0.00 0.00 0.00 0.00 32.46 27.26 1h43 n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h43 n GLY 31 N -1.76 2.08 3.74 -0.13 0.00 -0.44 -5.04 105.19 103.64 1h43 n GLY 31 Ca -0.03 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1h43 n GLY 31 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h43 n PRO 32 N -1.55 2.45 -2.67 1.61 -0.02 -1.26 -4.72 135.00 128.84 1h43 n PRO 32 Ca 0.07 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 62.05 1h43 n PRO 32 Cb 0.29 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 1h43 n PRO 32 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1h43 s PRO 33 N -1.66 4.35 -0.01 0.52 0.04 -1.26 -4.82 135.00 132.16 1h43 s PRO 33 Ca 0.57 1.40 0.02 0.00 0.04 0.00 0.00 61.00 63.02 1h43 s PRO 33 Cb -0.52 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 1h43 s PRO 33 CO 0.60 0.05 -0.06 0.54 0.04 0.00 0.00 177.00 178.16 1h43 s VAL 34 N -1.69 0.54 0.28 -0.36 0.11 -1.26 -3.50 120.40 114.51 1h43 s VAL 34 Ca 0.55 -0.26 0.10 0.00 -2.93 0.00 0.00 61.98 59.44 1h43 s VAL 34 Cb -0.19 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1h43 s VAL 34 CO 0.25 0.16 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.57 1h43 s SER 35 N 0.01 4.21 0.06 3.54 0.15 0.29 -4.61 113.70 117.36 1h43 s SER 35 Ca 0.00 -0.81 0.09 0.00 0.70 0.00 0.00 55.95 55.93 1h43 s SER 35 Cb -0.05 -0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 63.60 1h43 s SER 35 CO -0.00 -0.02 -0.24 0.00 1.20 0.00 0.00 173.24 174.18 1h43 s ILE 37 N -0.88 0.26 -0.19 0.00 1.10 -0.23 -4.89 121.20 116.36 1h43 s ILE 37 Ca 0.10 0.03 -0.09 0.00 -0.51 0.00 0.00 60.65 60.18 1h43 s ILE 37 Cb -0.10 -0.33 -0.05 0.00 0.15 0.00 0.00 42.46 42.14 1h43 s ILE 37 CO 0.03 0.16 0.11 -0.75 -2.11 0.00 0.00 174.94 172.38 1h43 s LYS 38 N 0.93 4.12 0.10 3.50 2.36 -1.26 -0.33 119.74 129.16 1h43 s LYS 38 Ca -0.10 -0.25 0.01 0.00 -2.55 0.00 0.00 55.97 53.08 1h43 s LYS 38 Cb -0.13 -3.36 -0.00 0.00 -1.05 0.00 0.00 37.83 33.28 1h43 s LYS 38 CO -0.01 0.30 0.04 -2.13 1.55 0.00 0.00 175.35 175.10 1h43 n ARG 39 N 3.50 0.77 -0.00 4.03 3.00 0.17 -4.94 116.66 123.18 1h43 n ARG 39 Ca -0.16 -0.87 0.01 0.00 -0.00 0.00 0.00 57.85 56.82 1h43 n ARG 39 Cb 0.52 0.50 -0.01 0.00 0.00 0.00 0.00 32.46 33.47 1h43 n ARG 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1h43 n ASP 40 N -2.00 4.66 -3.91 6.15 8.00 -1.26 -3.41 116.55 124.77 1h43 n ASP 40 Ca -0.01 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 1h43 n ASP 40 Cb 0.15 1.03 -0.08 0.00 -0.02 0.00 0.00 41.12 42.20 1h43 n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h43 s SER 41 N -2.25 0.20 0.32 -2.24 1.04 -1.26 -4.79 113.70 104.71 1h43 s SER 41 Ca -0.01 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.77 1h43 s SER 41 Cb 0.01 0.30 0.68 0.00 0.10 0.00 0.00 66.02 67.10 1h43 s SER 41 CO 0.06 -0.67 1.85 -0.65 0.98 0.00 0.00 173.24 174.81 1h43 h PRO 42 N 2.95 0.83 -0.41 4.02 0.11 -1.93 -1.75 132.00 135.82 1h43 h PRO 42 Ca -0.34 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.62 1h43 h PRO 42 Cb 1.18 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1h43 h PRO 42 CO 0.57 0.55 -0.13 0.97 -0.21 0.00 0.00 178.00 179.76 1h43 h ILE 43 N 0.85 1.28 -0.70 4.15 6.09 -1.99 -1.57 117.51 125.62 1h43 h ILE 43 Ca 0.47 -1.24 0.04 0.00 -1.37 0.00 0.00 64.86 62.77 1h43 h ILE 43 Cb 0.59 1.22 -0.05 0.00 0.47 0.00 0.00 36.82 39.04 1h43 h ILE 43 CO -0.24 0.42 0.42 1.56 -3.07 0.00 0.00 178.15 177.24 1h43 h GLN 44 N 0.63 0.77 -0.61 2.19 4.20 -1.74 -0.89 115.11 119.66 1h43 h GLN 44 Ca 0.10 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1h43 h GLN 44 Cb 0.66 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1h43 h GLN 44 CO 0.05 0.51 0.24 0.00 -0.67 0.00 0.00 178.83 178.96 1h43 h ILE 46 N 0.87 1.20 0.24 0.00 1.08 -0.19 -1.78 117.51 118.93 1h43 h ILE 46 Ca 0.21 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1h43 h ILE 46 Cb 0.17 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 1h43 h ILE 46 CO -0.02 0.20 -0.12 1.56 -0.69 0.00 0.00 178.15 179.08 1h43 h GLN 47 N 1.02 -0.31 -0.85 2.37 4.20 -0.55 -2.04 115.11 118.95 1h43 h GLN 47 Ca 0.27 0.02 0.18 0.00 0.06 0.00 0.00 58.65 59.18 1h43 h GLN 47 Cb -0.10 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 27.65 1h43 h GLN 47 CO -0.06 -0.12 0.39 0.00 -0.67 0.00 0.00 178.83 178.37 1h43 h ALA 48 N 0.28 1.30 -0.05 3.87 0.00 -0.85 0.35 119.26 124.16 1h43 h ALA 48 Ca -0.03 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1h43 h ALA 48 Cb 0.34 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1h43 h ALA 48 CO 0.05 -0.22 -0.54 0.82 0.00 0.00 0.00 179.25 179.36 1h43 h ILE 49 N 0.49 1.37 -0.33 0.00 2.04 -1.20 0.36 117.51 120.24 1h43 h ILE 49 Ca 0.49 -1.84 -0.13 0.00 1.00 0.00 0.00 64.86 64.39 1h43 h ILE 49 Cb 0.82 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1h43 h ILE 49 CO -0.44 0.54 -0.31 0.00 0.00 0.00 0.00 178.15 177.93 1h43 h ALA 50 N 1.35 0.83 -0.96 1.87 0.00 -0.22 -3.16 119.26 118.97 1h43 h ALA 50 Ca -0.00 -0.41 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 1h43 h ALA 50 Cb 0.98 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 18.35 1h43 h ALA 50 CO 0.08 0.64 0.67 -0.85 0.00 0.00 0.00 179.25 179.79 1h43 n GLU 51 N -4.08 2.44 -2.01 0.00 0.28 -0.64 -4.93 120.64 111.70 1h43 n GLU 51 Ca -0.01 -3.16 -0.13 0.00 -0.16 0.00 0.00 57.16 53.70 1h43 n GLU 51 Cb 0.48 -2.21 -0.03 0.00 1.43 0.00 0.00 31.44 31.11 1h43 n GLU 51 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1h43 n ASN 52 N -1.04 -3.77 0.04 -1.84 3.02 -1.14 -4.81 115.26 105.71 1h43 n ASN 52 Ca 0.59 0.24 0.12 0.00 -0.03 0.00 0.00 54.58 55.50 1h43 n ASN 52 Cb 1.21 -3.32 0.16 0.00 -0.61 0.00 0.00 39.78 37.22 1h43 n ASN 52 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1h43 n ARG 53 N -2.43 0.21 -3.85 3.52 5.12 0.13 -4.94 116.66 114.41 1h43 n ARG 53 Ca -0.14 0.04 -0.09 0.00 -1.93 0.00 0.00 57.85 55.73 1h43 n ARG 53 Cb 0.54 -1.61 -0.04 0.00 -1.16 0.00 0.00 32.46 30.19 1h43 n ARG 53 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1h43 s ALA 54 N -3.13 -0.81 -0.04 7.54 0.00 -1.05 -4.91 121.76 119.35 1h43 s ALA 54 Ca 0.07 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1h43 s ALA 54 Cb 0.15 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 24.14 1h43 s ALA 54 CO 0.73 -0.89 0.00 -0.25 0.00 0.00 0.00 175.76 175.36 1h43 n ASP 55 N -0.39 3.89 -3.93 0.00 8.00 0.23 -4.23 116.55 120.13 1h43 n ASP 55 Ca -0.06 -0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.35 1h43 n ASP 55 Cb 0.61 0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 42.13 1h43 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h43 s ALA 56 N -2.10 -0.04 -0.15 2.24 0.00 -1.09 -4.44 121.76 116.17 1h43 s ALA 56 Ca -0.03 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 1h43 s ALA 56 Cb 0.01 0.72 0.10 0.00 0.00 0.00 0.00 23.12 23.95 1h43 s ALA 56 CO 0.16 -0.58 0.87 0.54 0.00 0.00 0.00 175.76 176.75 1h43 s VAL 57 N -3.93 0.00 -0.13 0.00 0.11 -1.21 -1.78 120.40 113.46 1h43 s VAL 57 Ca 0.13 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 1h43 s VAL 57 Cb 0.04 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 1h43 s VAL 57 CO -0.04 0.00 0.21 -0.89 -3.33 0.00 0.00 175.10 171.05 1h43 s THR 58 N -0.78 5.37 0.04 5.04 2.01 -1.26 -0.90 115.64 125.16 1h43 s THR 58 Ca -0.04 0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.37 1h43 s THR 58 Cb -0.01 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1h43 s THR 58 CO 0.03 0.52 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.61 1h43 s LEU 59 N -0.37 2.21 0.67 4.42 1.43 -0.17 -4.94 118.68 121.93 1h43 s LEU 59 Ca 0.15 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1h43 s LEU 59 Cb -0.13 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.73 1h43 s LEU 59 CO 0.04 -0.08 1.13 -0.62 0.23 0.00 0.00 176.35 177.05 1h43 s ASP 60 N -1.31 4.90 0.46 2.29 2.15 -1.26 -1.59 116.67 122.30 1h43 s ASP 60 Ca -0.04 2.09 0.19 0.00 0.43 0.00 0.00 52.55 55.23 1h43 s ASP 60 Cb -0.08 -2.56 1.18 0.00 -0.30 0.00 0.00 42.92 41.15 1h43 s ASP 60 CO 0.01 -1.78 1.94 1.23 -0.17 0.00 0.00 175.17 176.40 1h43 h GLY 61 N -0.02 0.45 2.00 2.66 0.00 -1.83 -1.59 103.07 104.74 1h43 h GLY 61 Ca -0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1h43 h GLY 61 CO 0.53 0.04 -0.00 -1.33 0.00 0.00 0.00 176.54 175.77 1h43 h GLY 62 N 0.27 0.00 -0.26 4.60 0.00 -1.90 -1.73 103.07 104.05 1h43 h GLY 62 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1h43 h GLY 62 CO -0.08 0.00 -0.86 0.69 0.00 0.00 0.00 176.54 176.30 1h43 n PHE 63 N -3.14 0.00 0.10 5.60 3.72 -0.60 -4.45 117.46 118.70 1h43 n PHE 63 Ca -0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 1h43 n PHE 63 Cb 0.12 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 1h43 n PHE 63 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1h43 h ILE 64 N 0.66 0.89 -0.68 4.37 1.08 -1.31 -1.91 117.51 120.60 1h43 h ILE 64 Ca 0.00 -0.06 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 1h43 h ILE 64 Cb 0.57 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 1h43 h ILE 64 CO 0.00 0.01 0.36 0.22 -0.69 0.00 0.00 178.15 178.06 1h43 h TYR 65 N -0.20 0.66 0.61 1.37 3.20 -1.78 -1.40 116.97 119.43 1h43 h TYR 65 Ca -0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1h43 h TYR 65 Cb 0.16 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1h43 h TYR 65 CO -0.06 0.29 -0.42 0.93 -1.64 0.00 0.00 178.16 177.26 1h43 h GLU 66 N 0.65 -0.95 -0.18 1.82 4.39 -1.74 -2.48 114.58 116.09 1h43 h GLU 66 Ca 0.32 0.06 0.05 0.00 0.34 0.00 0.00 59.36 60.13 1h43 h GLU 66 Cb 0.25 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1h43 h GLU 66 CO -0.21 -0.63 0.19 0.00 -1.16 0.00 0.00 179.01 177.19 1h43 h ALA 67 N -0.74 1.82 0.00 3.43 0.00 -1.13 0.50 119.26 123.15 1h43 h ALA 67 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1h43 h ALA 67 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1h43 h ALA 67 CO 0.04 -0.28 -0.02 0.41 0.00 0.00 0.00 179.25 179.41 1h43 n GLY 68 N -1.41 -1.68 3.91 0.00 0.00 -0.55 -0.00 105.19 105.46 1h43 n GLY 68 Ca 0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1h43 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h43 s LEU 69 N -4.34 2.59 0.44 0.99 1.02 0.17 -4.20 118.68 115.34 1h43 s LEU 69 Ca 0.11 0.57 -0.13 0.00 0.02 0.00 0.00 54.13 54.70 1h43 s LEU 69 Cb 0.13 -2.88 -0.07 0.00 0.02 0.00 0.00 46.19 43.39 1h43 s LEU 69 CO 0.59 -2.24 0.85 0.00 0.02 0.00 0.00 176.35 175.57 1h43 s ALA 70 N -3.70 3.24 0.08 4.21 0.00 -1.26 0.65 121.76 124.98 1h43 s ALA 70 Ca 0.67 -0.06 0.11 0.00 0.00 0.00 0.00 51.96 52.69 1h43 s ALA 70 Cb -0.08 -2.86 0.08 0.00 0.00 0.00 0.00 23.12 20.26 1h43 s ALA 70 CO 0.51 -0.08 1.44 -1.00 0.00 0.00 0.00 175.76 176.62 1h43 h PRO 71 N 1.16 0.00 -0.53 0.00 0.13 -1.96 -3.46 132.00 127.34 1h43 h PRO 71 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1h43 h PRO 71 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1h43 h PRO 71 CO 0.63 0.72 -0.31 0.66 -0.23 0.00 0.00 178.00 179.47 1h43 n TYR 72 N -3.42 -0.23 -3.30 1.56 4.01 -1.18 -4.89 117.16 109.71 1h43 n TYR 72 Ca 0.00 0.66 -0.23 0.00 -0.16 0.00 0.00 57.90 58.17 1h43 n TYR 72 Cb 0.77 -0.54 0.05 0.00 -0.31 0.00 0.00 39.34 39.32 1h43 n TYR 72 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1h43 n LYS 73 N -4.19 -6.29 -2.52 -0.72 5.02 0.21 -4.84 118.16 104.83 1h43 n LYS 73 Ca 0.01 0.87 -0.31 0.00 -2.02 0.00 0.00 58.31 56.85 1h43 n LYS 73 Cb 0.14 -5.82 -0.03 0.00 -0.02 0.00 0.00 35.03 29.30 1h43 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h43 s LEU 74 N -6.99 3.66 0.06 -0.35 1.43 1.00 -3.71 118.68 113.79 1h43 s LEU 74 Ca 0.44 1.40 0.03 0.00 -1.03 0.00 0.00 54.13 54.97 1h43 s LEU 74 Cb -0.20 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 1h43 s LEU 74 CO 0.54 -0.54 -0.09 0.00 0.23 0.00 0.00 176.35 176.49 1h43 s ARG 75 N -4.09 0.66 0.24 1.70 1.70 0.12 -3.58 118.95 115.71 1h43 s ARG 75 Ca 0.56 -0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 54.61 1h43 s ARG 75 Cb -0.10 -0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 33.78 1h43 s ARG 75 CO 0.33 0.07 1.20 -1.25 -1.08 0.00 0.00 175.30 174.57 1h43 s PRO 76 N -2.03 4.50 -0.02 3.89 0.04 -1.26 -0.58 135.00 139.54 1h43 s PRO 76 Ca -0.04 1.93 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1h43 s PRO 76 Cb -0.07 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 1h43 s PRO 76 CO 0.00 -0.03 0.06 1.33 0.04 0.00 0.00 177.00 178.40 1h43 n VAL 77 N 1.81 0.14 -3.74 -0.36 0.24 0.55 -4.81 118.33 112.16 1h43 n VAL 77 Ca 0.02 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 1h43 n VAL 77 Cb 0.44 -0.20 -0.10 0.00 -1.47 0.00 0.00 33.84 32.51 1h43 n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h43 s ALA 78 N -2.22 -0.92 0.00 2.33 0.00 -1.19 -2.13 121.76 117.63 1h43 s ALA 78 Ca -0.02 0.97 0.04 0.00 0.00 0.00 0.00 51.96 52.95 1h43 s ALA 78 Cb 0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1h43 s ALA 78 CO 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 175.76 175.67 1h43 s ALA 79 N -0.02 2.94 0.51 0.00 0.00 0.15 0.08 121.76 125.42 1h43 s ALA 79 Ca -0.02 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 1h43 s ALA 79 Cb -0.03 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.95 1h43 s ALA 79 CO 0.01 0.60 1.13 -1.21 0.00 0.00 0.00 175.76 176.30 1h43 s GLU 80 N -1.37 3.53 -0.07 0.00 2.02 -0.61 -0.42 118.70 121.79 1h43 s GLU 80 Ca 0.16 1.64 0.02 0.00 0.02 0.00 0.00 54.97 56.82 1h43 s GLU 80 Cb -0.11 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1h43 s GLU 80 CO 0.07 -0.71 -0.12 0.08 0.02 0.00 0.00 175.26 174.60 1h43 s VAL 81 N -1.71 3.29 0.00 2.63 1.01 0.35 -4.66 120.40 121.32 1h43 s VAL 81 Ca 0.69 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1h43 s VAL 81 Cb -0.25 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1h43 s VAL 81 CO 0.29 0.59 0.00 -1.22 0.00 0.00 0.00 175.10 174.75 1h43 n TYR 82 N 2.42 -0.13 -1.98 5.22 4.01 0.61 -0.95 117.16 126.37 1h43 n TYR 82 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1h43 n TYR 82 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1h43 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h43 n GLY 83 N 5.00 0.31 3.32 2.72 0.00 -1.26 -2.22 105.19 113.06 1h43 n GLY 83 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 1h43 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h43 s THR 84 N 0.00 1.00 0.53 2.61 -4.23 -1.02 -4.88 115.64 109.65 1h43 s THR 84 Ca 0.00 -2.03 0.22 0.00 -1.18 0.00 0.00 61.69 58.70 1h43 s THR 84 Cb 0.00 -2.31 0.34 0.00 1.34 0.00 0.00 72.50 71.86 1h43 s THR 84 CO 0.00 -0.34 2.08 -0.33 -0.54 0.00 0.00 174.62 175.49 1h43 h GLU 85 N 2.50 0.00 0.51 3.99 5.08 -1.97 -1.72 114.58 122.98 1h43 h GLU 85 Ca -0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1h43 h GLU 85 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1h43 h GLU 85 CO 0.64 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 178.41 1h43 h ARG 86 N 0.00 -0.66 -3.28 2.33 -0.00 -1.98 -3.39 114.38 107.40 1h43 h ARG 86 Ca 0.12 0.05 -0.64 0.00 -0.50 0.00 0.00 59.98 59.00 1h43 h ARG 86 Cb 0.49 0.15 -0.41 0.00 0.00 0.00 0.00 29.97 30.20 1h43 h ARG 86 CO -0.00 -0.36 -0.55 -0.65 0.00 0.00 0.00 179.97 178.41 1h43 s GLN 87 N -4.51 2.30 0.43 0.04 -0.21 -0.72 -5.09 119.66 111.91 1h43 s GLN 87 Ca -0.13 -2.95 -0.22 0.00 0.02 0.00 0.00 55.36 52.08 1h43 s GLN 87 Cb 0.02 -3.44 -0.09 0.00 1.00 0.00 0.00 33.01 30.49 1h43 s GLN 87 CO 0.45 -1.19 1.01 -2.14 -2.12 0.00 0.00 175.29 171.30 1h43 s PRO 88 N -0.80 4.09 -0.12 2.91 0.02 -0.79 -2.43 135.00 137.88 1h43 s PRO 88 Ca 0.21 1.33 -0.11 0.00 0.02 0.00 0.00 61.00 62.45 1h43 s PRO 88 Cb -0.16 -2.31 0.03 0.00 0.02 0.00 0.00 34.50 32.09 1h43 s PRO 88 CO -0.08 -0.18 0.33 -0.98 -0.33 0.00 0.00 177.00 175.76 1h43 s ARG 89 N -2.91 0.39 -0.66 5.54 1.70 -0.94 -4.97 118.95 117.10 1h43 s ARG 89 Ca 0.62 0.44 -0.01 0.00 -0.47 0.00 0.00 55.73 56.30 1h43 s ARG 89 Cb -0.16 0.19 0.44 0.00 -0.57 0.00 0.00 34.95 34.85 1h43 s ARG 89 CO 0.20 -0.05 1.98 0.25 -1.08 0.00 0.00 175.30 176.60 1h43 n THR 90 N 2.86 3.55 -3.49 4.99 -2.24 -1.26 -0.28 114.28 118.41 1h43 n THR 90 Ca -0.13 -3.16 -0.12 0.00 -2.27 0.00 0.00 64.05 58.37 1h43 n THR 90 Cb 0.58 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 1h43 n THR 90 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1h43 s HIS 91 N -3.84 -0.46 0.26 4.78 0.00 -1.26 -2.28 115.29 112.50 1h43 s HIS 91 Ca 0.63 0.28 0.02 0.00 -3.00 0.00 0.00 55.06 52.98 1h43 s HIS 91 Cb 0.50 0.47 -0.04 0.00 -4.00 0.00 0.00 32.58 29.50 1h43 s HIS 91 CO -0.05 -0.79 0.14 1.52 -1.00 0.00 0.00 174.74 174.57 1h43 s TYR 92 N -3.53 1.47 -0.11 0.38 1.13 -0.43 -4.81 117.35 111.46 1h43 s TYR 92 Ca 0.00 -1.34 -0.02 0.00 -1.41 0.00 0.00 57.07 54.31 1h43 s TYR 92 Cb -0.00 -0.78 -0.03 0.00 -1.10 0.00 0.00 41.96 40.05 1h43 s TYR 92 CO -0.11 -0.52 -0.04 0.71 -2.51 0.00 0.00 175.55 173.08 1h43 s TYR 93 N -3.79 3.04 -0.22 -3.49 1.51 -1.26 -0.83 117.35 112.31 1h43 s TYR 93 Ca 0.37 -0.07 -0.22 0.00 -1.01 0.00 0.00 57.07 56.14 1h43 s TYR 93 Cb 0.06 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1h43 s TYR 93 CO 0.16 0.21 0.71 0.00 -1.11 0.00 0.00 175.55 175.52 1h43 s ALA 94 N -0.32 3.59 0.26 3.71 0.00 -0.28 -2.20 121.76 126.51 1h43 s ALA 94 Ca 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.82 1h43 s ALA 94 Cb -0.12 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1h43 s ALA 94 CO 0.02 -0.74 -0.02 0.14 0.00 0.00 0.00 175.76 175.17 1h43 s VAL 95 N 2.36 1.25 -0.24 0.00 -7.23 -0.13 -0.56 120.40 115.84 1h43 s VAL 95 Ca 0.31 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1h43 s VAL 95 Cb -0.16 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.40 1h43 s VAL 95 CO 0.09 -0.29 -0.11 0.00 -0.31 0.00 0.00 175.10 174.49 1h43 s ALA 96 N -3.27 2.56 -0.15 1.32 0.00 -1.26 -2.19 121.76 118.77 1h43 s ALA 96 Ca 0.29 -1.57 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 1h43 s ALA 96 Cb 0.05 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1h43 s ALA 96 CO 0.10 -0.92 0.11 0.08 0.00 0.00 0.00 175.76 175.14 1h43 s VAL 97 N 1.21 5.26 0.13 0.00 1.01 0.17 -1.19 120.40 127.00 1h43 s VAL 97 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1h43 s VAL 97 Cb -0.18 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1h43 s VAL 97 CO -0.06 0.55 0.04 0.68 0.00 0.00 0.00 175.10 176.30 1h43 s VAL 98 N -0.45 0.21 0.35 2.92 -7.23 -0.15 -0.70 120.40 115.35 1h43 s VAL 98 Ca 0.11 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 58.10 1h43 s VAL 98 Cb -0.12 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 1h43 s VAL 98 CO 0.02 -0.50 1.08 -0.54 -0.31 0.00 0.00 175.10 174.85 1h43 s LYS 99 N -4.02 4.35 0.43 4.82 -0.14 -1.26 -0.22 119.74 123.70 1h43 s LYS 99 Ca 0.23 1.67 -0.24 0.00 -1.36 0.00 0.00 55.97 56.27 1h43 s LYS 99 Cb 0.07 -2.83 -0.08 0.00 -1.68 0.00 0.00 37.83 33.32 1h43 s LYS 99 CO 0.01 -0.02 1.21 0.21 -0.76 0.00 0.00 175.35 176.01 1h43 s LYS 100 N -2.03 3.89 0.00 1.68 2.20 -0.19 -3.62 119.74 121.66 1h43 s LYS 100 Ca 0.52 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 1h43 s LYS 100 Cb -0.27 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1h43 s LYS 100 CO 0.34 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1h43 n GLY 101 N 0.59 2.49 3.70 5.54 0.00 -1.26 -4.94 105.19 111.32 1h43 n GLY 101 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1h43 n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h43 s GLY 102 N -2.39 1.57 -0.00 -0.02 0.00 -1.24 -4.99 107.32 100.25 1h43 s GLY 102 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1h43 s GLY 102 CO 0.00 0.19 0.07 -1.14 0.00 0.00 0.00 173.10 172.22 1h43 n SER 103 N -4.08 1.61 -4.77 1.64 3.41 -1.26 -5.04 113.62 105.14 1h43 n SER 103 Ca 0.05 -0.36 -0.40 0.00 -0.26 0.00 0.00 58.87 57.91 1h43 n SER 103 Cb 0.58 1.03 -0.01 0.00 -0.26 0.00 0.00 64.21 65.54 1h43 n SER 103 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1h43 s PHE 104 N -1.50 2.97 0.57 7.33 -0.12 -1.26 -5.04 117.98 120.93 1h43 s PHE 104 Ca 0.00 1.44 0.06 0.00 -0.05 0.00 0.00 56.93 58.38 1h43 s PHE 104 Cb 0.01 -3.63 0.06 0.00 -0.63 0.00 0.00 43.02 38.83 1h43 s PHE 104 CO 0.08 -1.85 0.47 -0.65 -0.05 0.00 0.00 175.22 173.21 1h43 s GLN 105 N -2.03 2.23 0.54 1.99 -1.52 -1.26 -4.99 119.66 114.63 1h43 s GLN 105 Ca 0.53 -2.02 0.24 0.00 -1.95 0.00 0.00 55.36 52.15 1h43 s GLN 105 Cb -0.38 -2.15 1.43 0.00 -0.22 0.00 0.00 33.01 31.69 1h43 s GLN 105 CO 0.49 -0.71 2.06 1.25 -0.25 0.00 0.00 175.29 178.13 1h43 h LEU 106 N 0.62 0.00 -0.67 2.90 5.85 -1.89 -1.22 115.31 120.89 1h43 h LEU 106 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1h43 h LEU 106 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1h43 h LEU 106 CO 0.54 0.00 -0.04 -0.46 -0.34 0.00 0.00 178.44 178.14 1h43 n ASN 107 N -4.27 1.08 -2.60 1.25 2.04 -1.26 -4.17 115.26 107.33 1h43 n ASN 107 Ca 0.04 -1.24 -0.25 0.00 -0.44 0.00 0.00 54.58 52.69 1h43 n ASN 107 Cb 0.40 0.01 -0.01 0.00 -2.53 0.00 0.00 39.78 37.65 1h43 n ASN 107 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1h43 n GLU 108 N -0.24 3.17 0.00 -3.83 1.02 -0.46 -4.78 120.64 115.52 1h43 n GLU 108 Ca 0.18 -4.47 0.10 0.00 -0.02 0.00 0.00 57.16 52.96 1h43 n GLU 108 Cb 0.31 -2.16 -0.02 0.00 -0.02 0.00 0.00 31.44 29.54 1h43 n GLU 108 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1h43 n LEU 109 N -0.39 1.78 -4.67 -4.62 4.77 -1.26 -4.63 117.00 107.98 1h43 n LEU 109 Ca 0.35 -0.72 -0.46 0.00 -0.03 0.00 0.00 56.01 55.16 1h43 n LEU 109 Cb 0.62 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1h43 n LEU 109 CO 0.33 0.34 1.19 1.67 -1.33 0.00 0.00 177.39 179.59 1h43 n GLN 110 N -0.29 2.18 -0.41 3.23 7.27 -1.26 -1.84 117.38 126.26 1h43 n GLN 110 Ca 0.08 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.93 1h43 n GLN 110 Cb 0.42 -2.55 0.00 0.00 2.41 0.00 0.00 30.24 30.52 1h43 n GLN 110 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1h43 n GLY 111 N 3.33 1.56 3.91 1.69 0.00 0.10 -4.97 105.19 110.81 1h43 n GLY 111 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1h43 n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h43 n LEU 112 N 0.00 0.00 -4.65 0.99 4.77 -0.77 -3.69 117.00 113.65 1h43 n LEU 112 Ca 0.00 -1.92 -0.35 0.00 -0.03 0.00 0.00 56.01 53.71 1h43 n LEU 112 Cb 0.00 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.22 1h43 n LEU 112 CO 0.00 -1.14 -0.30 -0.54 -1.33 0.00 0.00 177.39 174.08 1h43 s LYS 113 N -5.38 3.34 0.17 3.23 1.02 -1.26 -0.48 119.74 120.38 1h43 s LYS 113 Ca 0.70 -0.40 0.09 0.00 0.02 0.00 0.00 55.97 56.38 1h43 s LYS 113 Cb -0.03 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 1h43 s LYS 113 CO 0.47 0.53 -0.20 -1.54 -0.92 0.00 0.00 175.35 173.69 1h43 s SER 114 N -0.39 2.88 -0.14 2.83 1.04 -0.67 -0.71 113.70 118.54 1h43 s SER 114 Ca 0.08 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.67 1h43 s SER 114 Cb -0.12 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.83 1h43 s SER 114 CO 0.02 0.01 -0.18 0.00 0.98 0.00 0.00 173.24 174.08 1h43 s HIS 116 N 1.10 2.23 0.37 0.00 3.76 -0.57 -1.76 115.29 120.42 1h43 s HIS 116 Ca -0.02 -0.38 0.10 0.00 -0.15 0.00 0.00 55.06 54.60 1h43 s HIS 116 Cb -0.14 -1.19 0.73 0.00 1.11 0.00 0.00 32.58 33.08 1h43 s HIS 116 CO -0.06 0.35 1.87 1.79 -0.85 0.00 0.00 174.74 177.84 1h43 h THR 117 N 3.79 1.21 0.00 1.30 1.35 -1.74 -3.41 112.91 115.42 1h43 h THR 117 Ca -0.50 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 1h43 h THR 117 Cb 1.18 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1h43 h THR 117 CO 0.41 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 1h43 n GLY 118 N -0.68 3.22 3.73 5.82 0.00 -1.26 -1.48 105.19 114.53 1h43 n GLY 118 Ca -0.01 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1h43 n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1h43 s LEU 119 N 0.00 4.37 0.00 0.99 2.96 0.38 -2.79 118.68 124.59 1h43 s LEU 119 Ca 0.00 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 1h43 s LEU 119 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1h43 s LEU 119 CO 0.00 -0.85 0.00 0.54 -1.32 0.00 0.00 176.35 174.72 1h43 n ARG 120 N 3.51 -0.59 -2.85 1.98 5.12 -1.26 -4.99 116.66 117.58 1h43 n ARG 120 Ca 0.12 0.15 -0.27 0.00 -1.93 0.00 0.00 57.85 55.92 1h43 n ARG 120 Cb 0.38 -3.61 -0.01 0.00 -1.16 0.00 0.00 32.46 28.06 1h43 n ARG 120 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1h43 s ARG 121 N -0.62 3.58 0.00 5.56 0.52 -1.12 -4.32 118.95 122.55 1h43 s ARG 121 Ca 0.00 0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.32 1h43 s ARG 121 Cb 0.00 -2.45 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1h43 s ARG 121 CO 0.00 -0.08 0.89 1.15 0.02 0.00 0.00 175.30 177.28 1h43 h THR 122 N 0.56 0.00 -0.13 0.02 2.02 -1.93 0.12 112.91 113.58 1h43 h THR 122 Ca -0.47 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 1h43 h THR 122 Cb 1.20 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1h43 h THR 122 CO 0.62 0.00 -0.46 0.00 0.37 0.00 0.00 175.52 176.05 1h43 h ALA 123 N -1.92 0.97 0.00 6.16 0.00 -1.91 -1.27 119.26 121.30 1h43 h ALA 123 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1h43 h ALA 123 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1h43 h ALA 123 CO 0.02 0.64 -0.30 0.78 0.00 0.00 0.00 179.25 180.39 1h43 h GLY 124 N 1.24 0.00 0.00 0.00 0.00 -1.68 -3.39 103.07 99.24 1h43 h GLY 124 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1h43 h GLY 124 CO 0.08 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.49 1h43 n TRP 125 N -2.40 -2.65 -0.07 5.60 -0.00 -0.53 -4.24 117.44 113.15 1h43 n TRP 125 Ca 0.04 0.59 -0.07 0.00 -0.00 0.00 0.00 57.50 58.06 1h43 n TRP 125 Cb 0.46 1.18 -0.01 0.00 -0.00 0.00 0.00 31.31 32.94 1h43 n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1h43 h ASN 126 N 0.00 -0.52 0.08 5.87 -0.26 -0.75 -1.20 115.58 118.80 1h43 h ASN 126 Ca 0.00 0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1h43 h ASN 126 Cb 0.00 0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1h43 h ASN 126 CO 0.00 -0.19 -0.04 0.58 -1.06 0.00 0.00 177.43 176.72 1h43 h VAL 127 N -0.12 1.14 0.18 2.81 2.07 -1.46 -1.96 116.25 118.90 1h43 h VAL 127 Ca 0.15 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1h43 h VAL 127 Cb 0.35 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1h43 h VAL 127 CO -0.36 0.20 -0.27 -0.65 0.02 0.00 0.00 177.57 176.51 1h43 h PRO 128 N -0.48 -0.49 -0.49 1.57 0.11 -1.75 0.85 132.00 131.32 1h43 h PRO 128 Ca -0.01 0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1h43 h PRO 128 Cb 0.41 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1h43 h PRO 128 CO 0.02 -0.33 0.10 0.82 -0.21 0.00 0.00 178.00 178.40 1h43 h ILE 129 N -0.51 1.22 -0.67 4.15 5.03 -1.33 -0.26 117.51 125.13 1h43 h ILE 129 Ca 0.01 -0.80 -0.04 0.00 -0.12 0.00 0.00 64.86 63.91 1h43 h ILE 129 Cb 0.51 0.74 -0.03 0.00 -3.03 0.00 0.00 36.82 35.01 1h43 h ILE 129 CO -0.12 0.29 0.25 1.23 -0.68 0.00 0.00 178.15 179.13 1h43 h GLY 130 N 0.93 1.07 1.03 5.37 0.00 -0.96 -1.14 103.07 109.36 1h43 h GLY 130 Ca 0.16 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 1h43 h GLY 130 CO 0.00 0.54 -0.33 -0.84 0.00 0.00 0.00 176.54 175.91 1h43 h THR 131 N 0.97 1.29 -0.00 4.70 2.02 -0.01 -3.13 112.91 118.75 1h43 h THR 131 Ca 0.22 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1h43 h THR 131 Cb 0.21 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1h43 h THR 131 CO -0.02 0.49 -0.00 0.18 0.37 0.00 0.00 175.52 176.54 1h43 n LEU 132 N -4.19 0.13 -0.26 2.58 4.77 -0.19 -4.40 117.00 115.44 1h43 n LEU 132 Ca -0.03 -0.03 -0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1h43 n LEU 132 Cb 0.50 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1h43 n LEU 132 CO 0.46 0.02 0.68 -0.09 -1.33 0.00 0.00 177.39 177.13 1h43 h ARG 133 N 0.20 -0.04 0.00 3.23 1.12 -1.16 0.92 114.38 118.66 1h43 h ARG 133 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1h43 h ARG 133 Cb 0.05 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 1h43 h ARG 133 CO 0.00 -0.03 0.00 -0.35 -3.11 0.00 0.00 179.97 176.48 1h43 n PRO 134 N -5.48 0.09 0.00 0.20 -0.04 -1.26 -1.41 135.00 127.09 1h43 n PRO 134 Ca 0.09 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 64.19 1h43 n PRO 134 Cb 0.38 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 31.97 1h43 n PRO 134 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h43 n PHE 135 N -1.98 0.00 0.26 0.54 3.01 0.28 -4.55 117.46 115.02 1h43 n PHE 135 Ca -0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.60 1h43 n PHE 135 Cb 0.04 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 39.94 1h43 n PHE 135 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1h43 h LEU 136 N 0.19 0.00 -1.69 4.37 3.38 -0.81 -3.47 115.31 117.28 1h43 h LEU 136 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1h43 h LEU 136 Cb 0.41 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.21 1h43 h LEU 136 CO 0.00 0.00 -0.82 -3.20 0.09 0.00 0.00 178.44 174.51 1h43 n ASN 137 N -3.07 -1.61 -4.63 -0.43 2.85 -1.26 -4.88 115.26 102.23 1h43 n ASN 137 Ca 0.02 -0.79 -0.37 0.00 -0.11 0.00 0.00 54.58 53.33 1h43 n ASN 137 Cb 0.41 -4.15 -0.10 0.00 1.24 0.00 0.00 39.78 37.18 1h43 n ASN 137 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1h43 s TRP 138 N -3.61 3.28 0.23 1.20 -0.00 -1.26 -4.98 118.94 113.80 1h43 s TRP 138 Ca 0.07 0.20 0.01 0.00 -0.00 0.00 0.00 56.10 56.38 1h43 s TRP 138 Cb -0.03 -2.33 0.24 0.00 -0.00 0.00 0.00 33.47 31.35 1h43 s TRP 138 CO 0.80 -0.03 1.58 1.79 -0.00 0.00 0.00 176.95 181.09 1h43 h THR 139 N 5.17 1.33 0.00 5.86 1.35 -1.95 -3.50 112.91 121.18 1h43 h THR 139 Ca -0.37 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 1h43 h THR 139 Cb 1.18 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1h43 h THR 139 CO 0.62 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 177.03 1h43 n GLY 140 N 0.11 -0.44 3.47 5.82 0.00 -1.26 -5.04 105.19 107.85 1h43 n GLY 140 Ca -0.02 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 1h43 n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h43 n PRO 141 N -0.57 0.37 -0.08 1.61 -0.02 -1.26 -1.80 135.00 133.26 1h43 n PRO 141 Ca 0.00 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1h43 n PRO 141 Cb 0.00 -1.82 0.04 0.00 -0.02 0.00 0.00 33.50 31.70 1h43 n PRO 141 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1h43 n PRO 142 N -0.61 1.36 -2.75 0.52 -0.04 -1.26 -5.08 135.00 127.14 1h43 n PRO 142 Ca 0.11 -0.34 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 1h43 n PRO 142 Cb 0.49 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1h43 n PRO 142 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1h43 s GLU 143 N -1.43 4.31 0.30 0.54 2.12 -0.74 -5.00 118.70 118.79 1h43 s GLU 143 Ca 0.06 1.23 -0.29 0.00 0.36 0.00 0.00 54.97 56.33 1h43 s GLU 143 Cb 0.04 -3.59 -0.11 0.00 0.26 0.00 0.00 34.13 30.73 1h43 s GLU 143 CO 0.02 -0.44 1.47 -1.25 -0.54 0.00 0.00 175.26 174.53 1h43 s PRO 144 N 2.52 4.21 0.55 4.30 0.04 -1.26 -4.70 135.00 140.65 1h43 s PRO 144 Ca 0.43 2.42 0.25 0.00 0.04 0.00 0.00 61.00 64.14 1h43 s PRO 144 Cb -0.16 -3.05 1.47 0.00 0.04 0.00 0.00 34.50 32.79 1h43 s PRO 144 CO 0.11 -0.47 2.05 0.97 0.04 0.00 0.00 177.00 179.70 1h43 h ILE 145 N 3.31 0.67 -0.29 0.56 6.09 -1.96 -1.26 117.51 124.63 1h43 h ILE 145 Ca -0.48 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 62.99 1h43 h ILE 145 Cb 1.22 0.80 -0.02 0.00 0.47 0.00 0.00 36.82 39.30 1h43 h ILE 145 CO 0.74 0.00 0.08 -0.33 -3.07 0.00 0.00 178.15 175.57 1h43 h GLU 146 N 0.00 0.40 -0.50 2.19 3.07 -1.99 -1.99 114.58 115.77 1h43 h GLU 146 Ca 0.16 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 1h43 h GLU 146 Cb 0.69 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1h43 h GLU 146 CO -0.00 0.37 -0.07 0.00 -1.40 0.00 0.00 179.01 177.90 1h43 h ALA 147 N 1.69 0.93 -0.21 3.43 0.00 -1.59 0.29 119.26 123.81 1h43 h ALA 147 Ca 0.10 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1h43 h ALA 147 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h43 h ALA 147 CO -0.01 0.63 -0.45 0.00 0.00 0.00 0.00 179.25 179.42 1h43 h ALA 148 N 1.10 0.83 0.01 0.00 0.00 -1.49 -2.72 119.26 116.99 1h43 h ALA 148 Ca 0.14 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 1h43 h ALA 148 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1h43 h ALA 148 CO 0.04 0.66 -0.92 0.28 0.00 0.00 0.00 179.25 179.30 1h43 h VAL 149 N 0.42 1.47 -0.30 0.00 2.07 -1.10 -2.95 116.25 115.86 1h43 h VAL 149 Ca 0.03 -2.62 -0.02 0.00 0.82 0.00 0.00 66.70 64.91 1h43 h VAL 149 Cb 0.96 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 1h43 h VAL 149 CO 0.09 0.77 0.10 0.00 0.02 0.00 0.00 177.57 178.55 1h43 h ALA 150 N 0.88 1.62 -0.59 1.67 0.00 -0.25 -1.63 119.26 120.97 1h43 h ALA 150 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1h43 h ALA 150 Cb 1.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1h43 h ALA 150 CO 0.15 0.30 0.00 2.89 0.00 0.00 0.00 179.25 182.58 1h43 n ARG 151 N -4.40 2.50 -0.10 0.00 1.85 -1.04 -4.31 116.66 111.15 1h43 n ARG 151 Ca 0.01 -2.31 -0.15 0.00 -1.00 0.00 0.00 57.85 54.41 1h43 n ARG 151 Cb 0.14 -1.51 -0.05 0.00 -1.05 0.00 0.00 32.46 29.99 1h43 n ARG 151 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1h43 n PHE 152 N 1.40 0.13 -2.94 2.89 7.35 -0.67 -4.93 117.46 120.69 1h43 n PHE 152 Ca 0.21 0.06 -0.35 0.00 -0.76 0.00 0.00 57.45 56.61 1h43 n PHE 152 Cb 0.56 -0.68 -0.06 0.00 0.35 0.00 0.00 39.48 39.64 1h43 n PHE 152 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1h43 s PHE 153 N -2.72 3.54 0.08 -5.13 0.08 -0.83 -0.72 117.98 112.28 1h43 s PHE 153 Ca -0.30 1.54 -0.19 0.00 0.12 0.00 0.00 56.93 58.10 1h43 s PHE 153 Cb 0.07 -2.76 -0.09 0.00 -0.57 0.00 0.00 43.02 39.67 1h43 s PHE 153 CO 0.43 0.15 1.52 1.03 -0.10 0.00 0.00 175.22 178.25 1h43 h SER 154 N 2.78 0.41 -4.68 1.36 0.87 -0.86 -3.45 113.55 109.97 1h43 h SER 154 Ca -0.48 -0.30 0.03 0.00 -1.23 0.00 0.00 61.79 59.81 1h43 h SER 154 Cb 1.19 -0.11 -0.18 0.00 -0.44 0.00 0.00 62.40 62.86 1h43 h SER 154 CO 0.64 0.61 0.36 0.00 -0.53 0.00 0.00 176.83 177.92 1h43 s ALA 155 N -5.01 -1.79 0.28 6.23 0.00 -1.25 -4.96 121.76 115.26 1h43 s ALA 155 Ca -0.14 1.14 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 1h43 s ALA 155 Cb 0.07 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.36 1h43 s ALA 155 CO 0.74 -0.52 0.91 -1.54 0.00 0.00 0.00 175.76 175.35 1h43 s SER 156 N -1.82 -0.02 -0.22 0.00 1.04 -0.44 -1.68 113.70 110.56 1h43 s SER 156 Ca -0.02 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1h43 s SER 156 Cb -0.01 0.67 0.05 0.00 0.10 0.00 0.00 66.02 66.84 1h43 s SER 156 CO -0.02 -1.33 -0.10 0.00 0.98 0.00 0.00 173.24 172.78 1h43 s VAL 158 N 1.31 1.70 0.22 0.00 1.01 0.30 -1.51 120.40 123.42 1h43 s VAL 158 Ca -0.04 -3.06 -0.32 0.00 0.00 0.00 0.00 61.98 58.56 1h43 s VAL 158 Cb -0.18 -2.16 -0.14 0.00 0.00 0.00 0.00 36.38 33.90 1h43 s VAL 158 CO -0.07 -0.97 1.34 -0.81 0.00 0.00 0.00 175.10 174.59 1h43 n PRO 159 N 3.01 1.77 0.00 2.72 -0.04 -1.26 -1.65 135.00 139.55 1h43 n PRO 159 Ca 0.14 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1h43 n PRO 159 Cb 0.37 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1h43 n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h43 n GLY 160 N 2.13 3.37 3.76 0.55 0.00 -0.35 -0.47 105.19 114.19 1h43 n GLY 160 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1h43 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h43 s ALA 161 N -2.93 2.63 -0.61 4.61 0.00 -0.66 -4.92 121.76 119.88 1h43 s ALA 161 Ca 0.00 0.95 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 1h43 s ALA 161 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1h43 s ALA 161 CO 0.00 -1.00 1.60 0.34 0.00 0.00 0.00 175.76 176.70 1h43 s ASP 162 N -1.63 5.75 0.56 0.00 -1.08 -1.26 -4.86 116.67 114.15 1h43 s ASP 162 Ca 0.75 0.18 0.28 0.00 -0.52 0.00 0.00 52.55 53.24 1h43 s ASP 162 Cb -0.28 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.11 1h43 s ASP 162 CO 0.31 -2.03 1.96 0.50 0.52 0.00 0.00 175.17 176.43 1h43 h LYS 163 N 12.60 0.00 0.14 4.34 3.11 -1.91 -0.10 116.57 134.75 1h43 h LYS 163 Ca -0.27 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.29 1h43 h LYS 163 Cb 1.12 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.36 1h43 h LYS 163 CO 1.21 0.00 -1.25 0.78 -2.81 0.00 0.00 179.45 177.38 1h43 h GLY 164 N 0.00 0.44 1.00 5.01 0.00 -1.96 -2.95 103.07 104.61 1h43 h GLY 164 Ca 0.24 -1.04 -0.33 0.00 0.00 0.00 0.00 47.33 46.21 1h43 h GLY 164 CO -0.00 0.91 -1.71 1.46 0.00 0.00 0.00 176.54 177.20 1h43 h GLN 165 N 0.13 0.26 -2.12 4.80 1.08 -1.82 -3.41 115.11 114.04 1h43 h GLN 165 Ca -0.16 -0.44 -0.58 0.00 -1.45 0.00 0.00 58.65 56.03 1h43 h GLN 165 Cb 1.95 0.16 -0.41 0.00 -0.05 0.00 0.00 27.48 29.13 1h43 h GLN 165 CO 0.22 1.11 -0.82 1.19 -0.95 0.00 0.00 178.83 179.58 1h43 n PHE 166 N -3.44 2.09 -0.29 2.96 3.72 -0.11 -4.98 117.46 117.40 1h43 n PHE 166 Ca -0.22 -3.91 0.11 0.00 -0.05 0.00 0.00 57.45 53.38 1h43 n PHE 166 Cb 1.05 -0.47 0.25 0.00 -0.94 0.00 0.00 39.48 39.37 1h43 n PHE 166 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1h43 h PRO 167 N 3.86 0.13 0.00 -1.08 0.11 -1.71 -1.17 132.00 132.16 1h43 h PRO 167 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1h43 h PRO 167 Cb 0.74 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1h43 h PRO 167 CO 0.68 0.09 0.00 0.27 -0.21 0.00 0.00 178.00 178.83 1h43 n ASN 168 N -5.31 0.32 0.00 -2.05 0.23 -1.26 -2.20 115.26 104.99 1h43 n ASN 168 Ca 0.19 0.56 0.12 0.00 -0.53 0.00 0.00 54.58 54.91 1h43 n ASN 168 Cb 0.63 -0.63 0.53 0.00 -2.08 0.00 0.00 39.78 38.23 1h43 n ASN 168 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1h43 n LEU 169 N -1.83 0.00 -0.00 -4.53 4.77 -0.44 -1.33 117.00 113.64 1h43 n LEU 169 Ca 0.04 0.46 0.01 0.00 -0.03 0.00 0.00 56.01 56.50 1h43 n LEU 169 Cb 0.27 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1h43 n LEU 169 CO 0.21 -0.08 -0.10 0.00 -1.33 0.00 0.00 177.39 176.09 1h43 h ARG 171 N 0.00 0.37 -0.00 0.00 9.65 -1.30 -2.11 114.38 120.99 1h43 h ARG 171 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1h43 h ARG 171 Cb 0.08 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1h43 h ARG 171 CO 0.00 0.24 -0.43 1.28 2.80 0.00 0.00 179.97 183.87 1h43 n LEU 172 N -4.60 0.71 -4.75 3.80 4.77 -0.87 -4.94 117.00 111.12 1h43 n LEU 172 Ca 0.25 -0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 1h43 n LEU 172 Cb 0.88 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.81 1h43 n LEU 172 CO 0.26 0.15 0.85 0.00 -1.33 0.00 0.00 177.39 177.33 1h43 n ALA 174 N -1.64 3.05 -1.06 0.00 0.00 -1.26 -4.87 120.51 114.73 1h43 n ALA 174 Ca 0.14 -1.98 -0.32 0.00 0.00 0.00 0.00 53.44 51.28 1h43 n ALA 174 Cb 0.49 -0.78 0.12 0.00 0.00 0.00 0.00 19.45 19.28 1h43 n ALA 174 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1h43 s GLY 175 N -1.47 1.83 -0.21 0.00 0.00 -1.26 -4.69 107.32 101.52 1h43 s GLY 175 Ca 0.43 0.52 -0.13 0.00 0.00 0.00 0.00 44.72 45.54 1h43 s GLY 175 CO 0.13 0.91 0.28 -1.08 0.00 0.00 0.00 173.10 173.35 1h43 s THR 176 N -2.61 5.28 0.00 0.90 -1.32 -1.26 -4.24 115.64 112.39 1h43 s THR 176 Ca 0.66 0.47 0.00 0.00 -1.21 0.00 0.00 61.69 61.61 1h43 s THR 176 Cb -0.22 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.15 1h43 s THR 176 CO 0.54 0.31 0.00 0.61 -2.21 0.00 0.00 174.62 173.87 1h43 n GLY 177 N 4.00 3.33 0.02 6.08 0.00 -1.26 -1.12 105.19 116.24 1h43 n GLY 177 Ca -0.12 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1h43 n GLY 177 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h43 n GLU 178 N 10.96 0.04 -0.04 1.61 4.07 -1.26 -2.90 120.64 133.12 1h43 n GLU 178 Ca 0.00 0.12 0.12 0.00 -0.06 0.00 0.00 57.16 57.34 1h43 n GLU 178 Cb 0.00 -1.55 0.44 0.00 -0.06 0.00 0.00 31.44 30.27 1h43 n GLU 178 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1h43 n ASN 179 N -1.62 1.66 -4.74 4.31 3.02 -0.28 -4.80 115.26 112.81 1h43 n ASN 179 Ca 0.06 -1.61 -0.41 0.00 -0.03 0.00 0.00 54.58 52.58 1h43 n ASN 179 Cb 0.29 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1h43 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1h43 s LYS 180 N -1.90 4.36 -1.04 3.52 2.20 -1.14 -2.27 119.74 123.46 1h43 s LYS 180 Ca 0.35 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1h43 s LYS 180 Cb 0.20 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1h43 s LYS 180 CO 0.30 -0.30 0.00 0.00 -0.36 0.00 0.00 175.35 174.99 1h43 s ALA 182 N -2.21 2.77 -1.21 0.00 0.00 -0.96 -1.21 121.76 118.94 1h43 s ALA 182 Ca 0.00 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 1h43 s ALA 182 Cb 0.00 -3.30 0.21 0.00 0.00 0.00 0.00 23.12 20.03 1h43 s ALA 182 CO 0.00 -0.59 1.79 0.34 0.00 0.00 0.00 175.76 177.29 1h43 n PHE 183 N -1.25 2.67 -3.62 0.00 -0.00 -1.26 -4.26 117.46 109.72 1h43 n PHE 183 Ca 0.10 -2.71 0.01 0.00 -0.00 0.00 0.00 57.45 54.86 1h43 n PHE 183 Cb 0.52 -1.70 -0.01 0.00 -0.00 0.00 0.00 39.48 38.30 1h43 n PHE 183 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1h43 s SER 184 N -0.10 -0.07 0.00 -2.13 1.04 -1.26 -4.98 113.70 106.21 1h43 s SER 184 Ca 0.38 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.69 1h43 s SER 184 Cb 0.09 0.18 0.12 0.00 0.10 0.00 0.00 66.02 66.50 1h43 s SER 184 CO 0.03 -0.32 0.95 -1.54 0.98 0.00 0.00 173.24 173.34 1h43 n SER 185 N -0.47 0.00 0.21 7.02 3.41 -1.26 -1.26 113.62 121.27 1h43 n SER 185 Ca -0.08 0.33 0.15 0.00 -0.26 0.00 0.00 58.87 59.01 1h43 n SER 185 Cb 0.63 -0.35 0.59 0.00 -0.26 0.00 0.00 64.21 64.81 1h43 n SER 185 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1h43 h GLN 186 N 0.00 0.00 -4.82 4.33 1.08 -1.91 -3.38 115.11 110.41 1h43 h GLN 186 Ca 0.00 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.54 1h43 h GLN 186 Cb 0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.26 1h43 h GLN 186 CO 0.00 0.00 -0.53 -2.00 -0.95 0.00 0.00 178.83 175.35 1h43 s GLU 187 N -3.50 3.62 0.56 1.46 2.56 -0.39 -4.60 118.70 118.42 1h43 s GLU 187 Ca 0.03 -0.54 0.24 0.00 0.00 0.00 0.00 54.97 54.70 1h43 s GLU 187 Cb 0.09 -3.65 1.52 0.00 2.00 0.00 0.00 34.13 34.09 1h43 s GLU 187 CO 0.48 -0.32 2.13 -1.35 -0.56 0.00 0.00 175.26 175.64 1h43 h PRO 188 N 8.39 0.00 -0.69 4.30 0.11 -1.84 -2.24 132.00 140.03 1h43 h PRO 188 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1h43 h PRO 188 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1h43 h PRO 188 CO 0.60 0.00 0.03 0.66 -0.21 0.00 0.00 178.00 179.08 1h43 n TYR 189 N -4.16 1.68 -3.08 0.65 4.01 -1.26 -4.23 117.16 110.77 1h43 n TYR 189 Ca 0.01 -0.62 -0.35 0.00 -0.16 0.00 0.00 57.90 56.78 1h43 n TYR 189 Cb 0.24 -0.45 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1h43 n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1h43 s PHE 190 N -2.39 3.54 0.14 -0.72 5.36 -0.84 -2.96 117.98 120.11 1h43 s PHE 190 Ca 0.43 1.37 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 1h43 s PHE 190 Cb 0.33 -2.62 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1h43 s PHE 190 CO 0.12 0.22 0.00 0.45 -1.46 0.00 0.00 175.22 174.55 1h43 n SER 191 N 0.26 -5.00 -0.02 6.13 2.88 -0.55 -1.95 113.62 115.38 1h43 n SER 191 Ca 0.01 0.64 -0.11 0.00 -1.33 0.00 0.00 58.87 58.07 1h43 n SER 191 Cb 0.52 -1.80 -0.05 0.00 -0.75 0.00 0.00 64.21 62.13 1h43 n SER 191 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1h43 h TYR 192 N -0.55 -1.08 -0.65 0.66 0.05 -1.93 0.62 116.97 114.10 1h43 h TYR 192 Ca 0.01 0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 1h43 h TYR 192 Cb 0.54 0.50 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 1h43 h TYR 192 CO 0.00 -0.44 0.15 0.77 -1.05 0.00 0.00 178.16 177.58 1h43 h SER 193 N -0.43 0.97 -0.29 3.88 0.02 -1.96 -1.84 113.55 113.91 1h43 h SER 193 Ca 0.10 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1h43 h SER 193 Cb 0.59 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1h43 h SER 193 CO -0.41 0.95 0.17 1.23 -1.14 0.00 0.00 176.83 177.63 1h43 h GLY 194 N 1.05 0.41 1.22 -3.77 0.00 -0.80 -0.04 103.07 101.14 1h43 h GLY 194 Ca 0.20 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1h43 h GLY 194 CO 0.00 0.17 0.12 0.00 0.00 0.00 0.00 176.54 176.83 1h43 h ALA 195 N 1.07 1.07 -0.20 3.60 0.00 -0.73 -1.86 119.26 122.20 1h43 h ALA 195 Ca 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1h43 h ALA 195 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1h43 h ALA 195 CO -0.02 0.61 -0.29 0.35 0.00 0.00 0.00 179.25 179.90 1h43 h PHE 196 N 0.92 0.44 -0.07 0.00 3.57 -1.04 -2.48 116.94 118.27 1h43 h PHE 196 Ca 0.19 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 1h43 h PHE 196 Cb 0.37 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1h43 h PHE 196 CO 0.02 0.65 -0.45 -0.22 -2.23 0.00 0.00 178.31 176.08 1h43 h LYS 197 N 0.34 0.18 0.00 1.11 3.64 -0.56 -1.35 116.57 119.93 1h43 h LYS 197 Ca 0.05 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1h43 h LYS 197 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1h43 h LYS 197 CO 0.05 0.60 -0.19 0.00 -2.27 0.00 0.00 179.45 177.64 1h43 h LEU 199 N 0.00 0.06 -0.76 0.00 5.85 -1.21 -2.07 115.31 117.18 1h43 h LEU 199 Ca -0.00 -0.84 0.11 0.00 0.84 0.00 0.00 57.88 57.99 1h43 h LEU 199 Cb 0.37 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 1h43 h LEU 199 CO 0.02 1.22 0.38 0.03 -0.34 0.00 0.00 178.44 179.75 1h43 h ARG 200 N -0.91 0.61 0.00 1.25 3.08 -1.05 0.44 114.38 117.80 1h43 h ARG 200 Ca -0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1h43 h ARG 200 Cb 1.19 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1h43 h ARG 200 CO -0.05 0.40 0.00 -0.25 -1.07 0.00 0.00 179.97 179.00 1h43 n ASP 201 N -4.85 0.51 0.00 7.04 8.00 -0.29 -4.88 116.55 122.08 1h43 n ASP 201 Ca 0.13 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.25 1h43 n ASP 201 Cb 0.31 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1h43 n ASP 201 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h43 n GLY 202 N 0.02 0.72 0.30 0.44 0.00 0.14 -4.96 105.19 101.85 1h43 n GLY 202 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1h43 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h43 h ALA 203 N 0.00 0.84 -1.68 4.61 0.00 -1.65 -3.45 119.26 117.93 1h43 h ALA 203 Ca 0.00 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 1h43 h ALA 203 Cb 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.46 1h43 h ALA 203 CO 0.00 0.55 -0.53 0.20 0.00 0.00 0.00 179.25 179.48 1h43 s GLY 204 N -3.37 2.27 -0.02 0.00 0.00 -0.82 -4.89 107.32 100.50 1h43 s GLY 204 Ca -0.12 -2.08 0.18 0.00 0.00 0.00 0.00 44.72 42.70 1h43 s GLY 204 CO 0.83 -1.91 0.47 1.22 0.00 0.00 0.00 173.10 173.70 1h43 n ASP 205 N -1.16 0.88 -3.80 1.64 8.00 0.11 -4.68 116.55 117.54 1h43 n ASP 205 Ca -0.02 -0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.16 1h43 n ASP 205 Cb 0.64 1.64 -0.12 0.00 -0.02 0.00 0.00 41.12 43.27 1h43 n ASP 205 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1h43 s VAL 206 N -3.12 0.01 -0.11 2.53 0.11 -1.16 -4.39 120.40 114.27 1h43 s VAL 206 Ca -0.04 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 1h43 s VAL 206 Cb 0.12 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 1h43 s VAL 206 CO 0.74 -0.03 -0.23 0.00 -3.33 0.00 0.00 175.10 172.24 1h43 s ALA 207 N -0.03 2.18 -0.61 1.54 0.00 0.13 -1.14 121.76 123.82 1h43 s ALA 207 Ca -0.01 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1h43 s ALA 207 Cb -0.02 -0.86 0.15 0.00 0.00 0.00 0.00 23.12 22.39 1h43 s ALA 207 CO 0.00 0.20 0.55 -0.06 0.00 0.00 0.00 175.76 176.45 1h43 s PHE 208 N 0.48 3.41 0.00 0.00 0.08 -0.72 -0.66 117.98 120.57 1h43 s PHE 208 Ca -0.16 -1.59 0.00 0.00 0.12 0.00 0.00 56.93 55.31 1h43 s PHE 208 Cb -0.17 -3.75 0.00 0.00 -0.57 0.00 0.00 43.02 38.53 1h43 s PHE 208 CO 0.06 -1.00 0.00 0.44 -0.10 0.00 0.00 175.22 174.61 1h43 n ILE 209 N 4.82 0.00 -3.86 0.64 -5.35 -0.93 -3.81 119.36 110.87 1h43 n ILE 209 Ca -0.05 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.21 1h43 n ILE 209 Cb 0.42 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 1h43 n ILE 209 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1h43 s GLU 210 N 1.30 2.70 0.37 6.28 -1.05 -1.26 -0.96 118.70 126.07 1h43 s GLU 210 Ca 0.00 -1.31 0.06 0.00 -0.15 0.00 0.00 54.97 53.57 1h43 s GLU 210 Cb 0.00 -2.45 0.71 0.00 -0.44 0.00 0.00 34.13 31.95 1h43 s GLU 210 CO 0.00 0.11 1.94 1.05 0.95 0.00 0.00 175.26 179.32 1h43 h GLU 211 N 1.29 0.50 0.00 -4.83 -0.00 -1.82 -3.10 114.58 106.63 1h43 h GLU 211 Ca -0.45 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 58.83 1h43 h GLU 211 Cb 1.25 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 1h43 h GLU 211 CO 0.59 0.47 0.00 -1.13 -0.00 0.00 0.00 179.01 178.94 1h43 n SER 212 N -4.35 0.81 -0.14 3.06 3.41 -1.26 -4.14 113.62 111.02 1h43 n SER 212 Ca 0.02 0.59 -0.04 0.00 -0.26 0.00 0.00 58.87 59.18 1h43 n SER 212 Cb 0.18 -0.81 0.04 0.00 -0.26 0.00 0.00 64.21 63.37 1h43 n SER 212 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1h43 h THR 213 N 0.00 0.79 -0.24 6.66 2.02 -1.95 -2.11 112.91 118.07 1h43 h THR 213 Ca 0.00 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1h43 h THR 213 Cb 0.68 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1h43 h THR 213 CO 0.00 0.04 0.03 -0.37 0.37 0.00 0.00 175.52 175.59 1h43 h VAL 214 N 0.25 1.14 0.00 3.16 -1.51 -1.80 -1.94 116.25 115.54 1h43 h VAL 214 Ca 0.21 -0.51 -0.14 0.00 -1.23 0.00 0.00 66.70 65.03 1h43 h VAL 214 Cb 0.25 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 30.32 1h43 h VAL 214 CO -0.26 0.17 -0.68 -0.26 -1.23 0.00 0.00 177.57 175.31 1h43 h PHE 215 N 0.35 0.00 0.05 5.19 0.04 -1.65 -2.52 116.94 118.40 1h43 h PHE 215 Ca 0.08 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 1h43 h PHE 215 Cb 0.19 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.35 1h43 h PHE 215 CO 0.00 0.68 -0.31 0.93 -0.60 0.00 0.00 178.31 179.01 1h43 h GLU 216 N 0.00 0.13 -0.24 1.51 5.08 -1.06 -3.37 114.58 116.62 1h43 h GLU 216 Ca -0.01 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.00 1h43 h GLU 216 Cb 1.39 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1h43 h GLU 216 CO 0.09 1.07 -0.46 -0.44 -1.00 0.00 0.00 179.01 178.27 1h43 h ASP 217 N -0.71 0.67 -3.66 1.42 5.19 -1.48 -3.40 116.42 114.45 1h43 h ASP 217 Ca -0.05 -0.32 -0.69 0.00 -0.62 0.00 0.00 57.03 55.34 1h43 h ASP 217 Cb 1.22 -0.19 -0.36 0.00 0.18 0.00 0.00 39.33 40.18 1h43 h ASP 217 CO 0.06 1.03 -0.54 -0.76 -3.12 0.00 0.00 179.24 175.91 1h43 s LEU 218 N -8.51 5.16 0.14 1.55 1.02 -0.95 -4.96 118.68 112.13 1h43 s LEU 218 Ca -0.08 -2.24 -0.08 0.00 0.02 0.00 0.00 54.13 51.75 1h43 s LEU 218 Cb 0.12 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 1h43 s LEU 218 CO 0.84 -0.48 1.41 0.77 0.02 0.00 0.00 176.35 178.91 1h43 h SER 219 N 7.75 0.83 -2.86 2.29 4.64 -1.79 -3.42 113.55 120.98 1h43 h SER 219 Ca -0.10 -0.48 -0.57 0.00 -0.47 0.00 0.00 61.79 60.18 1h43 h SER 219 Cb 1.02 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 1h43 h SER 219 CO 0.68 1.25 1.11 -0.62 -0.87 0.00 0.00 176.83 178.38 1h43 s ASP 220 N -6.98 6.36 0.58 4.97 -1.08 -1.26 -4.87 116.67 114.39 1h43 s ASP 220 Ca -0.09 1.44 0.28 0.00 -0.52 0.00 0.00 52.55 53.66 1h43 s ASP 220 Cb 0.10 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.58 1h43 s ASP 220 CO 0.88 -1.30 2.03 -0.33 0.52 0.00 0.00 175.17 176.97 1h43 h GLU 221 N 10.75 0.00 -0.70 4.34 5.08 -2.01 -0.42 114.58 131.62 1h43 h GLU 221 Ca -0.32 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1h43 h GLU 221 Cb 1.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1h43 h GLU 221 CO 1.02 0.00 0.27 0.00 -1.00 0.00 0.00 179.01 179.30 1h43 h ALA 222 N 1.69 1.16 -0.08 3.43 0.00 -1.96 -2.88 119.26 120.60 1h43 h ALA 222 Ca 0.14 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1h43 h ALA 222 Cb 0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1h43 h ALA 222 CO -0.00 0.60 -0.67 0.93 0.00 0.00 0.00 179.25 180.11 1h43 h GLU 223 N 1.01 0.36 0.00 0.00 5.08 -1.46 -3.11 114.58 116.46 1h43 h GLU 223 Ca 0.23 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1h43 h GLU 223 Cb 0.21 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1h43 h GLU 223 CO -0.02 0.90 -0.12 0.00 -1.00 0.00 0.00 179.01 178.77 1h43 h ARG 224 N 0.25 0.00 0.00 2.33 3.08 -1.41 -2.45 114.38 116.18 1h43 h ARG 224 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1h43 h ARG 224 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1h43 h ARG 224 CO 0.11 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 178.88 1h43 n ASP 225 N -3.60 0.00 -1.49 7.04 9.92 -1.16 -2.47 116.55 124.79 1h43 n ASP 225 Ca -0.02 -0.27 0.08 0.00 -0.53 0.00 0.00 54.79 54.05 1h43 n ASP 225 Cb 0.25 -0.17 0.34 0.00 -0.64 0.00 0.00 41.12 40.90 1h43 n ASP 225 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1h43 n GLU 226 N -1.17 3.91 -4.19 -1.24 0.28 -0.92 -4.87 120.64 112.44 1h43 n GLU 226 Ca 0.12 -2.92 -0.18 0.00 -0.16 0.00 0.00 57.16 54.02 1h43 n GLU 226 Cb 0.12 -1.96 -0.12 0.00 1.43 0.00 0.00 31.44 30.91 1h43 n GLU 226 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1h43 s TYR 227 N -2.27 1.26 0.26 -1.84 2.02 -1.03 -1.03 117.35 114.72 1h43 s TYR 227 Ca 0.49 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 1h43 s TYR 227 Cb 0.35 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1h43 s TYR 227 CO 0.18 0.07 0.17 -1.21 -1.57 0.00 0.00 175.55 173.19 1h43 s GLU 228 N -1.94 1.45 0.12 -0.62 2.02 0.70 -4.33 118.70 116.10 1h43 s GLU 228 Ca 0.00 -1.81 0.09 0.00 0.02 0.00 0.00 54.97 53.28 1h43 s GLU 228 Cb -0.09 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 1h43 s GLU 228 CO 0.02 -0.45 -0.20 -0.51 0.02 0.00 0.00 175.26 174.14 1h43 s LEU 229 N -3.28 2.63 -0.35 1.80 1.43 -0.41 -0.98 118.68 119.52 1h43 s LEU 229 Ca 0.38 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 1h43 s LEU 229 Cb 0.06 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 1h43 s LEU 229 CO 0.17 0.18 0.23 -0.76 0.23 0.00 0.00 176.35 176.40 1h43 s LEU 230 N -2.12 4.54 0.28 1.79 1.43 -0.33 -2.57 118.68 121.70 1h43 s LEU 230 Ca 0.17 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1h43 s LEU 230 Cb -0.10 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 1h43 s LEU 230 CO 0.09 -0.27 0.65 0.00 0.23 0.00 0.00 176.35 177.05 1h43 n PRO 232 N -0.30 0.09 -0.50 0.00 -0.04 -1.26 -1.71 135.00 131.27 1h43 n PRO 232 Ca 0.02 0.24 0.06 0.00 -0.04 0.00 0.00 63.50 63.78 1h43 n PRO 232 Cb 0.53 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 1h43 n PRO 232 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1h43 n ASP 233 N -1.33 3.79 -3.29 3.54 5.75 -1.26 -4.91 116.55 118.83 1h43 n ASP 233 Ca 0.04 -2.42 -0.22 0.00 -0.01 0.00 0.00 54.79 52.17 1h43 n ASP 233 Cb 0.07 -0.53 0.07 0.00 -1.03 0.00 0.00 41.12 39.70 1h43 n ASP 233 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1h43 n ASN 234 N 0.65 -6.09 -4.44 -1.12 3.02 -0.69 -5.02 115.26 101.56 1h43 n ASN 234 Ca 0.19 -0.46 -0.21 0.00 -0.03 0.00 0.00 54.58 54.07 1h43 n ASN 234 Cb 0.75 -4.76 -0.11 0.00 -0.61 0.00 0.00 39.78 35.06 1h43 n ASN 234 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1h43 s THR 235 N -3.27 1.20 0.02 3.41 -4.23 -1.24 -4.86 115.64 106.66 1h43 s THR 235 Ca 0.50 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.08 1h43 s THR 235 Cb -0.22 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 1h43 s THR 235 CO 0.61 -0.04 -0.23 -0.13 -0.54 0.00 0.00 174.62 174.29 1h43 s ARG 236 N -3.88 1.70 0.10 3.99 0.52 -1.26 -1.61 118.95 118.51 1h43 s ARG 236 Ca 0.36 -0.95 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1h43 s ARG 236 Cb 0.08 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.76 1h43 s ARG 236 CO 0.15 0.47 0.11 0.15 0.02 0.00 0.00 175.30 176.20 1h43 s LYS 237 N -0.97 0.87 0.79 3.54 1.02 -1.06 -4.97 119.74 118.95 1h43 s LYS 237 Ca 0.09 -1.20 -0.14 0.00 0.02 0.00 0.00 55.97 54.73 1h43 s LYS 237 Cb -0.09 0.29 0.04 0.00 -0.52 0.00 0.00 37.83 37.54 1h43 s LYS 237 CO 0.01 -0.25 0.95 -2.30 -0.92 0.00 0.00 175.35 172.83 1h43 n PRO 238 N -0.05 0.25 0.24 -1.68 -0.02 -1.26 -1.28 135.00 131.19 1h43 n PRO 238 Ca -0.11 0.15 0.07 0.00 -2.02 0.00 0.00 63.50 61.59 1h43 n PRO 238 Cb 0.62 -2.22 0.57 0.00 -0.02 0.00 0.00 33.50 32.46 1h43 n PRO 238 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1h43 h VAL 239 N -0.70 1.05 0.00 -1.45 -1.51 -1.88 -2.27 116.25 109.49 1h43 h VAL 239 Ca -0.46 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1h43 h VAL 239 Cb 1.31 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1h43 h VAL 239 CO 0.44 0.10 0.00 -0.90 -1.23 0.00 0.00 177.57 175.98 1h43 n ASP 240 N -4.38 0.00 -1.44 4.19 5.75 -1.26 -3.24 116.55 116.17 1h43 n ASP 240 Ca -0.03 -1.06 -0.05 0.00 -0.01 0.00 0.00 54.79 53.64 1h43 n ASP 240 Cb 0.18 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.50 1h43 n ASP 240 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1h43 n LYS 241 N -0.84 2.47 0.08 0.11 4.76 -0.86 -4.72 118.16 119.17 1h43 n LYS 241 Ca 0.13 -3.07 0.20 0.00 -2.87 0.00 0.00 58.31 52.70 1h43 n LYS 241 Cb 0.06 -1.96 0.74 0.00 -1.84 0.00 0.00 35.03 32.04 1h43 n LYS 241 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1h43 h PHE 242 N 1.46 0.00 0.00 2.13 -5.15 -1.75 -1.17 116.94 112.45 1h43 h PHE 242 Ca 0.26 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.00 1h43 h PHE 242 Cb 1.95 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.12 1h43 h PHE 242 CO 1.07 0.00 -0.14 0.87 -2.00 0.00 0.00 178.31 178.11 1h43 h LYS 243 N 0.00 0.00 -0.22 6.09 1.57 -1.92 -2.42 116.57 119.67 1h43 h LYS 243 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1h43 h LYS 243 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1h43 h LYS 243 CO -0.00 0.14 0.00 -0.25 -0.57 0.00 0.00 179.45 178.76 1h43 n ASP 244 N -3.34 3.01 -2.80 0.86 8.00 -0.49 -4.78 116.55 117.02 1h43 n ASP 244 Ca -0.00 -2.47 -0.09 0.00 0.71 0.00 0.00 54.79 52.94 1h43 n ASP 244 Cb 0.35 -0.32 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1h43 n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h43 s HIS 246 N 0.54 0.86 0.10 0.00 -3.43 -1.19 -4.58 115.29 107.59 1h43 s HIS 246 Ca 0.32 -0.91 0.04 0.00 -0.80 0.00 0.00 55.06 53.71 1h43 s HIS 246 Cb 0.20 -0.50 -0.23 0.00 -1.43 0.00 0.00 32.58 30.62 1h43 s HIS 246 CO -0.22 -0.16 1.22 -0.07 -2.00 0.00 0.00 174.74 173.51 1h43 h LEU 247 N 3.03 0.11 -7.00 5.38 3.38 -1.15 -3.41 115.31 115.64 1h43 h LEU 247 Ca -0.35 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 57.65 1h43 h LEU 247 Cb 1.16 -0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.67 1h43 h LEU 247 CO 0.64 1.09 0.65 0.00 0.09 0.00 0.00 178.44 180.91 1h43 s ALA 248 N -2.69 -1.96 -0.23 1.53 0.00 -1.21 -5.01 121.76 112.19 1h43 s ALA 248 Ca -0.01 1.49 -0.09 0.00 0.00 0.00 0.00 51.96 53.35 1h43 s ALA 248 Cb 0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1h43 s ALA 248 CO 0.84 -0.46 0.13 0.50 0.00 0.00 0.00 175.76 176.77 1h43 s ARG 249 N -1.89 4.00 0.12 0.00 3.52 -1.26 -1.13 118.95 122.30 1h43 s ARG 249 Ca 0.04 -0.31 0.08 0.00 -0.13 0.00 0.00 55.73 55.41 1h43 s ARG 249 Cb -0.01 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1h43 s ARG 249 CO -0.04 0.07 -0.20 0.14 -0.81 0.00 0.00 175.30 174.46 1h43 s VAL 250 N 1.00 1.75 0.40 7.11 -7.23 -0.01 -4.97 120.40 118.46 1h43 s VAL 250 Ca 0.06 -1.66 -0.26 0.00 -1.81 0.00 0.00 61.98 58.32 1h43 s VAL 250 Cb -0.14 -1.65 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 1h43 s VAL 250 CO 0.04 -0.13 1.29 -2.16 -0.31 0.00 0.00 175.10 173.82 1h43 s PRO 251 N -2.17 4.01 0.96 4.82 0.04 -1.26 -1.31 135.00 140.09 1h43 s PRO 251 Ca 0.09 2.13 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 1h43 s PRO 251 Cb -0.09 -2.77 0.17 0.00 0.04 0.00 0.00 34.50 31.85 1h43 s PRO 251 CO 0.05 -0.45 1.09 -1.54 0.04 0.00 0.00 177.00 176.19 1h43 s SER 252 N -0.76 2.78 0.67 6.66 1.04 -0.96 -4.69 113.70 118.44 1h43 s SER 252 Ca 0.56 1.67 -0.17 0.00 0.48 0.00 0.00 55.95 58.49 1h43 s SER 252 Cb -0.37 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.45 1h43 s SER 252 CO 0.48 -3.10 1.22 -1.00 0.98 0.00 0.00 173.24 171.82 1h43 s HIS 253 N -2.75 2.18 0.05 5.02 3.76 -1.26 -4.66 115.29 117.63 1h43 s HIS 253 Ca 0.65 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 57.13 1h43 s HIS 253 Cb -0.21 -3.50 -0.03 0.00 1.11 0.00 0.00 32.58 29.96 1h43 s HIS 253 CO 0.59 -2.50 -0.07 0.00 -0.85 0.00 0.00 174.74 171.91 1h43 s ALA 254 N -1.79 0.59 -0.17 -1.40 0.00 -0.62 -1.58 121.76 116.78 1h43 s ALA 254 Ca 0.76 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 51.62 1h43 s ALA 254 Cb -0.30 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1h43 s ALA 254 CO 0.41 -0.06 0.90 0.08 0.00 0.00 0.00 175.76 177.09 1h43 s VAL 255 N -1.70 4.82 0.29 0.00 1.01 0.11 -1.00 120.40 123.93 1h43 s VAL 255 Ca -0.07 1.78 0.07 0.00 0.00 0.00 0.00 61.98 63.75 1h43 s VAL 255 Cb -0.08 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1h43 s VAL 255 CO -0.00 -0.02 0.24 0.54 0.00 0.00 0.00 175.10 175.85 1h43 s VAL 256 N 2.37 4.07 0.20 2.92 0.11 -0.08 -0.33 120.40 129.66 1h43 s VAL 256 Ca 0.41 -1.38 -0.23 0.00 -2.93 0.00 0.00 61.98 57.84 1h43 s VAL 256 Cb -0.16 -3.31 0.05 0.00 -1.53 0.00 0.00 36.38 31.42 1h43 s VAL 256 CO 0.12 -0.28 0.78 0.00 -3.33 0.00 0.00 175.10 172.39 1h43 s ALA 257 N -2.20 -1.45 0.29 1.54 0.00 0.25 -3.31 121.76 116.87 1h43 s ALA 257 Ca 0.36 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1h43 s ALA 257 Cb -0.07 0.77 -0.12 0.00 0.00 0.00 0.00 23.12 23.70 1h43 s ALA 257 CO 0.26 -0.96 1.61 0.54 0.00 0.00 0.00 175.76 177.21 1h43 n ARG 258 N -0.43 2.73 0.11 0.00 1.74 -1.26 0.14 116.66 119.70 1h43 n ARG 258 Ca -0.07 0.97 0.12 0.00 -0.77 0.00 0.00 57.85 58.10 1h43 n ARG 258 Cb 0.61 -2.77 0.46 0.00 -1.02 0.00 0.00 32.46 29.74 1h43 n ARG 258 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1h43 n SER 259 N 2.27 0.69 -3.97 0.55 3.41 -1.24 -3.12 113.62 112.21 1h43 n SER 259 Ca 0.09 0.62 -0.30 0.00 -0.26 0.00 0.00 58.87 59.03 1h43 n SER 259 Cb 0.37 -0.79 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 1h43 n SER 259 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1h43 s VAL 260 N -3.22 1.46 -0.96 -3.33 1.01 -1.26 -4.72 120.40 109.38 1h43 s VAL 260 Ca 0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 1h43 s VAL 260 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1h43 s VAL 260 CO 0.47 0.26 0.80 0.59 0.00 0.00 0.00 175.10 177.22 1h43 n ASN 261 N 4.77 -2.06 -0.74 3.32 3.02 -1.26 -4.94 115.26 117.38 1h43 n ASN 261 Ca -0.15 -0.49 0.13 0.00 -0.03 0.00 0.00 54.58 54.04 1h43 n ASN 261 Cb 0.48 -4.19 0.27 0.00 -0.61 0.00 0.00 39.78 35.73 1h43 n ASN 261 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h43 n GLY 262 N -1.11 0.53 3.04 7.41 0.00 -1.18 -4.80 105.19 109.08 1h43 n GLY 262 Ca -0.23 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1h43 n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h43 n LYS 263 N 0.79 -3.43 -0.26 1.61 5.02 -1.26 -4.64 118.16 115.99 1h43 n LYS 263 Ca 0.16 0.62 0.04 0.00 -2.02 0.00 0.00 58.31 57.11 1h43 n LYS 263 Cb 0.49 -5.34 0.18 0.00 -0.02 0.00 0.00 35.03 30.35 1h43 n LYS 263 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1h43 h GLU 264 N -0.82 0.51 -0.17 1.97 4.11 -1.92 -1.08 114.58 117.19 1h43 h GLU 264 Ca -0.42 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 58.90 1h43 h GLU 264 Cb 1.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1h43 h GLU 264 CO 0.50 0.34 -0.24 -0.44 0.07 0.00 0.00 179.01 179.23 1h43 h ASP 265 N 0.53 0.30 -0.07 3.06 5.19 -2.00 -1.51 116.42 121.92 1h43 h ASP 265 Ca 0.41 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.69 1h43 h ASP 265 Cb 0.56 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1h43 h ASP 265 CO -0.35 0.55 -0.08 0.00 -3.12 0.00 0.00 179.24 176.24 1h43 h ALA 266 N 1.47 0.10 -0.38 3.45 0.00 -1.70 -2.11 119.26 120.09 1h43 h ALA 266 Ca 0.04 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1h43 h ALA 266 Cb 0.59 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1h43 h ALA 266 CO 0.04 -0.08 0.05 0.82 0.00 0.00 0.00 179.25 180.08 1h43 h ILE 267 N -0.28 0.77 -0.72 0.00 2.04 -1.11 0.91 117.51 119.13 1h43 h ILE 267 Ca 0.01 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1h43 h ILE 267 Cb 0.60 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1h43 h ILE 267 CO 0.02 0.03 0.35 -0.25 0.00 0.00 0.00 178.15 178.30 1h43 h TRP 268 N 0.17 1.01 -0.35 1.37 2.91 -1.27 -1.28 115.95 118.50 1h43 h TRP 268 Ca 0.18 -0.04 -0.10 0.00 1.13 0.00 0.00 58.89 60.07 1h43 h TRP 268 Cb 0.23 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 1h43 h TRP 268 CO -0.22 0.73 -0.21 -0.91 -1.03 0.00 0.00 178.44 176.79 1h43 h ASN 269 N 1.01 0.67 0.16 2.65 2.35 -0.55 -0.98 115.58 120.89 1h43 h ASN 269 Ca 0.25 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1h43 h ASN 269 Cb 0.09 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1h43 h ASN 269 CO -0.03 0.88 -0.08 0.25 -1.65 0.00 0.00 177.43 176.80 1h43 h LEU 270 N 0.59 -0.18 -0.70 1.61 5.85 -0.30 -2.61 115.31 119.57 1h43 h LEU 270 Ca 0.09 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1h43 h LEU 270 Cb 0.68 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1h43 h LEU 270 CO 0.05 0.03 0.33 -0.07 -0.34 0.00 0.00 178.44 178.44 1h43 h LEU 271 N -0.39 0.92 -0.90 2.25 3.38 -1.14 0.17 115.31 119.60 1h43 h LEU 271 Ca -0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1h43 h LEU 271 Cb 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1h43 h LEU 271 CO 0.04 0.80 0.09 -0.09 0.09 0.00 0.00 178.44 179.37 1h43 h ARG 272 N 0.98 0.91 0.02 1.13 2.43 -1.20 0.38 114.38 119.04 1h43 h ARG 272 Ca 0.24 -0.22 -0.23 0.00 -0.81 0.00 0.00 59.98 58.96 1h43 h ARG 272 Cb 0.13 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1h43 h ARG 272 CO -0.03 0.84 -0.99 0.37 -1.51 0.00 0.00 179.97 178.65 1h43 h GLN 273 N 0.86 0.39 -0.49 0.20 4.15 -1.20 -2.47 115.11 116.55 1h43 h GLN 273 Ca 0.18 -0.45 -0.12 0.00 0.77 0.00 0.00 58.65 59.03 1h43 h GLN 273 Cb 0.38 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1h43 h GLN 273 CO 0.01 1.13 -0.15 0.00 -1.93 0.00 0.00 178.83 177.89 1h43 h ALA 274 N 0.71 0.68 -0.54 3.38 0.00 -0.40 -1.61 119.26 121.49 1h43 h ALA 274 Ca -0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1h43 h ALA 274 Cb 1.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1h43 h ALA 274 CO 0.17 0.62 0.16 0.37 0.00 0.00 0.00 179.25 180.57 1h43 h GLN 275 N 0.83 0.84 -0.21 0.00 4.15 -0.95 0.32 115.11 120.08 1h43 h GLN 275 Ca 0.12 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 1h43 h GLN 275 Cb 0.72 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1h43 h GLN 275 CO 0.05 0.78 -0.39 1.49 -1.93 0.00 0.00 178.83 178.83 1h43 h GLU 276 N 0.75 0.49 0.15 1.69 4.81 -1.32 0.08 114.58 121.22 1h43 h GLU 276 Ca 0.17 -0.24 -0.35 0.00 -0.13 0.00 0.00 59.36 58.81 1h43 h GLU 276 Cb 0.30 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1h43 h GLU 276 CO -0.00 0.80 -1.83 0.87 -0.73 0.00 0.00 179.01 178.12 1h43 h LYS 277 N 0.41 0.31 0.00 1.92 6.56 -1.18 -3.41 116.57 121.18 1h43 h LYS 277 Ca 0.04 -0.53 -0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1h43 h LYS 277 Cb 0.87 0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 32.72 1h43 h LYS 277 CO 0.07 1.25 -0.14 1.19 -2.06 0.00 0.00 179.45 179.76 1h43 n PHE 278 N -3.60 0.00 -0.44 -1.35 3.72 0.11 -4.21 117.46 111.69 1h43 n PHE 278 Ca -0.29 -1.05 0.00 0.00 -0.05 0.00 0.00 57.45 56.07 1h43 n PHE 278 Cb 1.04 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 1h43 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h43 n GLY 279 N -1.27 -2.32 3.69 1.37 0.00 0.01 -1.69 105.19 104.97 1h43 n GLY 279 Ca 0.16 -1.45 -0.50 0.00 0.00 0.00 0.00 46.02 44.23 1h43 n GLY 279 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h43 n LYS 280 N -1.24 2.01 -2.40 1.61 4.81 -1.26 -1.71 118.16 119.97 1h43 n LYS 280 Ca 0.00 0.74 -0.16 0.00 -0.87 0.00 0.00 58.31 58.02 1h43 n LYS 280 Cb 0.00 -2.55 -0.01 0.00 0.02 0.00 0.00 35.03 32.49 1h43 n LYS 280 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1h43 n ASP 281 N 6.36 -4.75 -0.02 3.14 8.00 -1.26 -4.86 116.55 123.15 1h43 n ASP 281 Ca 0.23 0.11 -0.00 0.00 0.71 0.00 0.00 54.79 55.84 1h43 n ASP 281 Cb 0.27 -4.00 -0.13 0.00 -0.02 0.00 0.00 41.12 37.24 1h43 n ASP 281 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h43 n LYS 282 N -2.88 0.65 -3.73 -1.24 4.76 -0.70 -4.97 118.16 110.05 1h43 n LYS 282 Ca -0.19 0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.17 1h43 n LYS 282 Cb 0.64 -1.64 -0.11 0.00 -1.84 0.00 0.00 35.03 32.08 1h43 n LYS 282 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1h43 s SER 283 N -5.37 -0.39 0.23 4.39 0.15 -1.26 -4.87 113.70 106.58 1h43 s SER 283 Ca -0.06 0.74 0.25 0.00 0.70 0.00 0.00 55.95 57.57 1h43 s SER 283 Cb 0.09 0.70 0.61 0.00 -1.71 0.00 0.00 66.02 65.71 1h43 s SER 283 CO 0.84 -0.15 1.63 1.55 1.20 0.00 0.00 173.24 178.32 1h43 h PRO 284 N 6.13 0.00 0.20 5.44 0.13 -1.95 -3.33 132.00 138.62 1h43 h PRO 284 Ca -0.31 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.50 1h43 h PRO 284 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1h43 h PRO 284 CO 0.30 0.00 -1.46 0.87 -0.23 0.00 0.00 178.00 177.48 1h43 h LYS 285 N 0.00 0.43 -2.58 0.86 1.79 -1.99 -3.47 116.57 111.60 1h43 h LYS 285 Ca 0.00 -0.73 -0.10 0.00 -2.18 0.00 0.00 60.65 57.64 1h43 h LYS 285 Cb 0.79 0.27 -0.23 0.00 -1.58 0.00 0.00 32.23 31.48 1h43 h LYS 285 CO 0.00 1.34 -0.15 0.12 -1.08 0.00 0.00 179.45 179.68 1h43 s PHE 286 N -2.61 -0.52 -0.21 -1.35 5.36 -1.25 -5.14 117.98 112.25 1h43 s PHE 286 Ca -0.08 1.26 0.01 0.00 -0.96 0.00 0.00 56.93 57.16 1h43 s PHE 286 Cb 0.05 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.94 1h43 s PHE 286 CO 0.91 -0.26 -0.16 -0.65 -1.46 0.00 0.00 175.22 173.60 1h43 s GLN 287 N 0.19 2.77 0.24 10.12 1.11 -1.26 -4.46 119.66 128.38 1h43 s GLN 287 Ca -0.00 -0.99 0.01 0.00 0.01 0.00 0.00 55.36 54.39 1h43 s GLN 287 Cb -0.03 -2.72 0.28 0.00 -1.01 0.00 0.00 33.01 29.53 1h43 s GLN 287 CO 0.01 -0.33 1.62 1.25 0.01 0.00 0.00 175.29 177.84 1h43 h LEU 288 N 7.90 0.48 -4.93 2.90 5.85 -1.62 -3.23 115.31 122.67 1h43 h LEU 288 Ca -0.37 -0.22 -0.69 0.00 0.84 0.00 0.00 57.88 57.45 1h43 h LEU 288 Cb 1.11 -0.14 -0.34 0.00 0.37 0.00 0.00 40.66 41.66 1h43 h LEU 288 CO 0.58 0.85 0.20 0.49 -0.34 0.00 0.00 178.44 180.22 1h43 n PHE 289 N -4.02 3.23 -3.90 1.25 3.72 -1.26 -4.75 117.46 111.73 1h43 n PHE 289 Ca -0.02 -2.80 -0.08 0.00 -0.05 0.00 0.00 57.45 54.50 1h43 n PHE 289 Cb 0.51 -0.68 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 1h43 n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1h43 s GLY 290 N -2.30 0.19 0.03 1.37 0.00 -1.22 -4.69 107.32 100.71 1h43 s GLY 290 Ca 0.49 -0.55 -0.07 0.00 0.00 0.00 0.00 44.72 44.59 1h43 s GLY 290 CO -0.28 -0.36 0.13 -0.56 0.00 0.00 0.00 173.10 172.02 1h43 s SER 291 N -2.96 0.11 0.86 1.64 0.01 -1.26 -4.78 113.70 107.31 1h43 s SER 291 Ca 0.16 -0.42 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 1h43 s SER 291 Cb -0.03 0.23 0.11 0.00 0.21 0.00 0.00 66.02 66.54 1h43 s SER 291 CO 0.06 -0.48 1.11 -2.16 0.41 0.00 0.00 173.24 172.18 1h43 s PRO 292 N -2.28 1.54 0.17 12.44 0.04 -1.26 -4.80 135.00 140.85 1h43 s PRO 292 Ca -0.08 1.23 -0.33 0.00 0.04 0.00 0.00 61.00 61.87 1h43 s PRO 292 Cb -0.03 -1.81 -0.16 0.00 0.04 0.00 0.00 34.50 32.54 1h43 s PRO 292 CO -0.03 -2.16 1.14 0.45 0.04 0.00 0.00 177.00 176.44 1h43 n SER 293 N -3.88 1.23 0.00 6.66 2.88 -1.26 -1.56 113.62 117.69 1h43 n SER 293 Ca 0.09 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1h43 n SER 293 Cb 0.53 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1h43 n SER 293 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h43 n GLY 294 N 1.99 0.91 3.38 0.46 0.00 -1.26 -5.05 105.19 105.61 1h43 n GLY 294 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1h43 n GLY 294 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h43 s GLN 295 N -0.51 1.37 -0.05 1.61 -1.52 -0.60 -5.15 119.66 114.82 1h43 s GLN 295 Ca 0.00 -1.36 -0.04 0.00 -1.95 0.00 0.00 55.36 52.01 1h43 s GLN 295 Cb 0.00 -1.77 0.01 0.00 -0.22 0.00 0.00 33.01 31.04 1h43 s GLN 295 CO 0.00 0.41 0.12 0.15 -0.25 0.00 0.00 175.29 175.72 1h43 s LYS 296 N -2.20 0.13 -1.36 2.91 -0.14 -1.26 -4.68 119.74 113.14 1h43 s LYS 296 Ca 0.14 0.18 -0.04 0.00 -1.36 0.00 0.00 55.97 54.89 1h43 s LYS 296 Cb -0.09 0.05 0.02 0.00 -1.68 0.00 0.00 37.83 36.13 1h43 s LYS 296 CO 0.07 -0.03 0.79 -0.25 -0.76 0.00 0.00 175.35 175.17 1h43 n ASP 297 N 3.11 -2.19 -4.62 2.83 8.00 -1.26 -4.94 116.55 117.47 1h43 n ASP 297 Ca -0.13 -0.80 -0.43 0.00 0.71 0.00 0.00 54.79 54.14 1h43 n ASP 297 Cb 0.59 -4.08 -0.02 0.00 -0.02 0.00 0.00 41.12 37.58 1h43 n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1h43 s LEU 298 N -6.83 3.83 0.00 0.64 1.02 -1.26 -4.23 118.68 111.84 1h43 s LEU 298 Ca 0.17 0.77 0.00 0.00 0.02 0.00 0.00 54.13 55.09 1h43 s LEU 298 Cb -0.09 -3.51 0.00 0.00 0.02 0.00 0.00 46.19 42.61 1h43 s LEU 298 CO 0.81 -1.02 0.00 0.18 0.02 0.00 0.00 176.35 176.34 1h43 n LEU 299 N 7.24 0.00 -4.19 1.79 4.77 -1.26 -4.81 117.00 120.54 1h43 n LEU 299 Ca 0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1h43 n LEU 299 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1h43 n LEU 299 CO 0.64 0.00 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.96 1h43 s PHE 300 N 0.00 0.98 0.33 -1.77 0.08 -1.26 -4.48 117.98 111.85 1h43 s PHE 300 Ca 0.00 -0.90 -0.29 0.00 0.12 0.00 0.00 56.93 55.86 1h43 s PHE 300 Cb 0.00 -0.55 -0.10 0.00 -0.57 0.00 0.00 43.02 41.80 1h43 s PHE 300 CO 0.00 -0.12 1.33 0.15 -0.10 0.00 0.00 175.22 176.47 1h43 s LYS 301 N -3.83 4.34 0.53 0.44 1.02 -1.26 -4.33 119.74 116.65 1h43 s LYS 301 Ca 0.14 2.24 0.30 0.00 0.02 0.00 0.00 55.97 58.66 1h43 s LYS 301 Cb 0.05 -3.07 1.49 0.00 -0.52 0.00 0.00 37.83 35.78 1h43 s LYS 301 CO -0.03 -0.22 2.07 -0.44 -0.92 0.00 0.00 175.35 175.80 1h43 h ASP 302 N 3.49 0.00 0.87 2.83 3.45 -1.90 -2.37 116.42 122.79 1h43 h ASP 302 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1h43 h ASP 302 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1h43 h ASP 302 CO 0.66 0.10 0.00 -1.54 -1.57 0.00 0.00 179.24 176.89 1h43 n SER 303 N -3.48 0.00 -4.78 6.45 3.41 -1.26 -4.79 113.62 109.16 1h43 n SER 303 Ca -0.01 0.35 -0.36 0.00 -0.26 0.00 0.00 58.87 58.59 1h43 n SER 303 Cb 0.25 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 1h43 n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h43 s ALA 304 N -2.90 2.98 0.00 7.33 0.00 -0.90 -4.49 121.76 123.79 1h43 s ALA 304 Ca 0.17 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1h43 s ALA 304 Cb 0.19 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1h43 s ALA 304 CO 0.50 -0.34 0.55 0.44 0.00 0.00 0.00 175.76 176.91 1h43 n ILE 305 N -0.49 0.19 -3.62 0.00 -5.35 -0.12 -4.87 119.36 105.11 1h43 n ILE 305 Ca 0.07 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1h43 n ILE 305 Cb 0.50 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 1h43 n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h43 n GLY 306 N -0.10 -1.27 3.25 3.28 0.00 -1.24 -4.72 105.19 104.40 1h43 n GLY 306 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 1h43 n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h43 s PHE 307 N -3.00 1.41 -0.05 1.61 0.08 -1.26 -0.49 117.98 116.28 1h43 s PHE 307 Ca 0.00 -0.57 0.02 0.00 0.12 0.00 0.00 56.93 56.50 1h43 s PHE 307 Cb 0.00 -0.73 0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1h43 s PHE 307 CO 0.00 0.15 -0.08 0.45 -0.10 0.00 0.00 175.22 175.65 1h43 s SER 308 N -2.55 1.25 0.32 1.36 0.15 0.44 -4.87 113.70 109.80 1h43 s SER 308 Ca 0.10 -0.19 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 1h43 s SER 308 Cb -0.04 -0.59 -0.09 0.00 -1.71 0.00 0.00 66.02 63.59 1h43 s SER 308 CO 0.03 -0.02 1.02 -0.60 1.20 0.00 0.00 173.24 174.88 1h43 s ARG 309 N 0.78 4.53 0.09 5.44 3.52 -1.26 0.33 118.95 132.38 1h43 s ARG 309 Ca -0.13 1.57 -0.15 0.00 -0.13 0.00 0.00 55.73 56.89 1h43 s ARG 309 Cb -0.15 -2.94 -0.06 0.00 -1.56 0.00 0.00 34.95 30.23 1h43 s ARG 309 CO 0.02 0.18 0.51 0.14 -0.81 0.00 0.00 175.30 175.33 1h43 s VAL 310 N -1.40 4.89 0.30 7.11 -7.23 -0.91 -4.87 120.40 118.31 1h43 s VAL 310 Ca 0.49 0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 61.28 1h43 s VAL 310 Cb -0.25 -3.76 -0.15 0.00 0.56 0.00 0.00 36.38 32.78 1h43 s VAL 310 CO 0.32 0.40 0.67 -2.65 -0.31 0.00 0.00 175.10 173.53 1h43 n PRO 311 N 1.27 0.62 -1.43 4.82 -0.02 -1.26 -4.92 135.00 134.08 1h43 n PRO 311 Ca -0.09 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.25 1h43 n PRO 311 Cb 0.52 -1.43 0.07 0.00 -0.02 0.00 0.00 33.50 32.64 1h43 n PRO 311 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1h43 n PRO 312 N 0.81 0.59 -3.74 0.52 -0.02 -1.26 -5.03 135.00 126.86 1h43 n PRO 312 Ca 0.13 0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1h43 n PRO 312 Cb 0.32 -2.14 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 1h43 n PRO 312 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1h43 s ARG 313 N -3.07 0.30 0.00 -0.52 0.52 -1.26 -5.28 118.95 109.65 1h43 s ARG 313 Ca 0.73 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 56.48 1h43 s ARG 313 Cb -0.37 0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.11 1h43 s ARG 313 CO 0.50 -0.11 0.00 -0.89 0.02 0.00 0.00 175.30 174.82