#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8d s PHE 3 N 0.00 -0.18 -0.17 7.33 -0.71 -1.26 -4.57 117.98 118.43 3k8d s PHE 3 Ca 0.00 0.03 -0.05 0.00 -1.04 0.00 0.00 56.93 55.87 3k8d s PHE 3 Cb 0.00 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 3k8d s PHE 3 CO 0.00 -0.57 -0.00 0.08 -1.34 0.00 0.00 175.22 173.38 3k8d s VAL 4 N -2.83 4.17 -0.17 -2.49 1.01 -0.30 -2.12 120.40 117.68 3k8d s VAL 4 Ca -0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3k8d s VAL 4 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3k8d s VAL 4 CO -0.05 0.48 0.24 -0.69 0.00 0.00 0.00 175.10 175.08 3k8d s VAL 5 N 0.40 5.34 -0.11 2.92 1.01 -0.08 -0.55 120.40 129.33 3k8d s VAL 5 Ca -0.02 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3k8d s VAL 5 Cb -0.14 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.68 3k8d s VAL 5 CO 0.02 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 174.73 3k8d s ILE 6 N 0.31 1.68 -0.35 2.22 1.01 -0.72 -1.00 121.20 124.36 3k8d s ILE 6 Ca 0.14 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 3k8d s ILE 6 Cb -0.12 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 40.88 3k8d s ILE 6 CO 0.02 0.48 0.13 -0.63 0.00 0.00 0.00 174.94 174.94 3k8d s ILE 7 N 0.83 3.93 -0.01 2.92 1.01 0.39 -2.68 121.20 127.59 3k8d s ILE 7 Ca -0.09 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.15 3k8d s ILE 7 Cb -0.16 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 3k8d s ILE 7 CO 0.00 -0.21 1.00 -2.16 0.00 0.00 0.00 174.94 173.58 3k8d s PRO 8 N 1.43 4.52 -0.44 2.79 0.04 -1.26 -0.42 135.00 141.66 3k8d s PRO 8 Ca -0.01 1.44 0.05 0.00 0.04 0.00 0.00 61.00 62.53 3k8d s PRO 8 Cb -0.20 -3.47 0.17 0.00 0.04 0.00 0.00 34.50 31.05 3k8d s PRO 8 CO 0.03 -0.12 0.48 0.00 0.04 0.00 0.00 177.00 177.44 3k8d s ALA 9 N 1.20 -0.06 0.59 8.56 0.00 0.50 -3.05 121.76 129.50 3k8d s ALA 9 Ca 0.52 -1.55 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 3k8d s ALA 9 Cb -0.21 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3k8d s ALA 9 CO 0.26 -2.09 1.04 -0.98 0.00 0.00 0.00 175.76 174.00 3k8d s ARG 10 N 0.53 3.41 -0.02 0.00 1.70 -1.26 -4.35 118.95 118.97 3k8d s ARG 10 Ca 0.30 1.12 -0.20 0.00 -0.47 0.00 0.00 55.73 56.47 3k8d s ARG 10 Cb -0.00 -2.05 -0.28 0.00 -0.57 0.00 0.00 34.95 32.05 3k8d s ARG 10 CO -0.12 -0.73 1.01 -0.92 -1.08 0.00 0.00 175.30 173.45 3k8d h TYR 11 N 0.40 0.61 -0.83 5.89 3.20 -1.96 -3.41 116.97 120.87 3k8d h TYR 11 Ca -0.46 -0.38 -0.72 0.00 3.14 0.00 0.00 58.73 60.30 3k8d h TYR 11 Cb 1.21 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 39.35 3k8d h TYR 11 CO 0.60 1.25 2.79 0.00 -1.64 0.00 0.00 178.16 181.16 3k8d n ALA 12 N -2.63 6.88 -1.77 1.82 0.00 -1.26 -2.04 120.51 121.51 3k8d n ALA 12 Ca -0.12 -3.95 -0.37 0.00 0.00 0.00 0.00 53.44 48.99 3k8d n ALA 12 Cb 0.76 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 17.25 3k8d n ALA 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3k8d s SER 13 N 0.96 5.94 -0.09 0.00 1.04 -1.26 -4.92 113.70 115.37 3k8d s SER 13 Ca 0.57 2.44 0.04 0.00 0.48 0.00 0.00 55.95 59.48 3k8d s SER 13 Cb 0.18 -2.61 -0.24 0.00 0.10 0.00 0.00 66.02 63.44 3k8d s SER 13 CO -0.08 -1.08 0.49 0.35 0.98 0.00 0.00 173.24 173.90 3k8d n THR 14 N -0.60 1.68 0.17 2.02 -2.24 -1.26 -3.22 114.28 110.82 3k8d n THR 14 Ca 0.08 -0.73 0.08 0.00 -2.27 0.00 0.00 64.05 61.21 3k8d n THR 14 Cb 0.47 -1.34 0.09 0.00 -2.10 0.00 0.00 70.33 67.45 3k8d n THR 14 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3k8d h ARG 15 N 0.03 0.00 -1.82 -0.78 3.08 -1.94 -3.40 114.38 109.56 3k8d h ARG 15 Ca -0.36 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.33 3k8d h ARG 15 Cb 2.03 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.79 3k8d h ARG 15 CO 0.08 0.17 -0.70 -1.17 -1.07 0.00 0.00 179.97 177.27 3k8d s LEU 16 N -6.13 -0.08 0.26 3.04 0.20 -1.25 -4.42 118.68 110.29 3k8d s LEU 16 Ca 0.04 -1.86 -0.30 0.00 0.69 0.00 0.00 54.13 52.70 3k8d s LEU 16 Cb 0.07 0.67 -0.13 0.00 -0.43 0.00 0.00 46.19 46.36 3k8d s LEU 16 CO 0.72 -0.20 1.29 -2.65 -0.29 0.00 0.00 176.35 175.22 3k8d n PRO 17 N 3.76 1.85 -1.97 0.98 -0.02 -1.20 -2.61 135.00 135.79 3k8d n PRO 17 Ca 0.16 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3k8d n PRO 17 Cb 0.48 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3k8d n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k8d n GLY 18 N 1.67 0.44 0.29 -1.23 0.00 -0.86 -4.90 105.19 100.59 3k8d n GLY 18 Ca 0.10 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.01 3k8d n GLY 18 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3k8d h LYS 19 N 0.00 0.00 0.00 1.61 2.10 -1.61 -0.88 116.57 117.79 3k8d h LYS 19 Ca -0.35 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.29 3k8d h LYS 19 Cb 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3k8d h LYS 19 CO 0.45 0.01 -0.04 -1.35 -2.00 0.00 0.00 179.45 176.52 3k8d h PRO 20 N 0.00 0.00 -0.18 0.07 0.11 -1.84 -2.28 132.00 127.88 3k8d h PRO 20 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3k8d h PRO 20 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3k8d h PRO 20 CO 0.00 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.11 3k8d n LEU 21 N -3.33 3.17 -4.77 2.35 4.77 -0.34 -1.43 117.00 117.42 3k8d n LEU 21 Ca -0.02 -1.21 -0.41 0.00 -0.03 0.00 0.00 56.01 54.34 3k8d n LEU 21 Cb 0.18 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3k8d n LEU 21 CO 0.26 0.60 1.12 0.68 -1.33 0.00 0.00 177.39 178.72 3k8d s VAL 22 N -1.77 2.22 -0.02 4.08 -7.23 -0.86 -4.64 120.40 112.19 3k8d s VAL 22 Ca 0.32 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.40 3k8d s VAL 22 Cb 0.21 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 3k8d s VAL 22 CO 0.30 0.05 1.33 -0.62 -0.31 0.00 0.00 175.10 175.85 3k8d s ASP 23 N -0.08 6.92 -0.39 4.85 2.15 -1.26 -1.38 116.67 127.49 3k8d s ASP 23 Ca 0.54 2.00 0.04 0.00 0.43 0.00 0.00 52.55 55.56 3k8d s ASP 23 Cb -0.45 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 39.72 3k8d s ASP 23 CO 0.58 -0.67 0.10 -0.63 -0.17 0.00 0.00 175.17 174.38 3k8d s ILE 24 N 2.34 2.34 -1.53 4.11 1.01 0.38 -4.85 121.20 125.01 3k8d s ILE 24 Ca 0.61 -2.59 -0.12 0.00 0.00 0.00 0.00 60.65 58.55 3k8d s ILE 24 Cb -0.29 -2.71 0.08 0.00 0.01 0.00 0.00 42.46 39.56 3k8d s ILE 24 CO 0.25 -0.65 0.88 0.59 0.00 0.00 0.00 174.94 176.00 3k8d n ASN 25 N 3.96 -3.80 0.00 3.58 3.02 -1.26 -2.71 115.26 118.05 3k8d n ASN 25 Ca 0.04 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 3k8d n ASN 25 Cb 0.39 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 3k8d n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k8d n GLY 26 N -1.65 0.44 3.03 7.41 0.00 -1.26 -5.07 105.19 108.09 3k8d n GLY 26 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3k8d n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k8d s LYS 27 N -0.74 0.48 0.55 1.61 1.02 -1.10 -5.13 119.74 116.43 3k8d s LYS 27 Ca 0.00 -0.57 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 3k8d s LYS 27 Cb 0.00 -0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 36.94 3k8d s LYS 27 CO 0.00 0.07 1.14 -2.14 -0.92 0.00 0.00 175.35 173.49 3k8d s PRO 28 N -1.12 3.32 0.25 -1.68 0.02 -1.26 -0.47 135.00 134.07 3k8d s PRO 28 Ca -0.06 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.55 3k8d s PRO 28 Cb -0.07 -2.00 0.49 0.00 0.02 0.00 0.00 34.50 32.94 3k8d s PRO 28 CO 0.00 -0.88 1.69 1.98 -0.33 0.00 0.00 177.00 179.47 3k8d h MET 29 N 1.17 0.31 -0.28 5.54 1.85 -1.13 -0.67 114.93 121.72 3k8d h MET 29 Ca -0.50 -0.02 0.01 0.00 -0.61 0.00 0.00 59.70 58.58 3k8d h MET 29 Cb 1.26 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 33.21 3k8d h MET 29 CO 0.57 0.20 0.19 0.97 -0.40 0.00 0.00 176.91 178.44 3k8d h ILE 30 N 0.32 1.04 -0.10 1.77 6.09 -1.52 -1.45 117.51 123.66 3k8d h ILE 30 Ca 0.43 -0.11 -0.17 0.00 -1.37 0.00 0.00 64.86 63.64 3k8d h ILE 30 Cb 0.73 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 3k8d h ILE 30 CO -0.49 0.06 -0.66 0.58 -3.07 0.00 0.00 178.15 174.57 3k8d h VAL 31 N 0.33 1.36 -0.63 2.19 2.07 -1.39 -1.50 116.25 118.68 3k8d h VAL 31 Ca 0.11 -2.02 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 3k8d h VAL 31 Cb 0.03 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3k8d h VAL 31 CO -0.02 0.61 0.35 0.45 0.02 0.00 0.00 177.57 178.97 3k8d h HIS 32 N 0.30 0.86 -0.55 1.57 3.86 -1.08 -0.98 115.15 119.14 3k8d h HIS 32 Ca -0.02 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3k8d h HIS 32 Cb 1.22 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 3k8d h HIS 32 CO 0.04 0.62 0.25 0.28 0.86 0.00 0.00 177.93 179.98 3k8d h VAL 33 N 0.85 1.21 -0.75 2.45 2.07 -1.21 -1.40 116.25 119.47 3k8d h VAL 33 Ca 0.22 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 67.25 3k8d h VAL 33 Cb 0.04 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 3k8d h VAL 33 CO -0.04 0.24 0.38 0.25 0.02 0.00 0.00 177.57 178.42 3k8d h LEU 34 N 0.74 0.49 -0.62 2.57 5.85 -1.04 -0.33 115.31 122.96 3k8d h LEU 34 Ca 0.19 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3k8d h LEU 34 Cb 0.14 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3k8d h LEU 34 CO -0.02 0.27 0.31 -0.33 -0.34 0.00 0.00 178.44 178.33 3k8d h GLU 35 N 0.62 0.89 -0.63 1.25 5.08 -0.46 -0.17 114.58 121.16 3k8d h GLU 35 Ca 0.37 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 3k8d h GLU 35 Cb 0.42 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3k8d h GLU 35 CO -0.28 0.70 0.36 0.00 -1.00 0.00 0.00 179.01 178.78 3k8d h ARG 36 N 0.85 0.66 -0.72 2.33 2.47 -0.57 -1.66 114.38 117.74 3k8d h ARG 36 Ca 0.22 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.87 3k8d h ARG 36 Cb 0.09 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 3k8d h ARG 36 CO -0.03 0.44 0.33 0.00 0.56 0.00 0.00 179.97 181.27 3k8d h ALA 37 N 1.31 1.23 -0.74 0.04 0.00 -0.47 -2.45 119.26 118.19 3k8d h ALA 37 Ca 0.27 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3k8d h ALA 37 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3k8d h ALA 37 CO -0.15 0.58 0.22 0.00 0.00 0.00 0.00 179.25 179.90 3k8d h ARG 38 N 1.02 1.16 0.00 0.00 3.08 -0.63 -2.58 114.38 116.44 3k8d h ARG 38 Ca 0.25 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3k8d h ARG 38 Cb 0.12 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3k8d h ARG 38 CO -0.03 0.99 -0.04 0.93 -1.07 0.00 0.00 179.97 180.75 3k8d h GLU 39 N 1.11 0.00 0.00 0.04 5.08 -0.84 -2.36 114.58 117.60 3k8d h GLU 39 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3k8d h GLU 39 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3k8d h GLU 39 CO -0.01 0.04 0.00 0.66 -1.00 0.00 0.00 179.01 178.70 3k8d h SER 40 N 0.00 0.00 0.00 1.42 4.64 -1.17 -3.47 113.55 114.97 3k8d h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k8d h SER 40 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3k8d h SER 40 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3k8d n GLY 41 N 0.72 0.49 3.61 -0.77 0.00 -0.89 -4.79 105.19 103.55 3k8d n GLY 41 Ca 0.03 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3k8d n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8d n ALA 42 N 0.79 0.07 0.15 4.61 0.00 -1.26 -4.88 120.51 119.99 3k8d n ALA 42 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.80 3k8d n ALA 42 Cb 0.00 -2.06 0.33 0.00 0.00 0.00 0.00 19.45 17.71 3k8d n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3k8d h GLU 43 N 1.95 0.10 -2.92 0.00 5.08 -1.82 -3.44 114.58 113.53 3k8d h GLU 43 Ca -0.42 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 57.76 3k8d h GLU 43 Cb 1.33 -0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.32 3k8d h GLU 43 CO 0.60 0.44 -0.34 0.50 -1.00 0.00 0.00 179.01 179.21 3k8d s ARG 44 N -4.26 0.37 -0.08 2.33 3.52 -1.25 -5.07 118.95 114.50 3k8d s ARG 44 Ca -0.04 0.50 -0.00 0.00 -0.13 0.00 0.00 55.73 56.05 3k8d s ARG 44 Cb 0.14 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.70 3k8d s ARG 44 CO 0.74 -0.07 -0.04 0.42 -0.81 0.00 0.00 175.30 175.55 3k8d s ILE 45 N 0.38 0.65 -0.09 4.11 1.01 -1.26 -0.90 121.20 125.10 3k8d s ILE 45 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.59 3k8d s ILE 45 Cb -0.04 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.72 3k8d s ILE 45 CO -0.02 0.29 -0.18 -0.63 0.00 0.00 0.00 174.94 174.41 3k8d s ILE 46 N 1.65 1.62 -0.23 2.92 1.01 -0.17 -4.03 121.20 123.98 3k8d s ILE 46 Ca 0.01 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 3k8d s ILE 46 Cb -0.13 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3k8d s ILE 46 CO -0.05 0.46 0.47 -0.69 0.00 0.00 0.00 174.94 175.14 3k8d s VAL 47 N 0.57 5.12 -0.34 2.92 1.01 -0.02 -0.46 120.40 129.20 3k8d s VAL 47 Ca -0.15 0.83 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 3k8d s VAL 47 Cb -0.17 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3k8d s VAL 47 CO 0.05 0.16 0.30 0.00 0.00 0.00 0.00 175.10 175.62 3k8d s ALA 48 N 1.84 3.50 0.19 5.51 0.00 0.44 -0.53 121.76 132.72 3k8d s ALA 48 Ca 0.21 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3k8d s ALA 48 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3k8d s ALA 48 CO 0.09 -1.02 0.08 -0.08 0.00 0.00 0.00 175.76 174.83 3k8d s THR 49 N 1.88 0.28 -0.29 0.00 -1.32 -0.78 -0.37 115.64 115.04 3k8d s THR 49 Ca 0.09 -1.97 0.05 0.00 -1.21 0.00 0.00 61.69 58.65 3k8d s THR 49 Cb -0.17 -2.36 0.14 0.00 -1.51 0.00 0.00 72.50 68.60 3k8d s THR 49 CO 0.11 -0.19 1.11 -0.90 -2.21 0.00 0.00 174.62 172.53 3k8d n ASP 50 N -0.27 2.38 -3.85 8.08 5.75 -1.26 -0.66 116.55 126.71 3k8d n ASP 50 Ca -0.02 -2.14 -0.20 0.00 -0.01 0.00 0.00 54.79 52.42 3k8d n ASP 50 Cb 0.65 -0.13 -0.17 0.00 -1.03 0.00 0.00 41.12 40.45 3k8d n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3k8d s HIS 51 N -1.24 0.64 0.42 2.11 5.04 -1.26 -4.89 115.29 116.11 3k8d s HIS 51 Ca 0.11 -0.16 0.09 0.00 -1.54 0.00 0.00 55.06 53.56 3k8d s HIS 51 Cb 0.07 -0.64 0.91 0.00 0.04 0.00 0.00 32.58 32.96 3k8d s HIS 51 CO 0.05 -0.20 2.05 0.93 -2.34 0.00 0.00 174.74 175.23 3k8d h GLU 52 N 7.42 0.43 -0.06 2.88 5.08 -1.99 -1.95 114.58 126.38 3k8d h GLU 52 Ca -0.35 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 57.84 3k8d h GLU 52 Cb 1.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3k8d h GLU 52 CO 0.43 0.31 -0.55 -0.44 -1.00 0.00 0.00 179.01 177.76 3k8d h ASP 53 N 0.44 0.20 -0.24 1.42 3.32 -1.99 -0.23 116.42 119.34 3k8d h ASP 53 Ca 0.12 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3k8d h ASP 53 Cb -0.00 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3k8d h ASP 53 CO -0.02 0.71 -0.00 0.58 -1.72 0.00 0.00 179.24 178.79 3k8d h VAL 54 N 0.14 1.26 -0.35 -1.35 2.07 -1.83 -2.55 116.25 113.65 3k8d h VAL 54 Ca -0.00 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.67 3k8d h VAL 54 Cb 1.01 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 3k8d h VAL 54 CO 0.08 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.96 3k8d h ALA 55 N 0.80 0.31 -0.92 1.67 0.00 -1.04 -2.13 119.26 117.96 3k8d h ALA 55 Ca 0.07 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3k8d h ALA 55 Cb 0.42 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3k8d h ALA 55 CO 0.01 -0.40 0.60 0.00 0.00 0.00 0.00 179.25 179.46 3k8d h ARG 56 N 0.10 1.22 -0.69 0.00 3.08 -1.01 0.47 114.38 117.55 3k8d h ARG 56 Ca 0.17 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3k8d h ARG 56 Cb 0.23 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3k8d h ARG 56 CO -0.28 0.82 0.33 0.00 -1.07 0.00 0.00 179.97 179.77 3k8d h ALA 57 N 1.33 0.90 -0.24 0.04 0.00 -1.03 0.15 119.26 120.40 3k8d h ALA 57 Ca 0.33 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3k8d h ALA 57 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3k8d h ALA 57 CO -0.07 0.46 -0.18 0.28 0.00 0.00 0.00 179.25 179.74 3k8d h VAL 58 N 0.97 1.31 -0.64 0.00 2.07 -0.96 -2.82 116.25 116.18 3k8d h VAL 58 Ca 0.24 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 3k8d h VAL 58 Cb 0.13 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3k8d h VAL 58 CO -0.03 0.41 0.18 -0.33 0.02 0.00 0.00 177.57 177.81 3k8d h GLU 59 N 0.26 0.99 0.00 1.57 5.08 -0.73 -0.13 114.58 121.62 3k8d h GLU 59 Ca 0.05 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3k8d h GLU 59 Cb 0.71 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3k8d h GLU 59 CO 0.05 0.86 -0.03 0.00 -1.00 0.00 0.00 179.01 178.90 3k8d h ALA 60 N 1.24 1.10 -0.43 3.43 0.00 -0.64 -0.63 119.26 123.32 3k8d h ALA 60 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3k8d h ALA 60 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k8d h ALA 60 CO -0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3k8d n ALA 61 N -2.14 2.43 -0.77 0.00 0.00 -0.55 -4.94 120.51 114.54 3k8d n ALA 61 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3k8d n ALA 61 Cb 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3k8d n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8d n GLY 62 N 1.45 0.57 3.92 0.00 0.00 -0.24 -5.05 105.19 105.83 3k8d n GLY 62 Ca 0.19 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3k8d n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8d s GLY 63 N -2.34 1.81 0.15 -0.02 0.00 -0.17 -4.99 107.32 101.77 3k8d s GLY 63 Ca 0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 44.72 43.70 3k8d s GLY 63 CO 0.00 -0.67 0.87 1.85 0.00 0.00 0.00 173.10 175.15 3k8d s GLU 64 N -3.40 4.67 0.00 2.90 2.12 -1.26 -3.97 118.70 119.77 3k8d s GLU 64 Ca 0.40 1.31 0.08 0.00 0.36 0.00 0.00 54.97 57.12 3k8d s GLU 64 Cb -0.11 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3k8d s GLU 64 CO 0.29 0.41 -0.24 0.08 -0.54 0.00 0.00 175.26 175.26 3k8d s VAL 65 N -0.67 1.94 -0.19 3.70 1.01 -1.26 -0.84 120.40 124.09 3k8d s VAL 65 Ca 0.41 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3k8d s VAL 65 Cb -0.24 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.55 3k8d s VAL 65 CO 0.28 0.47 -0.15 0.00 0.00 0.00 0.00 175.10 175.69 3k8d s MET 67 N 1.33 4.22 0.17 0.00 -1.94 -1.26 -1.87 119.30 119.96 3k8d s MET 67 Ca 0.02 1.72 -0.02 0.00 -1.71 0.00 0.00 55.69 55.70 3k8d s MET 67 Cb -0.15 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 3k8d s MET 67 CO -0.10 -0.14 0.13 0.95 -0.01 0.00 0.00 175.02 175.85 3k8d s THR 68 N -1.44 0.04 0.50 2.05 -4.23 0.16 -4.88 115.64 107.85 3k8d s THR 68 Ca 0.54 -1.88 -0.23 0.00 -1.18 0.00 0.00 61.69 58.95 3k8d s THR 68 Cb -0.28 -2.26 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 3k8d s THR 68 CO 0.35 -0.20 1.30 -0.13 -0.54 0.00 0.00 174.62 175.40 3k8d s ARG 69 N -4.09 3.42 0.35 3.99 0.52 -1.26 -4.40 118.95 117.48 3k8d s ARG 69 Ca 0.31 2.09 0.27 0.00 -0.52 0.00 0.00 55.73 57.88 3k8d s ARG 69 Cb 0.06 -2.36 1.07 0.00 0.52 0.00 0.00 34.95 34.25 3k8d s ARG 69 CO 0.07 -0.92 1.80 0.00 0.02 0.00 0.00 175.30 176.27 3k8d h ALA 70 N 1.77 1.00 -0.01 2.13 0.00 -1.95 -3.30 119.26 118.89 3k8d h ALA 70 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3k8d h ALA 70 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3k8d h ALA 70 CO 0.59 0.00 -0.14 -0.40 0.00 0.00 0.00 179.25 179.30 3k8d n ASP 71 N -2.54 1.49 -4.73 0.00 5.75 -1.26 -4.89 116.55 110.36 3k8d n ASP 71 Ca 0.02 -1.30 -0.41 0.00 -0.01 0.00 0.00 54.79 53.08 3k8d n ASP 71 Cb 0.28 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3k8d n ASP 71 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3k8d n HIS 72 N -0.06 2.53 0.76 2.11 8.25 -1.24 -4.92 115.22 122.63 3k8d n HIS 72 Ca 0.15 0.49 0.09 0.00 -0.26 0.00 0.00 57.72 58.19 3k8d n HIS 72 Cb 0.38 -2.45 0.06 0.00 1.12 0.00 0.00 29.99 29.10 3k8d n HIS 72 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k8d n GLN 73 N 0.31 1.54 -3.67 -0.41 1.13 -1.26 -4.98 117.38 110.03 3k8d n GLN 73 Ca 0.04 -1.41 -0.09 0.00 -1.94 0.00 0.00 57.00 53.60 3k8d n GLN 73 Cb 0.38 -1.34 -0.02 0.00 0.11 0.00 0.00 30.24 29.38 3k8d n GLN 73 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3k8d s SER 74 N -1.62 -0.39 0.26 1.08 1.04 -1.26 -5.02 113.70 107.80 3k8d s SER 74 Ca 0.20 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.24 3k8d s SER 74 Cb 0.15 0.66 0.32 0.00 0.10 0.00 0.00 66.02 67.25 3k8d s SER 74 CO 0.27 -1.17 1.87 1.23 0.98 0.00 0.00 173.24 176.42 3k8d h GLY 75 N 2.00 1.17 0.98 7.32 0.00 -1.94 -1.59 103.07 111.01 3k8d h GLY 75 Ca -0.25 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 3k8d h GLY 75 CO 0.29 0.53 0.24 -0.84 0.00 0.00 0.00 176.54 176.77 3k8d h THR 76 N 1.09 1.21 -0.41 4.70 2.02 -1.99 0.11 112.91 119.64 3k8d h THR 76 Ca 0.27 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.84 3k8d h THR 76 Cb 0.08 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3k8d h THR 76 CO -0.04 0.25 0.24 -0.33 0.37 0.00 0.00 175.52 176.01 3k8d h GLU 77 N 0.76 0.46 -0.90 6.66 5.08 -1.89 -2.70 114.58 122.05 3k8d h GLU 77 Ca 0.19 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3k8d h GLU 77 Cb 0.16 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3k8d h GLU 77 CO -0.02 0.31 0.59 -0.09 -1.00 0.00 0.00 179.01 178.80 3k8d h ARG 78 N 0.48 1.14 -0.10 2.33 2.43 -0.88 -1.67 114.38 118.10 3k8d h ARG 78 Ca 0.17 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3k8d h ARG 78 Cb 0.02 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3k8d h ARG 78 CO -0.09 0.76 0.07 -0.07 -1.51 0.00 0.00 179.97 179.13 3k8d h LEU 79 N 1.18 0.01 -0.79 3.80 4.07 -0.67 -2.25 115.31 120.66 3k8d h LEU 79 Ca 0.35 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.24 3k8d h LEU 79 Cb -0.06 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 3k8d h LEU 79 CO -0.10 0.01 0.11 0.00 -1.08 0.00 0.00 178.44 177.38 3k8d h ALA 80 N 1.95 1.00 -0.70 1.53 0.00 -1.06 -0.41 119.26 121.57 3k8d h ALA 80 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3k8d h ALA 80 Cb 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3k8d h ALA 80 CO -0.00 0.64 0.35 1.49 0.00 0.00 0.00 179.25 181.72 3k8d h GLU 81 N 0.97 1.00 -0.72 0.00 4.81 -1.44 -2.24 114.58 116.95 3k8d h GLU 81 Ca 0.20 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3k8d h GLU 81 Cb 0.40 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3k8d h GLU 81 CO 0.01 0.77 0.42 0.28 -0.73 0.00 0.00 179.01 179.77 3k8d h VAL 82 N 0.97 1.21 -0.33 0.32 2.07 -1.26 -1.38 116.25 117.85 3k8d h VAL 82 Ca 0.24 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3k8d h VAL 82 Cb 0.09 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3k8d h VAL 82 CO -0.03 0.23 0.01 0.58 0.02 0.00 0.00 177.57 178.37 3k8d h VAL 83 N 0.99 1.19 0.10 2.57 2.07 -0.74 -1.07 116.25 121.36 3k8d h VAL 83 Ca 0.26 -0.74 -0.28 0.00 0.82 0.00 0.00 66.70 66.76 3k8d h VAL 83 Cb -0.01 0.93 0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3k8d h VAL 83 CO -0.05 0.26 -1.14 -0.33 0.02 0.00 0.00 177.57 176.32 3k8d h GLU 84 N 0.49 0.59 -0.46 1.57 4.39 -1.15 -1.83 114.58 118.18 3k8d h GLU 84 Ca 0.11 -0.78 -0.02 0.00 0.34 0.00 0.00 59.36 59.01 3k8d h GLU 84 Cb 0.31 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3k8d h GLU 84 CO 0.01 1.35 0.20 0.87 -1.16 0.00 0.00 179.01 180.27 3k8d h LYS 85 N 0.20 0.65 -0.02 2.33 6.56 -0.95 -1.82 116.57 123.52 3k8d h LYS 85 Ca -0.17 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 3k8d h LYS 85 Cb 1.83 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 33.37 3k8d h LYS 85 CO 0.22 0.52 -0.09 0.00 -2.06 0.00 0.00 179.45 178.04 3k8d n ALA 87 N 0.15 -1.79 -1.77 0.00 0.00 -0.68 -4.90 120.51 111.52 3k8d n ALA 87 Ca 0.16 -0.27 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 3k8d n ALA 87 Cb 0.40 -1.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 3k8d n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k8d s PHE 88 N -3.92 2.79 0.70 0.00 0.08 -0.90 -5.00 117.98 111.73 3k8d s PHE 88 Ca 0.22 1.42 -0.14 0.00 0.12 0.00 0.00 56.93 58.56 3k8d s PHE 88 Cb -0.13 -3.64 0.02 0.00 -0.57 0.00 0.00 43.02 38.70 3k8d s PHE 88 CO 0.95 -2.07 1.12 -1.54 -0.10 0.00 0.00 175.22 173.58 3k8d s SER 89 N -0.83 4.79 0.48 1.36 1.04 -1.26 -4.92 113.70 114.36 3k8d s SER 89 Ca 0.59 2.03 0.24 0.00 0.48 0.00 0.00 55.95 59.29 3k8d s SER 89 Cb -0.37 -2.55 1.29 0.00 0.10 0.00 0.00 66.02 64.49 3k8d s SER 89 CO 0.47 -1.84 1.89 0.44 0.98 0.00 0.00 173.24 175.18 3k8d h ASP 90 N -0.28 0.18 0.25 7.02 3.32 -1.94 -1.96 116.42 123.01 3k8d h ASP 90 Ca -0.46 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3k8d h ASP 90 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3k8d h ASP 90 CO 0.52 0.07 -0.11 0.47 -1.72 0.00 0.00 179.24 178.47 3k8d n ASP 91 N -4.39 0.69 -4.70 6.45 10.43 -1.26 -0.90 116.55 122.87 3k8d n ASP 91 Ca 0.17 -0.80 -0.42 0.00 2.57 0.00 0.00 54.79 56.31 3k8d n ASP 91 Cb 0.78 -0.01 -0.03 0.00 1.84 0.00 0.00 41.12 43.70 3k8d n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3k8d s THR 92 N -2.37 2.77 -0.22 -3.53 2.01 -0.74 -4.79 115.64 108.77 3k8d s THR 92 Ca 0.31 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 3k8d s THR 92 Cb 0.20 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.47 3k8d s THR 92 CO 0.46 0.01 1.04 -0.69 -0.69 0.00 0.00 174.62 174.75 3k8d s VAL 93 N 2.06 4.68 -0.12 3.82 1.01 -1.26 -0.76 120.40 129.84 3k8d s VAL 93 Ca 0.74 2.03 -0.01 0.00 0.00 0.00 0.00 61.98 64.74 3k8d s VAL 93 Cb -0.43 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 3k8d s VAL 93 CO 0.32 -0.17 -0.09 -0.63 0.00 0.00 0.00 175.10 174.54 3k8d s ILE 94 N 3.12 3.45 -0.26 2.22 -1.09 -0.38 -1.16 121.20 127.11 3k8d s ILE 94 Ca 0.44 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 3k8d s ILE 94 Cb -0.15 -2.45 0.01 0.00 -1.58 0.00 0.00 42.46 38.29 3k8d s ILE 94 CO 0.07 0.54 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.61 3k8d s VAL 95 N -0.02 3.29 -0.55 2.92 1.01 0.29 -1.39 120.40 125.96 3k8d s VAL 95 Ca -0.01 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 3k8d s VAL 95 Cb -0.14 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.62 3k8d s VAL 95 CO 0.03 0.21 1.31 0.21 0.00 0.00 0.00 175.10 176.87 3k8d s ASN 96 N 1.41 6.31 -0.45 3.32 3.84 0.76 -1.76 114.94 128.37 3k8d s ASN 96 Ca 0.02 0.29 -0.15 0.00 0.21 0.00 0.00 52.86 53.24 3k8d s ASN 96 Cb -0.16 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 38.05 3k8d s ASN 96 CO -0.02 -1.56 0.35 -0.69 -2.79 0.00 0.00 177.10 172.39 3k8d s VAL 97 N 5.45 5.15 0.55 -5.21 1.01 -1.09 -1.13 120.40 125.13 3k8d s VAL 97 Ca 0.49 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 3k8d s VAL 97 Cb -0.09 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3k8d s VAL 97 CO 0.27 -0.49 1.36 -1.10 0.00 0.00 0.00 175.10 175.14 3k8d s GLN 98 N 1.63 3.08 0.00 2.72 -0.21 -0.71 -4.24 119.66 121.94 3k8d s GLN 98 Ca 0.04 2.25 0.09 0.00 0.02 0.00 0.00 55.36 57.76 3k8d s GLN 98 Cb -0.23 -2.23 0.42 0.00 1.00 0.00 0.00 33.01 31.97 3k8d s GLN 98 CO 0.07 -1.24 1.25 0.41 -2.12 0.00 0.00 175.29 173.67 3k8d n GLY 99 N 0.74 -0.74 1.52 3.09 0.00 -1.17 -2.23 105.19 106.40 3k8d n GLY 99 Ca 0.11 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.17 3k8d n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8d n ASP 100 N -1.43 4.50 -3.03 1.61 5.75 -1.26 -4.62 116.55 118.08 3k8d n ASP 100 Ca 0.03 -2.53 -0.26 0.00 -0.01 0.00 0.00 54.79 52.02 3k8d n ASP 100 Cb 0.10 -0.58 -0.05 0.00 -1.03 0.00 0.00 41.12 39.56 3k8d n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k8d n GLU 101 N 0.82 2.96 0.12 0.11 -0.58 -0.95 -0.42 120.64 122.70 3k8d n GLU 101 Ca 0.23 -4.72 0.11 0.00 -0.42 0.00 0.00 57.16 52.37 3k8d n GLU 101 Cb 0.89 -2.19 0.47 0.00 -0.57 0.00 0.00 31.44 30.04 3k8d n GLU 101 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3k8d n PRO 102 N -0.04 0.18 -0.13 3.49 -0.04 -1.26 -2.53 135.00 134.66 3k8d n PRO 102 Ca 0.30 0.41 0.09 0.00 -0.04 0.00 0.00 63.50 64.26 3k8d n PRO 102 Cb 0.41 -1.84 0.15 0.00 -0.04 0.00 0.00 33.50 32.19 3k8d n PRO 102 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3k8d n MET 103 N -2.17 2.06 -1.95 0.54 2.81 -1.26 -4.51 117.12 112.64 3k8d n MET 103 Ca 0.02 -1.91 -0.42 0.00 -1.81 0.00 0.00 57.70 53.58 3k8d n MET 103 Cb 0.22 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 3k8d n MET 103 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3k8d s ILE 104 N -1.22 2.71 0.37 2.02 2.07 -1.05 -4.80 121.20 121.30 3k8d s ILE 104 Ca 0.27 0.48 -0.27 0.00 -1.41 0.00 0.00 60.65 59.72 3k8d s ILE 104 Cb 0.16 -3.30 -0.09 0.00 0.13 0.00 0.00 42.46 39.35 3k8d s ILE 104 CO 0.23 0.03 1.28 -2.84 -1.91 0.00 0.00 174.94 171.73 3k8d s PRO 105 N 1.32 4.18 0.39 3.50 0.02 -1.26 -4.86 135.00 138.29 3k8d s PRO 105 Ca 0.70 2.13 0.14 0.00 0.02 0.00 0.00 61.00 63.99 3k8d s PRO 105 Cb -0.43 -2.90 0.97 0.00 0.02 0.00 0.00 34.50 32.16 3k8d s PRO 105 CO 0.31 -0.31 1.85 0.00 -0.33 0.00 0.00 177.00 178.52 3k8d h ALA 106 N 3.03 2.04 0.00 -1.55 0.00 -1.90 -1.44 119.26 119.44 3k8d h ALA 106 Ca -0.49 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3k8d h ALA 106 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3k8d h ALA 106 CO 0.64 -0.33 -0.32 0.00 0.00 0.00 0.00 179.25 179.24 3k8d h THR 107 N 0.52 0.89 -0.26 0.00 1.03 -1.90 -1.86 112.91 111.33 3k8d h THR 107 Ca 0.48 -1.25 -0.17 0.00 -0.01 0.00 0.00 66.41 65.46 3k8d h THR 107 Cb 1.02 1.75 -0.00 0.00 -1.07 0.00 0.00 68.15 69.85 3k8d h THR 107 CO -0.21 0.31 -0.51 0.40 -0.01 0.00 0.00 175.52 175.50 3k8d h ILE 108 N 0.00 1.29 -0.09 0.00 1.08 -1.64 -1.45 117.51 116.70 3k8d h ILE 108 Ca -0.00 -1.72 -0.00 0.00 -0.39 0.00 0.00 64.86 62.75 3k8d h ILE 108 Cb 0.73 1.64 -0.00 0.00 -3.07 0.00 0.00 36.82 36.11 3k8d h ILE 108 CO 0.04 0.55 0.05 0.40 -0.69 0.00 0.00 178.15 178.51 3k8d h ILE 109 N 0.58 1.07 -0.88 -0.67 2.04 -1.14 -2.18 117.51 116.32 3k8d h ILE 109 Ca 0.02 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3k8d h ILE 109 Cb 1.09 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3k8d h ILE 109 CO 0.11 0.06 0.51 0.03 0.00 0.00 0.00 178.15 178.86 3k8d h ARG 110 N 0.07 1.20 -0.80 2.37 3.08 -1.35 -2.91 114.38 116.05 3k8d h ARG 110 Ca 0.03 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3k8d h ARG 110 Cb 0.05 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 3k8d h ARG 110 CO -0.01 0.86 0.35 0.37 -1.07 0.00 0.00 179.97 180.47 3k8d h GLN 111 N 1.22 1.17 -0.45 0.04 4.15 -1.02 -1.17 115.11 119.04 3k8d h GLN 111 Ca 0.31 -0.19 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 3k8d h GLN 111 Cb -0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 3k8d h GLN 111 CO -0.06 0.92 -0.03 0.28 -1.93 0.00 0.00 178.83 178.02 3k8d h VAL 112 N 1.15 1.27 -0.66 2.39 2.07 -1.22 0.91 116.25 122.16 3k8d h VAL 112 Ca 0.27 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3k8d h VAL 112 Cb 0.16 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3k8d h VAL 112 CO -0.03 0.38 0.39 0.00 0.02 0.00 0.00 177.57 178.32 3k8d h ALA 113 N 0.90 0.85 -0.29 1.67 0.00 -1.33 -0.97 119.26 120.08 3k8d h ALA 113 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3k8d h ALA 113 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3k8d h ALA 113 CO 0.03 0.34 0.07 0.22 0.00 0.00 0.00 179.25 179.91 3k8d h ASP 114 N 0.90 0.44 -0.64 0.00 1.82 -1.02 -2.18 116.42 115.74 3k8d h ASP 114 Ca 0.24 -0.23 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 3k8d h ASP 114 Cb -0.00 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 39.86 3k8d h ASP 114 CO -0.04 0.56 0.26 0.78 -1.61 0.00 0.00 179.24 179.19 3k8d h ASN 115 N 0.31 0.88 -0.17 2.28 -0.26 -0.60 -1.69 115.58 116.33 3k8d h ASN 115 Ca 0.09 -0.17 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 3k8d h ASN 115 Cb 0.29 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 3k8d h ASN 115 CO 0.00 0.81 0.11 0.25 -1.06 0.00 0.00 177.43 177.54 3k8d h LEU 116 N 0.90 0.21 -1.23 1.61 7.12 -1.12 -2.89 115.31 119.90 3k8d h LEU 116 Ca 0.21 -0.04 -0.05 0.00 0.13 0.00 0.00 57.88 58.14 3k8d h LEU 116 Cb 0.20 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.26 3k8d h LEU 116 CO -0.02 0.18 -0.02 0.00 -0.13 0.00 0.00 178.44 178.45 3k8d h ALA 117 N 1.03 1.37 -0.00 1.25 0.00 -1.20 -2.61 119.26 119.10 3k8d h ALA 117 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k8d h ALA 117 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k8d h ALA 117 CO -0.01 0.44 -0.03 1.04 0.00 0.00 0.00 179.25 180.68 3k8d n GLN 118 N -4.27 0.94 -4.31 0.00 6.02 -0.65 -4.87 117.38 110.24 3k8d n GLN 118 Ca 0.01 -0.23 -0.24 0.00 -0.01 0.00 0.00 57.00 56.54 3k8d n GLN 118 Cb 0.25 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.90 3k8d n GLN 118 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k8d s ARG 119 N -2.21 1.20 0.00 -1.09 0.52 -0.98 -5.00 118.95 111.38 3k8d s ARG 119 Ca 0.38 -1.26 0.12 0.00 -0.52 0.00 0.00 55.73 54.45 3k8d s ARG 119 Cb 0.21 -1.43 0.74 0.00 0.52 0.00 0.00 34.95 34.99 3k8d s ARG 119 CO 0.41 0.32 1.40 0.00 0.02 0.00 0.00 175.30 177.45 3k8d n GLN 120 N 0.81 0.91 -2.64 3.54 -0.00 -1.26 -4.85 117.38 113.89 3k8d n GLN 120 Ca -0.17 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.47 3k8d n GLN 120 Cb 0.55 -1.21 -0.05 0.00 -0.00 0.00 0.00 30.24 29.52 3k8d n GLN 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3k8d s VAL 121 N -2.00 3.94 -0.16 -0.39 0.11 -1.26 -4.97 120.40 115.67 3k8d s VAL 121 Ca 0.19 1.44 0.20 0.00 -2.93 0.00 0.00 61.98 60.88 3k8d s VAL 121 Cb 0.08 -3.72 0.19 0.00 -1.53 0.00 0.00 36.38 31.40 3k8d s VAL 121 CO 0.14 -0.03 1.60 1.23 -3.33 0.00 0.00 175.10 174.71 3k8d h GLY 122 N 2.49 0.00 -5.35 6.54 0.00 -1.89 -3.46 103.07 101.40 3k8d h GLY 122 Ca -0.48 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 3k8d h GLY 122 CO 0.62 0.00 -0.28 -0.29 0.00 0.00 0.00 176.54 176.60 3k8d s MET 123 N -3.21 0.43 0.07 4.80 -2.45 -1.26 -4.27 119.30 113.41 3k8d s MET 123 Ca 0.04 0.58 0.05 0.00 -1.25 0.00 0.00 55.69 55.11 3k8d s MET 123 Cb 0.08 0.16 -0.03 0.00 1.25 0.00 0.00 34.83 36.29 3k8d s MET 123 CO 0.69 -0.08 -0.13 0.00 1.05 0.00 0.00 175.02 176.55 3k8d s ALA 124 N 0.46 1.14 0.00 4.11 0.00 -0.21 -1.83 121.76 125.43 3k8d s ALA 124 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3k8d s ALA 124 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3k8d s ALA 124 CO -0.02 0.14 0.00 -2.37 0.00 0.00 0.00 175.76 173.50 3k8d n THR 125 N 1.21 0.00 -3.76 0.00 5.66 -0.15 -0.38 114.28 116.86 3k8d n THR 125 Ca -0.21 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.67 3k8d n THR 125 Cb 0.54 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.25 3k8d n THR 125 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3k8d s LEU 126 N 0.00 0.90 0.07 1.09 0.20 -1.26 -1.63 118.68 118.05 3k8d s LEU 126 Ca 0.00 -0.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.70 3k8d s LEU 126 Cb 0.00 1.30 -0.04 0.00 -0.43 0.00 0.00 46.19 47.02 3k8d s LEU 126 CO 0.00 -0.55 -0.01 0.00 -0.29 0.00 0.00 176.35 175.50 3k8d s ALA 127 N -2.13 0.60 0.01 5.97 0.00 -0.28 -1.79 121.76 124.14 3k8d s ALA 127 Ca -0.08 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 50.65 3k8d s ALA 127 Cb -0.02 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 3k8d s ALA 127 CO -0.01 -0.40 -0.13 0.54 0.00 0.00 0.00 175.76 175.76 3k8d s VAL 128 N -3.95 1.05 0.27 0.00 0.11 -0.17 -1.07 120.40 116.66 3k8d s VAL 128 Ca 0.11 -0.76 -0.30 0.00 -2.93 0.00 0.00 61.98 58.11 3k8d s VAL 128 Cb 0.08 -0.92 -0.10 0.00 -1.53 0.00 0.00 36.38 33.91 3k8d s VAL 128 CO -0.07 0.15 1.38 -2.84 -3.33 0.00 0.00 175.10 170.39 3k8d s PRO 129 N -0.70 4.31 -0.16 1.54 0.02 -1.26 -0.31 135.00 138.45 3k8d s PRO 129 Ca 0.03 2.24 -0.17 0.00 0.02 0.00 0.00 61.00 63.13 3k8d s PRO 129 Cb -0.06 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3k8d s PRO 129 CO 0.00 -0.32 0.44 0.42 -0.33 0.00 0.00 177.00 177.21 3k8d s ILE 130 N -0.41 5.19 -0.20 2.83 1.01 -0.51 -4.83 121.20 124.29 3k8d s ILE 130 Ca 0.55 0.83 0.13 0.00 0.00 0.00 0.00 60.65 62.16 3k8d s ILE 130 Cb -0.40 -3.77 0.44 0.00 0.01 0.00 0.00 42.46 38.73 3k8d s ILE 130 CO 0.46 0.29 1.20 1.41 0.00 0.00 0.00 174.94 178.30 3k8d n HIS 131 N 4.08 0.69 -3.81 3.97 8.25 -1.26 -4.60 115.22 122.54 3k8d n HIS 131 Ca -0.08 -1.54 -0.12 0.00 -0.26 0.00 0.00 57.72 55.72 3k8d n HIS 131 Cb 0.51 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 3k8d n HIS 131 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k8d s ASN 132 N -3.15 -0.15 0.33 0.41 2.20 -1.26 -5.06 114.94 108.26 3k8d s ASN 132 Ca 0.39 0.18 0.12 0.00 -0.94 0.00 0.00 52.86 52.62 3k8d s ASN 132 Cb 0.38 0.36 0.55 0.00 -2.00 0.00 0.00 41.25 40.54 3k8d s ASN 132 CO -0.06 -0.24 1.72 0.00 -2.94 0.00 0.00 177.10 175.58 3k8d h ALA 133 N 4.96 1.14 0.18 3.54 0.00 -1.94 -3.15 119.26 123.99 3k8d h ALA 133 Ca -0.28 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.20 3k8d h ALA 133 Cb 1.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3k8d h ALA 133 CO 0.38 0.61 -0.36 1.05 0.00 0.00 0.00 179.25 180.93 3k8d h GLU 134 N 0.00 -0.61 -0.18 0.00 -0.00 -1.94 -2.61 114.58 109.24 3k8d h GLU 134 Ca -0.00 0.04 -0.09 0.00 -0.00 0.00 0.00 59.36 59.31 3k8d h GLU 134 Cb 0.89 0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 29.77 3k8d h GLU 134 CO 0.06 -0.41 -0.26 0.93 -0.00 0.00 0.00 179.01 179.34 3k8d h GLU 135 N -0.64 0.34 -0.44 1.06 5.08 -1.93 -2.43 114.58 115.62 3k8d h GLU 135 Ca 0.01 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3k8d h GLU 135 Cb 0.64 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3k8d h GLU 135 CO -0.17 0.58 0.29 0.00 -1.00 0.00 0.00 179.01 178.71 3k8d h ALA 136 N 1.42 1.69 -0.39 3.43 0.00 -1.45 -2.86 119.26 121.10 3k8d h ALA 136 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k8d h ALA 136 Cb 0.63 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3k8d h ALA 136 CO 0.04 0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.77 3k8d n PHE 137 N -4.47 0.51 -3.20 0.00 3.01 -1.01 -4.54 117.46 107.77 3k8d n PHE 137 Ca 0.04 -0.34 -0.42 0.00 1.01 0.00 0.00 57.45 57.74 3k8d n PHE 137 Cb 0.06 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.45 3k8d n PHE 137 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3k8d s ASN 138 N -1.17 6.35 0.04 4.37 3.84 -0.94 -4.96 114.94 122.47 3k8d s ASN 138 Ca 0.33 0.01 0.13 0.00 0.21 0.00 0.00 52.86 53.53 3k8d s ASN 138 Cb 0.18 -2.29 0.55 0.00 -0.55 0.00 0.00 41.25 39.14 3k8d s ASN 138 CO 0.25 -0.53 1.40 -0.81 -2.79 0.00 0.00 177.10 174.63 3k8d n PRO 139 N 5.85 0.03 0.05 0.43 -0.04 -1.26 -0.85 135.00 139.20 3k8d n PRO 139 Ca -0.04 0.33 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 3k8d n PRO 139 Cb 0.49 -1.56 0.53 0.00 -0.04 0.00 0.00 33.50 32.92 3k8d n PRO 139 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k8d n ASN 140 N -1.61 0.35 -4.56 3.54 3.02 -1.26 -4.60 115.26 110.15 3k8d n ASN 140 Ca 0.02 0.53 -0.40 0.00 -0.03 0.00 0.00 54.58 54.71 3k8d n ASN 140 Cb 0.14 -0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 38.58 3k8d n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k8d s ALA 141 N -3.04 3.52 -0.14 5.41 0.00 -0.03 -5.03 121.76 122.45 3k8d s ALA 141 Ca 0.13 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.63 3k8d s ALA 141 Cb 0.16 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 3k8d s ALA 141 CO 0.56 -0.86 0.85 0.08 0.00 0.00 0.00 175.76 176.39 3k8d s VAL 142 N 1.85 4.89 0.16 0.00 1.01 -1.26 -4.76 120.40 122.29 3k8d s VAL 142 Ca 0.09 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.71 3k8d s VAL 142 Cb -0.17 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3k8d s VAL 142 CO 0.11 0.06 0.39 -0.54 0.00 0.00 0.00 175.10 175.11 3k8d s LYS 143 N 1.92 3.61 0.02 2.72 3.01 -0.00 -0.48 119.74 130.55 3k8d s LYS 143 Ca 0.40 -0.10 0.03 0.00 -1.01 0.00 0.00 55.97 55.29 3k8d s LYS 143 Cb -0.17 -2.83 -0.02 0.00 -1.01 0.00 0.00 37.83 33.80 3k8d s LYS 143 CO 0.15 0.44 -0.08 0.54 0.51 0.00 0.00 175.35 176.91 3k8d s VAL 144 N -1.70 0.63 -0.08 3.17 0.11 -0.94 -1.04 120.40 120.56 3k8d s VAL 144 Ca 0.41 -0.72 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 3k8d s VAL 144 Cb -0.12 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 3k8d s VAL 144 CO 0.25 -0.08 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.00 3k8d s VAL 145 N -0.75 2.03 0.21 2.04 1.01 -0.87 -4.31 120.40 119.76 3k8d s VAL 145 Ca -0.02 -1.03 0.09 0.00 0.00 0.00 0.00 61.98 61.01 3k8d s VAL 145 Cb -0.06 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3k8d s VAL 145 CO 0.00 0.56 -0.02 -0.76 0.00 0.00 0.00 175.10 174.88 3k8d s LEU 146 N 0.06 3.20 0.00 3.92 1.43 -1.26 -0.23 118.68 125.80 3k8d s LEU 146 Ca -0.10 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 3k8d s LEU 146 Cb -0.16 -1.81 0.17 0.00 0.03 0.00 0.00 46.19 44.43 3k8d s LEU 146 CO 0.06 0.06 1.08 -0.90 0.23 0.00 0.00 176.35 176.88 3k8d n ASP 147 N -0.41 0.77 0.20 2.29 5.68 0.26 -4.79 116.55 120.56 3k8d n ASP 147 Ca -0.09 -1.81 0.13 0.00 -0.50 0.00 0.00 54.79 52.52 3k8d n ASP 147 Cb 0.57 -0.76 0.71 0.00 -1.14 0.00 0.00 41.12 40.49 3k8d n ASP 147 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k8d h ALA 148 N -1.12 2.02 -0.01 2.12 0.00 -2.01 -1.01 119.26 119.24 3k8d h ALA 148 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3k8d h ALA 148 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3k8d h ALA 148 CO 0.32 -0.17 -0.20 0.39 0.00 0.00 0.00 179.25 179.58 3k8d n GLU 149 N -4.32 1.26 -0.44 0.00 1.02 -1.26 -4.95 120.64 111.95 3k8d n GLU 149 Ca 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 3k8d n GLU 149 Cb 0.22 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3k8d n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8d n GLY 150 N 1.31 0.75 3.78 0.62 0.00 -0.38 -4.96 105.19 106.32 3k8d n GLY 150 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3k8d n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k8d s TYR 151 N -2.40 3.31 0.11 1.61 2.02 -1.26 -1.01 117.35 119.73 3k8d s TYR 151 Ca 0.00 1.65 -0.31 0.00 -0.37 0.00 0.00 57.07 58.04 3k8d s TYR 151 Cb 0.00 -3.10 -0.08 0.00 -0.40 0.00 0.00 41.96 38.38 3k8d s TYR 151 CO 0.00 -0.53 1.35 0.00 -1.57 0.00 0.00 175.55 174.80 3k8d s ALA 152 N -1.67 3.56 -0.02 3.71 0.00 -0.14 -0.57 121.76 126.62 3k8d s ALA 152 Ca 0.57 1.08 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 3k8d s ALA 152 Cb -0.21 -3.52 -0.33 0.00 0.00 0.00 0.00 23.12 19.06 3k8d s ALA 152 CO 0.27 -0.58 0.90 -0.07 0.00 0.00 0.00 175.76 176.28 3k8d h LEU 153 N 6.73 0.63 -7.00 0.00 3.38 -0.92 -3.44 115.31 114.69 3k8d h LEU 153 Ca -0.42 -0.93 0.03 0.00 0.09 0.00 0.00 57.88 56.64 3k8d h LEU 153 Cb 1.21 -0.20 -0.21 0.00 0.09 0.00 0.00 40.66 41.54 3k8d h LEU 153 CO 0.85 1.56 0.41 -0.47 0.09 0.00 0.00 178.44 180.88 3k8d s TYR 154 N -2.51 -0.48 -0.03 1.13 5.04 -1.20 -5.03 117.35 114.27 3k8d s TYR 154 Ca -0.12 0.82 0.06 0.00 -2.44 0.00 0.00 57.07 55.39 3k8d s TYR 154 Cb 0.03 0.44 -0.02 0.00 0.35 0.00 0.00 41.96 42.75 3k8d s TYR 154 CO 0.88 -0.44 -0.22 -0.06 -1.34 0.00 0.00 175.55 174.36 3k8d s PHE 155 N -1.15 2.46 0.05 4.97 0.08 -1.26 -2.05 117.98 121.08 3k8d s PHE 155 Ca -0.05 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.44 3k8d s PHE 155 Cb -0.00 -1.54 0.05 0.00 -0.57 0.00 0.00 43.02 40.95 3k8d s PHE 155 CO 0.05 0.04 0.50 0.45 -0.10 0.00 0.00 175.22 176.16 3k8d s SER 156 N -0.65 -0.41 0.17 1.36 0.15 -0.20 -4.99 113.70 109.13 3k8d s SER 156 Ca 0.10 0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.15 3k8d s SER 156 Cb -0.10 0.48 0.71 0.00 -1.71 0.00 0.00 66.02 65.40 3k8d s SER 156 CO -0.00 -0.71 1.66 0.54 1.20 0.00 0.00 173.24 175.93 3k8d n ARG 157 N 0.42 0.25 -1.37 5.44 1.74 -1.26 -0.82 116.66 121.06 3k8d n ARG 157 Ca -0.18 0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 3k8d n ARG 157 Cb 0.60 -1.76 0.09 0.00 -1.02 0.00 0.00 32.46 30.38 3k8d n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k8d s ALA 158 N -3.11 2.21 -1.00 7.54 0.00 -1.26 -4.22 121.76 121.92 3k8d s ALA 158 Ca 0.10 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 3k8d s ALA 158 Cb 0.13 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 20.11 3k8d s ALA 158 CO 0.63 -1.75 1.38 0.99 0.00 0.00 0.00 175.76 177.01 3k8d s THR 159 N -2.99 4.10 0.05 0.00 2.01 -1.26 -4.65 115.64 112.91 3k8d s THR 159 Ca 0.61 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.73 3k8d s THR 159 Cb -0.16 -5.00 -0.03 0.00 0.01 0.00 0.00 72.50 67.32 3k8d s THR 159 CO 0.56 -1.84 -0.23 0.27 -0.69 0.00 0.00 174.62 172.68 3k8d s ILE 160 N 4.46 1.86 0.24 1.82 -4.36 -1.26 -3.23 121.20 120.73 3k8d s ILE 160 Ca 0.43 -1.30 -0.30 0.00 -0.26 0.00 0.00 60.65 59.22 3k8d s ILE 160 Cb -0.01 -1.61 -0.09 0.00 1.25 0.00 0.00 42.46 42.00 3k8d s ILE 160 CO -0.10 0.25 1.14 -2.16 0.24 0.00 0.00 174.94 174.31 3k8d s PRO 161 N -1.26 4.57 0.04 0.37 0.04 -1.26 -4.62 135.00 132.88 3k8d s PRO 161 Ca 0.09 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 3k8d s PRO 161 Cb -0.09 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 3k8d s PRO 161 CO 0.02 0.08 1.24 -0.46 0.04 0.00 0.00 177.00 177.92 3k8d s TRP 162 N -0.71 3.32 -0.72 0.56 -0.11 -1.20 -4.98 118.94 115.10 3k8d s TRP 162 Ca 0.48 1.21 -0.20 0.00 1.22 0.00 0.00 56.10 58.81 3k8d s TRP 162 Cb -0.32 -3.47 0.11 0.00 -1.50 0.00 0.00 33.47 28.28 3k8d s TRP 162 CO 0.40 -1.51 0.90 0.34 -4.62 0.00 0.00 176.95 172.46 3k8d s ASP 163 N 1.21 6.34 0.12 5.86 -1.08 -1.26 -4.94 116.67 122.92 3k8d s ASP 163 Ca 0.59 -1.55 -0.22 0.00 -0.52 0.00 0.00 52.55 50.86 3k8d s ASP 163 Cb -0.30 -2.36 -0.06 0.00 -1.46 0.00 0.00 42.92 38.75 3k8d s ASP 163 CO 0.28 -1.17 1.69 -0.09 0.52 0.00 0.00 175.17 176.40 3k8d h ARG 164 N 9.12 -0.12 -0.08 4.34 2.43 -1.98 -0.52 114.38 127.56 3k8d h ARG 164 Ca -0.14 0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.81 3k8d h ARG 164 Cb 1.06 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3k8d h ARG 164 CO 1.11 -0.08 -0.84 -0.44 -1.51 0.00 0.00 179.97 178.21 3k8d h ASP 165 N -0.12 0.88 -0.04 -3.80 3.32 -2.00 -2.12 116.42 112.54 3k8d h ASP 165 Ca 0.07 -0.68 -0.01 0.00 0.02 0.00 0.00 57.03 56.43 3k8d h ASP 165 Cb 0.22 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3k8d h ASP 165 CO -0.16 1.43 -0.00 -0.09 -1.72 0.00 0.00 179.24 178.69 3k8d h ARG 166 N 0.40 0.08 0.00 3.56 2.43 -1.92 -3.22 114.38 115.71 3k8d h ARG 166 Ca -0.08 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 3k8d h ARG 166 Cb 1.49 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 3k8d h ARG 166 CO 0.17 0.39 -0.21 0.74 -1.51 0.00 0.00 179.97 179.55 3k8d h PHE 167 N -0.23 0.00 0.00 2.20 0.04 -1.15 -1.89 116.94 115.90 3k8d h PHE 167 Ca 0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3k8d h PHE 167 Cb 0.35 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 3k8d h PHE 167 CO 0.04 0.21 -0.10 0.00 -0.60 0.00 0.00 178.31 177.86 3k8d h ALA 168 N 1.79 1.33 0.00 2.45 0.00 -1.39 -2.76 119.26 120.69 3k8d h ALA 168 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3k8d h ALA 168 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3k8d h ALA 168 CO 0.03 0.12 -1.50 0.39 0.00 0.00 0.00 179.25 178.29 3k8d n GLU 169 N -3.68 0.63 0.00 0.00 -0.58 -0.74 -5.05 120.64 111.21 3k8d n GLU 169 Ca -0.02 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3k8d n GLU 169 Cb 0.21 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 3k8d n GLU 169 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k8d n GLY 170 N 1.30 2.66 1.06 0.62 0.00 -1.04 -5.02 105.19 104.78 3k8d n GLY 170 Ca -0.06 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.16 3k8d n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k8d n LEU 171 N 0.00 4.08 0.17 0.99 4.32 -1.26 -4.02 117.00 121.29 3k8d n LEU 171 Ca 0.00 -2.79 0.09 0.00 -0.02 0.00 0.00 56.01 53.29 3k8d n LEU 171 Cb 0.00 -0.52 0.09 0.00 -1.62 0.00 0.00 43.42 41.37 3k8d n LEU 171 CO 0.00 0.69 0.54 1.05 -1.22 0.00 0.00 177.39 178.45 3k8d h GLU 172 N 2.37 0.00 -5.18 3.23 9.09 -1.95 -3.46 114.58 118.68 3k8d h GLU 172 Ca 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.05 3k8d h GLU 172 Cb 1.41 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.35 3k8d h GLU 172 CO 0.23 0.16 -0.73 0.95 0.05 0.00 0.00 179.01 179.66 3k8d s THR 173 N -3.14 1.21 0.06 -1.06 -4.23 -1.26 -4.77 115.64 102.45 3k8d s THR 173 Ca 0.04 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3k8d s THR 173 Cb 0.07 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.19 3k8d s THR 173 CO 0.72 -0.61 -0.11 0.68 -0.54 0.00 0.00 174.62 174.76 3k8d s VAL 174 N -2.82 0.79 0.00 2.29 -7.23 -1.26 -4.95 120.40 107.22 3k8d s VAL 174 Ca 0.13 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3k8d s VAL 174 Cb -0.01 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.11 3k8d s VAL 174 CO 0.02 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 3k8d n GLY 175 N 1.36 -0.97 2.03 2.32 0.00 -1.26 -4.97 105.19 103.70 3k8d n GLY 175 Ca -0.22 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 3k8d n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k8d n ASP 176 N 0.00 3.86 -0.70 1.61 8.00 -1.26 -4.55 116.55 123.50 3k8d n ASP 176 Ca 0.00 -3.67 0.08 0.00 0.71 0.00 0.00 54.79 51.92 3k8d n ASP 176 Cb 0.00 -0.81 0.09 0.00 -0.02 0.00 0.00 41.12 40.38 3k8d n ASP 176 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3k8d n ASN 177 N -1.12 2.50 -4.87 -2.24 0.23 -1.26 -5.00 115.26 103.51 3k8d n ASN 177 Ca 0.55 -1.73 -0.37 0.00 -0.53 0.00 0.00 54.58 52.50 3k8d n ASN 177 Cb 1.45 -0.04 -0.06 0.00 -2.08 0.00 0.00 39.78 39.06 3k8d n ASN 177 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 3k8d s PHE 178 N -1.35 3.63 -0.08 -2.53 0.40 -1.26 -4.63 117.98 112.16 3k8d s PHE 178 Ca 0.21 0.69 0.03 0.00 -0.60 0.00 0.00 56.93 57.26 3k8d s PHE 178 Cb 0.14 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.62 3k8d s PHE 178 CO 0.21 0.67 -0.15 -0.51 0.70 0.00 0.00 175.22 176.14 3k8d s LEU 179 N -1.25 1.75 -0.22 -0.37 1.43 -1.26 -1.42 118.68 117.34 3k8d s LEU 179 Ca 0.21 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3k8d s LEU 179 Cb -0.14 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 3k8d s LEU 179 CO 0.10 0.06 0.37 -0.60 0.23 0.00 0.00 176.35 176.51 3k8d s ARG 180 N 0.62 4.14 0.02 1.70 3.52 0.58 -2.21 118.95 127.31 3k8d s ARG 180 Ca -0.15 0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 3k8d s ARG 180 Cb -0.16 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3k8d s ARG 180 CO 0.05 -0.06 1.11 -1.58 -0.81 0.00 0.00 175.30 174.00 3k8d s HIS 181 N 1.40 3.51 0.27 5.12 5.65 0.37 -1.00 115.29 130.61 3k8d s HIS 181 Ca 0.17 1.45 -0.16 0.00 0.25 0.00 0.00 55.06 56.78 3k8d s HIS 181 Cb -0.15 -3.30 -0.08 0.00 -1.18 0.00 0.00 32.58 27.87 3k8d s HIS 181 CO 0.08 -0.77 0.70 -0.51 -0.65 0.00 0.00 174.74 173.59 3k8d s LEU 182 N 1.15 4.17 -1.52 8.88 1.02 -0.74 -4.68 118.68 126.97 3k8d s LEU 182 Ca 0.56 1.27 -0.12 0.00 0.02 0.00 0.00 54.13 55.86 3k8d s LEU 182 Cb -0.26 -3.84 -0.04 0.00 0.02 0.00 0.00 46.19 42.07 3k8d s LEU 182 CO 0.28 -0.10 2.63 0.61 0.02 0.00 0.00 176.35 179.78 3k8d n GLY 183 N 0.05 4.24 3.05 -3.19 0.00 -1.26 -4.69 105.19 103.39 3k8d n GLY 183 Ca 0.01 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 3k8d n GLY 183 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k8d s ILE 184 N 2.68 -0.02 -0.01 -0.61 2.07 -1.26 -1.74 121.20 122.31 3k8d s ILE 184 Ca 0.60 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.95 3k8d s ILE 184 Cb 0.16 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.43 3k8d s ILE 184 CO -0.07 0.03 -0.09 -0.31 -1.91 0.00 0.00 174.94 172.59 3k8d s TYR 185 N 0.72 0.85 -0.16 3.50 1.51 -0.28 -4.40 117.35 119.09 3k8d s TYR 185 Ca -0.05 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 3k8d s TYR 185 Cb -0.06 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 3k8d s TYR 185 CO -0.04 -0.01 -0.05 0.20 -1.11 0.00 0.00 175.55 174.54 3k8d s GLY 186 N -0.25 1.69 -0.07 0.71 0.00 0.48 -0.17 107.32 109.70 3k8d s GLY 186 Ca 0.03 -0.86 -0.26 0.00 0.00 0.00 0.00 44.72 43.64 3k8d s GLY 186 CO -0.00 -0.04 0.59 -2.52 0.00 0.00 0.00 173.10 171.13 3k8d s TYR 187 N 0.46 -0.56 0.63 1.90 -0.85 -0.48 -1.04 117.35 117.41 3k8d s TYR 187 Ca -0.04 1.03 -0.15 0.00 -0.52 0.00 0.00 57.07 57.39 3k8d s TYR 187 Cb -0.14 0.31 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 3k8d s TYR 187 CO 0.03 -0.51 1.08 1.03 -1.52 0.00 0.00 175.55 175.65 3k8d s ARG 188 N -0.96 3.05 0.37 -3.49 0.52 -1.26 -1.25 118.95 115.93 3k8d s ARG 188 Ca -0.10 1.24 0.09 0.00 -0.52 0.00 0.00 55.73 56.44 3k8d s ARG 188 Cb -0.02 -1.99 0.83 0.00 0.52 0.00 0.00 34.95 34.29 3k8d s ARG 188 CO 0.07 -1.03 1.91 0.00 0.02 0.00 0.00 175.30 176.27 3k8d h ALA 189 N 0.10 1.84 -0.30 2.13 0.00 -0.79 -0.56 119.26 121.68 3k8d h ALA 189 Ca -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3k8d h ALA 189 Cb 1.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3k8d h ALA 189 CO 0.56 -0.03 0.06 0.78 0.00 0.00 0.00 179.25 180.62 3k8d h GLY 190 N 0.67 0.48 1.27 0.00 0.00 -1.26 -1.13 103.07 103.09 3k8d h GLY 190 Ca 0.39 -0.24 -0.21 0.00 0.00 0.00 0.00 47.33 47.27 3k8d h GLY 190 CO -0.15 0.23 -0.72 -2.75 0.00 0.00 0.00 176.54 173.14 3k8d h PHE 191 N 0.44 0.97 -0.97 5.60 3.57 -1.37 -1.81 116.94 123.37 3k8d h PHE 191 Ca 0.10 -0.41 0.05 0.00 3.53 0.00 0.00 57.97 61.25 3k8d h PHE 191 Cb 0.20 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3k8d h PHE 191 CO 0.01 1.23 0.63 0.82 -2.23 0.00 0.00 178.31 178.76 3k8d h ILE 192 N 0.51 1.11 -0.64 1.41 2.04 -0.87 0.16 117.51 121.23 3k8d h ILE 192 Ca -0.04 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3k8d h ILE 192 Cb 1.34 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3k8d h ILE 192 CO 0.15 0.21 0.20 0.03 0.00 0.00 0.00 178.15 178.73 3k8d h ARG 193 N 1.16 1.00 -0.53 2.37 3.08 -1.07 -2.70 114.38 117.68 3k8d h ARG 193 Ca 0.40 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3k8d h ARG 193 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3k8d h ARG 193 CO -0.15 0.88 0.27 -0.09 -1.07 0.00 0.00 179.97 179.82 3k8d h ARG 194 N 0.93 0.76 -0.48 0.04 2.43 -0.44 -2.56 114.38 115.06 3k8d h ARG 194 Ca 0.21 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3k8d h ARG 194 Cb 0.30 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 3k8d h ARG 194 CO -0.01 0.60 0.13 -0.92 -1.51 0.00 0.00 179.97 178.26 3k8d h TYR 195 N 0.71 0.21 -0.00 2.20 5.03 -0.41 -1.71 116.97 123.00 3k8d h TYR 195 Ca 0.19 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.52 3k8d h TYR 195 Cb 0.08 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.34 3k8d h TYR 195 CO -0.01 0.03 -0.04 1.33 -1.32 0.00 0.00 178.16 178.16 3k8d n VAL 196 N -5.07 0.00 0.55 1.81 0.24 -1.05 -2.57 118.33 112.24 3k8d n VAL 196 Ca 0.05 -0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.47 3k8d n VAL 196 Cb 0.22 -0.43 0.43 0.00 -1.47 0.00 0.00 33.84 32.58 3k8d n VAL 196 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3k8d n ASN 197 N -1.41 0.81 -4.75 -1.34 3.02 -0.66 -4.77 115.26 106.16 3k8d n ASN 197 Ca 0.09 0.61 -0.40 0.00 -0.03 0.00 0.00 54.58 54.85 3k8d n ASN 197 Cb 0.31 -0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 38.62 3k8d n ASN 197 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3k8d s TRP 198 N -3.17 3.77 0.49 3.10 0.51 -1.06 -5.05 118.94 117.54 3k8d s TRP 198 Ca 0.09 1.51 -0.23 0.00 -2.12 0.00 0.00 56.10 55.35 3k8d s TRP 198 Cb 0.11 -2.82 -0.07 0.00 -0.81 0.00 0.00 33.47 29.88 3k8d s TRP 198 CO 0.54 0.32 1.22 1.04 -0.51 0.00 0.00 176.95 179.56 3k8d n GLN 199 N 2.59 1.63 -1.73 4.98 1.13 -1.26 -4.92 117.38 119.80 3k8d n GLN 199 Ca -0.03 0.59 -0.41 0.00 -1.94 0.00 0.00 57.00 55.21 3k8d n GLN 199 Cb 0.50 -2.38 0.01 0.00 0.11 0.00 0.00 30.24 28.48 3k8d n GLN 199 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3k8d n PRO 200 N -0.46 2.23 -2.95 -1.09 -0.02 -1.26 -4.98 135.00 126.46 3k8d n PRO 200 Ca 0.09 0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 62.03 3k8d n PRO 200 Cb 0.42 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 3k8d n PRO 200 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3k8d s SER 201 N -0.36 6.86 0.31 2.55 1.04 -1.26 -4.97 113.70 117.87 3k8d s SER 201 Ca 0.58 1.51 0.01 0.00 0.48 0.00 0.00 55.95 58.53 3k8d s SER 201 Cb -0.50 -2.47 0.51 0.00 0.10 0.00 0.00 66.02 63.66 3k8d s SER 201 CO 0.61 -0.30 1.87 -0.65 0.98 0.00 0.00 173.24 175.74 3k8d h PRO 202 N 2.03 0.70 -0.57 4.02 0.11 -1.99 -3.21 132.00 133.10 3k8d h PRO 202 Ca -0.48 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.47 3k8d h PRO 202 Cb 1.18 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3k8d h PRO 202 CO 0.63 0.64 0.28 1.25 -0.21 0.00 0.00 178.00 180.60 3k8d h LEU 203 N 0.68 0.73 -1.91 2.35 5.85 -1.94 -2.36 115.31 118.72 3k8d h LEU 203 Ca 0.15 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3k8d h LEU 203 Cb 0.26 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 3k8d h LEU 203 CO -0.00 0.65 -0.02 1.05 -0.34 0.00 0.00 178.44 179.77 3k8d h GLU 204 N 0.77 0.03 0.00 1.25 4.11 -1.79 -2.58 114.58 116.37 3k8d h GLU 204 Ca 0.20 -0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.42 3k8d h GLU 204 Cb 0.10 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3k8d h GLU 204 CO -0.03 0.05 -0.97 0.45 0.07 0.00 0.00 179.01 178.59 3k8d h HIS 205 N 0.03 0.02 0.06 2.06 3.86 -1.53 -0.03 115.15 119.62 3k8d h HIS 205 Ca 0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3k8d h HIS 205 Cb 0.06 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3k8d h HIS 205 CO 0.00 0.97 -0.03 0.82 0.86 0.00 0.00 177.93 180.56 3k8d h ILE 206 N 0.00 1.26 0.00 2.45 2.04 -1.21 -3.24 117.51 118.82 3k8d h ILE 206 Ca -0.01 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.66 3k8d h ILE 206 Cb 1.71 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 3k8d h ILE 206 CO 0.13 0.29 -0.02 -0.33 0.00 0.00 0.00 178.15 178.22 3k8d h GLU 207 N -0.62 0.00 -5.84 2.37 4.39 -1.61 -3.47 114.58 109.80 3k8d h GLU 207 Ca -0.01 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 3k8d h GLU 207 Cb 0.53 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.30 3k8d h GLU 207 CO 0.01 0.00 -0.80 -1.33 -1.16 0.00 0.00 179.01 175.73 3k8d n MET 208 N -2.97 -5.58 -3.79 2.33 2.81 -0.06 -4.89 117.12 104.98 3k8d n MET 208 Ca 0.04 0.75 -0.29 0.00 -1.81 0.00 0.00 57.70 56.39 3k8d n MET 208 Cb 0.52 -5.54 -0.16 0.00 -0.71 0.00 0.00 33.22 27.33 3k8d n MET 208 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3k8d s LEU 209 N -6.45 1.76 0.46 4.03 1.43 -0.99 -5.03 118.68 113.90 3k8d s LEU 209 Ca 0.03 -1.09 0.19 0.00 -1.03 0.00 0.00 54.13 52.23 3k8d s LEU 209 Cb -0.01 -0.80 1.13 0.00 0.03 0.00 0.00 46.19 46.54 3k8d s LEU 209 CO 0.77 -0.31 2.00 1.05 0.23 0.00 0.00 176.35 180.08 3k8d h GLU 210 N 8.14 0.00 0.00 1.70 4.11 -1.95 -2.44 114.58 124.14 3k8d h GLU 210 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 3k8d h GLU 210 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3k8d h GLU 210 CO 0.38 0.19 0.00 -0.56 0.07 0.00 0.00 179.01 179.09 3k8d h GLN 211 N 0.00 0.00 0.00 1.06 -0.00 -1.96 -2.68 115.11 111.53 3k8d h GLN 211 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3k8d h GLN 211 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 3k8d h GLN 211 CO 0.02 0.00 0.00 -0.07 -0.00 0.00 0.00 178.83 178.78 3k8d h LEU 212 N 0.00 0.00 -1.06 0.06 3.38 -1.83 -2.20 115.31 113.66 3k8d h LEU 212 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3k8d h LEU 212 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3k8d h LEU 212 CO 0.00 0.00 0.63 -0.09 0.09 0.00 0.00 178.44 179.07 3k8d h ARG 213 N 0.00 1.14 -0.12 1.13 2.43 -1.68 -0.44 114.38 116.83 3k8d h ARG 213 Ca 0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3k8d h ARG 213 Cb 0.41 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3k8d h ARG 213 CO 0.00 0.75 0.04 0.28 -1.51 0.00 0.00 179.97 179.53 3k8d h VAL 214 N 1.17 1.18 -0.68 0.20 2.07 -1.61 -2.18 116.25 116.41 3k8d h VAL 214 Ca 0.40 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3k8d h VAL 214 Cb 0.08 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3k8d h VAL 214 CO -0.14 0.17 0.18 -0.07 0.02 0.00 0.00 177.57 177.73 3k8d h LEU 215 N 0.01 1.00 -0.78 2.57 4.07 -1.58 -1.82 115.31 118.78 3k8d h LEU 215 Ca 0.04 -0.19 0.07 0.00 0.08 0.00 0.00 57.88 57.87 3k8d h LEU 215 Cb 0.23 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 3k8d h LEU 215 CO -0.00 0.95 0.46 -0.25 -1.08 0.00 0.00 178.44 178.52 3k8d h TRP 216 N 1.01 0.85 -0.27 1.13 2.91 -0.89 -1.08 115.95 119.60 3k8d h TRP 216 Ca 0.22 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.26 3k8d h TRP 216 Cb 0.33 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.71 3k8d h TRP 216 CO 0.02 0.41 0.00 0.66 -1.03 0.00 0.00 178.44 178.50 3k8d n TYR 217 N -4.71 0.60 -1.01 2.65 4.01 -0.84 -4.90 117.16 112.96 3k8d n TYR 217 Ca 0.11 -0.24 -0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3k8d n TYR 217 Cb 0.19 -0.12 -0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3k8d n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8d n GLY 218 N 0.67 0.42 3.78 2.72 0.00 -0.41 -5.04 105.19 107.33 3k8d n GLY 218 Ca 0.11 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 3k8d n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k8d s GLU 219 N -1.98 2.80 0.18 1.61 2.02 -0.70 -5.02 118.70 117.62 3k8d s GLU 219 Ca 0.00 -1.03 -0.10 0.00 0.02 0.00 0.00 54.97 53.86 3k8d s GLU 219 Cb 0.00 -2.53 -0.07 0.00 0.10 0.00 0.00 34.13 31.63 3k8d s GLU 219 CO 0.00 0.43 0.51 0.15 0.02 0.00 0.00 175.26 176.38 3k8d s LYS 220 N -3.47 3.82 -0.14 1.61 1.02 -1.26 -3.95 119.74 117.37 3k8d s LYS 220 Ca 0.31 0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.59 3k8d s LYS 220 Cb -0.09 -2.77 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 3k8d s LYS 220 CO 0.23 0.40 -0.17 0.42 -0.92 0.00 0.00 175.35 175.30 3k8d s ILE 221 N -1.67 1.76 0.06 2.17 1.01 -1.26 -4.20 121.20 119.07 3k8d s ILE 221 Ca 0.43 -0.78 -0.21 0.00 0.00 0.00 0.00 60.65 60.09 3k8d s ILE 221 Cb -0.12 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.68 3k8d s ILE 221 CO 0.21 0.49 0.63 -2.28 0.00 0.00 0.00 174.94 173.99 3k8d s HIS 222 N 1.14 3.77 -0.26 3.97 5.65 -0.76 -0.97 115.29 127.84 3k8d s HIS 222 Ca -0.01 1.32 0.02 0.00 0.25 0.00 0.00 55.06 56.64 3k8d s HIS 222 Cb -0.14 -2.61 0.06 0.00 -1.18 0.00 0.00 32.58 28.71 3k8d s HIS 222 CO -0.06 0.46 -0.09 0.08 -0.65 0.00 0.00 174.74 174.48 3k8d s VAL 223 N -0.68 2.01 0.41 0.89 1.01 -0.18 -0.97 120.40 122.87 3k8d s VAL 223 Ca 0.32 -1.57 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 3k8d s VAL 223 Cb -0.20 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.91 3k8d s VAL 223 CO 0.20 -0.08 0.97 0.00 0.00 0.00 0.00 175.10 176.19 3k8d s ALA 224 N 1.17 3.07 -0.20 5.51 0.00 -0.64 -4.80 121.76 125.86 3k8d s ALA 224 Ca -0.07 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 3k8d s ALA 224 Cb -0.20 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3k8d s ALA 224 CO -0.06 0.05 -0.02 0.08 0.00 0.00 0.00 175.76 175.82 3k8d s VAL 225 N -1.95 3.75 -0.17 0.00 1.01 -1.26 -1.12 120.40 120.66 3k8d s VAL 225 Ca 0.59 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 3k8d s VAL 225 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3k8d s VAL 225 CO 0.18 0.43 0.07 0.00 0.00 0.00 0.00 175.10 175.78 3k8d s ALA 226 N 1.05 3.46 0.24 5.51 0.00 -0.23 -4.96 121.76 126.82 3k8d s ALA 226 Ca 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3k8d s ALA 226 Cb -0.14 -1.90 0.27 0.00 0.00 0.00 0.00 23.12 21.34 3k8d s ALA 226 CO 0.01 0.26 1.59 1.96 0.00 0.00 0.00 175.76 179.58 3k8d h GLN 227 N 6.39 0.36 -3.78 0.00 1.08 -1.99 -3.36 115.11 113.82 3k8d h GLN 227 Ca -0.40 -0.21 -0.45 0.00 -1.45 0.00 0.00 58.65 56.13 3k8d h GLN 227 Cb 1.17 0.02 -0.38 0.00 -0.05 0.00 0.00 27.48 28.24 3k8d h GLN 227 CO 0.68 0.79 -0.77 -1.21 -0.95 0.00 0.00 178.83 177.37 3k8d s GLU 228 N -3.99 0.76 -0.05 1.46 0.41 -1.26 -4.57 118.70 111.46 3k8d s GLU 228 Ca -0.05 0.03 -0.02 0.00 -0.41 0.00 0.00 54.97 54.52 3k8d s GLU 228 Cb 0.12 -1.11 0.04 0.00 -1.78 0.00 0.00 34.13 31.39 3k8d s GLU 228 CO 0.80 -0.31 0.10 0.08 -0.49 0.00 0.00 175.26 175.44 3k8d s VAL 229 N 1.93 -0.14 0.66 2.63 1.01 -1.26 -5.12 120.40 120.11 3k8d s VAL 229 Ca 0.05 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 3k8d s VAL 229 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 3k8d s VAL 229 CO -0.06 0.14 1.05 -2.16 0.00 0.00 0.00 175.10 174.07 3k8d s PRO 230 N 1.87 3.23 1.79 2.72 0.05 -1.26 -4.94 135.00 138.46 3k8d s PRO 230 Ca -0.00 0.78 0.00 0.00 0.05 0.00 0.00 61.00 61.83 3k8d s PRO 230 Cb -0.12 -2.04 0.00 0.00 0.05 0.00 0.00 34.50 32.39 3k8d s PRO 230 CO -0.04 -0.84 0.00 0.41 0.05 0.00 0.00 177.00 176.57 3k8d n GLY 231 N -2.50 -1.45 3.62 0.56 0.00 -1.26 -4.75 105.19 99.41 3k8d n GLY 231 Ca 0.07 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 3k8d n GLY 231 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k8d s THR 232 N 0.00 0.01 0.44 2.61 -1.32 -1.26 -5.12 115.64 111.00 3k8d s THR 232 Ca 0.00 -0.78 -0.22 0.00 -1.21 0.00 0.00 61.69 59.48 3k8d s THR 232 Cb 0.00 -1.68 -0.09 0.00 -1.51 0.00 0.00 72.50 69.22 3k8d s THR 232 CO 0.00 -0.05 1.02 -0.83 -2.21 0.00 0.00 174.62 172.55 3k8d s GLY 233 N -2.88 2.59 -0.60 6.08 0.00 -1.26 -4.73 107.32 106.51 3k8d s GLY 233 Ca 0.10 0.61 -0.12 0.00 0.00 0.00 0.00 44.72 45.30 3k8d s GLY 233 CO -0.00 0.96 0.52 0.14 0.00 0.00 0.00 173.10 174.72 3k8d s VAL 234 N -1.87 4.85 -0.00 1.40 1.01 0.44 -4.79 120.40 121.44 3k8d s VAL 234 Ca 0.62 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.61 3k8d s VAL 234 Cb -0.17 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 3k8d s VAL 234 CO 0.22 -0.88 0.00 0.47 0.00 0.00 0.00 175.10 174.91 3k8d n ASP 235 N 4.63 4.95 -4.31 3.32 8.00 -1.26 -4.80 116.55 127.08 3k8d n ASP 235 Ca -0.03 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 3k8d n ASP 235 Cb 0.42 1.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.42 3k8d n ASP 235 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3k8d s THR 236 N -2.01 1.03 0.33 -3.53 -4.23 -1.26 -3.80 115.64 102.16 3k8d s THR 236 Ca -0.00 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.53 3k8d s THR 236 Cb 0.00 -2.25 0.30 0.00 1.34 0.00 0.00 72.50 71.89 3k8d s THR 236 CO 0.01 -0.40 1.88 -0.65 -0.54 0.00 0.00 174.62 174.92 3k8d h PRO 237 N 2.54 0.81 -0.56 3.99 0.11 -1.98 -1.50 132.00 135.41 3k8d h PRO 237 Ca -0.38 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 3k8d h PRO 237 Cb 1.22 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3k8d h PRO 237 CO 0.64 0.54 -0.03 1.05 -0.21 0.00 0.00 178.00 179.99 3k8d h GLU 238 N 0.83 0.98 -0.88 1.05 9.09 -1.97 -1.40 114.58 122.28 3k8d h GLU 238 Ca 0.43 -0.31 0.00 0.00 0.05 0.00 0.00 59.36 59.54 3k8d h GLU 238 Cb 0.52 -0.09 -0.04 0.00 -1.65 0.00 0.00 28.75 27.49 3k8d h GLU 238 CO -0.20 0.98 0.55 -0.44 0.05 0.00 0.00 179.01 179.95 3k8d h ASP 239 N 0.89 1.04 -0.51 3.06 3.32 -1.76 -2.04 116.42 120.42 3k8d h ASP 239 Ca 0.16 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3k8d h ASP 239 Cb 0.56 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3k8d h ASP 239 CO 0.03 0.78 0.15 0.25 -1.72 0.00 0.00 179.24 178.73 3k8d h LEU 240 N 1.20 0.76 -1.03 1.55 5.85 -0.77 -0.27 115.31 122.60 3k8d h LEU 240 Ca 0.32 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3k8d h LEU 240 Cb -0.08 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 3k8d h LEU 240 CO -0.06 0.78 0.47 -0.33 -0.34 0.00 0.00 178.44 178.95 3k8d h GLU 241 N 0.70 1.15 -0.10 1.25 4.39 -1.09 -0.61 114.58 120.27 3k8d h GLU 241 Ca 0.16 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3k8d h GLU 241 Cb 0.30 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3k8d h GLU 241 CO -0.00 0.83 -0.03 -0.09 -1.16 0.00 0.00 179.01 178.56 3k8d h ARG 242 N 1.16 0.19 -0.32 2.33 2.43 -0.80 -1.47 114.38 117.89 3k8d h ARG 242 Ca 0.30 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 3k8d h ARG 242 Cb 0.00 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3k8d h ARG 242 CO -0.05 0.51 -0.12 0.28 -1.51 0.00 0.00 179.97 179.08 3k8d h VAL 243 N -0.14 1.24 -0.87 0.20 2.07 -0.97 -1.26 116.25 116.53 3k8d h VAL 243 Ca 0.02 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3k8d h VAL 243 Cb 0.44 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3k8d h VAL 243 CO 0.01 0.35 0.49 0.03 0.02 0.00 0.00 177.57 178.47 3k8d h ARG 244 N 0.51 1.20 -0.22 1.57 3.08 -1.00 0.85 114.38 120.38 3k8d h ARG 244 Ca 0.09 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 3k8d h ARG 244 Cb 0.51 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3k8d h ARG 244 CO 0.03 0.87 -0.28 0.00 -1.07 0.00 0.00 179.97 179.51 3k8d h ALA 245 N 1.26 1.11 0.00 0.04 0.00 -0.73 -3.35 119.26 117.59 3k8d h ALA 245 Ca 0.31 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3k8d h ALA 245 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3k8d h ALA 245 CO -0.05 0.56 -2.15 0.39 0.00 0.00 0.00 179.25 178.00 3k8d n GLU 246 N -4.11 0.71 0.00 0.00 1.02 -0.52 -5.11 120.64 112.63 3k8d n GLU 246 Ca -0.01 -0.11 0.07 0.00 -0.02 0.00 0.00 57.16 57.10 3k8d n GLU 246 Cb 0.42 -1.50 0.43 0.00 -0.02 0.00 0.00 31.44 30.76 3k8d n GLU 246 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19