#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8e s PHE 3 N 0.00 0.48 -0.04 1.43 -0.12 -1.26 -4.12 117.98 114.35 3k8e s PHE 3 Ca 0.00 -0.98 0.06 0.00 -0.05 0.00 0.00 56.93 55.97 3k8e s PHE 3 Cb 0.00 -0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.02 3k8e s PHE 3 CO 0.00 -0.35 -0.23 0.08 -0.05 0.00 0.00 175.22 174.67 3k8e s VAL 4 N -3.50 1.89 -0.16 -2.49 1.01 -0.18 -0.29 120.40 116.68 3k8e s VAL 4 Ca 0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 3k8e s VAL 4 Cb 0.05 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3k8e s VAL 4 CO -0.08 0.53 -0.00 -0.69 0.00 0.00 0.00 175.10 174.86 3k8e s VAL 5 N -0.32 4.21 -0.12 2.92 1.01 0.85 -0.97 120.40 127.99 3k8e s VAL 5 Ca 0.02 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3k8e s VAL 5 Cb -0.11 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.42 3k8e s VAL 5 CO 0.01 0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 174.76 3k8e s ILE 6 N 0.27 1.94 -0.35 2.22 1.01 -0.59 -0.72 121.20 124.98 3k8e s ILE 6 Ca -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3k8e s ILE 6 Cb -0.13 -1.71 0.08 0.00 0.01 0.00 0.00 42.46 40.71 3k8e s ILE 6 CO 0.02 0.53 0.10 -0.63 0.00 0.00 0.00 174.94 174.96 3k8e s ILE 7 N 0.68 3.03 -0.90 2.92 1.01 0.10 -2.64 121.20 125.39 3k8e s ILE 7 Ca -0.11 -1.82 -0.23 0.00 0.00 0.00 0.00 60.65 58.49 3k8e s ILE 7 Cb -0.16 -2.96 0.06 0.00 0.01 0.00 0.00 42.46 39.41 3k8e s ILE 7 CO 0.02 -0.44 1.31 -2.16 0.00 0.00 0.00 174.94 173.67 3k8e s PRO 8 N 1.15 3.44 -0.29 2.79 0.04 -1.26 -1.32 135.00 139.57 3k8e s PRO 8 Ca 0.03 -0.98 -0.28 0.00 0.04 0.00 0.00 61.00 59.81 3k8e s PRO 8 Cb -0.21 -4.88 -0.03 0.00 0.04 0.00 0.00 34.50 29.42 3k8e s PRO 8 CO -0.03 -2.08 1.93 0.00 0.04 0.00 0.00 177.00 176.85 3k8e s ALA 9 N 4.70 2.85 -0.29 8.56 0.00 -1.10 -4.38 121.76 132.10 3k8e s ALA 9 Ca 0.39 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 3k8e s ALA 9 Cb -0.04 -4.03 0.01 0.00 0.00 0.00 0.00 23.12 19.06 3k8e s ALA 9 CO -0.02 -2.65 1.20 -0.98 0.00 0.00 0.00 175.76 173.32 3k8e s ARG 10 N 5.83 4.02 -0.01 0.00 1.70 -1.26 -4.79 118.95 124.44 3k8e s ARG 10 Ca 0.86 1.23 -0.00 0.00 -0.47 0.00 0.00 55.73 57.35 3k8e s ARG 10 Cb -0.26 -3.81 -0.00 0.00 -0.57 0.00 0.00 34.95 30.31 3k8e s ARG 10 CO 0.34 -0.98 0.09 -0.92 -1.08 0.00 0.00 175.30 172.76 3k8e h TYR 11 N 8.66 -0.01 -3.07 5.89 5.03 -1.97 -3.38 116.97 128.11 3k8e h TYR 11 Ca -0.24 -0.00 -0.56 0.00 2.58 0.00 0.00 58.73 60.51 3k8e h TYR 11 Cb 1.08 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.31 3k8e h TYR 11 CO 0.85 -0.01 1.10 0.00 -1.32 0.00 0.00 178.16 178.78 3k8e s ALA 12 N -2.98 2.93 -0.03 1.82 0.00 -1.26 -2.85 121.76 119.39 3k8e s ALA 12 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.67 3k8e s ALA 12 Cb 0.00 -4.01 -0.00 0.00 0.00 0.00 0.00 23.12 19.11 3k8e s ALA 12 CO 0.01 -2.63 -0.15 0.45 0.00 0.00 0.00 175.76 173.43 3k8e s SER 13 N 4.31 1.91 0.27 0.00 0.15 -1.26 -5.00 113.70 114.08 3k8e s SER 13 Ca 0.59 -0.31 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 3k8e s SER 13 Cb -0.13 -0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 63.64 3k8e s SER 13 CO 0.30 0.15 1.24 -0.89 1.20 0.00 0.00 173.24 175.24 3k8e s THR 14 N -0.04 3.14 0.00 6.45 2.01 -1.26 -1.77 115.64 124.17 3k8e s THR 14 Ca -0.01 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.05 3k8e s THR 14 Cb -0.10 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.74 3k8e s THR 14 CO 0.01 0.22 0.00 -2.11 -0.69 0.00 0.00 174.62 172.05 3k8e n ARG 15 N 1.58 0.00 0.00 4.92 1.85 -1.26 -4.70 116.66 119.05 3k8e n ARG 15 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 3k8e n ARG 15 Cb 0.43 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 3k8e n ARG 15 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3k8e n LEU 16 N 0.00 0.00 -0.20 2.89 4.77 -1.24 -3.99 117.00 119.22 3k8e n LEU 16 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3k8e n LEU 16 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3k8e n LEU 16 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.41 3k8e n PRO 17 N 0.00 0.00 -3.12 3.23 -0.01 -0.73 -4.87 135.00 129.51 3k8e n PRO 17 Ca 0.00 0.12 -0.14 0.00 -0.01 0.00 0.00 63.50 63.47 3k8e n PRO 17 Cb 0.00 -0.08 0.05 0.00 -0.01 0.00 0.00 33.50 33.46 3k8e n PRO 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3k8e n GLY 18 N 2.27 -0.02 0.47 -1.23 0.00 -1.23 -4.93 105.19 100.51 3k8e n GLY 18 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3k8e n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k8e h LYS 19 N -1.58 -0.71 -0.20 1.61 1.63 -1.75 -2.06 116.57 113.51 3k8e h LYS 19 Ca -0.37 0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.54 3k8e h LYS 19 Cb 1.23 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 33.01 3k8e h LYS 19 CO 0.35 -0.47 0.28 -1.00 -3.45 0.00 0.00 179.45 175.15 3k8e h PRO 20 N -0.74 0.00 -0.42 1.90 0.13 -1.83 -1.26 132.00 129.79 3k8e h PRO 20 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3k8e h PRO 20 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3k8e h PRO 20 CO -0.28 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.77 3k8e n LEU 21 N -3.57 3.00 -4.68 1.56 4.32 -0.78 -1.29 117.00 115.56 3k8e n LEU 21 Ca 0.02 -1.36 -0.42 0.00 -0.02 0.00 0.00 56.01 54.23 3k8e n LEU 21 Cb 0.40 -0.27 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 3k8e n LEU 21 CO 0.24 0.68 1.24 -0.69 -1.22 0.00 0.00 177.39 177.64 3k8e s VAL 22 N -1.45 3.59 0.20 4.08 1.01 -0.48 -4.70 120.40 122.65 3k8e s VAL 22 Ca 0.38 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 62.93 3k8e s VAL 22 Cb 0.21 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.91 3k8e s VAL 22 CO 0.29 -0.03 1.63 -0.62 0.00 0.00 0.00 175.10 176.37 3k8e s ASP 23 N 2.45 6.48 -0.51 3.32 2.15 -1.26 -1.63 116.67 127.67 3k8e s ASP 23 Ca 0.68 2.76 0.03 0.00 0.43 0.00 0.00 52.55 56.45 3k8e s ASP 23 Cb -0.33 -2.60 0.15 0.00 -0.30 0.00 0.00 42.92 39.84 3k8e s ASP 23 CO 0.27 -0.89 0.32 -0.63 -0.17 0.00 0.00 175.17 174.08 3k8e s ILE 24 N 0.97 1.65 -0.80 4.11 1.01 0.17 -4.90 121.20 123.41 3k8e s ILE 24 Ca 0.71 -3.05 -0.01 0.00 0.00 0.00 0.00 60.65 58.30 3k8e s ILE 24 Cb -0.47 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 3k8e s ILE 24 CO 0.34 -0.98 0.67 0.59 0.00 0.00 0.00 174.94 175.56 3k8e n ASN 25 N 2.99 -2.64 0.00 3.58 3.02 -1.26 -3.64 115.26 117.31 3k8e n ASN 25 Ca 0.15 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3k8e n ASN 25 Cb 0.37 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 3k8e n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k8e n GLY 26 N -1.13 0.76 2.96 7.41 0.00 -1.26 -5.03 105.19 108.90 3k8e n GLY 26 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3k8e n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k8e s LYS 27 N -0.47 0.20 0.47 1.61 1.02 -1.24 -5.14 119.74 116.20 3k8e s LYS 27 Ca 0.00 -0.29 -0.20 0.00 0.02 0.00 0.00 55.97 55.50 3k8e s LYS 27 Cb 0.00 0.08 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 3k8e s LYS 27 CO 0.00 -0.04 1.01 -1.25 -0.92 0.00 0.00 175.35 174.15 3k8e s PRO 28 N -0.78 3.94 0.29 -1.68 0.04 -1.26 0.46 135.00 136.01 3k8e s PRO 28 Ca -0.09 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.23 3k8e s PRO 28 Cb -0.05 -2.12 0.68 0.00 0.04 0.00 0.00 34.50 33.04 3k8e s PRO 28 CO -0.00 -0.30 1.63 1.98 0.04 0.00 0.00 177.00 180.35 3k8e h MET 29 N 1.66 0.15 -0.87 4.56 1.85 -1.09 0.24 114.93 121.43 3k8e h MET 29 Ca -0.49 -0.01 0.05 0.00 -0.61 0.00 0.00 59.70 58.64 3k8e h MET 29 Cb 1.21 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 33.14 3k8e h MET 29 CO 0.60 0.10 0.55 0.97 -0.40 0.00 0.00 176.91 178.72 3k8e h ILE 30 N 0.16 1.08 -0.69 1.77 6.09 -1.43 -1.53 117.51 122.95 3k8e h ILE 30 Ca 0.54 -0.35 -0.06 0.00 -1.37 0.00 0.00 64.86 63.63 3k8e h ILE 30 Cb 1.08 -0.03 -0.03 0.00 0.47 0.00 0.00 36.82 38.32 3k8e h ILE 30 CO -0.70 0.19 0.22 0.58 -3.07 0.00 0.00 178.15 175.36 3k8e h VAL 31 N 1.02 1.26 -0.56 2.19 2.07 -1.22 -0.92 116.25 120.09 3k8e h VAL 31 Ca 0.37 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 67.06 3k8e h VAL 31 Cb 0.11 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3k8e h VAL 31 CO -0.15 0.34 0.27 0.45 0.02 0.00 0.00 177.57 178.50 3k8e h HIS 32 N 1.01 0.50 -0.48 1.57 3.86 -1.05 -0.30 115.15 120.26 3k8e h HIS 32 Ca 0.22 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 3k8e h HIS 32 Cb 0.30 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3k8e h HIS 32 CO 0.02 0.23 -0.00 0.28 0.86 0.00 0.00 177.93 179.32 3k8e h VAL 33 N 0.52 1.24 -0.98 2.45 2.07 -0.68 -1.54 116.25 119.33 3k8e h VAL 33 Ca 0.25 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3k8e h VAL 33 Cb 0.18 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3k8e h VAL 33 CO -0.19 0.36 0.65 0.25 0.02 0.00 0.00 177.57 178.66 3k8e h LEU 34 N 0.75 1.10 0.10 2.57 5.85 -0.59 -1.41 115.31 123.68 3k8e h LEU 34 Ca 0.14 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3k8e h LEU 34 Cb 0.46 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3k8e h LEU 34 CO 0.02 0.78 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.52 3k8e h GLU 35 N 1.29 -0.13 -0.76 1.25 5.08 -0.07 -1.59 114.58 119.64 3k8e h GLU 35 Ca 0.37 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.87 3k8e h GLU 35 Cb -0.08 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.11 3k8e h GLU 35 CO -0.10 -0.05 0.34 0.00 -1.00 0.00 0.00 179.01 178.20 3k8e h ARG 36 N -0.17 0.50 -0.40 2.33 2.47 -1.22 -2.29 114.38 115.59 3k8e h ARG 36 Ca -0.01 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.58 3k8e h ARG 36 Cb 0.14 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3k8e h ARG 36 CO 0.02 0.33 -0.13 0.00 0.56 0.00 0.00 179.97 180.76 3k8e h ALA 37 N 1.52 1.02 -0.58 0.04 0.00 -0.95 -2.94 119.26 117.37 3k8e h ALA 37 Ca 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k8e h ALA 37 Cb 0.58 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3k8e h ALA 37 CO -0.36 0.59 0.35 0.00 0.00 0.00 0.00 179.25 179.83 3k8e h ARG 38 N 0.66 0.79 -0.05 0.00 3.08 -0.74 -2.73 114.38 115.39 3k8e h ARG 38 Ca 0.11 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3k8e h ARG 38 Cb 0.59 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3k8e h ARG 38 CO 0.04 0.57 0.07 0.93 -1.07 0.00 0.00 179.97 180.51 3k8e h GLU 39 N 0.79 0.00 0.00 0.04 5.08 -1.29 -2.27 114.58 116.93 3k8e h GLU 39 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3k8e h GLU 39 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3k8e h GLU 39 CO -0.04 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.84 3k8e n SER 40 N -3.64 0.00 0.00 1.42 3.41 -1.03 -4.87 113.62 108.91 3k8e n SER 40 Ca -0.02 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3k8e n SER 40 Cb 0.16 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 3k8e n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8e n GLY 41 N 0.65 0.55 3.73 5.00 0.00 -0.85 -4.74 105.19 109.53 3k8e n GLY 41 Ca 0.07 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3k8e n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8e n ALA 42 N 0.49 1.89 0.94 4.61 0.00 -1.26 -4.78 120.51 122.39 3k8e n ALA 42 Ca 0.00 0.36 0.13 0.00 0.00 0.00 0.00 53.44 53.93 3k8e n ALA 42 Cb 0.00 -2.35 0.48 0.00 0.00 0.00 0.00 19.45 17.58 3k8e n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3k8e n GLU 43 N 0.84 0.04 -3.69 0.00 0.28 0.60 -4.78 120.64 113.93 3k8e n GLU 43 Ca 0.04 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.93 3k8e n GLU 43 Cb 0.37 -1.54 -0.09 0.00 1.43 0.00 0.00 31.44 31.61 3k8e n GLU 43 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3k8e s ARG 44 N -3.02 0.64 -0.26 3.44 0.52 -1.26 -5.04 118.95 113.98 3k8e s ARG 44 Ca 0.13 0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 56.05 3k8e s ARG 44 Cb 0.18 0.31 0.08 0.00 0.52 0.00 0.00 34.95 36.04 3k8e s ARG 44 CO 0.59 -0.08 0.05 0.42 0.02 0.00 0.00 175.30 176.29 3k8e s ILE 45 N 0.23 0.98 -0.19 1.52 1.09 -1.26 -0.10 121.20 123.46 3k8e s ILE 45 Ca -0.00 -1.17 -0.04 0.00 -1.10 0.00 0.00 60.65 58.34 3k8e s ILE 45 Cb -0.04 -1.56 -0.02 0.00 -1.06 0.00 0.00 42.46 39.78 3k8e s ILE 45 CO 0.01 -0.42 -0.03 -0.63 -0.10 0.00 0.00 174.94 173.77 3k8e s ILE 46 N 1.61 3.68 -0.18 2.92 1.01 0.11 -3.82 121.20 126.52 3k8e s ILE 46 Ca 0.04 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 3k8e s ILE 46 Cb -0.18 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 3k8e s ILE 46 CO -0.16 0.44 0.60 -0.69 0.00 0.00 0.00 174.94 175.14 3k8e s VAL 47 N 0.99 5.05 -0.22 2.92 1.01 -0.81 -0.72 120.40 128.62 3k8e s VAL 47 Ca 0.01 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 63.03 3k8e s VAL 47 Cb -0.15 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3k8e s VAL 47 CO 0.01 0.15 0.13 0.00 0.00 0.00 0.00 175.10 175.39 3k8e s ALA 48 N 1.69 3.57 0.08 5.51 0.00 -0.43 -1.73 121.76 130.45 3k8e s ALA 48 Ca 0.28 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 3k8e s ALA 48 Cb -0.16 -2.19 0.05 0.00 0.00 0.00 0.00 23.12 20.83 3k8e s ALA 48 CO 0.11 -0.04 0.53 -0.08 0.00 0.00 0.00 175.76 176.28 3k8e s THR 49 N 0.76 0.03 -0.37 0.00 -1.32 -1.13 -2.71 115.64 110.89 3k8e s THR 49 Ca 0.07 -0.23 0.14 0.00 -1.21 0.00 0.00 61.69 60.46 3k8e s THR 49 Cb -0.13 -1.02 0.39 0.00 -1.51 0.00 0.00 72.50 70.24 3k8e s THR 49 CO 0.02 -0.13 1.30 -0.90 -2.21 0.00 0.00 174.62 172.71 3k8e n ASP 50 N 0.12 3.26 -4.15 8.08 5.75 -1.26 -1.04 116.55 127.32 3k8e n ASP 50 Ca -0.18 -2.65 -0.30 0.00 -0.01 0.00 0.00 54.79 51.65 3k8e n ASP 50 Cb 0.62 -0.40 -0.17 0.00 -1.03 0.00 0.00 41.12 40.14 3k8e n ASP 50 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3k8e s HIS 51 N -2.16 2.19 0.18 2.11 3.76 -1.26 -4.93 115.29 115.18 3k8e s HIS 51 Ca 0.32 -0.90 -0.07 0.00 -0.15 0.00 0.00 55.06 54.25 3k8e s HIS 51 Cb 0.24 -1.50 0.09 0.00 1.11 0.00 0.00 32.58 32.52 3k8e s HIS 51 CO 0.09 -0.39 1.57 0.93 -0.85 0.00 0.00 174.74 176.09 3k8e h GLU 52 N 6.88 0.86 -0.89 1.40 4.39 -1.99 -1.55 114.58 123.68 3k8e h GLU 52 Ca -0.24 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.08 3k8e h GLU 52 Cb 1.22 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.80 3k8e h GLU 52 CO 0.48 1.03 0.58 0.38 -1.16 0.00 0.00 179.01 180.31 3k8e h ASP 53 N 0.73 1.03 -0.15 1.42 3.04 -1.99 -0.43 116.42 120.06 3k8e h ASP 53 Ca 0.09 -0.03 -0.01 0.00 -3.24 0.00 0.00 57.03 53.83 3k8e h ASP 53 Cb 0.82 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.85 3k8e h ASP 53 CO 0.07 0.76 0.04 0.58 -2.04 0.00 0.00 179.24 178.65 3k8e h VAL 54 N 1.21 1.19 -0.37 4.15 2.07 -1.94 -2.52 116.25 120.04 3k8e h VAL 54 Ca 0.33 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.32 3k8e h VAL 54 Cb -0.12 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3k8e h VAL 54 CO -0.07 0.18 -0.34 0.00 0.02 0.00 0.00 177.57 177.37 3k8e h ALA 55 N 0.85 -0.23 -0.45 1.67 0.00 -0.77 -1.01 119.26 119.32 3k8e h ALA 55 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3k8e h ALA 55 Cb 0.24 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3k8e h ALA 55 CO -0.00 -0.75 0.08 0.00 0.00 0.00 0.00 179.25 178.58 3k8e h ARG 56 N -0.28 0.68 -0.43 0.00 3.08 -1.08 0.60 114.38 116.96 3k8e h ARG 56 Ca 0.16 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 3k8e h ARG 56 Cb 0.54 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3k8e h ARG 56 CO -0.52 0.64 -0.31 0.00 -1.07 0.00 0.00 179.97 178.72 3k8e h ALA 57 N 1.43 0.61 -0.30 0.04 0.00 -0.99 -0.62 119.26 119.44 3k8e h ALA 57 Ca 0.15 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3k8e h ALA 57 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3k8e h ALA 57 CO 0.00 0.66 -0.28 0.28 0.00 0.00 0.00 179.25 179.91 3k8e h VAL 58 N 0.80 1.30 -0.17 0.00 2.07 -0.86 -3.19 116.25 116.19 3k8e h VAL 58 Ca 0.08 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 3k8e h VAL 58 Cb 0.89 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3k8e h VAL 58 CO 0.08 0.47 -0.23 -0.33 0.02 0.00 0.00 177.57 177.58 3k8e h GLU 59 N 0.48 0.30 -0.01 1.57 5.08 -0.80 -0.63 114.58 120.57 3k8e h GLU 59 Ca 0.05 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3k8e h GLU 59 Cb 0.85 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3k8e h GLU 59 CO 0.07 0.52 -0.27 0.00 -1.00 0.00 0.00 179.01 178.34 3k8e h ALA 60 N 1.49 1.54 -0.22 3.43 0.00 -1.10 -0.94 119.26 123.46 3k8e h ALA 60 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k8e h ALA 60 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3k8e h ALA 60 CO 0.04 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3k8e n ALA 61 N -2.49 2.49 -0.78 0.00 0.00 -1.05 -4.92 120.51 113.77 3k8e n ALA 61 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3k8e n ALA 61 Cb 0.32 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3k8e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8e n GLY 62 N 1.05 0.52 3.88 0.00 0.00 -0.36 -5.04 105.19 105.24 3k8e n GLY 62 Ca 0.14 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3k8e n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8e s GLY 63 N -2.74 2.29 0.21 -0.02 0.00 -0.27 -4.99 107.32 101.81 3k8e s GLY 63 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 3k8e s GLY 63 CO 0.00 -0.30 0.90 1.85 0.00 0.00 0.00 173.10 175.55 3k8e s GLU 64 N -2.01 4.78 0.00 2.90 2.12 -1.25 -3.87 118.70 121.37 3k8e s GLU 64 Ca 0.33 1.40 0.06 0.00 0.36 0.00 0.00 54.97 57.13 3k8e s GLU 64 Cb -0.13 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 3k8e s GLU 64 CO 0.19 0.51 -0.20 0.08 -0.54 0.00 0.00 175.26 175.30 3k8e s VAL 65 N -1.09 1.59 -0.21 3.70 1.01 -1.26 -1.93 120.40 122.21 3k8e s VAL 65 Ca 0.40 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3k8e s VAL 65 Cb -0.25 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 34.84 3k8e s VAL 65 CO 0.30 0.38 -0.08 0.00 0.00 0.00 0.00 175.10 175.70 3k8e s MET 67 N 1.42 4.45 0.26 0.00 -1.94 -1.26 -2.84 119.30 119.39 3k8e s MET 67 Ca -0.03 2.05 0.05 0.00 -1.71 0.00 0.00 55.69 56.06 3k8e s MET 67 Cb -0.17 -3.13 -0.06 0.00 2.01 0.00 0.00 34.83 33.48 3k8e s MET 67 CO -0.07 -0.08 -0.03 0.95 -0.01 0.00 0.00 175.02 175.78 3k8e s THR 68 N -0.88 1.36 0.48 2.05 -4.23 -0.21 -4.88 115.64 109.33 3k8e s THR 68 Ca 0.49 -2.08 -0.24 0.00 -1.18 0.00 0.00 61.69 58.68 3k8e s THR 68 Cb -0.37 -2.40 -0.08 0.00 1.34 0.00 0.00 72.50 70.99 3k8e s THR 68 CO 0.46 -0.31 1.32 0.54 -0.54 0.00 0.00 174.62 176.09 3k8e n ARG 69 N -0.51 1.88 0.13 3.99 1.74 -1.26 -4.24 116.66 118.39 3k8e n ARG 69 Ca -0.05 0.68 -0.01 0.00 -0.77 0.00 0.00 57.85 57.70 3k8e n ARG 69 Cb 0.64 -2.49 0.14 0.00 -1.02 0.00 0.00 32.46 29.72 3k8e n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k8e h ALA 70 N 1.84 0.84 -2.10 7.54 0.00 -1.97 -3.44 119.26 121.97 3k8e h ALA 70 Ca -0.50 -0.58 -0.61 0.00 0.00 0.00 0.00 54.91 53.23 3k8e h ALA 70 Cb 1.30 -0.10 0.08 0.00 0.00 0.00 0.00 17.79 19.06 3k8e h ALA 70 CO 0.59 0.79 0.51 -0.40 0.00 0.00 0.00 179.25 180.74 3k8e n ASP 71 N -3.61 2.26 -4.76 0.00 3.85 -1.26 -4.88 116.55 108.15 3k8e n ASP 71 Ca -0.00 1.14 -0.41 0.00 -0.71 0.00 0.00 54.79 54.80 3k8e n ASP 71 Cb 0.67 -1.35 -0.01 0.00 -1.35 0.00 0.00 41.12 39.08 3k8e n ASP 71 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 3k8e s HIS 72 N -0.00 2.71 -0.00 2.11 5.04 -1.26 -5.02 115.29 118.87 3k8e s HIS 72 Ca 0.71 0.86 0.02 0.00 -1.54 0.00 0.00 55.06 55.11 3k8e s HIS 72 Cb -0.73 -4.06 -0.00 0.00 0.04 0.00 0.00 32.58 27.82 3k8e s HIS 72 CO 0.49 -3.48 -0.05 -0.65 -2.34 0.00 0.00 174.74 168.71 3k8e s GLN 73 N -0.84 0.42 1.13 2.88 -0.21 -1.26 -5.11 119.66 116.67 3k8e s GLN 73 Ca 0.61 -0.20 -0.12 0.00 0.02 0.00 0.00 55.36 55.67 3k8e s GLN 73 Cb -0.48 -0.40 0.26 0.00 1.00 0.00 0.00 33.01 33.40 3k8e s GLN 73 CO 0.51 0.11 1.03 -1.13 -2.12 0.00 0.00 175.29 173.69 3k8e n SER 74 N 2.91 -1.33 -0.15 5.90 3.41 -1.26 -4.80 113.62 118.30 3k8e n SER 74 Ca -0.13 -0.05 -0.08 0.00 -0.26 0.00 0.00 58.87 58.36 3k8e n SER 74 Cb 0.58 -1.30 0.01 0.00 -0.26 0.00 0.00 64.21 63.24 3k8e n SER 74 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3k8e h GLY 75 N -2.54 0.67 0.96 5.00 0.00 -1.99 -1.69 103.07 103.49 3k8e h GLY 75 Ca -0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 3k8e h GLY 75 CO 0.47 0.27 0.21 -0.84 0.00 0.00 0.00 176.54 176.66 3k8e h THR 76 N 0.61 1.18 -0.09 4.70 2.02 -1.99 -1.24 112.91 118.10 3k8e h THR 76 Ca 0.17 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3k8e h THR 76 Cb 0.00 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3k8e h THR 76 CO -0.03 0.19 0.01 -0.33 0.37 0.00 0.00 175.52 175.73 3k8e h GLU 77 N 0.56 0.12 0.08 6.66 5.08 -1.86 -0.09 114.58 125.13 3k8e h GLU 77 Ca 0.15 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.25 3k8e h GLU 77 Cb 0.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3k8e h GLU 77 CO -0.02 0.12 -1.12 -0.09 -1.00 0.00 0.00 179.01 176.90 3k8e h ARG 78 N 0.12 0.28 -0.64 2.33 2.43 -0.77 -2.18 114.38 115.94 3k8e h ARG 78 Ca 0.03 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 3k8e h ARG 78 Cb 0.07 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3k8e h ARG 78 CO -0.00 1.15 0.37 -0.07 -1.51 0.00 0.00 179.97 179.91 3k8e h LEU 79 N 0.11 0.79 -1.12 3.80 4.07 -0.38 -2.55 115.31 120.03 3k8e h LEU 79 Ca -0.10 -0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.73 3k8e h LEU 79 Cb 1.82 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 43.33 3k8e h LEU 79 CO 0.18 0.64 0.11 0.00 -1.08 0.00 0.00 178.44 178.29 3k8e h ALA 80 N 1.18 1.29 -0.62 1.53 0.00 -0.85 0.07 119.26 121.87 3k8e h ALA 80 Ca 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3k8e h ALA 80 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3k8e h ALA 80 CO -0.04 0.50 0.41 1.49 0.00 0.00 0.00 179.25 181.60 3k8e h GLU 81 N 0.70 0.80 -0.50 0.00 4.81 -1.27 -1.31 114.58 117.81 3k8e h GLU 81 Ca 0.16 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3k8e h GLU 81 Cb 0.28 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3k8e h GLU 81 CO -0.00 0.53 0.24 0.28 -0.73 0.00 0.00 179.01 179.33 3k8e h VAL 82 N 0.82 1.19 -0.03 0.32 2.07 -0.72 0.13 116.25 120.03 3k8e h VAL 82 Ca 0.23 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3k8e h VAL 82 Cb -0.08 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3k8e h VAL 82 CO -0.06 0.21 -0.18 0.58 0.02 0.00 0.00 177.57 178.15 3k8e h VAL 83 N 0.67 0.57 -0.29 2.57 2.07 -0.90 0.48 116.25 121.41 3k8e h VAL 83 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 3k8e h VAL 83 Cb 0.11 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 3k8e h VAL 83 CO -0.02 0.00 -0.21 -0.33 0.02 0.00 0.00 177.57 177.02 3k8e h GLU 84 N -0.27 -0.19 -0.11 1.57 4.39 -0.89 -1.43 114.58 117.66 3k8e h GLU 84 Ca 0.07 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 3k8e h GLU 84 Cb 0.36 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3k8e h GLU 84 CO -0.19 -0.12 -0.62 0.87 -1.16 0.00 0.00 179.01 177.78 3k8e h LYS 85 N -0.19 0.38 -0.00 2.33 1.57 -0.01 -2.89 116.57 117.76 3k8e h LYS 85 Ca 0.15 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3k8e h LYS 85 Cb 0.43 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3k8e h LYS 85 CO -0.40 0.88 -0.26 0.00 -0.57 0.00 0.00 179.45 179.10 3k8e n ALA 87 N -1.45 -1.60 -1.77 0.00 0.00 -0.54 -4.97 120.51 110.18 3k8e n ALA 87 Ca 0.07 0.21 -0.39 0.00 0.00 0.00 0.00 53.44 53.33 3k8e n ALA 87 Cb 0.33 -4.26 -0.02 0.00 0.00 0.00 0.00 19.45 15.50 3k8e n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k8e s PHE 88 N -3.34 3.14 0.71 0.00 0.08 -1.20 -5.02 117.98 112.34 3k8e s PHE 88 Ca 0.35 1.54 -0.13 0.00 0.12 0.00 0.00 56.93 58.81 3k8e s PHE 88 Cb -0.16 -3.47 0.03 0.00 -0.57 0.00 0.00 43.02 38.85 3k8e s PHE 88 CO 0.73 -1.37 1.11 -1.54 -0.10 0.00 0.00 175.22 174.05 3k8e s SER 89 N -0.90 4.79 0.38 1.36 1.04 -1.26 -4.93 113.70 114.18 3k8e s SER 89 Ca 0.53 1.96 0.08 0.00 0.48 0.00 0.00 55.95 59.00 3k8e s SER 89 Cb -0.34 -2.54 0.83 0.00 0.10 0.00 0.00 66.02 64.07 3k8e s SER 89 CO 0.43 -1.84 1.96 0.44 0.98 0.00 0.00 173.24 175.21 3k8e h ASP 90 N -0.45 0.58 -0.06 7.02 3.32 -1.95 -1.68 116.42 123.21 3k8e h ASP 90 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3k8e h ASP 90 Cb 1.24 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3k8e h ASP 90 CO 0.53 0.36 0.00 -0.90 -1.72 0.00 0.00 179.24 177.51 3k8e n ASP 91 N -4.48 0.41 -4.74 6.45 5.68 -1.26 -0.59 116.55 118.01 3k8e n ASP 91 Ca 0.11 -1.70 -0.41 0.00 -0.50 0.00 0.00 54.79 52.28 3k8e n ASP 91 Cb 0.28 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.20 3k8e n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3k8e s THR 92 N -1.93 3.16 -0.25 2.12 2.01 -0.63 -4.82 115.64 115.31 3k8e s THR 92 Ca 0.19 0.96 -0.20 0.00 0.31 0.00 0.00 61.69 62.95 3k8e s THR 92 Cb 0.09 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 3k8e s THR 92 CO 0.15 0.14 0.59 -0.69 -0.69 0.00 0.00 174.62 174.12 3k8e s VAL 93 N 0.12 5.02 -0.13 3.82 1.01 -1.26 -0.81 120.40 128.17 3k8e s VAL 93 Ca 0.57 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 3k8e s VAL 93 Cb -0.37 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3k8e s VAL 93 CO 0.39 0.07 -0.10 -0.63 0.00 0.00 0.00 175.10 174.82 3k8e s ILE 94 N 2.31 3.33 -0.20 2.22 -1.09 0.80 -1.01 121.20 127.55 3k8e s ILE 94 Ca 0.25 -0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 58.05 3k8e s ILE 94 Cb -0.16 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 3k8e s ILE 94 CO 0.09 0.53 0.00 -0.69 -1.23 0.00 0.00 174.94 173.64 3k8e s VAL 95 N 0.18 4.00 -0.48 2.92 1.01 -0.14 -1.15 120.40 126.73 3k8e s VAL 95 Ca -0.06 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 3k8e s VAL 95 Cb -0.15 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3k8e s VAL 95 CO 0.04 0.43 0.86 0.21 0.00 0.00 0.00 175.10 176.64 3k8e s ASN 96 N 0.98 6.41 -0.15 3.32 3.84 0.94 -1.54 114.94 128.74 3k8e s ASN 96 Ca 0.02 -0.13 -0.03 0.00 0.21 0.00 0.00 52.86 52.93 3k8e s ASN 96 Cb -0.14 -2.42 -0.02 0.00 -0.55 0.00 0.00 41.25 38.12 3k8e s ASN 96 CO 0.02 -1.03 -0.06 -0.69 -2.79 0.00 0.00 177.10 172.55 3k8e s VAL 97 N 3.58 3.71 0.73 -5.21 1.01 -1.08 -2.35 120.40 120.78 3k8e s VAL 97 Ca 0.32 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3k8e s VAL 97 Cb -0.12 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.68 3k8e s VAL 97 CO 0.23 0.50 1.10 -1.10 0.00 0.00 0.00 175.10 175.82 3k8e s GLN 98 N 0.37 2.49 0.00 2.72 -0.21 -1.26 -4.13 119.66 119.63 3k8e s GLN 98 Ca -0.06 1.25 0.20 0.00 0.02 0.00 0.00 55.36 56.77 3k8e s GLN 98 Cb -0.15 -1.92 0.53 0.00 1.00 0.00 0.00 33.01 32.47 3k8e s GLN 98 CO 0.04 -1.47 1.44 0.41 -2.12 0.00 0.00 175.29 173.58 3k8e n GLY 99 N -0.96 1.26 1.13 3.09 0.00 -1.26 -3.90 105.19 104.55 3k8e n GLY 99 Ca 0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 3k8e n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8e n ASP 100 N 1.00 2.64 -3.30 1.61 5.75 -1.26 -4.55 116.55 118.44 3k8e n ASP 100 Ca 0.18 -3.83 -0.25 0.00 -0.01 0.00 0.00 54.79 50.88 3k8e n ASP 100 Cb 0.47 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 39.89 3k8e n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k8e n GLU 101 N -1.08 1.64 0.24 0.11 1.02 -1.25 -1.14 120.64 120.18 3k8e n GLU 101 Ca 0.31 -3.95 0.16 0.00 -0.02 0.00 0.00 57.16 53.66 3k8e n GLU 101 Cb 0.92 -1.74 0.69 0.00 -0.02 0.00 0.00 31.44 31.29 3k8e n GLU 101 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3k8e h PRO 102 N 4.05 0.00 -0.50 3.49 0.13 -1.88 -2.85 132.00 134.44 3k8e h PRO 102 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3k8e h PRO 102 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3k8e h PRO 102 CO 0.65 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.09 3k8e n MET 103 N -2.80 2.74 -1.73 0.86 2.81 -1.26 -4.57 117.12 113.17 3k8e n MET 103 Ca 0.00 -2.28 -0.42 0.00 -1.81 0.00 0.00 57.70 53.19 3k8e n MET 103 Cb 0.24 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.32 3k8e n MET 103 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3k8e s ILE 104 N -1.02 2.68 0.28 2.02 2.07 -1.08 -4.75 121.20 121.40 3k8e s ILE 104 Ca 0.34 0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 59.38 3k8e s ILE 104 Cb 0.18 -3.06 -0.11 0.00 0.13 0.00 0.00 42.46 39.59 3k8e s ILE 104 CO 0.23 -0.00 1.57 -2.84 -1.91 0.00 0.00 174.94 171.99 3k8e s PRO 105 N 3.03 4.15 0.35 3.50 0.02 -1.26 -4.84 135.00 139.96 3k8e s PRO 105 Ca 0.81 2.52 0.04 0.00 0.02 0.00 0.00 61.00 64.39 3k8e s PRO 105 Cb -0.45 -3.05 0.64 0.00 0.02 0.00 0.00 34.50 31.67 3k8e s PRO 105 CO 0.37 -0.60 1.93 0.00 -0.33 0.00 0.00 177.00 178.37 3k8e h ALA 106 N 5.05 1.45 -0.72 -1.55 0.00 -1.91 -2.66 119.26 118.92 3k8e h ALA 106 Ca -0.46 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.33 3k8e h ALA 106 Cb 1.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3k8e h ALA 106 CO 0.80 0.41 0.47 1.79 0.00 0.00 0.00 179.25 182.73 3k8e h THR 107 N 0.59 1.12 0.00 0.00 1.35 -1.92 -2.13 112.91 111.92 3k8e h THR 107 Ca 0.14 -0.31 -0.09 0.00 -0.55 0.00 0.00 66.41 65.60 3k8e h THR 107 Cb 0.19 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 3k8e h THR 107 CO -0.01 0.16 -0.45 0.16 -0.25 0.00 0.00 175.52 175.14 3k8e h ILE 108 N 0.89 0.96 -0.30 6.82 3.07 -1.84 0.55 117.51 127.67 3k8e h ILE 108 Ca 0.28 -1.80 -0.02 0.00 1.55 0.00 0.00 64.86 64.87 3k8e h ILE 108 Cb 0.02 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.65 3k8e h ILE 108 CO -0.08 0.44 0.12 0.40 -1.05 0.00 0.00 178.15 177.98 3k8e h ILE 109 N 0.00 1.18 -0.09 0.16 2.04 -1.42 -2.72 117.51 116.66 3k8e h ILE 109 Ca -0.00 -0.55 -0.10 0.00 1.00 0.00 0.00 64.86 65.20 3k8e h ILE 109 Cb 1.05 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3k8e h ILE 109 CO 0.06 0.19 -0.40 -0.09 0.00 0.00 0.00 178.15 177.91 3k8e h ARG 110 N 0.34 0.18 -0.42 2.37 2.43 -1.14 -2.91 114.38 115.23 3k8e h ARG 110 Ca 0.10 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3k8e h ARG 110 Cb 0.19 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3k8e h ARG 110 CO -0.01 0.56 0.26 0.37 -1.51 0.00 0.00 179.97 179.64 3k8e h GLN 111 N 0.16 0.52 -0.58 0.20 4.15 -0.75 -1.54 115.11 117.27 3k8e h GLN 111 Ca 0.01 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 3k8e h GLN 111 Cb 0.77 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 3k8e h GLN 111 CO 0.06 0.35 0.03 0.28 -1.93 0.00 0.00 178.83 177.61 3k8e h VAL 112 N 0.54 1.26 -0.11 2.39 2.07 -1.35 -0.93 116.25 120.12 3k8e h VAL 112 Ca 0.16 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3k8e h VAL 112 Cb -0.03 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3k8e h VAL 112 CO -0.05 0.39 0.02 0.00 0.02 0.00 0.00 177.57 177.94 3k8e h ALA 113 N 1.11 0.15 -0.69 1.67 0.00 -1.31 -1.87 119.26 118.31 3k8e h ALA 113 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k8e h ALA 113 Cb 0.49 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3k8e h ALA 113 CO 0.02 -0.20 0.42 -0.44 0.00 0.00 0.00 179.25 179.06 3k8e h ASP 114 N -0.05 0.82 -0.91 0.00 5.19 -1.23 -0.89 116.42 119.35 3k8e h ASP 114 Ca 0.03 -0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.42 3k8e h ASP 114 Cb 0.30 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 3k8e h ASP 114 CO 0.00 0.64 0.60 0.78 -3.12 0.00 0.00 179.24 178.14 3k8e h ASN 115 N 0.94 0.99 -0.11 6.45 2.35 -1.05 -1.06 115.58 124.09 3k8e h ASN 115 Ca 0.25 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.89 3k8e h ASN 115 Cb -0.04 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.10 3k8e h ASN 115 CO -0.05 0.68 -0.31 0.25 -1.65 0.00 0.00 177.43 176.35 3k8e h LEU 116 N 1.15 0.46 -0.79 1.61 7.12 -1.04 -3.15 115.31 120.67 3k8e h LEU 116 Ca 0.36 -0.59 0.04 0.00 0.13 0.00 0.00 57.88 57.82 3k8e h LEU 116 Cb 0.01 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 39.96 3k8e h LEU 116 CO -0.11 0.97 0.49 0.00 -0.13 0.00 0.00 178.44 179.67 3k8e h ALA 117 N 0.50 1.05 0.26 1.25 0.00 -0.73 -3.09 119.26 118.50 3k8e h ALA 117 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3k8e h ALA 117 Cb 0.92 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3k8e h ALA 117 CO 0.07 0.28 -0.12 1.96 0.00 0.00 0.00 179.25 181.43 3k8e h GLN 118 N 0.94 -0.34 -7.20 0.00 4.20 -1.30 -3.45 115.11 107.96 3k8e h GLN 118 Ca 0.33 0.02 -0.45 0.00 0.06 0.00 0.00 58.65 58.61 3k8e h GLN 118 Cb 0.07 0.08 0.20 0.00 0.30 0.00 0.00 27.48 28.12 3k8e h GLN 118 CO -0.13 -0.22 0.07 1.03 -0.67 0.00 0.00 178.83 178.90 3k8e s ARG 119 N -3.65 -0.50 -0.62 1.46 0.52 -1.17 -4.97 118.95 110.02 3k8e s ARG 119 Ca -0.05 0.80 0.05 0.00 -0.52 0.00 0.00 55.73 56.00 3k8e s ARG 119 Cb 0.01 -1.61 0.33 0.00 0.52 0.00 0.00 34.95 34.20 3k8e s ARG 119 CO 0.15 -3.43 1.01 1.04 0.02 0.00 0.00 175.30 174.09 3k8e n GLN 120 N -4.71 3.40 -4.26 3.54 6.02 -1.26 -4.88 117.38 115.22 3k8e n GLN 120 Ca 0.04 -4.84 -0.25 0.00 -0.01 0.00 0.00 57.00 51.93 3k8e n GLN 120 Cb 0.55 -2.26 -0.08 0.00 1.02 0.00 0.00 30.24 29.47 3k8e n GLN 120 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k8e s VAL 121 N -4.35 3.48 0.10 5.09 0.11 -1.26 -5.05 120.40 118.51 3k8e s VAL 121 Ca 0.48 -1.66 -0.33 0.00 -2.93 0.00 0.00 61.98 57.53 3k8e s VAL 121 Cb 0.26 -2.78 -0.13 0.00 -1.53 0.00 0.00 36.38 32.20 3k8e s VAL 121 CO -0.13 -0.21 1.58 1.23 -3.33 0.00 0.00 175.10 174.24 3k8e h GLY 122 N 2.46 -1.00 -4.68 6.54 0.00 -1.92 -3.46 103.07 101.02 3k8e h GLY 122 Ca -0.46 0.53 -0.33 0.00 0.00 0.00 0.00 47.33 47.07 3k8e h GLY 122 CO 0.58 -0.30 -0.75 1.06 0.00 0.00 0.00 176.54 177.12 3k8e s MET 123 N -5.90 0.64 0.14 4.80 -1.94 -1.13 -4.45 119.30 111.46 3k8e s MET 123 Ca -0.17 -0.81 0.10 0.00 -1.71 0.00 0.00 55.69 53.10 3k8e s MET 123 Cb 0.06 -0.51 -0.04 0.00 2.01 0.00 0.00 34.83 36.35 3k8e s MET 123 CO 0.62 0.10 -0.21 0.00 -0.01 0.00 0.00 175.02 175.52 3k8e s ALA 124 N -1.30 2.58 0.15 3.03 0.00 -0.39 -0.90 121.76 124.94 3k8e s ALA 124 Ca -0.06 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 3k8e s ALA 124 Cb -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.52 3k8e s ALA 124 CO 0.01 0.54 0.27 -2.37 0.00 0.00 0.00 175.76 174.21 3k8e n THR 125 N 0.69 0.00 -4.18 0.00 5.66 0.99 -1.12 114.28 116.32 3k8e n THR 125 Ca -0.16 -0.51 -0.15 0.00 -3.05 0.00 0.00 64.05 60.18 3k8e n THR 125 Cb 0.53 0.41 -0.11 0.00 -1.55 0.00 0.00 70.33 69.61 3k8e n THR 125 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3k8e s LEU 126 N 0.00 2.41 0.07 1.09 1.02 -1.26 -2.36 118.68 119.64 3k8e s LEU 126 Ca 0.08 -0.81 -0.02 0.00 0.02 0.00 0.00 54.13 53.40 3k8e s LEU 126 Cb -0.01 -0.33 -0.03 0.00 0.02 0.00 0.00 46.19 45.83 3k8e s LEU 126 CO 0.06 -0.25 0.01 0.00 0.02 0.00 0.00 176.35 176.19 3k8e s ALA 127 N -2.42 0.45 0.03 4.21 0.00 -0.43 -0.58 121.76 123.03 3k8e s ALA 127 Ca 0.06 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3k8e s ALA 127 Cb -0.03 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3k8e s ALA 127 CO 0.00 -0.40 -0.06 0.14 0.00 0.00 0.00 175.76 175.44 3k8e s VAL 128 N -3.93 0.37 0.55 0.00 -7.23 0.04 0.63 120.40 110.83 3k8e s VAL 128 Ca 0.09 -0.85 -0.19 0.00 -1.81 0.00 0.00 61.98 59.22 3k8e s VAL 128 Cb 0.07 -0.44 -0.06 0.00 0.56 0.00 0.00 36.38 36.52 3k8e s VAL 128 CO -0.09 -0.32 1.12 -2.84 -0.31 0.00 0.00 175.10 172.66 3k8e s PRO 129 N -1.25 3.36 -0.18 4.82 0.02 -1.26 -0.22 135.00 140.29 3k8e s PRO 129 Ca -0.09 1.56 -0.09 0.00 0.02 0.00 0.00 61.00 62.40 3k8e s PRO 129 Cb -0.08 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 3k8e s PRO 129 CO -0.00 -0.84 0.13 0.42 -0.33 0.00 0.00 177.00 176.38 3k8e s ILE 130 N -1.85 5.43 -0.15 2.83 1.01 -0.29 -4.76 121.20 123.42 3k8e s ILE 130 Ca 0.72 0.19 0.12 0.00 0.00 0.00 0.00 60.65 61.68 3k8e s ILE 130 Cb -0.23 -3.44 -0.18 0.00 0.01 0.00 0.00 42.46 38.62 3k8e s ILE 130 CO 0.28 0.50 0.02 1.41 0.00 0.00 0.00 174.94 177.14 3k8e n HIS 131 N 3.05 0.00 -4.05 3.97 8.25 -1.26 -4.64 115.22 120.54 3k8e n HIS 131 Ca -0.17 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.95 3k8e n HIS 131 Cb 0.53 -0.73 -0.07 0.00 1.12 0.00 0.00 29.99 30.84 3k8e n HIS 131 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3k8e s ASN 132 N -4.94 5.91 0.42 0.41 0.01 -1.26 -4.93 114.94 110.56 3k8e s ASN 132 Ca -0.09 0.26 0.09 0.00 -0.71 0.00 0.00 52.86 52.40 3k8e s ASN 132 Cb 0.05 -1.78 0.89 0.00 0.41 0.00 0.00 41.25 40.82 3k8e s ASN 132 CO 0.58 0.32 2.03 0.00 -1.51 0.00 0.00 177.10 178.52 3k8e h ALA 133 N 4.39 1.69 -0.44 0.60 0.00 -1.91 -1.71 119.26 121.88 3k8e h ALA 133 Ca -0.51 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.38 3k8e h ALA 133 Cb 1.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3k8e h ALA 133 CO 0.62 0.25 0.17 1.49 0.00 0.00 0.00 179.25 181.78 3k8e h GLU 134 N 0.40 0.33 -0.19 0.00 4.57 -1.92 -1.54 114.58 116.23 3k8e h GLU 134 Ca 0.10 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 3k8e h GLU 134 Cb 0.06 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3k8e h GLU 134 CO -0.01 0.22 -0.52 1.49 -1.18 0.00 0.00 179.01 179.01 3k8e h GLU 135 N 0.34 0.69 -0.99 1.92 4.81 -1.85 -1.34 114.58 118.16 3k8e h GLU 135 Ca 0.20 -0.49 0.22 0.00 -0.13 0.00 0.00 59.36 59.16 3k8e h GLU 135 Cb 0.18 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 29.52 3k8e h GLU 135 CO -0.19 1.11 0.58 0.00 -0.73 0.00 0.00 179.01 179.78 3k8e h ALA 136 N 0.58 1.69 -0.50 2.92 0.00 -1.08 -1.71 119.26 121.16 3k8e h ALA 136 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k8e h ALA 136 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3k8e h ALA 136 CO 0.11 -0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.38 3k8e n PHE 137 N -4.84 0.65 -2.72 0.00 3.72 -0.60 -4.43 117.46 109.24 3k8e n PHE 137 Ca 0.25 -0.33 -0.43 0.00 -0.05 0.00 0.00 57.45 56.89 3k8e n PHE 137 Cb 0.65 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 3k8e n PHE 137 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3k8e s ASN 138 N -1.34 6.72 0.32 4.37 3.84 -0.53 -4.93 114.94 123.38 3k8e s ASN 138 Ca 0.42 0.63 0.25 0.00 0.21 0.00 0.00 52.86 54.37 3k8e s ASN 138 Cb 0.24 -2.50 1.14 0.00 -0.55 0.00 0.00 41.25 39.57 3k8e s ASN 138 CO 0.32 -0.97 1.74 -0.65 -2.79 0.00 0.00 177.10 174.75 3k8e h PRO 139 N 8.61 0.00 -0.00 0.43 0.11 -1.87 -0.93 132.00 138.35 3k8e h PRO 139 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3k8e h PRO 139 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3k8e h PRO 139 CO 1.03 0.00 -0.03 0.09 -0.21 0.00 0.00 178.00 178.88 3k8e n ASN 140 N -2.35 0.29 -4.32 -2.05 3.02 -1.26 -4.65 115.26 103.93 3k8e n ASN 140 Ca 0.01 -0.70 -0.39 0.00 -0.03 0.00 0.00 54.58 53.47 3k8e n ASN 140 Cb 0.16 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 3k8e n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k8e s ALA 141 N -2.29 3.13 -0.10 5.41 0.00 -0.35 -5.08 121.76 122.47 3k8e s ALA 141 Ca 0.36 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 3k8e s ALA 141 Cb 0.21 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 3k8e s ALA 141 CO 0.42 -1.26 1.03 0.08 0.00 0.00 0.00 175.76 176.03 3k8e s VAL 142 N 1.47 4.71 0.29 0.00 1.01 -1.26 -4.67 120.40 121.95 3k8e s VAL 142 Ca 0.00 1.99 0.02 0.00 0.00 0.00 0.00 61.98 63.99 3k8e s VAL 142 Cb -0.19 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3k8e s VAL 142 CO 0.04 -0.00 0.46 -0.54 0.00 0.00 0.00 175.10 175.05 3k8e s LYS 143 N 2.08 3.47 -0.07 2.72 3.01 0.30 -0.70 119.74 130.55 3k8e s LYS 143 Ca 0.49 -0.51 -0.05 0.00 -1.01 0.00 0.00 55.97 54.89 3k8e s LYS 143 Cb -0.19 -2.77 0.02 0.00 -1.01 0.00 0.00 37.83 33.88 3k8e s LYS 143 CO 0.18 0.29 0.17 0.54 0.51 0.00 0.00 175.35 177.04 3k8e s VAL 144 N -2.13 -0.01 -0.08 3.17 0.11 -0.98 -1.19 120.40 119.28 3k8e s VAL 144 Ca 0.37 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.51 3k8e s VAL 144 Cb -0.09 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3k8e s VAL 144 CO 0.32 0.02 -0.21 0.54 -3.33 0.00 0.00 175.10 172.44 3k8e s VAL 145 N 0.36 2.41 0.24 2.04 0.11 -1.07 -4.30 120.40 120.20 3k8e s VAL 145 Ca -0.02 -0.93 0.07 0.00 -2.93 0.00 0.00 61.98 58.17 3k8e s VAL 145 Cb -0.04 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 3k8e s VAL 145 CO -0.02 0.56 0.20 -0.76 -3.33 0.00 0.00 175.10 171.75 3k8e s LEU 146 N -0.07 3.83 0.00 2.54 1.43 -1.26 -0.38 118.68 124.77 3k8e s LEU 146 Ca -0.05 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3k8e s LEU 146 Cb -0.14 -2.37 0.11 0.00 0.03 0.00 0.00 46.19 43.81 3k8e s LEU 146 CO 0.04 -0.03 0.74 -0.90 0.23 0.00 0.00 176.35 176.44 3k8e n ASP 147 N -1.10 0.93 0.25 2.29 5.68 -0.10 -4.81 116.55 119.68 3k8e n ASP 147 Ca -0.08 -1.80 0.10 0.00 -0.50 0.00 0.00 54.79 52.52 3k8e n ASP 147 Cb 0.58 -0.49 0.63 0.00 -1.14 0.00 0.00 41.12 40.70 3k8e n ASP 147 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k8e h ALA 148 N -0.64 1.31 -0.47 2.12 0.00 -2.01 -1.62 119.26 117.95 3k8e h ALA 148 Ca -0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3k8e h ALA 148 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3k8e h ALA 148 CO 0.26 0.21 0.00 0.39 0.00 0.00 0.00 179.25 180.10 3k8e n GLU 149 N -3.74 2.29 -0.58 0.00 1.02 -1.26 -4.93 120.64 113.44 3k8e n GLU 149 Ca -0.02 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.14 3k8e n GLU 149 Cb 0.28 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3k8e n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8e n GLY 150 N 1.40 0.70 3.79 0.62 0.00 -0.61 -4.93 105.19 106.16 3k8e n GLY 150 Ca 0.19 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3k8e n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k8e s TYR 151 N -2.00 3.84 0.18 1.61 2.02 -1.26 -0.74 117.35 121.00 3k8e s TYR 151 Ca 0.00 1.47 -0.30 0.00 -0.37 0.00 0.00 57.07 57.87 3k8e s TYR 151 Cb 0.00 -2.65 -0.09 0.00 -0.40 0.00 0.00 41.96 38.82 3k8e s TYR 151 CO 0.00 0.52 1.37 0.00 -1.57 0.00 0.00 175.55 175.87 3k8e s ALA 152 N -1.18 3.58 -0.02 3.71 0.00 -0.36 -0.92 121.76 126.56 3k8e s ALA 152 Ca 0.34 1.16 -0.14 0.00 0.00 0.00 0.00 51.96 53.33 3k8e s ALA 152 Cb -0.21 -3.52 -0.33 0.00 0.00 0.00 0.00 23.12 19.07 3k8e s ALA 152 CO 0.23 -0.61 0.80 -0.07 0.00 0.00 0.00 175.76 176.11 3k8e h LEU 153 N 5.84 0.69 -7.00 0.00 3.38 -1.03 -3.44 115.31 113.74 3k8e h LEU 153 Ca -0.44 -0.93 0.04 0.00 0.09 0.00 0.00 57.88 56.64 3k8e h LEU 153 Cb 1.21 -0.22 -0.23 0.00 0.09 0.00 0.00 40.66 41.50 3k8e h LEU 153 CO 0.81 1.73 0.42 -0.47 0.09 0.00 0.00 178.44 181.02 3k8e s TYR 154 N -2.57 -0.49 0.06 1.13 5.04 -1.24 -5.04 117.35 114.25 3k8e s TYR 154 Ca -0.14 1.03 0.05 0.00 -2.44 0.00 0.00 57.07 55.57 3k8e s TYR 154 Cb 0.05 0.39 -0.04 0.00 0.35 0.00 0.00 41.96 42.71 3k8e s TYR 154 CO 0.88 -0.34 -0.03 -0.06 -1.34 0.00 0.00 175.55 174.66 3k8e s PHE 155 N -0.46 2.93 -0.14 4.97 0.08 -1.26 -2.59 117.98 121.50 3k8e s PHE 155 Ca -0.01 -0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.70 3k8e s PHE 155 Cb -0.03 -1.55 0.11 0.00 -0.57 0.00 0.00 43.02 40.99 3k8e s PHE 155 CO -0.00 0.44 0.90 0.45 -0.10 0.00 0.00 175.22 176.91 3k8e s SER 156 N -2.02 -0.47 0.25 1.36 0.15 -0.33 -4.97 113.70 107.66 3k8e s SER 156 Ca 0.22 0.55 0.26 0.00 0.70 0.00 0.00 55.95 57.68 3k8e s SER 156 Cb -0.11 0.44 0.76 0.00 -1.71 0.00 0.00 66.02 65.40 3k8e s SER 156 CO 0.14 -0.41 1.75 0.03 1.20 0.00 0.00 173.24 175.96 3k8e h ARG 157 N 2.85 0.00 -7.34 5.44 3.08 -1.84 0.86 114.38 117.44 3k8e h ARG 157 Ca -0.22 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.32 3k8e h ARG 157 Cb 1.16 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.31 3k8e h ARG 157 CO 0.31 0.00 0.35 0.00 -1.07 0.00 0.00 179.97 179.57 3k8e s ALA 158 N -3.13 2.54 -1.18 0.04 0.00 -1.26 -4.28 121.76 114.48 3k8e s ALA 158 Ca 0.10 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 3k8e s ALA 158 Cb 0.11 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 20.08 3k8e s ALA 158 CO 0.60 -1.39 1.69 0.99 0.00 0.00 0.00 175.76 177.64 3k8e s THR 159 N -3.03 3.96 -0.01 0.00 2.01 -1.26 -4.67 115.64 112.64 3k8e s THR 159 Ca 0.59 -1.38 0.03 0.00 0.31 0.00 0.00 61.69 61.24 3k8e s THR 159 Cb -0.15 -5.02 -0.03 0.00 0.01 0.00 0.00 72.50 67.31 3k8e s THR 159 CO 0.55 -1.82 -0.09 0.27 -0.69 0.00 0.00 174.62 172.84 3k8e s ILE 160 N 5.58 3.44 0.40 1.82 -4.36 -1.26 -3.41 121.20 123.42 3k8e s ILE 160 Ca 0.54 -0.78 -0.24 0.00 -0.26 0.00 0.00 60.65 59.92 3k8e s ILE 160 Cb 0.02 -2.46 -0.09 0.00 1.25 0.00 0.00 42.46 41.18 3k8e s ILE 160 CO 0.03 0.45 1.03 -2.16 0.24 0.00 0.00 174.94 174.53 3k8e s PRO 161 N -1.22 4.20 0.00 0.37 0.04 -1.26 -4.62 135.00 132.52 3k8e s PRO 161 Ca 0.15 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 3k8e s PRO 161 Cb -0.11 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 3k8e s PRO 161 CO 0.05 -0.10 1.30 -0.46 0.04 0.00 0.00 177.00 177.84 3k8e s TRP 162 N -1.71 3.09 -0.86 0.56 -0.11 -1.22 -4.97 118.94 113.72 3k8e s TRP 162 Ca 0.58 1.03 -0.17 0.00 1.22 0.00 0.00 56.10 58.76 3k8e s TRP 162 Cb -0.20 -3.55 0.17 0.00 -1.50 0.00 0.00 33.47 28.39 3k8e s TRP 162 CO 0.25 -1.90 0.93 0.34 -4.62 0.00 0.00 176.95 171.96 3k8e s ASP 163 N 1.55 6.65 0.14 5.86 -1.08 -1.26 -4.94 116.67 123.59 3k8e s ASP 163 Ca 0.61 -2.29 -0.13 0.00 -0.52 0.00 0.00 52.55 50.21 3k8e s ASP 163 Cb -0.30 -2.31 0.01 0.00 -1.46 0.00 0.00 42.92 38.87 3k8e s ASP 163 CO 0.26 -0.85 1.62 0.08 0.52 0.00 0.00 175.17 176.80 3k8e h ARG 164 N 8.39 0.78 -0.51 4.34 -0.00 -1.97 0.14 114.38 125.55 3k8e h ARG 164 Ca 0.10 -0.22 -0.11 0.00 -0.00 0.00 0.00 59.98 59.75 3k8e h ARG 164 Cb 1.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 30.90 3k8e h ARG 164 CO 0.95 0.80 -0.10 -0.44 -0.00 0.00 0.00 179.97 181.17 3k8e h ASP 165 N 0.65 0.98 -0.01 0.08 5.19 -2.00 -0.90 116.42 120.41 3k8e h ASP 165 Ca 0.14 -0.35 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 3k8e h ASP 165 Cb 0.41 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 3k8e h ASP 165 CO 0.01 1.11 -0.00 -0.09 -3.12 0.00 0.00 179.24 177.15 3k8e h ARG 166 N 0.84 0.03 0.00 3.56 2.43 -1.89 -3.23 114.38 116.12 3k8e h ARG 166 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3k8e h ARG 166 Cb 0.67 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3k8e h ARG 166 CO 0.05 0.36 0.00 1.19 -1.51 0.00 0.00 179.97 180.05 3k8e n PHE 167 N -4.91 0.08 0.18 2.20 3.72 0.48 -2.27 117.46 116.93 3k8e n PHE 167 Ca -0.08 0.03 0.02 0.00 -0.05 0.00 0.00 57.45 57.37 3k8e n PHE 167 Cb 0.19 -0.54 0.32 0.00 -0.94 0.00 0.00 39.48 38.51 3k8e n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k8e h ALA 168 N 2.79 1.26 0.14 4.37 0.00 -1.17 -3.27 119.26 123.37 3k8e h ALA 168 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 54.91 54.19 3k8e h ALA 168 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3k8e h ALA 168 CO 0.00 0.53 -1.74 0.93 0.00 0.00 0.00 179.25 178.97 3k8e h GLU 169 N 0.00 0.30 -1.35 0.00 5.08 -1.54 -3.50 114.58 113.57 3k8e h GLU 169 Ca -0.00 -0.51 0.26 0.00 -1.00 0.00 0.00 59.36 58.11 3k8e h GLU 169 Cb 0.77 0.19 -0.20 0.00 0.50 0.00 0.00 28.75 30.00 3k8e h GLU 169 CO 0.06 1.24 0.85 0.20 -1.00 0.00 0.00 179.01 180.36 3k8e s GLY 170 N -5.24 -0.23 0.00 -3.84 0.00 -0.97 -5.00 107.32 92.04 3k8e s GLY 170 Ca -0.20 1.83 0.25 0.00 0.00 0.00 0.00 44.72 46.60 3k8e s GLY 170 CO 0.79 0.64 1.65 1.04 0.00 0.00 0.00 173.10 177.22 3k8e n LEU 171 N 0.03 1.65 0.19 0.66 4.77 -1.26 -3.94 117.00 119.10 3k8e n LEU 171 Ca 0.01 -0.61 0.04 0.00 -0.03 0.00 0.00 56.01 55.42 3k8e n LEU 171 Cb 0.58 -0.05 0.46 0.00 -2.33 0.00 0.00 43.42 42.08 3k8e n LEU 171 CO 0.09 0.31 0.89 -0.33 -1.33 0.00 0.00 177.39 177.02 3k8e h GLU 172 N 2.40 0.08 -5.14 3.23 4.39 -1.94 -3.46 114.58 114.14 3k8e h GLU 172 Ca 0.00 -0.02 -0.39 0.00 0.34 0.00 0.00 59.36 59.29 3k8e h GLU 172 Cb 0.52 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.01 3k8e h GLU 172 CO 0.00 0.25 -0.66 0.95 -1.16 0.00 0.00 179.01 178.39 3k8e s THR 173 N -4.65 1.12 -0.07 1.13 -4.23 -1.26 -4.70 115.64 102.97 3k8e s THR 173 Ca -0.04 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.32 3k8e s THR 173 Cb 0.16 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.67 3k8e s THR 173 CO 0.71 -0.33 0.27 -0.69 -0.54 0.00 0.00 174.62 174.04 3k8e s VAL 174 N -3.36 0.02 0.00 2.29 1.01 -1.26 -4.92 120.40 114.17 3k8e s VAL 174 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3k8e s VAL 174 Cb 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.99 3k8e s VAL 174 CO 0.09 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3k8e n GLY 175 N 2.43 -0.67 0.07 4.51 0.00 -1.26 -4.98 105.19 105.30 3k8e n GLY 175 Ca -0.16 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.70 3k8e n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k8e n ASP 176 N 0.00 2.31 -0.14 1.61 10.43 -1.26 -4.80 116.55 124.70 3k8e n ASP 176 Ca 0.00 -3.02 0.07 0.00 2.57 0.00 0.00 54.79 54.41 3k8e n ASP 176 Cb 0.00 -0.41 -0.05 0.00 1.84 0.00 0.00 41.12 42.51 3k8e n ASP 176 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3k8e n ASN 177 N -1.38 1.03 -4.75 -2.24 6.94 -1.26 -4.91 115.26 108.69 3k8e n ASN 177 Ca 0.15 -1.02 -0.41 0.00 -0.02 0.00 0.00 54.58 53.29 3k8e n ASN 177 Cb 0.62 0.78 -0.04 0.00 -2.36 0.00 0.00 39.78 38.78 3k8e n ASN 177 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3k8e s PHE 178 N -2.10 3.52 -0.09 -2.53 0.08 -1.26 -4.94 117.98 110.66 3k8e s PHE 178 Ca 0.08 1.58 0.03 0.00 0.12 0.00 0.00 56.93 58.74 3k8e s PHE 178 Cb 0.11 -3.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.21 3k8e s PHE 178 CO 0.49 -0.79 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.15 3k8e s LEU 179 N -0.77 2.57 -0.18 -0.37 1.43 -1.26 -1.13 118.68 118.96 3k8e s LEU 179 Ca 0.48 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 3k8e s LEU 179 Cb -0.32 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3k8e s LEU 179 CO 0.38 0.24 0.06 -0.60 0.23 0.00 0.00 176.35 176.67 3k8e s ARG 180 N -0.12 3.98 0.19 1.70 3.52 0.70 -2.33 118.95 126.58 3k8e s ARG 180 Ca -0.02 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 3k8e s ARG 180 Cb -0.14 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 3k8e s ARG 180 CO 0.04 0.27 1.07 -1.58 -0.81 0.00 0.00 175.30 174.29 3k8e s HIS 181 N 0.37 3.65 -0.12 5.12 5.65 0.12 -0.78 115.29 129.30 3k8e s HIS 181 Ca 0.03 1.66 -0.04 0.00 0.25 0.00 0.00 55.06 56.97 3k8e s HIS 181 Cb -0.12 -3.23 -0.03 0.00 -1.18 0.00 0.00 32.58 28.02 3k8e s HIS 181 CO 0.00 -0.42 0.02 -0.51 -0.65 0.00 0.00 174.74 173.18 3k8e s LEU 182 N -0.56 3.62 -0.27 8.88 1.02 0.26 -4.75 118.68 126.87 3k8e s LEU 182 Ca 0.48 0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.69 3k8e s LEU 182 Cb -0.29 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.03 3k8e s LEU 182 CO 0.35 0.31 2.94 0.61 0.02 0.00 0.00 176.35 180.57 3k8e n GLY 183 N 2.63 3.79 3.63 -3.19 0.00 -1.26 -4.17 105.19 106.63 3k8e n GLY 183 Ca -0.18 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3k8e n GLY 183 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k8e s ILE 184 N -1.08 3.85 0.02 -0.61 2.07 -1.26 -4.53 121.20 119.65 3k8e s ILE 184 Ca 0.56 -0.71 -0.01 0.00 -1.41 0.00 0.00 60.65 59.08 3k8e s ILE 184 Cb 0.33 -2.69 -0.02 0.00 0.13 0.00 0.00 42.46 40.21 3k8e s ILE 184 CO -0.12 0.39 -0.01 -0.31 -1.91 0.00 0.00 174.94 172.98 3k8e s TYR 185 N -1.03 0.20 -0.01 3.50 1.51 -0.99 -4.11 117.35 116.42 3k8e s TYR 185 Ca 0.18 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 3k8e s TYR 185 Cb -0.11 -0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.57 3k8e s TYR 185 CO 0.09 -0.17 -0.22 0.20 -1.11 0.00 0.00 175.55 174.33 3k8e s GLY 186 N -1.25 1.09 0.32 0.71 0.00 -0.27 -0.04 107.32 107.88 3k8e s GLY 186 Ca -0.14 -0.97 -0.19 0.00 0.00 0.00 0.00 44.72 43.43 3k8e s GLY 186 CO -0.01 -0.80 0.78 -2.52 0.00 0.00 0.00 173.10 170.55 3k8e s TYR 187 N -0.53 -0.02 0.07 1.90 -0.85 -0.30 -1.26 117.35 116.35 3k8e s TYR 187 Ca 0.09 -0.54 -0.16 0.00 -0.52 0.00 0.00 57.07 55.93 3k8e s TYR 187 Cb -0.09 0.77 -0.06 0.00 0.38 0.00 0.00 41.96 42.96 3k8e s TYR 187 CO -0.01 -1.37 0.50 1.03 -1.52 0.00 0.00 175.55 174.18 3k8e s ARG 188 N -2.98 4.02 0.23 -3.49 0.52 -1.26 -0.14 118.95 115.84 3k8e s ARG 188 Ca 0.14 0.52 -0.07 0.00 -0.52 0.00 0.00 55.73 55.80 3k8e s ARG 188 Cb -0.05 -3.13 0.39 0.00 0.52 0.00 0.00 34.95 32.68 3k8e s ARG 188 CO 0.09 0.61 1.68 0.00 0.02 0.00 0.00 175.30 177.70 3k8e h ALA 189 N 4.27 0.82 -0.85 2.13 0.00 -0.77 -0.62 119.26 124.24 3k8e h ALA 189 Ca -0.50 0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3k8e h ALA 189 Cb 1.21 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3k8e h ALA 189 CO 0.64 -0.35 0.55 0.78 0.00 0.00 0.00 179.25 180.87 3k8e h GLY 190 N 0.22 1.20 0.76 0.00 0.00 -1.09 -1.75 103.07 102.40 3k8e h GLY 190 Ca 0.38 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3k8e h GLY 190 CO -0.51 0.33 -0.07 -2.75 0.00 0.00 0.00 176.54 173.54 3k8e h PHE 191 N 1.01 0.38 -0.42 5.60 3.57 -1.38 -3.25 116.94 122.46 3k8e h PHE 191 Ca 0.35 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 3k8e h PHE 191 Cb 0.09 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3k8e h PHE 191 CO -0.00 0.65 -0.16 0.97 -2.23 0.00 0.00 178.31 177.54 3k8e h ILE 192 N 0.01 1.26 -0.97 1.41 6.09 -1.08 -0.72 117.51 123.51 3k8e h ILE 192 Ca 0.04 -1.25 0.21 0.00 -1.37 0.00 0.00 64.86 62.49 3k8e h ILE 192 Cb 0.54 1.11 -0.12 0.00 0.47 0.00 0.00 36.82 38.83 3k8e h ILE 192 CO 0.02 0.42 0.56 0.03 -3.07 0.00 0.00 178.15 176.11 3k8e h ARG 193 N 0.70 0.60 0.08 2.19 3.08 -1.38 -2.72 114.38 116.93 3k8e h ARG 193 Ca 0.11 -0.04 -0.36 0.00 0.07 0.00 0.00 59.98 59.76 3k8e h ARG 193 Cb 0.66 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3k8e h ARG 193 CO 0.05 0.40 -2.09 0.54 -1.07 0.00 0.00 179.97 177.79 3k8e n ARG 194 N -4.87 0.72 -0.11 0.04 1.74 -0.91 -4.31 116.66 108.97 3k8e n ARG 194 Ca 0.24 0.23 0.07 0.00 -0.77 0.00 0.00 57.85 57.62 3k8e n ARG 194 Cb 0.64 -1.67 0.41 0.00 -1.02 0.00 0.00 32.46 30.83 3k8e n ARG 194 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3k8e h TYR 195 N 0.05 0.60 0.00 -1.55 3.20 -0.99 -1.51 116.97 116.77 3k8e h TYR 195 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3k8e h TYR 195 Cb 2.01 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 40.08 3k8e h TYR 195 CO 0.06 0.33 0.00 -0.39 -1.64 0.00 0.00 178.16 176.51 3k8e h VAL 196 N 0.60 0.00 0.00 1.81 -1.51 -1.67 -2.91 116.25 112.57 3k8e h VAL 196 Ca 0.26 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 3k8e h VAL 196 Cb 0.26 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 3k8e h VAL 196 CO -0.08 0.00 -1.25 0.59 -1.23 0.00 0.00 177.57 175.61 3k8e n ASN 197 N -2.43 0.57 -4.76 4.19 3.02 -0.59 -4.95 115.26 110.31 3k8e n ASN 197 Ca 0.02 -0.34 -0.41 0.00 -0.03 0.00 0.00 54.58 53.82 3k8e n ASN 197 Cb 0.26 1.12 -0.01 0.00 -0.61 0.00 0.00 39.78 40.53 3k8e n ASN 197 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3k8e s TRP 198 N -3.23 2.80 0.32 3.10 0.51 -1.10 -4.94 118.94 116.39 3k8e s TRP 198 Ca 0.02 1.02 -0.29 0.00 -2.12 0.00 0.00 56.10 54.73 3k8e s TRP 198 Cb 0.15 -3.95 -0.11 0.00 -0.81 0.00 0.00 33.47 28.74 3k8e s TRP 198 CO 0.84 -3.01 1.52 -0.65 -0.51 0.00 0.00 176.95 175.15 3k8e s GLN 199 N -1.10 4.15 0.44 4.98 1.11 -1.26 -4.92 119.66 123.06 3k8e s GLN 199 Ca 0.58 2.52 -0.23 0.00 0.01 0.00 0.00 55.36 58.23 3k8e s GLN 199 Cb -0.45 -3.02 -0.10 0.00 -1.01 0.00 0.00 33.01 28.43 3k8e s GLN 199 CO 0.52 -0.54 0.95 -2.30 0.01 0.00 0.00 175.29 173.92 3k8e n PRO 200 N 1.54 1.21 -2.40 2.91 -0.02 -1.26 -4.99 135.00 132.00 3k8e n PRO 200 Ca 0.05 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 3k8e n PRO 200 Cb 0.39 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3k8e n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3k8e s SER 201 N -0.81 6.64 0.44 2.55 0.15 -1.26 -4.96 113.70 116.44 3k8e s SER 201 Ca 0.64 2.23 0.14 0.00 0.70 0.00 0.00 55.95 59.66 3k8e s SER 201 Cb -0.55 -2.60 0.97 0.00 -1.71 0.00 0.00 66.02 62.13 3k8e s SER 201 CO 0.56 -0.59 1.98 -0.65 1.20 0.00 0.00 173.24 175.74 3k8e h PRO 202 N 2.64 0.03 -0.93 5.44 0.11 -2.00 -1.70 132.00 135.59 3k8e h PRO 202 Ca -0.48 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.78 3k8e h PRO 202 Cb 1.23 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3k8e h PRO 202 CO 0.63 0.21 0.59 -0.07 -0.21 0.00 0.00 178.00 179.15 3k8e h LEU 203 N 0.03 0.65 -0.07 2.35 3.38 -1.97 -2.85 115.31 116.84 3k8e h LEU 203 Ca 0.01 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3k8e h LEU 203 Cb 0.33 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3k8e h LEU 203 CO 0.02 0.30 -0.17 -0.33 0.09 0.00 0.00 178.44 178.35 3k8e h GLU 204 N 0.67 -0.23 0.00 1.13 5.08 -1.53 -0.72 114.58 118.98 3k8e h GLU 204 Ca 0.48 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.75 3k8e h GLU 204 Cb 0.84 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3k8e h GLU 204 CO -0.24 -0.15 -0.52 1.12 -1.00 0.00 0.00 179.01 178.22 3k8e h HIS 205 N -0.24 0.00 0.29 4.33 2.07 -1.67 0.23 115.15 120.15 3k8e h HIS 205 Ca 0.07 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.58 3k8e h HIS 205 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 3k8e h HIS 205 CO -0.25 0.52 -0.14 0.82 -3.07 0.00 0.00 177.93 175.81 3k8e h ILE 206 N 0.00 0.75 -0.00 6.12 2.04 -1.22 -3.26 117.51 121.93 3k8e h ILE 206 Ca -0.01 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3k8e h ILE 206 Cb 1.21 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3k8e h ILE 206 CO 0.07 0.10 -0.32 -0.62 0.00 0.00 0.00 178.15 177.37 3k8e n GLU 207 N -5.15 0.21 -3.88 2.37 -0.58 -0.32 -4.96 120.64 108.34 3k8e n GLU 207 Ca -0.10 -0.10 -0.25 0.00 -0.42 0.00 0.00 57.16 56.30 3k8e n GLU 207 Cb 0.25 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3k8e n GLU 207 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3k8e n MET 208 N -1.31 -3.46 -3.61 3.49 2.81 0.76 -4.82 117.12 110.98 3k8e n MET 208 Ca 0.08 0.45 -0.29 0.00 -1.81 0.00 0.00 57.70 56.13 3k8e n MET 208 Cb 0.33 -4.63 -0.15 0.00 -0.71 0.00 0.00 33.22 28.06 3k8e n MET 208 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3k8e s LEU 209 N -6.87 0.96 0.41 4.03 1.43 -0.99 -5.02 118.68 112.63 3k8e s LEU 209 Ca 0.04 -1.26 0.08 0.00 -1.03 0.00 0.00 54.13 51.96 3k8e s LEU 209 Cb -0.01 -0.48 0.85 0.00 0.03 0.00 0.00 46.19 46.58 3k8e s LEU 209 CO 0.87 -0.41 2.01 -0.08 0.23 0.00 0.00 176.35 178.97 3k8e h GLU 210 N 8.32 0.43 0.00 1.70 4.81 -1.94 -2.59 114.58 125.31 3k8e h GLU 210 Ca -0.18 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3k8e h GLU 210 Cb 1.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3k8e h GLU 210 CO 0.42 0.36 0.00 -0.56 -0.73 0.00 0.00 179.01 178.50 3k8e h GLN 211 N 0.43 0.00 -0.02 1.92 -0.00 -1.97 -1.16 115.11 114.31 3k8e h GLN 211 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 3k8e h GLN 211 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.56 3k8e h GLN 211 CO -0.01 0.00 0.06 -0.07 -0.00 0.00 0.00 178.83 178.81 3k8e h LEU 212 N 0.00 0.00 -0.86 0.06 3.38 -1.87 -1.90 115.31 114.12 3k8e h LEU 212 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3k8e h LEU 212 Cb 0.35 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 3k8e h LEU 212 CO 0.00 0.00 0.48 -0.09 0.09 0.00 0.00 178.44 178.92 3k8e h ARG 213 N 0.00 0.71 -0.41 1.13 2.43 -1.42 0.74 114.38 117.57 3k8e h ARG 213 Ca 0.01 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3k8e h ARG 213 Cb 0.13 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3k8e h ARG 213 CO -0.00 0.47 0.21 0.28 -1.51 0.00 0.00 179.97 179.42 3k8e h VAL 214 N 0.73 0.98 -0.26 0.20 2.07 -1.56 -2.51 116.25 115.90 3k8e h VAL 214 Ca 0.45 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.69 3k8e h VAL 214 Cb 0.54 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3k8e h VAL 214 CO -0.31 0.08 -0.35 -0.07 0.02 0.00 0.00 177.57 176.93 3k8e h LEU 215 N 0.42 0.77 -0.86 2.57 3.38 -1.45 -1.95 115.31 118.19 3k8e h LEU 215 Ca 0.17 -0.50 0.17 0.00 0.09 0.00 0.00 57.88 57.81 3k8e h LEU 215 Cb 0.07 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 3k8e h LEU 215 CO -0.12 1.12 0.41 -0.25 0.09 0.00 0.00 178.44 179.69 3k8e h TRP 216 N 0.44 0.70 -0.28 1.13 2.91 -0.66 -0.84 115.95 119.34 3k8e h TRP 216 Ca 0.03 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3k8e h TRP 216 Cb 0.94 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.41 3k8e h TRP 216 CO 0.08 0.09 0.00 0.66 -1.03 0.00 0.00 178.44 178.24 3k8e n TYR 217 N -4.94 0.75 -0.87 2.65 4.01 -0.96 -4.91 117.16 112.89 3k8e n TYR 217 Ca 0.18 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3k8e n TYR 217 Cb 0.51 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 3k8e n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8e n GLY 218 N 0.55 0.55 3.98 2.72 0.00 -0.32 -5.03 105.19 107.64 3k8e n GLY 218 Ca 0.12 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3k8e n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k8e s GLU 219 N -0.33 2.87 -0.04 1.61 0.41 -0.74 -5.03 118.70 117.45 3k8e s GLU 219 Ca 0.00 -0.88 0.01 0.00 -0.41 0.00 0.00 54.97 53.69 3k8e s GLU 219 Cb 0.00 -2.65 -0.03 0.00 -1.78 0.00 0.00 34.13 29.67 3k8e s GLU 219 CO 0.00 -0.32 -0.05 0.15 -0.49 0.00 0.00 175.26 174.55 3k8e s LYS 220 N -4.47 2.71 -0.21 1.61 1.02 -1.26 -3.94 119.74 115.19 3k8e s LYS 220 Ca 0.52 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.88 3k8e s LYS 220 Cb -0.10 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3k8e s LYS 220 CO 0.35 0.64 -0.06 0.42 -0.92 0.00 0.00 175.35 175.78 3k8e s ILE 221 N -0.92 3.23 0.11 2.17 1.01 -1.26 -2.83 121.20 122.72 3k8e s ILE 221 Ca 0.15 -0.55 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 3k8e s ILE 221 Cb -0.11 -2.45 -0.07 0.00 0.01 0.00 0.00 42.46 39.83 3k8e s ILE 221 CO 0.05 0.44 0.65 -2.28 0.00 0.00 0.00 174.94 173.80 3k8e s HIS 222 N 1.34 3.85 -0.16 3.97 5.65 -0.07 -1.22 115.29 128.65 3k8e s HIS 222 Ca 0.04 1.42 -0.01 0.00 0.25 0.00 0.00 55.06 56.76 3k8e s HIS 222 Cb -0.14 -2.61 0.04 0.00 -1.18 0.00 0.00 32.58 28.69 3k8e s HIS 222 CO -0.03 0.56 -0.03 0.08 -0.65 0.00 0.00 174.74 174.66 3k8e s VAL 223 N -1.13 0.90 0.16 0.89 1.01 0.08 -0.01 120.40 122.31 3k8e s VAL 223 Ca 0.32 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3k8e s VAL 223 Cb -0.21 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3k8e s VAL 223 CO 0.22 0.09 0.23 0.00 0.00 0.00 0.00 175.10 175.65 3k8e s ALA 224 N 1.72 3.81 -0.08 5.51 0.00 -1.00 -4.69 121.76 127.03 3k8e s ALA 224 Ca 0.01 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3k8e s ALA 224 Cb -0.15 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 3k8e s ALA 224 CO -0.07 0.50 1.03 0.08 0.00 0.00 0.00 175.76 177.30 3k8e s VAL 225 N -1.78 4.71 -0.12 0.00 1.01 -1.26 -1.32 120.40 121.65 3k8e s VAL 225 Ca 0.33 1.98 -0.37 0.00 0.00 0.00 0.00 61.98 63.92 3k8e s VAL 225 Cb -0.10 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 3k8e s VAL 225 CO 0.27 0.02 1.75 0.00 0.00 0.00 0.00 175.10 177.14 3k8e n ALA 226 N 4.89 0.38 -0.27 5.51 0.00 0.20 -4.84 120.51 126.37 3k8e n ALA 226 Ca 0.09 0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.97 3k8e n ALA 226 Cb 0.49 -2.35 0.33 0.00 0.00 0.00 0.00 19.45 17.92 3k8e n ALA 226 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3k8e h GLN 227 N 7.74 0.79 -4.08 0.00 4.15 -1.91 -3.37 115.11 118.42 3k8e h GLN 227 Ca -0.47 -0.05 -0.54 0.00 0.77 0.00 0.00 58.65 58.36 3k8e h GLN 227 Cb 1.29 -0.18 -0.38 0.00 0.21 0.00 0.00 27.48 28.43 3k8e h GLN 227 CO 0.93 0.52 -0.79 -2.00 -1.93 0.00 0.00 178.83 175.56 3k8e s GLU 228 N -5.76 1.32 -0.11 1.69 2.12 -1.26 -5.10 118.70 111.60 3k8e s GLU 228 Ca -0.10 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.50 3k8e s GLU 228 Cb 0.21 -1.88 -0.08 0.00 0.26 0.00 0.00 34.13 32.64 3k8e s GLU 228 CO 0.79 -0.42 2.07 0.28 -0.54 0.00 0.00 175.26 177.45 3k8e n VAL 229 N 4.92 0.53 -2.38 3.70 0.31 -1.26 -4.93 118.33 119.22 3k8e n VAL 229 Ca -0.11 -0.27 -0.27 0.00 -0.01 0.00 0.00 64.34 63.68 3k8e n VAL 229 Cb 0.48 -2.28 0.02 0.00 -0.91 0.00 0.00 33.84 31.15 3k8e n VAL 229 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3k8e s PRO 230 N 5.26 3.13 0.54 5.55 0.04 -1.26 -5.04 135.00 143.23 3k8e s PRO 230 Ca 0.96 0.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 3k8e s PRO 230 Cb -0.48 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 3k8e s PRO 230 CO 0.42 -0.59 0.89 0.20 0.04 0.00 0.00 177.00 177.96 3k8e s GLY 231 N -4.25 1.56 0.46 0.56 0.00 -1.26 -5.03 107.32 99.36 3k8e s GLY 231 Ca 0.53 -0.37 -0.24 0.00 0.00 0.00 0.00 44.72 44.63 3k8e s GLY 231 CO 0.46 -0.16 1.26 2.41 0.00 0.00 0.00 173.10 177.07 3k8e n THR 232 N -2.47 2.84 -2.25 0.90 -1.04 -1.26 -4.92 114.28 106.08 3k8e n THR 232 Ca 0.03 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.16 3k8e n THR 232 Cb 0.55 -1.55 -0.01 0.00 -1.82 0.00 0.00 70.33 67.50 3k8e n THR 232 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3k8e s GLY 233 N -0.65 2.85 -0.75 3.41 0.00 -1.26 -4.95 107.32 105.97 3k8e s GLY 233 Ca 0.64 0.99 -0.26 0.00 0.00 0.00 0.00 44.72 46.09 3k8e s GLY 233 CO 0.56 1.50 1.44 0.14 0.00 0.00 0.00 173.10 176.74 3k8e s VAL 234 N -1.43 3.66 -0.27 1.40 1.01 -0.29 -4.73 120.40 119.74 3k8e s VAL 234 Ca 0.59 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.81 3k8e s VAL 234 Cb -0.31 -4.70 -0.01 0.00 0.00 0.00 0.00 36.38 31.36 3k8e s VAL 234 CO 0.39 -1.64 0.32 0.47 0.00 0.00 0.00 175.10 174.64 3k8e n ASP 235 N 10.19 0.60 -4.02 3.32 8.00 -1.26 -4.88 116.55 128.51 3k8e n ASP 235 Ca 0.11 -0.80 -0.08 0.00 0.71 0.00 0.00 54.79 54.73 3k8e n ASP 235 Cb 0.50 0.61 -0.09 0.00 -0.02 0.00 0.00 41.12 42.12 3k8e n ASP 235 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3k8e s THR 236 N -0.92 0.18 0.48 -3.53 -4.23 -1.26 -4.65 115.64 101.70 3k8e s THR 236 Ca 0.02 -1.61 0.21 0.00 -1.18 0.00 0.00 61.69 59.14 3k8e s THR 236 Cb 0.03 -1.53 0.38 0.00 1.34 0.00 0.00 72.50 72.72 3k8e s THR 236 CO 0.10 -0.81 1.95 -0.65 -0.54 0.00 0.00 174.62 174.67 3k8e h PRO 237 N 2.97 0.19 -0.11 3.99 0.11 -1.98 -1.56 132.00 135.62 3k8e h PRO 237 Ca -0.34 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 3k8e h PRO 237 Cb 1.17 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3k8e h PRO 237 CO 0.62 0.13 -0.03 0.93 -0.21 0.00 0.00 178.00 179.43 3k8e h GLU 238 N 0.20 0.21 -0.87 1.05 3.07 -1.96 -0.80 114.58 115.48 3k8e h GLU 238 Ca 0.32 -0.08 0.12 0.00 -0.50 0.00 0.00 59.36 59.22 3k8e h GLU 238 Cb 0.99 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.82 3k8e h GLU 238 CO -0.06 0.53 0.56 -0.44 -1.40 0.00 0.00 179.01 178.20 3k8e h ASP 239 N -0.12 0.70 -0.05 1.42 3.32 -1.78 -0.87 116.42 119.03 3k8e h ASP 239 Ca 0.03 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3k8e h ASP 239 Cb 0.46 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3k8e h ASP 239 CO 0.01 0.39 -0.07 0.25 -1.72 0.00 0.00 179.24 178.10 3k8e h LEU 240 N 0.76 0.14 -0.53 1.55 5.85 -1.06 -0.96 115.31 121.06 3k8e h LEU 240 Ca 0.42 -0.53 0.07 0.00 0.84 0.00 0.00 57.88 58.68 3k8e h LEU 240 Cb 0.57 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3k8e h LEU 240 CO -0.18 0.64 0.21 -0.33 -0.34 0.00 0.00 178.44 178.43 3k8e h GLU 241 N -0.35 0.38 -0.47 1.25 5.08 -0.93 -2.13 114.58 117.40 3k8e h GLU 241 Ca 0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3k8e h GLU 241 Cb 0.61 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3k8e h GLU 241 CO 0.02 0.25 0.28 -0.09 -1.00 0.00 0.00 179.01 178.47 3k8e h ARG 242 N 0.40 0.65 -0.10 2.33 2.43 -1.12 -3.14 114.38 115.84 3k8e h ARG 242 Ca 0.25 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 3k8e h ARG 242 Cb 0.26 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3k8e h ARG 242 CO -0.24 0.48 -0.50 0.28 -1.51 0.00 0.00 179.97 178.48 3k8e h VAL 243 N 0.63 1.35 -0.39 0.20 2.07 -1.00 -3.02 116.25 116.09 3k8e h VAL 243 Ca 0.17 -1.74 0.11 0.00 0.82 0.00 0.00 66.70 66.06 3k8e h VAL 243 Cb 0.01 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3k8e h VAL 243 CO -0.03 0.52 0.35 0.03 0.02 0.00 0.00 177.57 178.46 3k8e h ARG 244 N 0.20 0.00 0.00 1.57 3.08 -1.33 -3.51 114.38 114.39 3k8e h ARG 244 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3k8e h ARG 244 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3k8e h ARG 244 CO 0.08 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.98