#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6h h LYS 2 N 0.00 0.00 -5.94 2.12 2.10 -2.00 -3.46 116.57 109.40 2k6h h LYS 2 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2k6h h LYS 2 Cb 0.00 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.26 2k6h h LYS 2 CO 0.00 0.00 0.25 1.03 -2.00 0.00 0.00 179.45 178.73 2k6h s ARG 3 N -3.31 4.33 -0.72 0.07 3.00 -1.26 -4.90 118.95 116.17 2k6h s ARG 3 Ca 0.02 0.92 -0.17 0.00 0.00 0.00 0.00 55.73 56.50 2k6h s ARG 3 Cb 0.10 -3.53 0.15 0.00 0.00 0.00 0.00 34.95 31.68 2k6h s ARG 3 CO 0.77 -0.18 0.76 -1.50 0.00 0.00 0.00 175.30 175.15 2k6h s ILE 4 N 1.66 5.16 0.20 1.52 -1.16 -1.26 -5.03 121.20 122.28 2k6h s ILE 4 Ca 0.37 -1.71 -0.30 0.00 -0.51 0.00 0.00 60.65 58.49 2k6h s ILE 4 Cb -0.17 -4.50 -0.09 0.00 0.61 0.00 0.00 42.46 38.31 2k6h s ILE 4 CO 0.14 -1.11 1.29 0.54 -2.81 0.00 0.00 174.94 172.99 2k6h s VAL 5 N 1.59 3.27 0.52 4.00 0.11 -1.26 -4.76 120.40 123.87 2k6h s VAL 5 Ca 0.16 1.05 -0.21 0.00 -2.93 0.00 0.00 61.98 60.05 2k6h s VAL 5 Cb -0.17 -3.67 -0.06 0.00 -1.53 0.00 0.00 36.38 30.95 2k6h s VAL 5 CO -0.02 0.16 1.16 -2.16 -3.33 0.00 0.00 175.10 170.91 2k6h s PRO 6 N -0.16 3.42 0.01 1.54 0.04 -1.26 -4.84 135.00 133.75 2k6h s PRO 6 Ca 0.56 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 63.06 2k6h s PRO 6 Cb -0.36 -2.13 -0.17 0.00 0.04 0.00 0.00 34.50 31.88 2k6h s PRO 6 CO 0.38 -0.81 1.30 0.87 0.04 0.00 0.00 177.00 178.78 2k6h h LYS 7 N 1.43 -0.27 -4.59 4.56 1.79 -1.91 -3.47 116.57 114.11 2k6h h LYS 7 Ca -0.50 0.02 -0.37 0.00 -2.18 0.00 0.00 60.65 57.62 2k6h h LYS 7 Cb 1.26 0.06 -0.12 0.00 -1.58 0.00 0.00 32.23 31.86 2k6h h LYS 7 CO 0.58 0.05 -0.41 -0.06 -1.08 0.00 0.00 179.45 178.53 2k6h s PHE 8 N -4.76 1.43 -0.01 -1.35 0.08 -1.26 -5.18 117.98 106.93 2k6h s PHE 8 Ca -0.14 -1.49 0.05 0.00 0.12 0.00 0.00 56.93 55.47 2k6h s PHE 8 Cb 0.02 -0.48 -0.01 0.00 -0.57 0.00 0.00 43.02 41.98 2k6h s PHE 8 CO 0.59 -0.92 -0.17 -0.08 -0.10 0.00 0.00 175.22 174.54 2k6h s THR 9 N -3.45 1.33 -0.49 0.64 -1.32 -1.26 -4.47 115.64 106.62 2k6h s THR 9 Ca 0.37 -0.75 -0.18 0.00 -1.21 0.00 0.00 61.69 59.92 2k6h s THR 9 Cb 0.02 -1.11 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 2k6h s THR 9 CO 0.23 0.35 0.55 -1.61 -2.21 0.00 0.00 174.62 171.93 2k6h s GLU 10 N -0.46 3.09 -0.15 7.08 0.41 -0.73 -4.96 118.70 122.98 2k6h s GLU 10 Ca 0.06 -0.96 -0.12 0.00 -0.41 0.00 0.00 54.97 53.55 2k6h s GLU 10 Cb -0.07 -4.08 -0.05 0.00 -1.78 0.00 0.00 34.13 28.15 2k6h s GLU 10 CO -0.00 -1.13 0.24 0.42 -0.49 0.00 0.00 175.26 174.30 2k6h s ILE 11 N 2.36 5.34 -0.18 -1.63 1.01 -1.26 -0.83 121.20 126.00 2k6h s ILE 11 Ca 0.13 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.21 2k6h s ILE 11 Cb -0.20 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.75 2k6h s ILE 11 CO 0.11 0.45 -0.03 -0.36 0.00 0.00 0.00 174.94 175.11 2k6h s PHE 12 N 0.09 1.65 -0.38 3.97 0.08 0.03 -4.95 117.98 118.46 2k6h s PHE 12 Ca 0.15 -1.14 -0.28 0.00 0.12 0.00 0.00 56.93 55.78 2k6h s PHE 12 Cb -0.13 -1.28 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 2k6h s PHE 12 CO 0.03 -0.64 1.98 -2.14 -0.10 0.00 0.00 175.22 174.36 2k6h s PRO 13 N 1.65 2.98 0.10 0.24 0.02 -1.26 -1.46 135.00 137.27 2k6h s PRO 13 Ca -0.01 1.39 -0.13 0.00 0.02 0.00 0.00 61.00 62.27 2k6h s PRO 13 Cb -0.16 -4.32 -0.15 0.00 0.02 0.00 0.00 34.50 29.89 2k6h s PRO 13 CO -0.07 -2.28 1.32 0.28 -0.33 0.00 0.00 177.00 175.92 2k6h h VAL 14 N 7.02 1.28 -0.43 3.83 2.07 -0.99 -3.32 116.25 125.71 2k6h h VAL 14 Ca -0.32 -1.91 -0.08 0.00 0.82 0.00 0.00 66.70 65.21 2k6h h VAL 14 Cb 1.20 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2k6h h VAL 14 CO 1.07 0.61 -0.04 -0.08 0.02 0.00 0.00 177.57 179.15 2k6h h GLU 15 N 0.54 0.73 -4.87 1.57 4.57 -1.89 -3.34 114.58 111.88 2k6h h GLU 15 Ca -0.04 -0.20 -0.71 0.00 -1.18 0.00 0.00 59.36 57.23 2k6h h GLU 15 Cb 1.34 -0.08 -0.18 0.00 -0.16 0.00 0.00 28.75 29.67 2k6h h GLU 15 CO 0.15 0.77 0.95 0.34 -1.18 0.00 0.00 179.01 180.03 2k6h s ASP 16 N -6.68 6.78 0.00 1.04 2.15 -1.25 -4.91 116.67 113.80 2k6h s ASP 16 Ca -0.09 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 50.51 2k6h s ASP 16 Cb 0.15 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2k6h s ASP 16 CO 0.80 -0.93 1.21 0.00 -0.17 0.00 0.00 175.17 176.08 2k6h n ALA 17 N 6.10 2.98 -0.21 3.66 0.00 -1.26 -4.45 120.51 127.33 2k6h n ALA 17 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 2k6h n ALA 17 Cb 0.47 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.66 2k6h n ALA 17 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2k6h h ASN 18 N 1.84 0.78 -3.06 0.00 -0.73 -1.91 -3.42 115.58 109.08 2k6h h ASN 18 Ca 0.00 -0.13 -0.60 0.00 1.87 0.00 0.00 56.30 57.44 2k6h h ASN 18 Cb 0.65 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 38.99 2k6h h ASN 18 CO 0.00 0.69 -0.20 -0.72 -0.37 0.00 0.00 177.43 176.82 2k6h s TYR 19 N -5.73 3.68 0.79 0.67 1.13 -1.26 -5.10 117.35 111.53 2k6h s TYR 19 Ca -0.13 0.95 -0.11 0.00 -1.41 0.00 0.00 57.07 56.37 2k6h s TYR 19 Cb 0.13 -2.26 0.07 0.00 -1.10 0.00 0.00 41.96 38.79 2k6h s TYR 19 CO 0.78 0.60 1.09 -1.25 -2.51 0.00 0.00 175.55 174.25 2k6h s PRO 20 N -1.36 2.14 0.37 -3.49 0.04 -1.26 -4.89 135.00 126.55 2k6h s PRO 20 Ca 0.27 0.91 0.10 0.00 0.04 0.00 0.00 61.00 62.33 2k6h s PRO 20 Cb -0.16 -1.90 0.74 0.00 0.04 0.00 0.00 34.50 33.22 2k6h s PRO 20 CO 0.15 -1.65 1.86 -0.92 0.04 0.00 0.00 177.00 176.49 2k6h h TYR 21 N -1.12 0.16 -0.25 0.56 3.20 -1.92 -1.35 116.97 116.25 2k6h h TYR 21 Ca -0.46 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.44 2k6h h TYR 21 Cb 1.25 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.43 2k6h h TYR 21 CO 0.52 0.39 -0.08 1.03 -1.64 0.00 0.00 178.16 178.39 2k6h h SER 22 N 0.13 -0.27 -0.52 -2.11 0.87 -1.93 -0.43 113.55 109.29 2k6h h SER 22 Ca 0.02 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 2k6h h SER 22 Cb 0.52 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2k6h h SER 22 CO 0.04 -0.10 -0.01 0.00 -0.53 0.00 0.00 176.83 176.22 2k6h h ALA 23 N 1.21 0.70 0.11 6.23 0.00 -1.74 0.47 119.26 126.24 2k6h h ALA 23 Ca 0.12 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2k6h h ALA 23 Cb 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2k6h h ALA 23 CO -0.27 0.53 -0.43 0.35 0.00 0.00 0.00 179.25 179.43 2k6h h PHE 24 N 0.79 -1.22 -0.44 0.00 3.57 -1.01 -0.94 116.94 117.69 2k6h h PHE 24 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2k6h h PHE 24 Cb 0.54 0.52 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2k6h h PHE 24 CO 0.04 -0.53 0.25 0.82 -2.23 0.00 0.00 178.31 176.67 2k6h h ILE 25 N -0.66 1.15 -0.68 1.41 1.08 -0.98 -2.95 117.51 115.88 2k6h h ILE 25 Ca 0.02 -0.38 0.09 0.00 -0.39 0.00 0.00 64.86 64.21 2k6h h ILE 25 Cb 0.69 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 34.96 2k6h h ILE 25 CO -0.26 0.16 0.32 0.00 -0.69 0.00 0.00 178.15 177.68 2k6h h ALA 26 N 1.10 0.93 0.28 1.87 0.00 -0.53 0.26 119.26 123.16 2k6h h ALA 26 Ca 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k6h h ALA 26 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k6h h ALA 26 CO -0.03 -0.09 -0.23 1.03 0.00 0.00 0.00 179.25 179.94 2k6h h SER 27 N 0.55 -0.59 -0.54 0.00 0.87 -1.02 -0.82 113.55 112.00 2k6h h SER 27 Ca 0.34 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.88 2k6h h SER 27 Cb 0.37 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2k6h h SER 27 CO -0.28 -0.34 0.08 0.58 -0.53 0.00 0.00 176.83 176.34 2k6h h VAL 28 N -0.51 1.25 -0.07 2.23 2.07 -1.34 -3.19 116.25 116.69 2k6h h VAL 28 Ca -0.02 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.57 2k6h h VAL 28 Cb 0.46 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2k6h h VAL 28 CO -0.02 0.35 -0.17 -0.09 0.02 0.00 0.00 177.57 177.66 2k6h h ARG 29 N 0.79 -0.23 -0.70 1.57 2.43 -0.24 -1.98 114.38 116.01 2k6h h ARG 29 Ca 0.16 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 2k6h h ARG 29 Cb 0.42 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 2k6h h ARG 29 CO 0.01 -0.16 0.33 0.87 -1.51 0.00 0.00 179.97 179.52 2k6h h LYS 30 N -0.24 0.54 -0.34 0.20 1.79 -1.14 -0.70 116.57 116.67 2k6h h LYS 30 Ca 0.08 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.35 2k6h h LYS 30 Cb 0.35 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2k6h h LYS 30 CO -0.22 0.36 -0.43 0.22 -1.08 0.00 0.00 179.45 178.31 2k6h h ASP 31 N 0.56 0.97 -0.01 0.86 3.58 -1.50 -3.04 116.42 117.85 2k6h h ASP 31 Ca 0.35 -0.49 -0.12 0.00 0.42 0.00 0.00 57.03 57.20 2k6h h ASP 31 Cb 0.40 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2k6h h ASP 31 CO -0.29 1.26 -0.35 1.62 -2.88 0.00 0.00 179.24 178.61 2k6h h VAL 32 N 0.70 1.29 -0.47 2.25 3.04 -0.89 -2.99 116.25 119.17 2k6h h VAL 32 Ca 0.04 -1.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.28 2k6h h VAL 32 Cb 1.03 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 2k6h h VAL 32 CO 0.10 0.46 0.30 0.40 -1.01 0.00 0.00 177.57 177.81 2k6h h ILE 33 N 0.41 1.13 -0.68 3.17 2.04 -1.04 -0.18 117.51 122.37 2k6h h ILE 33 Ca 0.05 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2k6h h ILE 33 Cb 0.81 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2k6h h ILE 33 CO 0.07 0.13 0.45 0.50 0.00 0.00 0.00 178.15 179.29 2k6h h LYS 34 N 0.64 0.62 0.17 2.37 3.64 -1.42 -2.74 116.57 119.85 2k6h h LYS 34 Ca 0.17 -0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 59.22 2k6h h LYS 34 Cb -0.05 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2k6h h LYS 34 CO -0.03 0.41 -1.34 0.45 -2.27 0.00 0.00 179.45 176.67 2k6h h HIS 35 N 0.64 0.65 -3.44 1.91 3.86 -1.12 -3.46 115.15 114.18 2k6h h HIS 35 Ca 0.30 -0.47 -0.45 0.00 -1.16 0.00 0.00 60.37 58.59 2k6h h HIS 35 Cb 0.34 -0.03 0.20 0.00 1.06 0.00 0.00 27.41 28.99 2k6h h HIS 35 CO -0.00 1.38 0.06 0.00 0.86 0.00 0.00 177.93 180.22 2k6h s THR 37 N -2.55 2.16 0.81 0.00 2.01 -0.03 -4.91 115.64 113.13 2k6h s THR 37 Ca 0.68 -2.14 -0.12 0.00 0.31 0.00 0.00 61.69 60.42 2k6h s THR 37 Cb -0.24 -2.09 0.08 0.00 0.01 0.00 0.00 72.50 70.26 2k6h s THR 37 CO 0.63 -0.33 1.10 -1.81 -0.69 0.00 0.00 174.62 173.52 2k6h s ASP 38 N -3.02 4.40 0.02 3.53 1.01 -1.26 -0.95 116.67 120.40 2k6h s ASP 38 Ca 0.22 1.29 -0.01 0.00 0.71 0.00 0.00 52.55 54.76 2k6h s ASP 38 Cb -0.05 -2.01 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 2k6h s ASP 38 CO 0.10 -2.02 -0.01 -2.28 0.21 0.00 0.00 175.17 171.17 2k6h s HIS 39 N -3.16 0.26 0.23 4.23 5.65 -1.26 -4.85 115.29 116.39 2k6h s HIS 39 Ca 0.61 -0.53 -0.31 0.00 0.25 0.00 0.00 55.06 55.08 2k6h s HIS 39 Cb -0.14 -0.19 -0.11 0.00 -1.18 0.00 0.00 32.58 30.96 2k6h s HIS 39 CO 0.54 -0.23 1.57 0.15 -0.65 0.00 0.00 174.74 176.13 2k6h s LYS 40 N -1.73 4.18 0.00 2.88 3.01 -1.26 -2.39 119.74 124.43 2k6h s LYS 40 Ca -0.13 2.46 0.00 0.00 -1.01 0.00 0.00 55.97 57.28 2k6h s LYS 40 Cb -0.08 -3.09 0.00 0.00 -1.01 0.00 0.00 37.83 33.65 2k6h s LYS 40 CO -0.02 -0.59 0.00 0.41 0.51 0.00 0.00 175.35 175.66 2k6h n GLY 41 N 2.93 0.66 3.18 -3.33 0.00 -1.26 -4.74 105.19 102.63 2k6h n GLY 41 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2k6h n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6h s ILE 42 N -2.95 3.00 0.17 -0.61 1.01 -1.00 -4.32 121.20 116.50 2k6h s ILE 42 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 60.65 59.19 2k6h s ILE 42 Cb 0.00 -2.71 0.07 0.00 0.01 0.00 0.00 42.46 39.83 2k6h s ILE 42 CO 0.00 -0.09 1.68 0.15 0.00 0.00 0.00 174.94 176.68 2k6h h PHE 43 N 8.00 1.02 -2.90 3.97 3.57 -1.94 -3.38 116.94 125.27 2k6h h PHE 43 Ca -0.22 -0.13 -0.52 0.00 3.53 0.00 0.00 57.97 60.63 2k6h h PHE 43 Cb 1.06 -0.28 0.05 0.00 2.79 0.00 0.00 35.95 39.57 2k6h h PHE 43 CO 0.61 0.86 0.87 -0.65 -2.23 0.00 0.00 178.31 177.77 2k6h s GLN 44 N -5.28 4.22 0.30 1.11 1.11 -1.26 -4.97 119.66 114.88 2k6h s GLN 44 Ca -0.12 2.37 -0.29 0.00 0.01 0.00 0.00 55.36 57.32 2k6h s GLN 44 Cb 0.13 -3.14 -0.13 0.00 -1.01 0.00 0.00 33.01 28.86 2k6h s GLN 44 CO 0.82 -0.59 1.27 -2.30 0.01 0.00 0.00 175.29 174.51 2k6h n PRO 45 N 3.71 1.93 -4.03 2.91 -0.02 -1.26 -4.75 135.00 133.48 2k6h n PRO 45 Ca 0.13 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.94 2k6h n PRO 45 Cb 0.39 -2.25 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 2k6h n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k6h s VAL 46 N -0.74 4.36 0.91 -1.45 1.01 -0.13 -1.97 120.40 122.39 2k6h s VAL 46 Ca 0.60 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 2k6h s VAL 46 Cb -0.63 -2.98 0.14 0.00 0.00 0.00 0.00 36.38 32.92 2k6h s VAL 46 CO 0.58 0.43 1.11 -0.76 0.00 0.00 0.00 175.10 176.45 2k6h s LEU 47 N 0.79 2.50 0.78 3.92 1.02 -0.70 -0.85 118.68 126.14 2k6h s LEU 47 Ca 0.02 1.87 -0.11 0.00 0.02 0.00 0.00 54.13 55.92 2k6h s LEU 47 Cb -0.14 -4.27 0.06 0.00 0.02 0.00 0.00 46.19 41.86 2k6h s LEU 47 CO 0.02 -2.90 1.09 -2.16 0.02 0.00 0.00 176.35 172.42 2k6h s PRO 48 N -4.74 2.26 1.00 1.29 0.04 -1.26 -3.73 135.00 129.85 2k6h s PRO 48 Ca 0.65 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 2k6h s PRO 48 Cb -0.21 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.56 2k6h s PRO 48 CO 0.58 -1.52 0.93 -2.30 0.04 0.00 0.00 177.00 174.73 2k6h n PRO 49 N -3.38 -0.99 -2.25 0.56 -0.02 -1.26 -4.49 135.00 123.18 2k6h n PRO 49 Ca 0.07 -0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 60.91 2k6h n PRO 49 Cb 0.56 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2k6h n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2k6h s GLU 50 N -4.35 3.01 0.24 -0.52 2.12 -1.26 -4.88 118.70 113.05 2k6h s GLU 50 Ca 0.65 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 56.15 2k6h s GLU 50 Cb -0.23 -4.25 -0.09 0.00 0.26 0.00 0.00 34.13 29.83 2k6h s GLU 50 CO 0.62 -2.29 0.91 0.15 -0.54 0.00 0.00 175.26 174.10 2k6h s LYS 51 N 6.18 4.78 0.12 4.30 -0.14 -1.26 -4.99 119.74 128.72 2k6h s LYS 51 Ca 0.57 1.41 -0.01 0.00 -1.36 0.00 0.00 55.97 56.58 2k6h s LYS 51 Cb -0.12 -3.22 -0.16 0.00 -1.68 0.00 0.00 37.83 32.65 2k6h s LYS 51 CO 0.22 0.50 1.25 -0.22 -0.76 0.00 0.00 175.35 176.34 2k6h h LYS 52 N 4.06 0.25 -2.85 1.68 3.64 -2.05 -3.40 116.57 117.90 2k6h h LYS 52 Ca -0.46 -0.34 -0.61 0.00 -1.27 0.00 0.00 60.65 57.98 2k6h h LYS 52 Cb 1.20 0.11 -0.40 0.00 -0.41 0.00 0.00 32.23 32.73 2k6h h LYS 52 CO 0.67 1.10 -0.75 0.14 -2.27 0.00 0.00 179.45 178.35 2k6h s VAL 53 N -2.93 1.64 0.69 2.00 -7.23 -1.26 -4.88 120.40 108.43 2k6h s VAL 53 Ca -0.03 -3.19 -0.12 0.00 -1.81 0.00 0.00 61.98 56.83 2k6h s VAL 53 Cb 0.09 -2.11 0.17 0.00 0.56 0.00 0.00 36.38 35.08 2k6h s VAL 53 CO 0.86 -1.03 0.72 -0.81 -0.31 0.00 0.00 175.10 174.53 2k6h n PRO 54 N 2.80 -1.74 -0.01 4.82 -0.04 -1.26 -4.99 135.00 134.57 2k6h n PRO 54 Ca 0.18 -1.13 -0.11 0.00 -0.04 0.00 0.00 63.50 62.40 2k6h n PRO 54 Cb 0.38 -0.93 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 2k6h n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k6h h GLU 55 N 0.00 0.14 -3.50 0.54 4.57 -1.99 -3.48 114.58 110.86 2k6h h GLU 55 Ca -0.25 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.84 2k6h h GLU 55 Cb 0.75 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.25 2k6h h GLU 55 CO 0.17 0.22 0.00 -0.48 -1.18 0.00 0.00 179.01 177.74 2k6h s LEU 56 N -9.93 0.28 0.21 1.64 0.05 -1.26 -4.92 118.68 104.75 2k6h s LEU 56 Ca -0.14 -1.00 -0.04 0.00 0.05 0.00 0.00 54.13 53.00 2k6h s LEU 56 Cb 0.06 2.08 -0.03 0.00 -2.05 0.00 0.00 46.19 46.25 2k6h s LEU 56 CO 0.68 -1.30 0.23 -1.66 -0.55 0.00 0.00 176.35 173.76 2k6h s TRP 57 N -3.54 0.93 -0.45 3.48 1.48 -1.26 -4.70 118.94 114.88 2k6h s TRP 57 Ca 0.21 -1.19 -0.22 0.00 -1.06 0.00 0.00 56.10 53.84 2k6h s TRP 57 Cb -0.02 -0.34 0.03 0.00 -1.16 0.00 0.00 33.47 31.97 2k6h s TRP 57 CO 0.11 -0.75 0.71 -0.51 -4.06 0.00 0.00 176.95 172.45 2k6h s LEU 58 N -3.12 4.42 -0.21 -4.66 1.43 -0.54 -4.66 118.68 111.35 2k6h s LEU 58 Ca 0.34 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 2k6h s LEU 58 Cb 0.05 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 2k6h s LEU 58 CO 0.11 -0.86 0.07 -0.47 0.23 0.00 0.00 176.35 175.43 2k6h s TYR 59 N 3.03 3.18 0.01 0.29 5.04 -1.26 -0.98 117.35 126.66 2k6h s TYR 59 Ca 0.25 -0.09 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 2k6h s TYR 59 Cb -0.14 -2.14 -0.01 0.00 0.35 0.00 0.00 41.96 40.03 2k6h s TYR 59 CO 0.20 -0.03 -0.09 0.99 -1.34 0.00 0.00 175.55 175.28 2k6h s THR 60 N 0.83 0.71 -0.16 4.34 2.01 -0.86 -1.78 115.64 120.73 2k6h s THR 60 Ca 0.04 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.42 2k6h s THR 60 Cb -0.14 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.76 2k6h s THR 60 CO 0.02 0.04 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.17 2k6h s GLU 61 N -0.65 2.15 -0.28 4.92 2.12 -0.01 -0.77 118.70 126.17 2k6h s GLU 61 Ca 0.00 -0.63 -0.18 0.00 0.36 0.00 0.00 54.97 54.53 2k6h s GLU 61 Cb -0.05 -2.18 -0.02 0.00 0.26 0.00 0.00 34.13 32.14 2k6h s GLU 61 CO 0.00 -0.30 0.51 -0.51 -0.54 0.00 0.00 175.26 174.42 2k6h s LEU 62 N 1.47 4.11 -0.17 2.70 1.02 -0.32 -0.79 118.68 126.71 2k6h s LEU 62 Ca 0.03 0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.56 2k6h s LEU 62 Cb -0.14 -2.64 0.01 0.00 0.02 0.00 0.00 46.19 43.44 2k6h s LEU 62 CO -0.10 -0.33 -0.16 -0.75 0.02 0.00 0.00 176.35 175.02 2k6h s LYS 63 N 2.33 3.13 0.00 1.70 2.20 -0.54 -1.49 119.74 127.08 2k6h s LYS 63 Ca 0.20 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2k6h s LYS 63 Cb -0.16 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 2k6h s LYS 63 CO 0.10 -0.10 0.00 0.25 -0.36 0.00 0.00 175.35 175.24 2k6h n THR 64 N 4.36 0.00 -0.35 3.43 -2.24 0.37 -0.28 114.28 119.58 2k6h n THR 64 Ca -0.20 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.72 2k6h n THR 64 Cb 0.51 -0.92 0.34 0.00 -2.10 0.00 0.00 70.33 68.16 2k6h n THR 64 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2k6h h ARG 65 N 0.00 0.70 0.00 -0.78 2.43 -1.96 -3.34 114.38 111.43 2k6h h ARG 65 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k6h h ARG 65 Cb 0.00 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2k6h h ARG 65 CO 0.00 0.47 -0.63 2.41 -1.51 0.00 0.00 179.97 180.70 2k6h n THR 66 N -4.75 0.00 -4.13 0.20 -1.04 -1.26 -5.11 114.28 98.19 2k6h n THR 66 Ca 0.23 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 62.13 2k6h n THR 66 Cb 0.60 0.40 -0.10 0.00 -1.82 0.00 0.00 70.33 69.40 2k6h n THR 66 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2k6h s SER 67 N -1.32 0.60 -0.02 8.00 0.01 -1.25 -5.09 113.70 114.63 2k6h s SER 67 Ca 0.00 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.19 2k6h s SER 67 Cb 0.00 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.45 2k6h s SER 67 CO 0.00 -0.62 -0.02 -0.44 0.41 0.00 0.00 173.24 172.57 2k6h s SER 68 N -3.00 0.48 -0.03 2.44 0.01 -1.26 -0.47 113.70 111.87 2k6h s SER 68 Ca 0.14 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.37 2k6h s SER 68 Cb 0.07 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2k6h s SER 68 CO -0.04 -0.03 -0.09 0.27 0.41 0.00 0.00 173.24 173.76 2k6h s ILE 69 N 0.52 0.77 -0.08 1.44 -4.36 -0.55 -4.38 121.20 114.55 2k6h s ILE 69 Ca -0.05 -0.35 -0.04 0.00 -0.26 0.00 0.00 60.65 59.95 2k6h s ILE 69 Cb -0.08 -0.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.90 2k6h s ILE 69 CO -0.01 0.24 0.10 -0.89 0.24 0.00 0.00 174.94 174.63 2k6h s THR 70 N 0.22 5.10 -0.02 8.37 2.01 -1.19 -1.17 115.64 128.96 2k6h s THR 70 Ca -0.04 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2k6h s THR 70 Cb -0.09 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 2k6h s THR 70 CO 0.00 0.54 -0.17 -1.48 -0.69 0.00 0.00 174.62 172.82 2k6h s LEU 71 N -1.22 2.02 -0.31 4.42 2.34 0.05 -1.07 118.68 124.89 2k6h s LEU 71 Ca 0.17 -0.32 -0.07 0.00 0.06 0.00 0.00 54.13 53.98 2k6h s LEU 71 Cb -0.12 -0.90 0.02 0.00 -0.56 0.00 0.00 46.19 44.63 2k6h s LEU 71 CO 0.07 0.20 0.09 0.00 -1.06 0.00 0.00 176.35 175.65 2k6h s ALA 72 N -0.35 3.05 -0.39 1.48 0.00 0.24 -2.03 121.76 123.76 2k6h s ALA 72 Ca 0.05 -1.59 -0.09 0.00 0.00 0.00 0.00 51.96 50.34 2k6h s ALA 72 Cb -0.07 -2.20 0.06 0.00 0.00 0.00 0.00 23.12 20.91 2k6h s ALA 72 CO -0.00 -1.11 0.21 0.42 0.00 0.00 0.00 175.76 175.28 2k6h s ILE 73 N 1.45 4.17 -0.08 0.00 -1.09 -0.15 -1.06 121.20 124.43 2k6h s ILE 73 Ca 0.01 -1.26 -0.30 0.00 -2.23 0.00 0.00 60.65 56.87 2k6h s ILE 73 Cb -0.18 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 2k6h s ILE 73 CO 0.02 -0.39 1.52 -0.60 -1.23 0.00 0.00 174.94 174.27 2k6h s ARG 74 N 1.44 4.20 0.48 2.79 3.52 -1.13 -1.47 118.95 128.78 2k6h s ARG 74 Ca 0.02 2.02 0.21 0.00 -0.13 0.00 0.00 55.73 57.85 2k6h s ARG 74 Cb -0.22 -3.89 1.24 0.00 -1.56 0.00 0.00 34.95 30.52 2k6h s ARG 74 CO 0.03 -0.79 1.96 0.00 -0.81 0.00 0.00 175.30 175.69 2k6h h MET 75 N 9.03 0.19 0.00 5.12 -0.00 -1.91 0.17 114.93 127.53 2k6h h MET 75 Ca -0.35 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.70 59.28 2k6h h MET 75 Cb 1.16 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.70 2k6h h MET 75 CO 0.96 0.13 -0.27 -0.44 -0.00 0.00 0.00 176.91 177.29 2k6h h ASP 76 N 0.20 0.00 0.00 -0.10 5.19 -1.89 -3.23 116.42 116.58 2k6h h ASP 76 Ca 0.31 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.72 2k6h h ASP 76 Cb 0.94 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 2k6h h ASP 76 CO -0.06 0.27 -1.15 0.59 -3.12 0.00 0.00 179.24 175.77 2k6h n ASN 77 N -3.46 4.26 -4.44 6.45 4.13 -0.78 -4.62 115.26 116.80 2k6h n ASN 77 Ca -0.00 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.87 2k6h n ASN 77 Cb 0.44 1.13 -0.08 0.00 -1.54 0.00 0.00 39.78 39.74 2k6h n ASN 77 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2k6h n LEU 78 N -1.63 -1.01 -4.66 3.41 4.77 0.51 -4.98 117.00 113.42 2k6h n LEU 78 Ca -0.01 -1.22 -0.31 0.00 -0.03 0.00 0.00 56.01 54.44 2k6h n LEU 78 Cb 0.10 -1.68 -0.09 0.00 -2.33 0.00 0.00 43.42 39.43 2k6h n LEU 78 CO 0.07 0.22 -0.35 -0.47 -1.33 0.00 0.00 177.39 175.53 2k6h s TYR 79 N -3.54 2.97 -0.95 -1.77 5.04 -1.25 -4.88 117.35 112.96 2k6h s TYR 79 Ca 0.61 -0.02 -0.24 0.00 -2.44 0.00 0.00 57.07 54.98 2k6h s TYR 79 Cb -0.35 -1.56 0.03 0.00 0.35 0.00 0.00 41.96 40.43 2k6h s TYR 79 CO 1.01 0.45 1.49 -1.17 -1.34 0.00 0.00 175.55 176.00 2k6h s LEU 80 N -2.02 3.40 0.17 6.97 0.20 -1.26 -2.85 118.68 123.30 2k6h s LEU 80 Ca 0.23 -1.15 0.01 0.00 0.69 0.00 0.00 54.13 53.91 2k6h s LEU 80 Cb -0.11 -2.57 0.03 0.00 -0.43 0.00 0.00 46.19 43.10 2k6h s LEU 80 CO 0.15 -1.73 1.40 -0.37 -0.29 0.00 0.00 176.35 175.50 2k6h h VAL 81 N 6.74 1.45 -2.67 1.68 -1.51 -1.49 -3.45 116.25 117.01 2k6h h VAL 81 Ca 0.10 -2.44 0.11 0.00 -1.23 0.00 0.00 66.70 63.24 2k6h h VAL 81 Cb 1.02 2.35 -0.02 0.00 -2.13 0.00 0.00 31.29 32.51 2k6h h VAL 81 CO 1.37 0.72 0.51 0.61 -1.23 0.00 0.00 177.57 179.55 2k6h n GLY 82 N 0.76 0.70 3.16 5.19 0.00 -1.23 -1.73 105.19 112.04 2k6h n GLY 82 Ca -0.04 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 2k6h n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k6h s PHE 83 N -2.15 0.22 -0.17 1.61 2.19 0.02 -0.59 117.98 119.12 2k6h s PHE 83 Ca 0.21 -0.62 0.01 0.00 0.33 0.00 0.00 56.93 56.85 2k6h s PHE 83 Cb -0.03 -0.14 0.03 0.00 -1.31 0.00 0.00 43.02 41.57 2k6h s PHE 83 CO 0.07 -0.46 -0.13 0.50 1.83 0.00 0.00 175.22 177.03 2k6h s ARG 84 N -3.44 2.24 0.36 10.12 3.52 -0.23 -0.99 118.95 130.53 2k6h s ARG 84 Ca 0.02 -0.66 -0.26 0.00 -0.13 0.00 0.00 55.73 54.70 2k6h s ARG 84 Cb 0.03 -2.23 -0.09 0.00 -1.56 0.00 0.00 34.95 31.11 2k6h s ARG 84 CO -0.09 -0.30 1.10 0.99 -0.81 0.00 0.00 175.30 176.20 2k6h s THR 85 N 1.45 3.49 -0.61 4.11 2.01 -0.38 -3.20 115.64 122.51 2k6h s THR 85 Ca 0.03 1.28 0.16 0.00 0.31 0.00 0.00 61.69 63.47 2k6h s THR 85 Cb -0.14 -3.73 0.16 0.00 0.01 0.00 0.00 72.50 68.80 2k6h s THR 85 CO -0.10 0.14 1.49 -0.81 -0.69 0.00 0.00 174.62 174.65 2k6h n PRO 86 N 0.36 0.10 0.00 4.92 -0.04 -1.26 -1.43 135.00 137.64 2k6h n PRO 86 Ca 0.03 0.47 0.05 0.00 -0.04 0.00 0.00 63.50 64.01 2k6h n PRO 86 Cb 0.47 -1.74 0.27 0.00 -0.04 0.00 0.00 33.50 32.46 2k6h n PRO 86 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6h n GLY 87 N -0.72 -0.63 0.76 0.55 0.00 -1.26 -4.88 105.19 99.02 2k6h n GLY 87 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2k6h n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6h n GLY 88 N -0.39 0.77 3.60 -0.02 0.00 -0.52 -5.09 105.19 103.55 2k6h n GLY 88 Ca 0.05 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2k6h n GLY 88 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k6h s VAL 89 N -2.00 3.12 0.27 1.61 -7.23 -1.24 -5.01 120.40 109.91 2k6h s VAL 89 Ca 0.00 -2.03 0.10 0.00 -1.81 0.00 0.00 61.98 58.24 2k6h s VAL 89 Cb 0.00 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2k6h s VAL 89 CO 0.00 -0.36 -0.07 0.26 -0.31 0.00 0.00 175.10 174.63 2k6h s TRP 90 N -2.39 2.58 0.14 2.82 0.51 -1.26 -1.25 118.94 120.08 2k6h s TRP 90 Ca 0.32 -0.25 0.04 0.00 -2.12 0.00 0.00 56.10 54.09 2k6h s TRP 90 Cb -0.05 -1.14 -0.04 0.00 -0.81 0.00 0.00 33.47 31.42 2k6h s TRP 90 CO 0.19 0.64 -0.10 -1.58 -0.51 0.00 0.00 176.95 175.59 2k6h s TRP 91 N -2.34 1.24 0.01 -1.98 0.52 -0.16 -0.69 118.94 115.54 2k6h s TRP 91 Ca 0.31 -0.74 -0.01 0.00 0.02 0.00 0.00 56.10 55.68 2k6h s TRP 91 Cb -0.06 -0.64 -0.01 0.00 -1.15 0.00 0.00 33.47 31.61 2k6h s TRP 91 CO 0.18 0.07 -0.00 -2.00 0.02 0.00 0.00 176.95 175.22 2k6h s GLU 92 N -3.59 0.22 0.08 4.98 2.12 -0.24 -0.80 118.70 121.47 2k6h s GLU 92 Ca 0.15 -0.37 -0.31 0.00 0.36 0.00 0.00 54.97 54.80 2k6h s GLU 92 Cb 0.02 0.08 -0.08 0.00 0.26 0.00 0.00 34.13 34.41 2k6h s GLU 92 CO 0.01 -0.04 1.45 -0.06 -0.54 0.00 0.00 175.26 176.08 2k6h s PHE 93 N -0.93 3.00 -4.46 5.30 0.40 -0.71 -0.83 117.98 119.75 2k6h s PHE 93 Ca -0.10 0.79 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 2k6h s PHE 93 Cb -0.06 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.72 2k6h s PHE 93 CO -0.00 -2.74 0.00 0.41 0.70 0.00 0.00 175.22 173.59 2k6h n GLY 94 N 3.64 1.00 3.08 4.36 0.00 -1.20 -4.90 105.19 111.16 2k6h n GLY 94 Ca 0.13 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 2k6h n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k6h s LYS 95 N -1.14 0.23 -1.65 1.61 2.20 -1.26 -0.71 119.74 119.03 2k6h s LYS 95 Ca 0.00 0.31 -0.16 0.00 -0.36 0.00 0.00 55.97 55.76 2k6h s LYS 95 Cb 0.00 0.09 0.13 0.00 -1.51 0.00 0.00 37.83 36.54 2k6h s LYS 95 CO 0.00 -0.04 0.79 -3.47 -0.36 0.00 0.00 175.35 172.27 2k6h n ASP 96 N 3.11 -3.33 -2.88 1.43 2.03 -1.26 -4.89 116.55 110.77 2k6h n ASP 96 Ca -0.14 -0.97 0.02 0.00 0.52 0.00 0.00 54.79 54.22 2k6h n ASP 96 Cb 0.58 -3.00 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 2k6h n ASP 96 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2k6h s GLY 97 N -3.39 -1.44 0.43 0.27 0.00 -1.26 -5.17 107.32 96.75 2k6h s GLY 97 Ca 0.66 1.18 0.05 0.00 0.00 0.00 0.00 44.72 46.61 2k6h s GLY 97 CO 0.91 4.18 0.60 0.51 0.00 0.00 0.00 173.10 179.29 2k6h s ASP 98 N 2.05 5.69 -0.00 1.64 -4.77 -1.26 -4.80 116.67 115.22 2k6h s ASP 98 Ca 0.16 -0.15 0.03 0.00 -3.30 0.00 0.00 52.55 49.29 2k6h s ASP 98 Cb 0.01 -1.00 -0.01 0.00 -1.09 0.00 0.00 42.92 40.83 2k6h s ASP 98 CO -0.15 -0.74 -0.10 -0.89 0.70 0.00 0.00 175.17 173.99 2k6h s THR 99 N -2.42 0.79 -0.85 2.11 2.01 -1.26 -5.04 115.64 110.97 2k6h s THR 99 Ca 0.52 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2k6h s THR 99 Cb -0.10 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2k6h s THR 99 CO 0.34 0.18 0.40 0.00 -0.69 0.00 0.00 174.62 174.86 2k6h n HIS 100 N 2.71 0.00 -0.02 4.92 1.44 -1.26 -3.75 115.22 119.26 2k6h n HIS 100 Ca -0.14 -0.05 -0.16 0.00 -2.01 0.00 0.00 57.72 55.35 2k6h n HIS 100 Cb 0.56 -0.09 -0.09 0.00 0.12 0.00 0.00 29.99 30.49 2k6h n HIS 100 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2k6h h LEU 101 N 0.45 0.53 -1.38 2.39 7.12 -1.90 -3.30 115.31 119.22 2k6h h LEU 101 Ca 0.00 -0.68 0.00 0.00 0.13 0.00 0.00 57.88 57.33 2k6h h LEU 101 Cb 0.40 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 2k6h h LEU 101 CO 0.00 1.13 0.00 0.18 -0.13 0.00 0.00 178.44 179.62 2k6h n LEU 102 N -4.28 1.16 0.00 2.25 7.99 -1.25 -4.63 117.00 118.24 2k6h n LEU 102 Ca -0.09 -0.58 0.00 0.00 -0.01 0.00 0.00 56.01 55.33 2k6h n LEU 102 Cb 0.59 -0.33 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 2k6h n LEU 102 CO 0.45 0.23 0.00 0.61 -1.51 0.00 0.00 177.39 177.17 2k6h n GLY 103 N 0.36 1.01 3.69 -0.72 0.00 -1.24 -4.85 105.19 103.43 2k6h n GLY 103 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 2k6h n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k6h s ASP 104 N -4.00 3.21 -0.14 1.61 2.15 -1.26 -4.55 116.67 113.69 2k6h s ASP 104 Ca 0.00 2.17 -0.34 0.00 0.43 0.00 0.00 52.55 54.81 2k6h s ASP 104 Cb 0.00 -2.57 -0.11 0.00 -0.30 0.00 0.00 42.92 39.94 2k6h s ASP 104 CO 0.00 -2.91 1.94 -0.46 -0.17 0.00 0.00 175.17 173.57 2k6h n ASN 105 N -4.01 3.25 -4.75 -0.34 6.94 -1.26 -4.92 115.26 110.18 2k6h n ASN 105 Ca 0.12 0.86 -0.30 0.00 -0.02 0.00 0.00 54.58 55.24 2k6h n ASN 105 Cb 0.52 -1.36 0.12 0.00 -2.36 0.00 0.00 39.78 36.70 2k6h n ASN 105 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2k6h s PRO 106 N 4.47 1.51 0.93 -0.53 0.04 -1.26 -4.87 135.00 135.28 2k6h s PRO 106 Ca 0.96 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 2k6h s PRO 106 Cb -0.70 -1.85 0.15 0.00 0.04 0.00 0.00 34.50 32.14 2k6h s PRO 106 CO 0.51 -2.03 1.14 1.03 0.04 0.00 0.00 177.00 177.69 2k6h s ARG 107 N -5.04 1.02 -0.12 4.56 0.52 0.14 -4.84 118.95 115.19 2k6h s ARG 107 Ca 0.63 0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 56.10 2k6h s ARG 107 Cb -0.16 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 2k6h s ARG 107 CO 0.56 -2.28 -0.07 -1.58 0.02 0.00 0.00 175.30 171.95 2k6h s TRP 108 N -3.27 2.94 -0.27 -0.53 0.51 -1.26 -1.07 118.94 115.98 2k6h s TRP 108 Ca 0.64 -0.30 0.28 0.00 -2.12 0.00 0.00 56.10 54.60 2k6h s TRP 108 Cb -0.15 -1.85 1.08 0.00 -0.81 0.00 0.00 33.47 31.74 2k6h s TRP 108 CO 0.54 0.02 1.82 -0.07 -0.51 0.00 0.00 176.95 178.75 2k6h h LEU 109 N 6.28 0.00 0.00 2.99 3.38 -0.91 -3.47 115.31 123.58 2k6h h LEU 109 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2k6h h LEU 109 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k6h h LEU 109 CO 0.58 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.72 2k6h n GLY 110 N 0.20 2.61 3.34 0.83 0.00 0.11 -4.95 105.19 107.33 2k6h n GLY 110 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2k6h n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k6h s PHE 111 N -2.14 1.63 0.00 1.61 0.08 -1.26 -4.72 117.98 113.18 2k6h s PHE 111 Ca 0.00 -1.41 0.00 0.00 0.12 0.00 0.00 56.93 55.64 2k6h s PHE 111 Cb 0.00 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.60 2k6h s PHE 111 CO 0.00 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 174.96 2k6h n GLY 112 N -0.61 0.84 2.28 4.36 0.00 -1.26 -3.28 105.19 107.52 2k6h n GLY 112 Ca 0.01 -1.58 -0.20 0.00 0.00 0.00 0.00 46.02 44.25 2k6h n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6h n GLY 113 N 5.00 3.80 3.55 -0.02 0.00 -1.26 -4.94 105.19 111.32 2k6h n GLY 113 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 2k6h n GLY 113 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k6h s ARG 114 N -2.46 1.69 0.51 1.61 3.03 -1.26 -5.05 118.95 117.02 2k6h s ARG 114 Ca 0.41 -1.45 0.18 0.00 2.03 0.00 0.00 55.73 56.89 2k6h s ARG 114 Cb 0.33 0.46 1.26 0.00 -1.03 0.00 0.00 34.95 35.97 2k6h s ARG 114 CO -0.09 -0.70 2.10 0.10 -1.13 0.00 0.00 175.30 175.58 2k6h h TYR 115 N 2.21 0.05 -0.01 5.89 -0.00 -1.97 -1.26 116.97 121.88 2k6h h TYR 115 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 2k6h h TYR 115 Cb 1.25 -0.02 -0.00 0.00 0.00 0.00 0.00 36.73 37.96 2k6h h TYR 115 CO 0.80 0.03 0.01 1.96 -0.00 0.00 0.00 178.16 180.96 2k6h h GLN 116 N 0.05 0.00 -0.00 0.10 4.20 -1.91 -0.90 115.11 116.65 2k6h h GLN 116 Ca 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2k6h h GLN 116 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2k6h h GLN 116 CO -0.01 0.00 -0.01 -0.44 -0.67 0.00 0.00 178.83 177.71 2k6h h ASP 117 N 0.00 0.01 0.00 1.46 3.32 -1.62 -3.33 116.42 116.26 2k6h h ASP 117 Ca 0.01 -0.59 -0.00 0.00 0.02 0.00 0.00 57.03 56.47 2k6h h ASP 117 Cb 0.03 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2k6h h ASP 117 CO -0.00 0.60 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.04 2k6h h LEU 118 N -0.58 -0.00 0.00 1.55 3.38 -1.48 -3.44 115.31 114.73 2k6h h LEU 118 Ca -0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2k6h h LEU 118 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2k6h h LEU 118 CO 0.00 0.93 -0.44 2.30 0.09 0.00 0.00 178.44 181.32 2k6h n ILE 119 N -4.64 0.00 0.00 1.22 -0.00 -0.44 -5.07 119.36 110.43 2k6h n ILE 119 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 2k6h n ILE 119 Cb 0.43 -0.38 0.00 0.00 -0.00 0.00 0.00 39.64 39.70 2k6h n ILE 119 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k6h n GLY 120 N 1.80 1.60 0.09 3.28 0.00 -0.65 -4.20 105.19 107.11 2k6h n GLY 120 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2k6h n GLY 120 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k6h h ASN 121 N 0.00 -0.08 -4.14 1.61 4.21 -1.94 -3.44 115.58 111.80 2k6h h ASN 121 Ca 0.00 -0.53 -0.49 0.00 1.21 0.00 0.00 56.30 56.49 2k6h h ASN 121 Cb 0.00 0.02 0.14 0.00 -1.12 0.00 0.00 38.32 37.36 2k6h h ASN 121 CO 0.00 0.55 0.27 -0.75 -1.29 0.00 0.00 177.43 176.21 2k6h s LYS 122 N -3.39 1.53 0.61 0.81 2.47 -1.26 -5.07 119.74 115.44 2k6h s LYS 122 Ca -0.15 0.91 -0.03 0.00 -1.56 0.00 0.00 55.97 55.15 2k6h s LYS 122 Cb 0.00 -1.83 0.04 0.00 -1.46 0.00 0.00 37.83 34.58 2k6h s LYS 122 CO 0.58 -2.08 0.87 0.20 0.16 0.00 0.00 175.35 175.08 2k6h s GLY 123 N -3.42 1.74 0.15 5.54 0.00 -1.26 -4.83 107.32 105.23 2k6h s GLY 123 Ca 0.63 -1.10 0.25 0.00 0.00 0.00 0.00 44.72 44.50 2k6h s GLY 123 CO 0.57 -0.77 1.77 1.47 0.00 0.00 0.00 173.10 176.13 2k6h n LEU 124 N -2.58 0.52 0.23 0.66 -0.00 -1.26 -4.36 117.00 110.22 2k6h n LEU 124 Ca 0.07 0.57 0.16 0.00 -0.00 0.00 0.00 56.01 56.81 2k6h n LEU 124 Cb 0.60 -0.43 0.67 0.00 -0.00 0.00 0.00 43.42 44.25 2k6h n LEU 124 CO 0.49 -0.23 0.96 1.05 -0.00 0.00 0.00 177.39 179.66 2k6h h GLU 125 N 0.00 0.00 0.00 1.47 -0.00 -1.90 -2.25 114.58 111.90 2k6h h GLU 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2k6h h GLU 125 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 2k6h h GLU 125 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 179.01 180.80 2k6h h THR 126 N 0.00 0.00 -2.82 -1.06 1.35 -1.85 -3.27 112.91 105.25 2k6h h THR 126 Ca 0.00 -0.22 -0.54 0.00 -0.55 0.00 0.00 66.41 65.10 2k6h h THR 126 Cb 0.39 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2k6h h THR 126 CO 0.00 0.00 0.91 0.68 -0.25 0.00 0.00 175.52 176.86 2k6h s VAL 127 N -3.59 3.59 0.41 6.82 -7.23 -0.85 -4.98 120.40 114.57 2k6h s VAL 127 Ca 0.01 0.94 -0.25 0.00 -1.81 0.00 0.00 61.98 60.86 2k6h s VAL 127 Cb 0.09 -3.61 -0.08 0.00 0.56 0.00 0.00 36.38 33.34 2k6h s VAL 127 CO 0.39 -0.02 1.22 -0.89 -0.31 0.00 0.00 175.10 175.50 2k6h s THR 128 N 2.74 2.92 -0.04 5.32 2.01 -1.26 -4.39 115.64 122.93 2k6h s THR 128 Ca 0.67 0.79 0.05 0.00 0.31 0.00 0.00 61.69 63.51 2k6h s THR 128 Cb -0.33 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2k6h s THR 128 CO 0.27 0.08 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.05 2k6h s MET 129 N -2.31 2.41 0.00 4.92 -1.94 0.15 -4.94 119.30 117.60 2k6h s MET 129 Ca 0.58 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 2k6h s MET 129 Cb -0.34 -2.24 0.00 0.00 2.01 0.00 0.00 34.83 34.27 2k6h s MET 129 CO 0.42 0.55 0.00 0.41 -0.01 0.00 0.00 175.02 176.39 2k6h n GLY 130 N 2.50 0.19 0.27 -0.03 0.00 -1.26 -0.69 105.19 106.17 2k6h n GLY 130 Ca -0.17 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 44.91 2k6h n GLY 130 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k6h h ARG 131 N 0.00 0.58 -0.11 1.61 0.11 -1.72 -0.73 114.38 114.12 2k6h h ARG 131 Ca 0.00 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 2k6h h ARG 131 Cb 0.00 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 30.94 2k6h h ARG 131 CO 0.00 0.38 0.04 0.00 0.10 0.00 0.00 179.97 180.49 2k6h h ALA 132 N 1.45 0.14 -0.06 0.08 0.00 -1.90 -0.90 119.26 118.07 2k6h h ALA 132 Ca 0.36 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2k6h h ALA 132 Cb 0.40 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k6h h ALA 132 CO -0.28 -0.25 -0.49 0.93 0.00 0.00 0.00 179.25 179.15 2k6h h GLU 133 N -0.01 0.16 0.34 0.00 4.39 -1.82 0.84 114.58 118.49 2k6h h GLU 133 Ca 0.03 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2k6h h GLU 133 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2k6h h GLU 133 CO -0.00 0.62 -0.17 0.52 -1.16 0.00 0.00 179.01 178.82 2k6h h MET 134 N 0.13 -0.45 -0.19 2.33 2.86 -0.94 0.21 114.93 118.88 2k6h h MET 134 Ca 0.00 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2k6h h MET 134 Cb 0.92 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 2k6h h MET 134 CO 0.07 -0.19 -0.05 1.15 1.06 0.00 0.00 176.91 178.95 2k6h h THR 135 N -0.65 0.80 -0.32 2.22 2.02 -0.91 0.30 112.91 116.37 2k6h h THR 135 Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.20 2k6h h THR 135 Cb 0.47 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 2k6h h THR 135 CO 0.08 0.00 -0.14 0.03 0.37 0.00 0.00 175.52 175.86 2k6h h ARG 136 N -0.01 -0.08 -0.32 6.66 3.08 -0.86 -0.21 114.38 122.64 2k6h h ARG 136 Ca 0.09 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.17 2k6h h ARG 136 Cb 0.15 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2k6h h ARG 136 CO -0.20 -0.05 0.14 0.00 -1.07 0.00 0.00 179.97 178.79 2k6h h ALA 137 N 1.18 0.38 -0.50 0.04 0.00 -0.12 0.11 119.26 120.34 2k6h h ALA 137 Ca 0.16 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2k6h h ALA 137 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2k6h h ALA 137 CO -0.37 -0.24 0.33 0.28 0.00 0.00 0.00 179.25 179.24 2k6h h VAL 138 N 0.30 1.11 -0.10 0.00 2.07 -0.46 -0.46 116.25 118.71 2k6h h VAL 138 Ca 0.13 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2k6h h VAL 138 Cb 0.07 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2k6h h VAL 138 CO -0.11 0.12 0.02 0.78 0.02 0.00 0.00 177.57 178.40 2k6h h ASN 139 N 0.66 0.00 0.44 0.57 -0.26 -0.52 0.26 115.58 116.74 2k6h h ASN 139 Ca 0.19 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 2k6h h ASN 139 Cb -0.06 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 2k6h h ASN 139 CO -0.05 0.02 -0.19 -0.78 -1.06 0.00 0.00 177.43 175.37 2k6h h ASP 140 N 0.06 0.00 0.43 5.81 3.58 -0.35 -0.82 116.42 125.14 2k6h h ASP 140 Ca 0.05 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.19 2k6h h ASP 140 Cb 0.04 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2k6h h ASP 140 CO -0.06 0.19 -1.59 -0.07 -2.88 0.00 0.00 179.24 174.83 2k6h h LEU 141 N 0.00 0.34 -0.88 2.28 3.38 -0.91 -3.37 115.31 116.16 2k6h h LEU 141 Ca -0.00 -0.51 -0.10 0.00 0.09 0.00 0.00 57.88 57.35 2k6h h LEU 141 Cb 0.46 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2k6h h LEU 141 CO 0.02 1.43 -0.28 0.00 0.09 0.00 0.00 178.44 179.70 2k6h h ALA 142 N 0.51 1.04 0.00 1.53 0.00 -0.08 -2.82 119.26 119.45 2k6h h ALA 142 Ca -0.26 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2k6h h ALA 142 Cb 2.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2k6h h ALA 142 CO 0.14 0.58 0.00 0.36 0.00 0.00 0.00 179.25 180.33 2k6h n LYS 143 N -4.10 0.09 -1.46 0.00 2.85 -0.39 -4.61 118.16 110.53 2k6h n LYS 143 Ca -0.01 0.22 -0.34 0.00 -1.05 0.00 0.00 58.31 57.14 2k6h n LYS 143 Cb 0.43 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.40 2k6h n LYS 143 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2k6h s LYS 144 N -2.80 2.23 0.24 -1.58 1.02 -1.07 -5.07 119.74 112.71 2k6h s LYS 144 Ca 0.09 1.64 0.05 0.00 0.02 0.00 0.00 55.97 57.78 2k6h s LYS 144 Cb 0.09 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 2k6h s LYS 144 CO 0.22 -1.74 0.18 1.63 -0.92 0.00 0.00 175.35 174.71 2k6h n LYS 145 N -2.76 0.36 -0.16 1.68 5.02 -1.26 -4.83 118.16 116.21 2k6h n LYS 145 Ca 0.12 -2.31 0.21 0.00 -2.02 0.00 0.00 58.31 54.32 2k6h n LYS 145 Cb 0.51 1.78 0.61 0.00 -0.02 0.00 0.00 35.03 37.90 2k6h n LYS 145 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2k6h h LYS 146 N 0.00 0.20 -5.82 1.97 2.10 -2.02 -3.38 116.57 109.61 2k6h h LYS 146 Ca -0.17 -0.01 -0.57 0.00 -2.00 0.00 0.00 60.65 57.90 2k6h h LYS 146 Cb 0.83 -0.04 -0.29 0.00 -0.90 0.00 0.00 32.23 31.82 2k6h h LYS 146 CO 0.26 0.13 -0.84 -1.64 -2.00 0.00 0.00 179.45 175.36 2k6h s MET 147 N -5.21 1.50 -0.05 0.07 -1.94 -1.26 -5.15 119.30 107.25 2k6h s MET 147 Ca -0.07 -0.70 -0.27 0.00 -1.71 0.00 0.00 55.69 52.95 2k6h s MET 147 Cb 0.21 -1.46 0.06 0.00 2.01 0.00 0.00 34.83 35.65 2k6h s MET 147 CO 0.77 0.40 0.60 -1.17 -0.01 0.00 0.00 175.02 175.61 2k6h s LEU 148 N -0.52 -0.34 -0.11 -0.03 2.96 -1.26 -5.04 118.68 114.33 2k6h s LEU 148 Ca 0.07 0.62 -0.23 0.00 -0.22 0.00 0.00 54.13 54.37 2k6h s LEU 148 Cb -0.07 2.26 -0.20 0.00 0.50 0.00 0.00 46.19 48.67 2k6h s LEU 148 CO -0.00 -0.55 0.70 -0.33 -1.32 0.00 0.00 176.35 174.84 2k6h h GLU 149 N 3.30 -0.02 -3.16 1.98 4.39 -2.01 -3.38 114.58 115.67 2k6h h GLU 149 Ca -0.28 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.91 2k6h h GLU 149 Cb 1.15 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.82 2k6h h GLU 149 CO 0.38 0.72 3.12 -2.30 -1.16 0.00 0.00 179.01 179.76 2k6h n PRO 150 N -4.69 2.89 0.04 2.33 -0.02 -1.26 -4.70 135.00 129.58 2k6h n PRO 150 Ca -0.08 -1.80 -0.11 0.00 -2.02 0.00 0.00 63.50 59.49 2k6h n PRO 150 Cb 0.36 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 2k6h n PRO 150 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2k6h h GLN 151 N 5.52 -0.19 -0.23 -0.52 -0.00 -2.00 -0.85 115.11 116.84 2k6h h GLN 151 Ca 0.67 0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 59.28 2k6h h GLN 151 Cb 0.27 0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.78 2k6h h GLN 151 CO 1.56 -0.12 -0.10 0.00 -0.00 0.00 0.00 178.83 180.17 2k6h h ALA 152 N 0.80 1.41 0.02 0.06 0.00 -1.98 -0.85 119.26 118.71 2k6h h ALA 152 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k6h h ALA 152 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k6h h ALA 152 CO -0.15 0.41 -0.01 -0.44 0.00 0.00 0.00 179.25 179.07 2k6h h ASP 153 N 0.35 -0.02 -0.66 0.00 5.19 -1.86 -0.67 116.42 118.75 2k6h h ASP 153 Ca 0.07 -0.54 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2k6h h ASP 153 Cb 0.39 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 2k6h h ASP 153 CO 0.02 0.54 0.42 0.71 -3.12 0.00 0.00 179.24 177.81 2k6h h THR 154 N -0.58 1.18 -0.20 0.35 1.35 -1.04 -1.99 112.91 111.98 2k6h h THR 154 Ca -0.00 -0.37 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2k6h h THR 154 Cb 0.56 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 2k6h h THR 154 CO 0.00 0.18 0.12 0.50 -0.25 0.00 0.00 175.52 176.08 2k6h h LYS 155 N 0.91 0.27 -0.74 4.72 1.63 -1.05 -1.64 116.57 120.68 2k6h h LYS 155 Ca 0.24 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 2k6h h LYS 155 Cb -0.06 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 2k6h h LYS 155 CO -0.05 0.23 0.34 0.66 -3.45 0.00 0.00 179.45 177.18 2k6h h SER 156 N 0.24 0.97 -0.32 4.20 4.64 -0.54 -1.35 113.55 121.39 2k6h h SER 156 Ca 0.07 -0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2k6h h SER 156 Cb 0.03 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.83 2k6h h SER 156 CO -0.01 0.83 0.10 0.11 -0.87 0.00 0.00 176.83 176.99 2k6h h LYS 157 N 1.05 0.23 0.00 4.77 1.79 -1.15 -2.13 116.57 121.13 2k6h h LYS 157 Ca 0.25 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.64 2k6h h LYS 157 Cb 0.13 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2k6h h LYS 157 CO -0.03 0.15 -0.33 1.37 -1.08 0.00 0.00 179.45 179.53 2k6h h LEU 158 N 0.24 0.00 -0.51 2.94 8.10 -0.80 -2.59 115.31 122.69 2k6h h LEU 158 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.13 2k6h h LEU 158 Cb 0.13 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.32 2k6h h LEU 158 CO -0.16 0.33 0.28 0.58 -4.11 0.00 0.00 178.44 175.36 2k6h h VAL 159 N 0.00 1.17 -0.57 0.15 2.07 -0.62 -0.27 116.25 118.18 2k6h h VAL 159 Ca -0.00 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 2k6h h VAL 159 Cb 0.70 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2k6h h VAL 159 CO 0.04 0.19 0.01 0.07 0.02 0.00 0.00 177.57 177.90 2k6h h LYS 160 N 0.68 0.98 -0.32 1.57 2.10 -1.20 -2.11 116.57 118.26 2k6h h LYS 160 Ca 0.18 -0.29 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 2k6h h LYS 160 Cb 0.05 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.26 2k6h h LYS 160 CO -0.03 0.95 0.18 -0.07 -2.00 0.00 0.00 179.45 178.48 2k6h h LEU 161 N 0.90 0.40 -0.61 7.07 3.38 -1.08 -0.90 115.31 124.47 2k6h h LEU 161 Ca 0.17 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2k6h h LEU 161 Cb 0.51 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2k6h h LEU 161 CO 0.02 0.37 0.21 1.62 0.09 0.00 0.00 178.44 180.75 2k6h h VAL 162 N 0.40 1.24 -0.37 1.22 3.04 -0.93 0.86 116.25 121.71 2k6h h VAL 162 Ca 0.11 -0.80 -0.08 0.00 -1.01 0.00 0.00 66.70 64.92 2k6h h VAL 162 Cb 0.06 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 29.93 2k6h h VAL 162 CO -0.02 0.31 -0.12 1.62 -1.01 0.00 0.00 177.57 178.35 2k6h h VAL 163 N 0.86 1.25 0.18 1.51 3.04 -1.16 -0.50 116.25 121.44 2k6h h VAL 163 Ca 0.20 -1.12 -0.01 0.00 -1.01 0.00 0.00 66.70 64.76 2k6h h VAL 163 Cb 0.27 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2k6h h VAL 163 CO -0.01 0.38 -0.09 0.24 -1.01 0.00 0.00 177.57 177.08 2k6h h MET 164 N 0.60 -0.24 0.00 4.17 2.07 -0.88 -3.28 114.93 117.37 2k6h h MET 164 Ca 0.11 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 2k6h h MET 164 Cb 0.56 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 2k6h h MET 164 CO 0.03 0.17 -0.01 0.28 1.07 0.00 0.00 176.91 178.45 2k6h h VAL 165 N -0.87 0.00 0.01 -2.22 2.07 -0.81 -3.22 116.25 111.22 2k6h h VAL 165 Ca -0.03 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2k6h h VAL 165 Cb 0.52 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2k6h h VAL 165 CO 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.63 2k6h h GLU 167 N -0.49 0.43 -1.00 0.00 4.39 -1.41 -1.89 114.58 114.61 2k6h h GLU 167 Ca -0.00 -0.10 0.21 0.00 0.34 0.00 0.00 59.36 59.82 2k6h h GLU 167 Cb 0.48 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.97 2k6h h GLU 167 CO 0.00 0.50 0.62 0.78 -1.16 0.00 0.00 179.01 179.75 2k6h h GLY 168 N 0.81 1.56 1.79 -3.84 0.00 -1.48 0.27 103.07 102.17 2k6h h GLY 168 Ca 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 2k6h h GLY 168 CO 0.02 -0.09 -0.18 -2.00 0.00 0.00 0.00 176.54 174.28 2k6h h LEU 169 N 0.61 0.25 0.00 3.11 5.85 -1.03 -2.89 115.31 121.21 2k6h h LEU 169 Ca 0.58 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.23 2k6h h LEU 169 Cb 1.10 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2k6h h LEU 169 CO -0.35 0.45 -1.10 0.54 -0.34 0.00 0.00 178.44 177.65 2k6h n ARG 170 N -4.22 0.40 -3.71 1.25 1.74 0.00 -4.60 116.66 107.52 2k6h n ARG 170 Ca -0.01 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2k6h n ARG 170 Cb 0.31 -1.64 -0.15 0.00 -1.02 0.00 0.00 32.46 29.95 2k6h n ARG 170 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2k6h s PHE 171 N -3.27 1.40 0.43 -1.55 0.08 0.74 -0.22 117.98 115.60 2k6h s PHE 171 Ca 0.02 -1.44 0.16 0.00 0.12 0.00 0.00 56.93 55.78 2k6h s PHE 171 Cb 0.13 -1.46 1.06 0.00 -0.57 0.00 0.00 43.02 42.18 2k6h s PHE 171 CO 0.80 -0.82 1.94 -0.91 -0.10 0.00 0.00 175.22 176.14 2k6h h ASN 172 N 8.16 0.37 0.43 1.36 2.35 -1.22 -1.52 115.58 125.50 2k6h h ASN 172 Ca -0.15 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2k6h h ASN 172 Cb 1.04 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2k6h h ASN 172 CO 0.44 0.20 -0.32 0.00 -1.65 0.00 0.00 177.43 176.09 2k6h h THR 173 N 0.39 0.33 -0.03 2.81 1.03 -1.37 0.37 112.91 116.45 2k6h h THR 173 Ca 0.34 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.61 2k6h h THR 173 Cb 0.78 0.33 -0.02 0.00 -1.07 0.00 0.00 68.15 68.18 2k6h h THR 173 CO -0.10 0.00 -0.58 1.62 -0.01 0.00 0.00 175.52 176.45 2k6h h VAL 174 N -0.74 1.40 0.30 0.00 3.04 -1.76 -1.28 116.25 117.20 2k6h h VAL 174 Ca -0.04 -1.97 0.00 0.00 -1.01 0.00 0.00 66.70 63.68 2k6h h VAL 174 Cb 0.63 2.04 -0.04 0.00 -2.01 0.00 0.00 31.29 31.91 2k6h h VAL 174 CO 0.00 0.57 -0.51 -1.28 -1.01 0.00 0.00 177.57 175.34 2k6h h SER 175 N 0.07 -1.47 0.24 3.17 0.87 -1.07 0.13 113.55 115.50 2k6h h SER 175 Ca -0.00 0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2k6h h SER 175 Cb 1.05 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 2k6h h SER 175 CO 0.08 -0.60 -0.30 0.08 -0.53 0.00 0.00 176.83 175.56 2k6h h ARG 176 N -0.86 0.09 0.30 2.24 0.11 -0.71 0.21 114.38 115.77 2k6h h ARG 176 Ca -0.03 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2k6h h ARG 176 Cb 0.81 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.88 2k6h h ARG 176 CO -0.18 0.38 -0.16 1.15 0.10 0.00 0.00 179.97 181.26 2k6h h THR 177 N 0.08 0.67 -0.34 0.08 2.02 -0.96 -2.19 112.91 112.27 2k6h h THR 177 Ca 0.01 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 2k6h h THR 177 Cb 0.57 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2k6h h THR 177 CO 0.04 0.00 -0.13 0.58 0.37 0.00 0.00 175.52 176.38 2k6h h VAL 178 N -0.43 1.24 -0.15 3.16 2.07 -0.43 -1.73 116.25 119.99 2k6h h VAL 178 Ca -0.04 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.40 2k6h h VAL 178 Cb 0.34 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2k6h h VAL 178 CO 0.06 0.36 0.05 -0.78 0.02 0.00 0.00 177.57 177.29 2k6h h ASP 179 N 0.54 0.07 0.25 0.57 3.58 -0.36 0.31 116.42 121.37 2k6h h ASP 179 Ca 0.10 0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 2k6h h ASP 179 Cb 0.54 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2k6h h ASP 179 CO 0.03 0.06 -0.45 0.00 -2.88 0.00 0.00 179.24 176.00 2k6h h ALA 180 N 1.09 1.03 0.09 -0.78 0.00 -1.33 -3.36 119.26 116.00 2k6h h ALA 180 Ca 0.06 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.19 2k6h h ALA 180 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2k6h h ALA 180 CO -0.06 0.63 -1.84 0.78 0.00 0.00 0.00 179.25 178.76 2k6h h GLY 181 N 1.27 0.23 0.94 0.00 0.00 -0.64 -3.35 103.07 101.51 2k6h h GLY 181 Ca 0.01 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.78 2k6h h GLY 181 CO 0.07 0.51 0.29 -2.75 0.00 0.00 0.00 176.54 174.66 2k6h h PHE 182 N 0.05 0.54 0.00 5.60 3.57 -0.56 -2.01 116.94 124.14 2k6h h PHE 182 Ca -0.35 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2k6h h PHE 182 Cb 2.03 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.59 2k6h h PHE 182 CO 0.06 0.32 0.00 -0.97 -2.23 0.00 0.00 178.31 175.49 2k6h h ASN 183 N 0.58 0.00 -4.23 0.41 -1.24 -1.75 -2.77 115.58 106.58 2k6h h ASN 183 Ca 0.18 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.68 2k6h h ASN 183 Cb -0.02 0.00 0.11 0.00 0.73 0.00 0.00 38.32 39.14 2k6h h ASN 183 CO -0.07 0.00 0.36 -0.55 -1.29 0.00 0.00 177.43 175.88 2k6h s SER 184 N -5.16 4.90 0.09 1.15 0.15 -0.75 -4.98 113.70 109.09 2k6h s SER 184 Ca 0.04 1.97 -0.04 0.00 0.70 0.00 0.00 55.95 58.62 2k6h s SER 184 Cb 0.09 -2.55 -0.25 0.00 -1.71 0.00 0.00 66.02 61.60 2k6h s SER 184 CO 0.51 -1.77 1.17 0.06 1.20 0.00 0.00 173.24 174.42 2k6h h GLN 185 N -0.28 0.27 0.00 5.44 3.07 -1.87 -3.32 115.11 118.42 2k6h h GLN 185 Ca -0.46 -0.43 0.00 0.00 0.09 0.00 0.00 58.65 57.85 2k6h h GLN 185 Cb 1.24 0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.96 2k6h h GLN 185 CO 0.53 1.19 -0.13 0.45 0.09 0.00 0.00 178.83 180.96 2k6h h HIS 186 N 0.09 0.00 -0.56 0.06 3.86 -1.94 -3.48 115.15 113.18 2k6h h HIS 186 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2k6h h HIS 186 Cb 1.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.38 2k6h h HIS 186 CO 0.06 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.26 2k6h n GLY 187 N 1.23 -0.91 3.10 2.45 0.00 -1.25 -4.91 105.19 104.89 2k6h n GLY 187 Ca 0.04 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 2k6h n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6h s VAL 188 N 0.00 0.33 -0.10 1.61 0.11 0.13 -4.90 120.40 117.58 2k6h s VAL 188 Ca 0.00 -1.74 0.03 0.00 -2.93 0.00 0.00 61.98 57.34 2k6h s VAL 188 Cb 0.00 -1.42 0.01 0.00 -1.53 0.00 0.00 36.38 33.44 2k6h s VAL 188 CO 0.00 -0.91 -0.20 -0.89 -3.33 0.00 0.00 175.10 169.77 2k6h s THR 189 N -3.56 1.81 0.72 5.04 2.01 -1.26 -0.67 115.64 119.72 2k6h s THR 189 Ca 0.06 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 2k6h s THR 189 Cb 0.05 -1.59 0.17 0.00 0.01 0.00 0.00 72.50 71.14 2k6h s THR 189 CO -0.08 0.50 0.82 0.00 -0.69 0.00 0.00 174.62 175.17 2k6h n LEU 190 N 3.80 0.00 -4.43 4.42 -0.00 -1.24 -5.06 117.00 114.50 2k6h n LEU 190 Ca -0.20 -0.88 -0.21 0.00 -0.00 0.00 0.00 56.01 54.72 2k6h n LEU 190 Cb 0.52 -0.67 -0.10 0.00 -0.00 0.00 0.00 43.42 43.17 2k6h n LEU 190 CO 0.27 -1.39 -0.37 0.28 -0.00 0.00 0.00 177.39 176.18 2k6h s THR 191 N -2.67 1.65 0.24 1.47 -1.32 -1.26 -4.73 115.64 109.02 2k6h s THR 191 Ca 0.49 -2.13 -0.05 0.00 -1.21 0.00 0.00 61.69 58.79 2k6h s THR 191 Cb -0.03 -2.44 0.21 0.00 -1.51 0.00 0.00 72.50 68.73 2k6h s THR 191 CO 0.35 -0.31 1.80 -0.37 -2.21 0.00 0.00 174.62 173.89 2k6h h VAL 192 N 2.28 0.89 0.10 5.08 -1.51 -1.99 -1.00 116.25 120.11 2k6h h VAL 192 Ca -0.40 -0.26 0.02 0.00 -1.23 0.00 0.00 66.70 64.83 2k6h h VAL 192 Cb 1.23 0.07 -0.03 0.00 -2.13 0.00 0.00 31.29 30.43 2k6h h VAL 192 CO 0.67 0.14 -0.22 0.74 -1.23 0.00 0.00 177.57 177.67 2k6h h THR 193 N 0.76 0.51 0.09 7.19 2.02 -1.99 -1.26 112.91 120.22 2k6h h THR 193 Ca 0.39 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.57 2k6h h THR 193 Cb 0.37 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2k6h h THR 193 CO -0.25 0.00 -0.04 1.56 0.37 0.00 0.00 175.52 177.15 2k6h h GLN 194 N -0.40 -0.12 -0.30 6.66 4.20 -1.89 -1.87 115.11 121.39 2k6h h GLN 194 Ca 0.03 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.82 2k6h h GLN 194 Cb 0.43 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 2k6h h GLN 194 CO -0.13 0.09 -0.15 0.78 -0.67 0.00 0.00 178.83 178.75 2k6h h GLY 195 N -0.31 0.09 0.85 3.46 0.00 -0.83 -1.94 103.07 104.39 2k6h h GLY 195 Ca -0.01 0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.36 2k6h h GLY 195 CO 0.02 -0.16 -0.55 0.50 0.00 0.00 0.00 176.54 176.35 2k6h h LYS 196 N -0.10 0.48 -0.39 4.80 1.57 -1.29 -3.32 116.57 118.33 2k6h h LYS 196 Ca 0.16 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 2k6h h LYS 196 Cb 0.34 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2k6h h LYS 196 CO -0.37 1.07 -0.05 -0.56 -0.57 0.00 0.00 179.45 178.97 2k6h h GLN 197 N 0.04 0.64 0.09 3.15 3.07 -0.98 -2.62 115.11 118.50 2k6h h GLN 197 Ca -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 58.65 58.51 2k6h h GLN 197 Cb 1.22 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.70 2k6h h GLN 197 CO 0.11 0.70 -0.04 -0.39 0.09 0.00 0.00 178.83 179.29 2k6h h VAL 198 N 0.60 1.12 0.00 1.86 -1.51 -1.49 -3.21 116.25 113.63 2k6h h VAL 198 Ca 0.12 -0.84 -0.05 0.00 -1.23 0.00 0.00 66.70 64.70 2k6h h VAL 198 Cb 0.45 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 2k6h h VAL 198 CO 0.02 0.20 -0.23 0.06 -1.23 0.00 0.00 177.57 176.40 2k6h h GLN 199 N -0.51 0.00 -2.08 5.19 3.07 -1.63 -2.78 115.11 116.37 2k6h h GLN 199 Ca -0.01 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 58.11 2k6h h GLN 199 Cb 0.43 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 27.78 2k6h h GLN 199 CO 0.02 0.23 0.84 1.17 0.09 0.00 0.00 178.83 181.18 2k6h n LYS 200 N -4.09 2.93 0.32 0.06 3.00 -0.99 -4.71 118.16 114.67 2k6h n LYS 200 Ca -0.02 -2.94 0.20 0.00 -0.00 0.00 0.00 58.31 55.55 2k6h n LYS 200 Cb 0.30 -2.25 1.09 0.00 0.00 0.00 0.00 35.03 34.16 2k6h n LYS 200 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 2k6h h TRP 201 N 3.25 0.00 -0.92 5.64 7.01 -1.60 -0.66 115.95 128.67 2k6h h TRP 201 Ca 0.49 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.58 2k6h h TRP 201 Cb 0.46 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.45 2k6h h TRP 201 CO 1.39 0.00 0.59 0.22 -2.79 0.00 0.00 178.44 177.86 2k6h h ASP 202 N 0.00 0.85 -0.66 2.65 3.58 -1.90 0.59 116.42 121.52 2k6h h ASP 202 Ca 0.01 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 2k6h h ASP 202 Cb 0.12 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2k6h h ASP 202 CO -0.00 0.50 0.15 -0.09 -2.88 0.00 0.00 179.24 176.92 2k6h h ARG 203 N 0.93 1.08 0.12 0.28 2.43 -1.49 -0.19 114.38 117.54 2k6h h ARG 203 Ca 0.43 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2k6h h ARG 203 Cb 0.39 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2k6h h ARG 203 CO -0.19 0.96 -0.06 0.82 -1.51 0.00 0.00 179.97 180.00 2k6h h ILE 204 N 1.02 0.98 0.00 1.20 5.03 -1.39 -1.87 117.51 122.47 2k6h h ILE 204 Ca 0.21 -0.37 -0.03 0.00 -0.12 0.00 0.00 64.86 64.54 2k6h h ILE 204 Cb 0.38 1.21 -0.00 0.00 -3.03 0.00 0.00 36.82 35.38 2k6h h ILE 204 CO 0.00 0.09 -0.16 0.28 -0.68 0.00 0.00 178.15 177.68 2k6h h SER 205 N -0.33 0.00 0.11 1.72 0.02 -0.40 0.48 113.55 115.14 2k6h h SER 205 Ca -0.02 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.69 2k6h h SER 205 Cb 0.27 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.84 2k6h h SER 205 CO 0.03 0.16 -1.04 0.07 -1.14 0.00 0.00 176.83 174.91 2k6h h LYS 206 N 0.00 0.51 -0.08 3.45 2.10 -1.04 -3.30 116.57 118.21 2k6h h LYS 206 Ca -0.00 -0.70 -0.00 0.00 -2.00 0.00 0.00 60.65 57.95 2k6h h LYS 206 Cb 0.40 0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2k6h h LYS 206 CO 0.02 1.30 0.04 0.00 -2.00 0.00 0.00 179.45 178.81 2k6h h ALA 207 N 0.24 0.10 -0.92 0.07 0.00 -0.37 -0.49 119.26 117.89 2k6h h ALA 207 Ca -0.16 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2k6h h ALA 207 Cb 1.75 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 2k6h h ALA 207 CO 0.20 -0.36 0.58 0.00 0.00 0.00 0.00 179.25 179.67 2k6h h ALA 208 N 0.94 1.26 -0.29 0.00 0.00 -1.14 -0.27 119.26 119.78 2k6h h ALA 208 Ca 0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2k6h h ALA 208 Cb 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2k6h h ALA 208 CO -0.00 0.36 -0.32 0.35 0.00 0.00 0.00 179.25 179.63 2k6h h PHE 209 N 1.06 0.87 -0.33 0.00 3.57 -1.58 -2.68 116.94 117.85 2k6h h PHE 209 Ca 0.40 -0.27 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2k6h h PHE 209 Cb 0.16 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2k6h h PHE 209 CO -0.02 1.03 0.01 1.49 -2.23 0.00 0.00 178.31 178.59 2k6h h GLU 210 N 0.46 0.50 0.00 1.11 4.81 -0.44 0.03 114.58 121.06 2k6h h GLU 210 Ca 0.04 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k6h h GLU 210 Cb 0.90 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2k6h h GLU 210 CO 0.08 0.52 0.00 0.91 -0.73 0.00 0.00 179.01 179.79 2k6h n TRP 211 N -4.29 0.00 0.20 0.92 8.01 -0.17 -4.02 117.44 118.08 2k6h n TRP 211 Ca 0.01 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.12 2k6h n TRP 211 Cb 0.23 -0.23 -0.04 0.00 -2.01 0.00 0.00 31.31 29.27 2k6h n TRP 211 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2k6h h ALA 212 N 3.05 -0.70 0.00 6.99 0.00 -0.63 -3.34 119.26 124.64 2k6h h ALA 212 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2k6h h ALA 212 Cb 0.15 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k6h h ALA 212 CO 0.00 -0.66 -0.52 0.22 0.00 0.00 0.00 179.25 178.29 2k6h h ASP 213 N -0.86 0.00 -3.79 0.00 3.58 -1.73 -3.40 116.42 110.21 2k6h h ASP 213 Ca -0.06 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.71 2k6h h ASP 213 Cb 0.42 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 41.11 2k6h h ASP 213 CO 0.09 0.52 -0.52 -1.00 -2.88 0.00 0.00 179.24 175.45 2k6h s HIS 214 N -3.28 3.52 -0.95 0.28 3.76 -1.25 -4.99 115.29 112.36 2k6h s HIS 214 Ca 0.01 -2.65 0.18 0.00 -0.15 0.00 0.00 55.06 52.45 2k6h s HIS 214 Cb 0.10 -3.14 0.75 0.00 1.11 0.00 0.00 32.58 31.40 2k6h s HIS 214 CO 0.73 -0.91 1.57 -0.35 -0.85 0.00 0.00 174.74 174.92 2k6h n PRO 215 N 4.08 0.02 -0.44 8.40 -0.04 -1.25 -2.88 135.00 142.88 2k6h n PRO 215 Ca 0.02 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 2k6h n PRO 215 Cb 0.39 -1.53 0.08 0.00 -0.04 0.00 0.00 33.50 32.40 2k6h n PRO 215 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k6h n THR 216 N -1.57 0.96 -0.74 0.52 5.66 -1.26 -4.80 114.28 113.04 2k6h n THR 216 Ca 0.04 -1.31 -0.30 0.00 -3.05 0.00 0.00 64.05 59.43 2k6h n THR 216 Cb 0.21 0.19 0.17 0.00 -1.55 0.00 0.00 70.33 69.35 2k6h n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k6h s ALA 217 N -1.45 1.19 -0.09 1.79 0.00 -1.14 -5.06 121.76 117.01 2k6h s ALA 217 Ca 0.20 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.60 2k6h s ALA 217 Cb 0.19 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 2k6h s ALA 217 CO -0.01 -2.85 -0.24 0.54 0.00 0.00 0.00 175.76 173.19 2k6h s VAL 218 N -2.65 2.07 -0.26 0.00 0.11 -1.26 -4.84 120.40 113.56 2k6h s VAL 218 Ca 0.66 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 2k6h s VAL 218 Cb -0.22 -1.77 0.06 0.00 -1.53 0.00 0.00 36.38 32.92 2k6h s VAL 218 CO 0.59 0.56 -0.08 -0.63 -3.33 0.00 0.00 175.10 172.21 2k6h s ILE 219 N 0.16 2.05 0.49 7.04 1.01 -1.26 -5.01 121.20 125.68 2k6h s ILE 219 Ca -0.13 -1.63 0.19 0.00 0.00 0.00 0.00 60.65 59.08 2k6h s ILE 219 Cb -0.16 -2.22 0.25 0.00 0.01 0.00 0.00 42.46 40.33 2k6h s ILE 219 CO 0.07 -0.10 2.09 1.55 0.00 0.00 0.00 174.94 178.55 2k6h h PRO 220 N 7.79 0.00 -0.61 2.79 0.13 -1.98 -0.77 132.00 139.34 2k6h h PRO 220 Ca -0.17 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.00 2k6h h PRO 220 Cb 1.04 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 2k6h h PRO 220 CO 0.46 0.09 0.34 -0.44 -0.23 0.00 0.00 178.00 178.22 2k6h h ASP 221 N 0.00 0.51 0.30 1.44 3.32 -1.98 -3.21 116.42 116.80 2k6h h ASP 221 Ca -0.00 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.82 2k6h h ASP 221 Cb 0.18 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 2k6h h ASP 221 CO 0.01 0.34 -1.93 0.80 -1.72 0.00 0.00 179.24 176.74 2k6h n MET 222 N -4.80 0.65 0.13 3.56 1.56 -0.73 -4.07 117.12 113.43 2k6h n MET 222 Ca 0.07 0.10 0.15 0.00 -0.27 0.00 0.00 57.70 57.75 2k6h n MET 222 Cb 0.14 -1.66 0.69 0.00 2.15 0.00 0.00 33.22 34.55 2k6h n MET 222 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 2k6h h GLN 223 N 0.00 0.00 -0.40 2.12 4.15 -1.09 -2.00 115.11 117.90 2k6h h GLN 223 Ca -0.32 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.17 2k6h h GLN 223 Cb 1.87 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.54 2k6h h GLN 223 CO 0.04 0.00 0.27 0.87 -1.93 0.00 0.00 178.83 178.08 2k6h h LYS 224 N 0.00 0.19 -0.12 1.69 1.79 -1.70 -0.51 116.57 117.91 2k6h h LYS 224 Ca 0.13 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2k6h h LYS 224 Cb 0.54 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2k6h h LYS 224 CO -0.00 0.13 0.00 1.28 -1.08 0.00 0.00 179.45 179.78 2k6h n LEU 225 N -4.46 1.17 0.00 2.94 7.99 -0.76 -4.88 117.00 119.00 2k6h n LEU 225 Ca 0.06 -0.49 0.00 0.00 -0.01 0.00 0.00 56.01 55.56 2k6h n LEU 225 Cb 0.33 -0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 2k6h n LEU 225 CO 0.35 0.25 0.00 0.61 -1.51 0.00 0.00 177.39 177.08 2k6h n GLY 226 N 1.03 0.77 3.38 -0.72 0.00 -0.20 -4.99 105.19 104.45 2k6h n GLY 226 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 2k6h n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6h s ILE 227 N -2.90 5.65 -0.95 -0.61 1.01 -1.17 -4.80 121.20 117.43 2k6h s ILE 227 Ca 0.00 -3.08 0.26 0.00 0.00 0.00 0.00 60.65 57.83 2k6h s ILE 227 Cb 0.00 -4.70 0.11 0.00 0.01 0.00 0.00 42.46 37.88 2k6h s ILE 227 CO 0.00 -1.32 1.62 2.29 0.00 0.00 0.00 174.94 177.53 2k6h n LYS 228 N 3.79 0.04 -4.57 2.79 2.85 -1.26 -3.03 118.16 118.76 2k6h n LYS 228 Ca 0.27 0.02 -0.23 0.00 -1.05 0.00 0.00 58.31 57.32 2k6h n LYS 228 Cb 0.41 -1.53 -0.14 0.00 -0.65 0.00 0.00 35.03 33.11 2k6h n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2k6h s ASP 229 N -3.19 1.93 0.47 -5.58 1.01 -1.26 -4.70 116.67 105.34 2k6h s ASP 229 Ca 0.12 -0.40 0.13 0.00 0.71 0.00 0.00 52.55 53.10 2k6h s ASP 229 Cb 0.17 -0.17 1.08 0.00 1.01 0.00 0.00 42.92 45.01 2k6h s ASP 229 CO 0.63 0.13 2.07 0.07 0.21 0.00 0.00 175.17 178.28 2k6h h LYS 230 N 5.24 0.13 -0.53 8.23 2.10 -1.88 -1.56 116.57 128.30 2k6h h LYS 230 Ca -0.38 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.25 2k6h h LYS 230 Cb 1.17 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.44 2k6h h LYS 230 CO 0.46 0.15 0.31 -0.97 -2.00 0.00 0.00 179.45 177.39 2k6h h ASN 231 N 0.13 0.66 -0.60 7.07 -1.24 -1.96 0.50 115.58 120.15 2k6h h ASN 231 Ca 0.03 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 56.91 2k6h h ASN 231 Cb 0.10 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2k6h h ASN 231 CO 0.00 0.54 0.16 -0.08 -1.29 0.00 0.00 177.43 176.77 2k6h h GLU 232 N 0.72 0.95 0.18 6.67 4.57 -1.74 -2.16 114.58 123.76 2k6h h GLU 232 Ca 0.19 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2k6h h GLU 232 Cb 0.02 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2k6h h GLU 232 CO -0.03 0.86 -0.14 0.00 -1.18 0.00 0.00 179.01 178.52 2k6h h ALA 233 N 1.04 -0.31 -0.70 2.92 0.00 -0.96 -2.70 119.26 118.56 2k6h h ALA 233 Ca 0.19 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2k6h h ALA 233 Cb 0.33 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2k6h h ALA 233 CO -0.00 -0.69 0.46 0.00 0.00 0.00 0.00 179.25 179.03 2k6h h ALA 234 N 0.47 1.64 -0.00 0.00 0.00 -0.63 0.11 119.26 120.85 2k6h h ALA 234 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k6h h ALA 234 Cb 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k6h h ALA 234 CO -0.01 0.28 -0.08 2.89 0.00 0.00 0.00 179.25 182.33 2k6h n ARG 235 N -4.46 0.36 -0.13 0.00 1.85 -0.84 -3.81 116.66 109.63 2k6h n ARG 235 Ca 0.09 -0.07 -0.20 0.00 -1.00 0.00 0.00 57.85 56.67 2k6h n ARG 235 Cb 0.16 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 29.95 2k6h n ARG 235 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2k6h n ILE 236 N -1.26 1.51 -2.80 8.89 5.41 -0.25 -4.58 119.36 126.28 2k6h n ILE 236 Ca 0.12 -0.54 -0.11 0.00 1.00 0.00 0.00 62.75 63.21 2k6h n ILE 236 Cb 0.28 -1.50 0.05 0.00 -0.71 0.00 0.00 39.64 37.76 2k6h n ILE 236 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2k6h n VAL 237 N -3.42 0.00 0.00 1.39 0.24 0.20 -1.10 118.33 115.64 2k6h n VAL 237 Ca -0.47 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.85 2k6h n VAL 237 Cb 0.97 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 2k6h n VAL 237 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6h n ALA 238 N -2.76 1.93 -2.35 2.33 0.00 0.70 -3.86 120.51 116.50 2k6h n ALA 238 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2k6h n ALA 238 Cb 0.33 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 2k6h n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k6h s LEU 239 N -3.04 2.43 0.05 0.00 1.43 -1.23 -4.28 118.68 114.03 2k6h s LEU 239 Ca 0.00 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.26 2k6h s LEU 239 Cb 0.00 0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.24 2k6h s LEU 239 CO 0.00 -0.46 -0.09 0.68 0.23 0.00 0.00 176.35 176.71 2k6h s VAL 240 N -3.11 0.67 0.94 -1.59 -7.23 -0.83 -4.94 120.40 104.31 2k6h s VAL 240 Ca 0.03 -1.08 -0.11 0.00 -1.81 0.00 0.00 61.98 59.01 2k6h s VAL 240 Cb 0.02 -0.71 0.16 0.00 0.56 0.00 0.00 36.38 36.42 2k6h s VAL 240 CO -0.05 -0.31 1.12 -0.75 -0.31 0.00 0.00 175.10 174.80 2k6h s LYS 241 N -1.52 0.79 -0.34 4.82 2.20 -1.26 -1.72 119.74 122.70 2k6h s LYS 241 Ca -0.07 1.40 -0.27 0.00 -0.36 0.00 0.00 55.97 56.66 2k6h s LYS 241 Cb -0.10 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.47 2k6h s LYS 241 CO 0.01 -2.74 2.14 1.21 -0.36 0.00 0.00 175.35 175.62 2k6h s ASN 242 N -2.71 5.28 -0.29 1.43 3.84 -1.24 -4.35 114.94 116.88 2k6h s ASN 242 Ca 0.67 1.43 -0.11 0.00 0.21 0.00 0.00 52.86 55.06 2k6h s ASN 242 Cb -0.23 -2.51 -0.03 0.00 -0.55 0.00 0.00 41.25 37.93 2k6h s ASN 242 CO 0.59 -2.17 0.18 -1.58 -2.79 0.00 0.00 177.10 171.32 2k6h s GLN 243 N 6.74 3.71 0.56 0.43 2.00 -1.26 -4.96 119.66 126.88 2k6h s GLN 243 Ca 0.92 -0.47 -0.21 0.00 -2.00 0.00 0.00 55.36 53.60 2k6h s GLN 243 Cb -0.25 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 29.89 2k6h s GLN 243 CO 0.31 -0.27 1.29 -0.08 -0.50 0.00 0.00 175.29 176.04 2k6h s THR 244 N 1.71 2.32 -1.31 -0.34 -1.32 -1.26 -4.90 115.64 110.53 2k6h s THR 244 Ca 0.06 0.22 -0.18 0.00 -1.21 0.00 0.00 61.69 60.59 2k6h s THR 244 Cb -0.16 -3.10 0.07 0.00 -1.51 0.00 0.00 72.50 67.79 2k6h s THR 244 CO 0.09 -0.02 1.79 0.41 -2.21 0.00 0.00 174.62 174.68 2k6h n THR 245 N -1.21 3.88 0.00 5.08 -1.04 -1.26 -4.81 114.28 114.93 2k6h n THR 245 Ca 0.11 -3.99 0.00 0.00 -2.04 0.00 0.00 64.05 58.14 2k6h n THR 245 Cb 0.47 -2.37 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 2k6h n THR 245 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k6h n ALA 246 N 8.25 0.00 -3.07 2.41 0.00 -1.26 -5.09 120.51 121.75 2k6h n ALA 246 Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 2k6h n ALA 246 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 2k6h n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6h s ALA 247 N -3.96 -0.64 0.00 0.00 0.00 -1.26 -5.25 121.76 110.65 2k6h s ALA 247 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2k6h s ALA 247 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2k6h s ALA 247 CO 0.00 -0.34 0.24 0.00 0.00 0.00 0.00 175.76 175.66