#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6h n LYS 2 N 0.00 2.78 -4.13 0.03 0.00 -1.26 -4.87 118.16 110.70 2k6h n LYS 2 Ca 0.00 -1.97 -0.24 0.00 -0.00 0.00 0.00 58.31 56.10 2k6h n LYS 2 Cb 0.00 -2.77 -0.07 0.00 -0.00 0.00 0.00 35.03 32.19 2k6h n LYS 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2k6h s ARG 3 N 3.07 2.23 -0.03 -1.58 0.52 -1.26 -4.85 118.95 117.04 2k6h s ARG 3 Ca 0.55 -1.80 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2k6h s ARG 3 Cb 0.14 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.64 2k6h s ARG 3 CO -0.04 -0.08 0.06 -1.50 0.02 0.00 0.00 175.30 173.76 2k6h s ILE 4 N -2.57 -0.06 -0.11 1.52 -1.16 -1.26 -5.10 121.20 112.45 2k6h s ILE 4 Ca 0.40 0.22 -0.29 0.00 -0.51 0.00 0.00 60.65 60.48 2k6h s ILE 4 Cb 0.03 -0.12 -0.01 0.00 0.61 0.00 0.00 42.46 42.97 2k6h s ILE 4 CO 0.22 0.09 0.97 0.54 -2.81 0.00 0.00 174.94 173.95 2k6h s VAL 5 N 1.15 4.81 0.10 4.00 0.11 -1.26 -4.93 120.40 124.39 2k6h s VAL 5 Ca -0.08 1.96 -0.34 0.00 -2.93 0.00 0.00 61.98 60.59 2k6h s VAL 5 Cb -0.13 -4.28 -0.13 0.00 -1.53 0.00 0.00 36.38 30.31 2k6h s VAL 5 CO -0.04 0.03 1.64 -2.65 -3.33 0.00 0.00 175.10 170.75 2k6h n PRO 6 N 4.92 2.11 0.06 1.54 -0.02 -1.26 -4.93 135.00 137.42 2k6h n PRO 6 Ca 0.08 0.77 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2k6h n PRO 6 Cb 0.49 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 2k6h n PRO 6 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2k6h h LYS 7 N 6.62 -0.22 -3.60 -0.52 6.56 -1.92 -3.49 116.57 120.00 2k6h h LYS 7 Ca -0.46 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.09 2k6h h LYS 7 Cb 1.26 0.05 -0.09 0.00 -0.57 0.00 0.00 32.23 32.89 2k6h h LYS 7 CO 0.90 0.20 -0.08 0.12 -2.06 0.00 0.00 179.45 178.52 2k6h s PHE 8 N -3.43 0.34 -0.08 -1.35 5.36 -1.26 -5.17 117.98 112.39 2k6h s PHE 8 Ca -0.12 -0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 55.10 2k6h s PHE 8 Cb 0.00 0.24 0.04 0.00 -0.34 0.00 0.00 43.02 42.96 2k6h s PHE 8 CO 0.47 -1.03 0.17 -0.08 -1.46 0.00 0.00 175.22 173.28 2k6h s THR 9 N -3.94 -0.12 -0.36 0.12 -1.32 -1.26 -4.45 115.64 104.31 2k6h s THR 9 Ca 0.22 0.23 -0.26 0.00 -1.21 0.00 0.00 61.69 60.66 2k6h s THR 9 Cb -0.01 -0.28 0.01 0.00 -1.51 0.00 0.00 72.50 70.71 2k6h s THR 9 CO 0.09 0.09 0.96 -1.61 -2.21 0.00 0.00 174.62 171.95 2k6h s GLU 10 N 1.53 3.90 -0.20 7.08 0.41 -0.99 -4.94 118.70 125.48 2k6h s GLU 10 Ca -0.06 0.69 -0.07 0.00 -0.41 0.00 0.00 54.97 55.13 2k6h s GLU 10 Cb -0.12 -3.79 -0.03 0.00 -1.78 0.00 0.00 34.13 28.41 2k6h s GLU 10 CO -0.06 -0.94 0.05 0.42 -0.49 0.00 0.00 175.26 174.24 2k6h s ILE 11 N 3.52 4.44 -0.01 -1.63 1.01 -1.26 -0.66 121.20 126.61 2k6h s ILE 11 Ca 0.40 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.92 2k6h s ILE 11 Cb -0.12 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.33 2k6h s ILE 11 CO 0.18 0.42 -0.06 -0.36 0.00 0.00 0.00 174.94 175.12 2k6h s PHE 12 N 0.86 0.57 0.35 3.97 0.08 -0.54 -5.00 117.98 118.27 2k6h s PHE 12 Ca 0.03 -0.11 -0.28 0.00 0.12 0.00 0.00 56.93 56.68 2k6h s PHE 12 Cb -0.14 -0.39 -0.11 0.00 -0.57 0.00 0.00 43.02 41.82 2k6h s PHE 12 CO 0.02 -0.03 1.45 -2.14 -0.10 0.00 0.00 175.22 174.42 2k6h s PRO 13 N -0.03 4.18 0.00 0.24 0.02 -1.26 -0.93 135.00 137.22 2k6h s PRO 13 Ca 0.01 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2k6h s PRO 13 Cb -0.04 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2k6h s PRO 13 CO -0.00 -0.44 0.13 1.55 -0.33 0.00 0.00 177.00 177.90 2k6h n VAL 14 N 0.80 0.00 0.72 3.83 3.14 -0.33 -4.85 118.33 121.64 2k6h n VAL 14 Ca 0.02 -0.42 0.13 0.00 -2.96 0.00 0.00 64.34 61.11 2k6h n VAL 14 Cb 0.40 1.05 0.48 0.00 -1.06 0.00 0.00 33.84 34.71 2k6h n VAL 14 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2k6h n GLU 15 N -0.58 0.15 -3.69 1.45 0.28 -1.26 -4.73 120.64 112.27 2k6h n GLU 15 Ca 0.00 0.17 -0.17 0.00 -0.16 0.00 0.00 57.16 57.00 2k6h n GLU 15 Cb 0.01 -1.69 -0.16 0.00 1.43 0.00 0.00 31.44 31.03 2k6h n GLU 15 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2k6h s ASP 16 N -3.91 0.62 -0.62 -1.84 2.15 -1.26 -4.56 116.67 107.25 2k6h s ASP 16 Ca 0.11 0.28 -0.26 0.00 0.43 0.00 0.00 52.55 53.11 2k6h s ASP 16 Cb 0.14 0.19 -0.04 0.00 -0.30 0.00 0.00 42.92 42.91 2k6h s ASP 16 CO 0.54 -0.22 2.04 0.00 -0.17 0.00 0.00 175.17 177.35 2k6h s ALA 17 N 2.02 1.90 0.00 3.66 0.00 -1.26 -4.70 121.76 123.38 2k6h s ALA 17 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2k6h s ALA 17 Cb -0.12 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.64 2k6h s ALA 17 CO -0.05 -4.25 0.00 0.09 0.00 0.00 0.00 175.76 171.54 2k6h n ASN 18 N 14.02 0.92 -3.82 0.00 3.02 -1.26 -5.03 115.26 123.11 2k6h n ASN 18 Ca 0.28 -0.37 -0.12 0.00 -0.03 0.00 0.00 54.58 54.34 2k6h n ASN 18 Cb 0.52 0.92 -0.09 0.00 -0.61 0.00 0.00 39.78 40.51 2k6h n ASN 18 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2k6h s TYR 19 N -1.10 -0.07 0.54 3.10 1.13 -1.26 -5.17 117.35 114.52 2k6h s TYR 19 Ca 0.00 0.08 -0.17 0.00 -1.41 0.00 0.00 57.07 55.58 2k6h s TYR 19 Cb 0.00 0.02 -0.06 0.00 -1.10 0.00 0.00 41.96 40.82 2k6h s TYR 19 CO 0.00 -0.32 1.02 -1.25 -2.51 0.00 0.00 175.55 172.49 2k6h s PRO 20 N -1.28 3.65 0.49 -3.49 0.04 -1.26 -4.96 135.00 128.19 2k6h s PRO 20 Ca -0.13 1.13 0.17 0.00 0.04 0.00 0.00 61.00 62.21 2k6h s PRO 20 Cb -0.06 -2.08 1.19 0.00 0.04 0.00 0.00 34.50 33.58 2k6h s PRO 20 CO 0.03 -0.53 2.07 1.88 0.04 0.00 0.00 177.00 180.48 2k6h h TYR 21 N 0.81 0.00 -0.73 0.56 0.05 -1.93 -3.05 116.97 112.69 2k6h h TYR 21 Ca -0.47 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.46 2k6h h TYR 21 Cb 1.21 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.84 2k6h h TYR 21 CO 0.60 0.11 0.19 1.03 -1.05 0.00 0.00 178.16 179.04 2k6h h SER 22 N 0.00 0.05 0.24 3.88 0.87 -1.93 0.42 113.55 117.08 2k6h h SER 22 Ca -0.00 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2k6h h SER 22 Cb 0.20 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2k6h h SER 22 CO 0.01 -0.01 -0.11 0.00 -0.53 0.00 0.00 176.83 176.19 2k6h h ALA 23 N 1.59 -0.32 0.23 6.23 0.00 -1.94 0.05 119.26 125.11 2k6h h ALA 23 Ca 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2k6h h ALA 23 Cb 0.68 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k6h h ALA 23 CO -0.49 -0.66 -0.12 0.35 0.00 0.00 0.00 179.25 178.34 2k6h h PHE 24 N -0.36 -0.31 -0.22 0.00 3.57 -1.46 -1.27 116.94 116.89 2k6h h PHE 24 Ca -0.03 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2k6h h PHE 24 Cb 0.28 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2k6h h PHE 24 CO -0.05 -0.19 0.11 0.82 -2.23 0.00 0.00 178.31 176.77 2k6h h ILE 25 N -0.32 1.00 -0.64 1.41 1.08 -0.92 -2.17 117.51 116.95 2k6h h ILE 25 Ca -0.03 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 2k6h h ILE 25 Cb 0.25 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 2k6h h ILE 25 CO 0.05 0.04 0.41 0.00 -0.69 0.00 0.00 178.15 177.96 2k6h h ALA 26 N 1.11 0.82 0.45 1.87 0.00 -0.87 -0.02 119.26 122.62 2k6h h ALA 26 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2k6h h ALA 26 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2k6h h ALA 26 CO -0.06 0.19 -0.39 1.03 0.00 0.00 0.00 179.25 180.02 2k6h h SER 27 N 0.81 -1.04 -0.73 0.00 0.87 -0.82 -0.14 113.55 112.50 2k6h h SER 27 Ca 0.25 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 2k6h h SER 27 Cb -0.03 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 2k6h h SER 27 CO -0.08 -0.55 0.36 0.58 -0.53 0.00 0.00 176.83 176.60 2k6h h VAL 28 N -0.84 1.23 0.21 2.23 2.07 -1.25 -2.02 116.25 117.89 2k6h h VAL 28 Ca -0.04 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.84 2k6h h VAL 28 Cb 0.73 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2k6h h VAL 28 CO -0.03 0.27 -0.41 -0.09 0.02 0.00 0.00 177.57 177.33 2k6h h ARG 29 N 1.02 -0.68 -1.01 1.57 2.43 -0.78 -0.59 114.38 116.35 2k6h h ARG 29 Ca 0.25 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 2k6h h ARG 29 Cb 0.11 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 2k6h h ARG 29 CO -0.03 -0.45 0.66 0.87 -1.51 0.00 0.00 179.97 179.50 2k6h h LYS 30 N -0.71 1.25 0.35 0.20 1.79 -0.80 -2.17 116.57 116.50 2k6h h LYS 30 Ca 0.00 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2k6h h LYS 30 Cb 0.70 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2k6h h LYS 30 CO -0.19 0.83 -0.17 -0.44 -1.08 0.00 0.00 179.45 178.40 2k6h h ASP 31 N 1.29 -0.40 0.29 0.86 3.32 -1.06 -3.17 116.42 117.55 2k6h h ASP 31 Ca 0.39 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 2k6h h ASP 31 Cb -0.03 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2k6h h ASP 31 CO -0.12 -0.13 -0.15 1.62 -1.72 0.00 0.00 179.24 178.75 2k6h h VAL 32 N -0.67 0.78 -0.11 -1.35 3.04 -0.89 -1.21 116.25 115.84 2k6h h VAL 32 Ca -0.05 -0.57 0.03 0.00 -1.01 0.00 0.00 66.70 65.10 2k6h h VAL 32 Cb 0.48 1.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2k6h h VAL 32 CO 0.08 0.14 0.09 0.40 -1.01 0.00 0.00 177.57 177.27 2k6h h ILE 33 N 0.00 0.78 0.00 3.17 2.04 -1.36 -0.87 117.51 121.27 2k6h h ILE 33 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k6h h ILE 33 Cb 0.33 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2k6h h ILE 33 CO 0.02 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.46 2k6h n LYS 34 N -4.27 0.12 0.00 2.37 4.76 -0.46 -3.52 118.16 117.17 2k6h n LYS 34 Ca -0.00 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2k6h n LYS 34 Cb 0.21 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2k6h n LYS 34 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2k6h n HIS 35 N -1.40 0.00 -1.99 2.13 -0.00 -0.40 -5.09 115.22 108.46 2k6h n HIS 35 Ca 0.06 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.95 2k6h n HIS 35 Cb 0.18 0.00 0.17 0.00 -0.12 0.00 0.00 29.99 30.22 2k6h n HIS 35 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k6h s THR 37 N -3.79 4.57 1.14 0.00 2.01 -0.04 -4.94 115.64 114.59 2k6h s THR 37 Ca 0.72 1.12 -0.13 0.00 0.31 0.00 0.00 61.69 63.71 2k6h s THR 37 Cb -0.05 -3.67 0.27 0.00 0.01 0.00 0.00 72.50 69.06 2k6h s THR 37 CO 0.52 -0.46 1.04 1.51 -0.69 0.00 0.00 174.62 176.54 2k6h s ASP 38 N -2.69 1.31 -0.04 3.53 -4.77 -1.26 -3.25 116.67 109.49 2k6h s ASP 38 Ca 0.57 1.33 0.05 0.00 -3.30 0.00 0.00 52.55 51.21 2k6h s ASP 38 Cb -0.10 -2.07 -0.01 0.00 -1.09 0.00 0.00 42.92 39.65 2k6h s ASP 38 CO 0.24 -3.97 -0.21 -1.38 0.70 0.00 0.00 175.17 170.55 2k6h s HIS 39 N -2.63 2.00 0.00 2.11 -3.43 -1.26 -4.53 115.29 107.55 2k6h s HIS 39 Ca 0.68 -0.54 -0.24 0.00 -0.80 0.00 0.00 55.06 54.15 2k6h s HIS 39 Cb -0.22 -1.32 -0.15 0.00 -1.43 0.00 0.00 32.58 29.45 2k6h s HIS 39 CO 0.62 -0.16 1.13 -0.22 -2.00 0.00 0.00 174.74 174.12 2k6h h LYS 40 N 6.06 -0.54 -0.00 -0.38 1.63 -1.95 -3.42 116.57 117.96 2k6h h LYS 40 Ca -0.34 0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.36 2k6h h LYS 40 Cb 1.17 0.12 -0.15 0.00 -0.60 0.00 0.00 32.23 32.77 2k6h h LYS 40 CO 0.48 -0.23 -0.34 0.41 -3.45 0.00 0.00 179.45 176.31 2k6h n GLY 41 N -0.30 0.74 3.86 5.01 0.00 -1.26 -5.12 105.19 108.11 2k6h n GLY 41 Ca -0.10 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.02 5.19 0.11 -0.61 1.01 -1.26 -4.28 121.20 121.34 2k6h s ILE 42 Ca 0.03 0.48 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 2k6h s ILE 42 Cb 0.08 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2k6h s ILE 42 CO -0.03 0.46 1.55 0.15 0.00 0.00 0.00 174.94 177.08 2k6h h PHE 43 N 4.33 0.69 -4.19 3.97 3.57 -1.96 -3.45 116.94 119.90 2k6h h PHE 43 Ca -0.51 -0.12 -0.47 0.00 3.53 0.00 0.00 57.97 60.39 2k6h h PHE 43 Cb 1.21 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 39.80 2k6h h PHE 43 CO 0.70 0.73 0.38 -0.65 -2.23 0.00 0.00 178.31 177.24 2k6h s GLN 44 N -4.99 3.83 0.92 1.11 1.11 -1.26 -5.08 119.66 115.30 2k6h s GLN 44 Ca -0.13 1.01 -0.11 0.00 0.01 0.00 0.00 55.36 56.14 2k6h s GLN 44 Cb 0.09 -2.12 0.15 0.00 -1.01 0.00 0.00 33.01 30.12 2k6h s GLN 44 CO 0.78 -0.37 1.10 -2.14 0.01 0.00 0.00 175.29 174.67 2k6h s PRO 45 N -4.05 0.99 -0.06 2.91 0.02 -1.26 -4.83 135.00 128.73 2k6h s PRO 45 Ca 0.60 1.14 0.05 0.00 0.02 0.00 0.00 61.00 62.81 2k6h s PRO 45 Cb -0.11 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.65 2k6h s PRO 45 CO 0.32 -2.51 -0.24 0.08 -0.33 0.00 0.00 177.00 174.32 2k6h s VAL 46 N -2.75 1.96 0.82 3.83 1.01 -1.20 -2.34 120.40 121.73 2k6h s VAL 46 Ca 0.65 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2k6h s VAL 46 Cb -0.21 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.60 2k6h s VAL 46 CO 0.58 0.54 1.13 -0.76 0.00 0.00 0.00 175.10 176.60 2k6h s LEU 47 N -0.02 3.00 0.95 3.92 1.02 -1.10 -0.86 118.68 125.59 2k6h s LEU 47 Ca -0.07 2.04 -0.11 0.00 0.02 0.00 0.00 54.13 56.01 2k6h s LEU 47 Cb -0.14 -4.55 0.16 0.00 0.02 0.00 0.00 46.19 41.68 2k6h s LEU 47 CO 0.05 -2.51 1.10 -2.16 0.02 0.00 0.00 176.35 172.84 2k6h s PRO 48 N -4.66 0.78 1.06 1.29 0.04 -1.26 -4.34 135.00 127.92 2k6h s PRO 48 Ca 0.65 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 2k6h s PRO 48 Cb -0.21 -1.73 0.23 0.00 0.04 0.00 0.00 34.50 32.83 2k6h s PRO 48 CO 0.55 -2.65 1.07 -1.25 0.04 0.00 0.00 177.00 174.76 2k6h s PRO 49 N -4.72 -0.09 -0.85 0.56 0.04 -1.26 -4.66 135.00 124.01 2k6h s PRO 49 Ca 0.65 0.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 2k6h s PRO 49 Cb -0.21 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2k6h s PRO 49 CO 0.59 -3.11 1.98 -2.00 0.04 0.00 0.00 177.00 174.51 2k6h s GLU 50 N -4.80 2.47 -0.02 4.56 2.56 -1.26 -4.88 118.70 117.33 2k6h s GLU 50 Ca 0.66 -0.08 -0.19 0.00 0.00 0.00 0.00 54.97 55.36 2k6h s GLU 50 Cb -0.21 -4.95 -0.05 0.00 2.00 0.00 0.00 34.13 30.92 2k6h s GLU 50 CO 0.60 -3.39 0.54 0.21 -0.56 0.00 0.00 175.26 172.66 2k6h s LYS 51 N 7.20 4.24 0.13 4.30 2.47 -1.26 -5.02 119.74 131.80 2k6h s LYS 51 Ca 0.72 0.62 -0.15 0.00 -1.56 0.00 0.00 55.97 55.60 2k6h s LYS 51 Cb -0.08 -3.33 -0.01 0.00 -1.46 0.00 0.00 37.83 32.95 2k6h s LYS 51 CO 0.03 0.41 1.62 0.87 0.16 0.00 0.00 175.35 178.45 2k6h h LYS 52 N 5.57 0.65 -3.92 4.03 1.57 -2.05 -3.41 116.57 119.02 2k6h h LYS 52 Ca -0.46 -0.16 -0.53 0.00 -1.87 0.00 0.00 60.65 57.63 2k6h h LYS 52 Cb 1.20 -0.08 -0.38 0.00 0.08 0.00 0.00 32.23 33.04 2k6h h LYS 52 CO 0.69 0.68 -0.78 0.14 -0.57 0.00 0.00 179.45 179.61 2k6h s VAL 53 N -5.27 0.85 0.74 0.50 -7.23 -1.26 -5.12 120.40 103.62 2k6h s VAL 53 Ca -0.13 -0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 59.39 2k6h s VAL 53 Cb 0.10 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.95 2k6h s VAL 53 CO 0.77 0.03 1.10 -2.16 -0.31 0.00 0.00 175.10 174.53 2k6h s PRO 54 N 1.74 2.53 -0.01 4.82 0.04 -1.26 -5.01 135.00 137.85 2k6h s PRO 54 Ca 0.00 0.56 -0.19 0.00 0.04 0.00 0.00 61.00 61.41 2k6h s PRO 54 Cb -0.16 -1.98 -0.32 0.00 0.04 0.00 0.00 34.50 32.09 2k6h s PRO 54 CO -0.07 -1.29 0.97 1.49 0.04 0.00 0.00 177.00 178.14 2k6h h GLU 55 N -0.84 0.42 -3.92 4.56 4.57 -2.01 -3.49 114.58 113.87 2k6h h GLU 55 Ca -0.46 -0.66 -0.11 0.00 -1.18 0.00 0.00 59.36 56.96 2k6h h GLU 55 Cb 1.26 0.24 -0.13 0.00 -0.16 0.00 0.00 28.75 29.95 2k6h h GLU 55 CO 0.62 1.30 -0.37 -0.48 -1.18 0.00 0.00 179.01 178.90 2k6h s LEU 56 N -7.84 1.18 0.32 1.64 0.05 -1.26 -4.91 118.68 107.86 2k6h s LEU 56 Ca -0.12 -0.84 -0.18 0.00 0.05 0.00 0.00 54.13 53.04 2k6h s LEU 56 Cb 0.02 1.05 0.03 0.00 -2.05 0.00 0.00 46.19 45.25 2k6h s LEU 56 CO 0.87 -0.83 0.73 -1.66 -0.55 0.00 0.00 176.35 174.92 2k6h s TRP 57 N -3.95 -0.03 -0.80 3.48 1.48 -1.26 -4.78 118.94 113.09 2k6h s TRP 57 Ca 0.14 -0.51 -0.19 0.00 -1.06 0.00 0.00 56.10 54.49 2k6h s TRP 57 Cb 0.04 0.73 0.13 0.00 -1.16 0.00 0.00 33.47 33.21 2k6h s TRP 57 CO -0.03 -1.36 0.95 -0.51 -4.06 0.00 0.00 176.95 171.94 2k6h s LEU 58 N -2.99 5.31 -0.18 -4.66 1.43 -0.65 -4.91 118.68 112.02 2k6h s LEU 58 Ca 0.13 -1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 51.08 2k6h s LEU 58 Cb -0.05 -2.35 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 2k6h s LEU 58 CO 0.09 -1.05 1.14 -0.31 0.23 0.00 0.00 176.35 176.45 2k6h s TYR 59 N 2.48 3.14 -0.09 0.29 1.51 -1.26 -0.98 117.35 122.44 2k6h s TYR 59 Ca 0.24 1.28 0.02 0.00 -1.01 0.00 0.00 57.07 57.60 2k6h s TYR 59 Cb -0.12 -3.37 0.01 0.00 -0.11 0.00 0.00 41.96 38.38 2k6h s TYR 59 CO -0.03 -1.01 -0.14 0.99 -1.11 0.00 0.00 175.55 174.25 2k6h s THR 60 N 3.18 1.35 -0.24 -0.71 2.01 -0.73 -2.36 115.64 118.13 2k6h s THR 60 Ca 0.49 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.93 2k6h s THR 60 Cb -0.18 -1.23 0.06 0.00 0.01 0.00 0.00 72.50 71.16 2k6h s THR 60 CO 0.11 0.41 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.67 2k6h s GLU 61 N 0.82 1.88 -0.39 4.92 2.12 0.17 -0.59 118.70 127.62 2k6h s GLU 61 Ca -0.11 -1.12 -0.14 0.00 0.36 0.00 0.00 54.97 53.96 2k6h s GLU 61 Cb -0.15 -2.69 0.01 0.00 0.26 0.00 0.00 34.13 31.55 2k6h s GLU 61 CO 0.02 -0.58 0.29 -0.51 -0.54 0.00 0.00 175.26 173.93 2k6h s LEU 62 N 1.28 4.97 0.20 2.70 2.01 -1.01 -1.46 118.68 127.37 2k6h s LEU 62 Ca -0.07 -0.79 0.02 0.00 0.01 0.00 0.00 54.13 53.30 2k6h s LEU 62 Cb -0.19 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 43.82 2k6h s LEU 62 CO -0.06 -0.40 0.36 -0.75 1.01 0.00 0.00 176.35 176.51 2k6h s LYS 63 N 1.69 3.47 0.40 1.70 2.20 -0.11 -2.99 119.74 126.10 2k6h s LYS 63 Ca 0.05 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.19 2k6h s LYS 63 Cb -0.19 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 2k6h s LYS 63 CO 0.10 0.43 0.16 0.95 -0.36 0.00 0.00 175.35 176.62 2k6h s THR 64 N -1.88 0.48 0.16 3.43 -4.23 0.26 -1.18 115.64 112.67 2k6h s THR 64 Ca 0.36 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.71 2k6h s THR 64 Cb -0.10 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.41 2k6h s THR 64 CO 0.29 0.00 1.73 -0.09 -0.54 0.00 0.00 174.62 176.02 2k6h h ARG 65 N 1.84 0.21 0.10 3.99 2.43 -2.00 -3.30 114.38 117.66 2k6h h ARG 65 Ca -0.33 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.65 2k6h h ARG 65 Cb 1.27 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.79 2k6h h ARG 65 CO 0.53 0.14 -0.75 1.15 -1.51 0.00 0.00 179.97 179.52 2k6h h THR 66 N 0.21 1.49 -3.70 0.20 2.02 -1.99 -3.50 112.91 107.65 2k6h h THR 66 Ca 0.18 -2.41 -0.23 0.00 0.77 0.00 0.00 66.41 64.71 2k6h h THR 66 Cb 0.20 3.04 -0.06 0.00 -1.74 0.00 0.00 68.15 69.59 2k6h h THR 66 CO -0.22 0.69 -0.11 -1.20 0.37 0.00 0.00 175.52 175.04 2k6h n SER 67 N -4.15 -1.19 -3.69 4.18 7.64 -1.24 -5.11 113.62 110.06 2k6h n SER 67 Ca -0.13 -2.62 -0.10 0.00 1.01 0.00 0.00 58.87 57.04 2k6h n SER 67 Cb 0.78 2.22 -0.04 0.00 -1.01 0.00 0.00 64.21 66.16 2k6h n SER 67 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k6h s SER 68 N -2.86 -0.29 -0.04 6.43 0.15 -1.26 -0.57 113.70 115.26 2k6h s SER 68 Ca 0.25 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.47 2k6h s SER 68 Cb -0.01 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2k6h s SER 68 CO 0.18 -1.01 0.09 0.27 1.20 0.00 0.00 173.24 173.97 2k6h s ILE 69 N -3.85 -0.03 -0.87 6.45 -4.36 -1.16 -4.39 121.20 113.00 2k6h s ILE 69 Ca 0.07 0.10 -0.16 0.00 -0.26 0.00 0.00 60.65 60.41 2k6h s ILE 69 Cb -0.00 -0.16 0.18 0.00 1.25 0.00 0.00 42.46 43.73 2k6h s ILE 69 CO -0.05 0.04 0.91 -0.89 0.24 0.00 0.00 174.94 175.19 2k6h s THR 70 N 0.63 5.25 -0.10 8.37 2.01 -0.44 -2.41 115.64 128.95 2k6h s THR 70 Ca -0.05 -2.09 -0.30 0.00 0.31 0.00 0.00 61.69 59.56 2k6h s THR 70 Cb -0.07 -4.59 -0.03 0.00 0.01 0.00 0.00 72.50 67.81 2k6h s THR 70 CO -0.03 -1.22 1.40 -1.48 -0.69 0.00 0.00 174.62 172.60 2k6h s LEU 71 N 1.21 4.25 -0.31 4.42 2.34 0.24 -0.65 118.68 130.18 2k6h s LEU 71 Ca 0.24 1.94 -0.15 0.00 0.06 0.00 0.00 54.13 56.21 2k6h s LEU 71 Cb -0.08 -3.54 -0.02 0.00 -0.56 0.00 0.00 46.19 41.98 2k6h s LEU 71 CO -0.09 -0.79 0.37 0.00 -1.06 0.00 0.00 176.35 174.78 2k6h s ALA 72 N 3.40 3.52 -0.26 1.48 0.00 -0.56 -1.77 121.76 127.58 2k6h s ALA 72 Ca 0.62 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2k6h s ALA 72 Cb -0.27 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.11 2k6h s ALA 72 CO 0.22 -0.88 -0.06 0.42 0.00 0.00 0.00 175.76 175.45 2k6h s ILE 73 N 2.06 2.75 -0.20 0.00 -1.09 -0.15 -3.30 121.20 121.27 2k6h s ILE 73 Ca 0.13 -1.18 -0.25 0.00 -2.23 0.00 0.00 60.65 57.13 2k6h s ILE 73 Cb -0.16 -2.45 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 2k6h s ILE 73 CO 0.11 0.13 0.82 -0.60 -1.23 0.00 0.00 174.94 174.17 2k6h s ARG 74 N 1.28 4.25 0.56 2.79 3.52 -1.22 -1.64 118.95 128.48 2k6h s ARG 74 Ca -0.02 0.97 0.26 0.00 -0.13 0.00 0.00 55.73 56.81 2k6h s ARG 74 Cb -0.17 -3.60 1.49 0.00 -1.56 0.00 0.00 34.95 31.10 2k6h s ARG 74 CO -0.04 -0.39 2.03 0.00 -0.81 0.00 0.00 175.30 176.08 2k6h h MET 75 N 7.47 0.00 -0.07 5.12 -0.00 -1.94 0.27 114.93 125.78 2k6h h MET 75 Ca -0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.37 2k6h h MET 75 Cb 1.12 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.71 2k6h h MET 75 CO 0.85 0.00 -0.23 -0.44 -0.00 0.00 0.00 176.91 177.09 2k6h h ASP 76 N 0.00 0.11 0.00 -0.10 3.32 -1.90 -3.30 116.42 114.55 2k6h h ASP 76 Ca 0.17 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2k6h h ASP 76 Cb 0.78 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2k6h h ASP 76 CO -0.00 0.34 -0.26 0.59 -1.72 0.00 0.00 179.24 178.19 2k6h n ASN 77 N -4.23 1.32 -2.94 6.45 4.13 -0.71 -4.71 115.26 114.57 2k6h n ASN 77 Ca -0.02 -0.27 -0.09 0.00 1.68 0.00 0.00 54.58 55.88 2k6h n ASN 77 Cb 0.31 0.80 0.00 0.00 -1.54 0.00 0.00 39.78 39.35 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 -0.93 -0.65 -4.19 3.41 4.77 0.86 -4.99 117.00 115.26 2k6h n LEU 78 Ca 0.00 -0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 55.50 2k6h n LEU 78 Cb 0.00 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 2k6h n LEU 78 CO 0.00 0.15 -0.41 -0.47 -1.33 0.00 0.00 177.39 175.33 2k6h s TYR 79 N -2.29 1.06 -1.00 -1.77 5.04 -1.26 -4.96 117.35 112.18 2k6h s TYR 79 Ca 0.01 -0.76 -0.19 0.00 -2.44 0.00 0.00 57.07 53.69 2k6h s TYR 79 Cb -0.00 -0.58 0.12 0.00 0.35 0.00 0.00 41.96 41.85 2k6h s TYR 79 CO 0.33 -0.02 1.25 -1.17 -1.34 0.00 0.00 175.55 174.60 2k6h s LEU 80 N -2.81 4.69 0.31 6.97 0.20 -1.26 -3.44 118.68 123.33 2k6h s LEU 80 Ca 0.10 -2.05 0.11 0.00 0.69 0.00 0.00 54.13 52.99 2k6h s LEU 80 Cb 0.01 -2.44 0.49 0.00 -0.43 0.00 0.00 46.19 43.81 2k6h s LEU 80 CO -0.01 -1.12 1.69 -0.37 -0.29 0.00 0.00 176.35 176.24 2k6h h VAL 81 N 5.89 1.38 0.00 1.68 -1.51 -1.94 -3.45 116.25 118.30 2k6h h VAL 81 Ca 0.20 -1.82 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 2k6h h VAL 81 Cb 1.00 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 2k6h h VAL 81 CO 1.20 0.52 0.00 0.61 -1.23 0.00 0.00 177.57 178.67 2k6h n GLY 82 N -0.00 -0.40 3.05 5.19 0.00 -1.26 -1.81 105.19 109.95 2k6h n GLY 82 Ca -0.01 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 2k6h n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k6h s PHE 83 N -2.00 0.89 0.38 1.61 -0.71 -0.50 -1.49 117.98 116.16 2k6h s PHE 83 Ca 0.00 -0.21 -0.24 0.00 -1.04 0.00 0.00 56.93 55.45 2k6h s PHE 83 Cb 0.00 -0.56 -0.10 0.00 -1.21 0.00 0.00 43.02 41.15 2k6h s PHE 83 CO 0.00 -0.01 0.98 0.50 -1.34 0.00 0.00 175.22 175.35 2k6h s ARG 84 N -0.43 4.32 -0.15 1.99 3.52 0.17 -0.27 118.95 128.10 2k6h s ARG 84 Ca 0.03 1.33 -0.06 0.00 -0.13 0.00 0.00 55.73 56.90 2k6h s ARG 84 Cb -0.05 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 2k6h s ARG 84 CO -0.00 0.03 0.05 0.95 -0.81 0.00 0.00 175.30 175.52 2k6h s THR 85 N -1.79 4.69 0.34 4.11 -4.23 -0.73 -1.33 115.64 116.70 2k6h s THR 85 Ca 0.56 -0.08 0.25 0.00 -1.18 0.00 0.00 61.69 61.24 2k6h s THR 85 Cb -0.17 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 70.85 2k6h s THR 85 CO 0.22 0.51 1.98 1.55 -0.54 0.00 0.00 174.62 178.34 2k6h h PRO 86 N 6.18 0.00 -0.69 3.99 0.13 -1.89 -0.61 132.00 139.10 2k6h h PRO 86 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2k6h h PRO 86 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k6h h PRO 86 CO 0.65 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 2k6h n GLY 87 N -0.45 2.48 0.00 1.56 0.00 -1.26 -4.95 105.19 102.57 2k6h n GLY 87 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.50 3.70 0.00 -0.02 0.00 -0.23 -5.20 105.19 103.94 2k6h n GLY 88 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2k6h n GLY 88 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k6h n VAL 89 N 0.00 0.00 -3.01 1.61 0.24 -1.25 -4.70 118.33 111.22 2k6h n VAL 89 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 2k6h n VAL 89 Cb 0.00 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.09 2k6h n VAL 89 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2k6h s TRP 90 N -0.46 3.40 -0.20 6.34 0.51 -1.26 -1.78 118.94 125.49 2k6h s TRP 90 Ca 0.00 1.19 0.01 0.00 -2.12 0.00 0.00 56.10 55.18 2k6h s TRP 90 Cb 0.00 -2.53 0.04 0.00 -0.81 0.00 0.00 33.47 30.17 2k6h s TRP 90 CO 0.00 0.01 -0.11 -1.58 -0.51 0.00 0.00 176.95 174.76 2k6h s TRP 91 N -2.13 2.46 -0.11 -1.98 0.52 0.62 -0.87 118.94 117.46 2k6h s TRP 91 Ca 0.54 -1.63 -0.13 0.00 0.02 0.00 0.00 56.10 54.90 2k6h s TRP 91 Cb -0.10 -1.66 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 2k6h s TRP 91 CO 0.22 -0.75 0.31 -2.00 0.02 0.00 0.00 176.95 174.75 2k6h s GLU 92 N 1.38 4.03 -0.75 4.98 2.12 -0.42 -1.41 118.70 128.63 2k6h s GLU 92 Ca -0.01 0.17 -0.27 0.00 0.36 0.00 0.00 54.97 55.21 2k6h s GLU 92 Cb -0.16 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 30.93 2k6h s GLU 92 CO -0.08 0.45 1.30 -0.06 -0.54 0.00 0.00 175.26 176.33 2k6h s PHE 93 N -0.20 2.27 -3.44 5.30 0.08 -0.75 -1.07 117.98 120.16 2k6h s PHE 93 Ca 0.19 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.18 2k6h s PHE 93 Cb -0.14 -4.62 0.00 0.00 -0.57 0.00 0.00 43.02 37.69 2k6h s PHE 93 CO 0.07 -2.08 0.00 0.41 -0.10 0.00 0.00 175.22 173.52 2k6h n GLY 94 N 5.45 -1.56 3.53 4.36 0.00 -0.85 -4.91 105.19 111.22 2k6h n GLY 94 Ca 0.05 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.51 1.47 -0.36 1.61 2.20 -1.26 -1.02 119.74 120.88 2k6h s LYS 95 Ca 0.00 -1.25 -0.12 0.00 -0.36 0.00 0.00 55.97 54.25 2k6h s LYS 95 Cb 0.00 0.45 0.02 0.00 -1.51 0.00 0.00 37.83 36.79 2k6h s LYS 95 CO 0.00 -0.60 0.37 -0.25 -0.36 0.00 0.00 175.35 174.51 2k6h n ASP 96 N -0.35 -7.68 -0.20 1.43 8.00 -1.26 -4.85 116.55 111.63 2k6h n ASP 96 Ca -0.02 0.77 0.00 0.00 0.71 0.00 0.00 54.79 56.25 2k6h n ASP 96 Cb 0.62 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 36.92 2k6h n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k6h n GLY 97 N 0.15 -0.57 3.69 0.44 0.00 -1.26 -5.05 105.19 102.59 2k6h n GLY 97 Ca 0.05 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 2k6h n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k6h n ASP 98 N 0.00 2.21 -4.88 1.61 5.75 -1.26 -5.02 116.55 114.96 2k6h n ASP 98 Ca 0.00 1.05 -0.34 0.00 -0.01 0.00 0.00 54.79 55.49 2k6h n ASP 98 Cb 0.00 -1.48 -0.05 0.00 -1.03 0.00 0.00 41.12 38.56 2k6h n ASP 98 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2k6h s THR 99 N -1.25 5.31 -0.75 2.12 -1.32 -1.26 -4.99 115.64 113.50 2k6h s THR 99 Ca 0.64 -0.16 0.16 0.00 -1.21 0.00 0.00 61.69 61.13 2k6h s THR 99 Cb -0.49 -3.45 0.15 0.00 -1.51 0.00 0.00 72.50 67.20 2k6h s THR 99 CO 0.55 0.37 1.50 0.00 -2.21 0.00 0.00 174.62 174.83 2k6h n HIS 100 N 1.13 0.34 -0.29 9.09 1.44 -1.26 -3.82 115.22 121.84 2k6h n HIS 100 Ca -0.12 0.14 0.09 0.00 -2.01 0.00 0.00 57.72 55.82 2k6h n HIS 100 Cb 0.53 -0.73 0.32 0.00 0.12 0.00 0.00 29.99 30.22 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 0.00 0.77 0.00 2.39 7.12 -1.88 -0.03 115.31 123.68 2k6h h LEU 101 Ca 0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2k6h h LEU 101 Cb 0.23 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2k6h h LEU 101 CO 0.00 0.42 0.00 0.18 -0.13 0.00 0.00 178.44 178.91 2k6h n LEU 102 N -4.56 0.00 0.00 2.25 7.99 -1.25 -4.93 117.00 116.50 2k6h n LEU 102 Ca 0.17 0.08 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 2k6h n LEU 102 Cb 0.38 -0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 2k6h n LEU 102 CO 0.30 -0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.74 2k6h n GLY 103 N -0.21 1.14 3.93 -0.72 0.00 -0.03 -4.93 105.19 104.37 2k6h n GLY 103 Ca 0.09 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 3.34 -0.40 1.61 2.15 -1.26 -4.78 116.67 113.33 2k6h s ASP 104 Ca 0.00 0.34 -0.28 0.00 0.43 0.00 0.00 52.55 53.04 2k6h s ASP 104 Cb 0.00 -0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 42.15 2k6h s ASP 104 CO 0.00 -2.60 1.82 0.21 -0.17 0.00 0.00 175.17 174.43 2k6h s ASN 105 N -4.84 5.72 1.08 -0.34 3.04 -1.26 -4.81 114.94 113.53 2k6h s ASN 105 Ca 0.72 1.08 -0.18 0.00 0.04 0.00 0.00 52.86 54.52 2k6h s ASN 105 Cb -0.05 -2.53 0.25 0.00 -1.54 0.00 0.00 41.25 37.38 2k6h s ASN 105 CO 0.52 -1.88 1.25 -2.16 -3.04 0.00 0.00 177.10 171.79 2k6h s PRO 106 N 6.02 -0.29 -0.20 0.43 0.04 -1.26 -4.66 135.00 135.08 2k6h s PRO 106 Ca 0.77 -0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.49 2k6h s PRO 106 Cb -0.20 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.64 2k6h s PRO 106 CO 0.31 -3.05 -0.17 1.03 0.04 0.00 0.00 177.00 175.16 2k6h s ARG 107 N -5.74 2.84 0.42 4.56 0.52 -0.05 -4.94 118.95 116.55 2k6h s ARG 107 Ca 0.74 -0.94 -0.25 0.00 -0.52 0.00 0.00 55.73 54.76 2k6h s ARG 107 Cb -0.05 -2.68 -0.08 0.00 0.52 0.00 0.00 34.95 32.66 2k6h s ARG 107 CO 0.54 -0.30 1.24 1.67 0.02 0.00 0.00 175.30 178.48 2k6h s TRP 108 N 1.26 2.88 -0.03 -0.53 1.48 -1.26 -1.30 118.94 121.43 2k6h s TRP 108 Ca 0.02 1.47 0.23 0.00 -1.06 0.00 0.00 56.10 56.76 2k6h s TRP 108 Cb -0.15 -3.55 0.68 0.00 -1.16 0.00 0.00 33.47 29.29 2k6h s TRP 108 CO -0.10 -1.80 1.72 -0.07 -4.06 0.00 0.00 176.95 172.64 2k6h h LEU 109 N 2.51 0.00 0.00 -4.66 3.38 -1.20 -3.46 115.31 111.89 2k6h h LEU 109 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2k6h h LEU 109 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2k6h h LEU 109 CO 0.62 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.98 2k6h n GLY 110 N 0.55 0.76 3.31 0.83 0.00 -0.18 -5.02 105.19 105.44 2k6h n GLY 110 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.26 0.69 0.25 1.61 0.08 -1.11 -4.74 117.98 112.51 2k6h s PHE 111 Ca 0.00 -1.02 0.11 0.00 0.12 0.00 0.00 56.93 56.15 2k6h s PHE 111 Cb 0.00 -0.23 -0.05 0.00 -0.57 0.00 0.00 43.02 42.17 2k6h s PHE 111 CO 0.00 -0.71 -0.19 0.20 -0.10 0.00 0.00 175.22 174.41 2k6h s GLY 112 N -3.05 1.77 -1.20 4.36 0.00 -1.26 -2.00 107.32 105.94 2k6h s GLY 112 Ca 0.26 -1.80 -0.13 0.00 0.00 0.00 0.00 44.72 43.05 2k6h s GLY 112 CO 0.05 -1.89 1.42 0.61 0.00 0.00 0.00 173.10 173.30 2k6h n GLY 113 N -0.45 3.63 3.10 0.20 0.00 -1.26 -4.75 105.19 105.66 2k6h n GLY 113 Ca -0.07 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 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 0.98 0.53 0.44 1.61 3.03 -1.26 -5.00 118.95 119.28 2k6h s ARG 114 Ca 0.41 -0.67 0.11 0.00 2.03 0.00 0.00 55.73 57.61 2k6h s ARG 114 Cb -0.03 0.21 0.99 0.00 -1.03 0.00 0.00 34.95 35.09 2k6h s ARG 114 CO -0.01 -0.13 2.06 0.10 -1.13 0.00 0.00 175.30 176.20 2k6h h TYR 115 N 3.91 0.28 -0.50 5.89 -0.00 -1.91 -1.39 116.97 123.24 2k6h h TYR 115 Ca -0.32 -0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.49 2k6h h TYR 115 Cb 1.19 -0.09 -0.03 0.00 0.00 0.00 0.00 36.73 37.80 2k6h h TYR 115 CO 0.57 0.22 0.34 0.37 -0.00 0.00 0.00 178.16 179.66 2k6h h GLN 116 N 0.29 0.34 -0.28 0.10 4.15 -1.87 -2.03 115.11 115.81 2k6h h GLN 116 Ca 0.08 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.35 2k6h h GLN 116 Cb 0.05 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2k6h h GLN 116 CO -0.01 0.22 -0.35 0.22 -1.93 0.00 0.00 178.83 176.99 2k6h h ASP 117 N 0.35 0.64 0.00 -0.69 1.82 -1.54 -2.92 116.42 114.08 2k6h h ASP 117 Ca 0.23 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2k6h h ASP 117 Cb 0.44 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2k6h h ASP 117 CO -0.05 0.94 -0.01 -0.07 -1.61 0.00 0.00 179.24 178.44 2k6h h LEU 118 N 0.52 0.00 -0.09 2.28 3.38 -1.44 -3.44 115.31 116.51 2k6h h LEU 118 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2k6h h LEU 118 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2k6h h LEU 118 CO 0.07 0.45 0.00 2.30 0.09 0.00 0.00 178.44 181.35 2k6h n ILE 119 N -4.47 0.00 0.00 1.22 -0.00 -1.09 -5.08 119.36 109.94 2k6h n ILE 119 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 2k6h n ILE 119 Cb 0.00 1.47 0.00 0.00 -0.00 0.00 0.00 39.64 41.11 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 0.07 2.22 1.23 3.28 0.00 -1.10 -4.49 105.19 106.41 2k6h n GLY 120 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2k6h n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k6h n ASN 121 N 4.20 4.12 -4.14 1.61 6.94 -1.26 -4.38 115.26 122.35 2k6h n ASN 121 Ca 0.00 -2.38 -0.24 0.00 -0.02 0.00 0.00 54.58 51.94 2k6h n ASN 121 Cb 0.00 -0.48 -0.15 0.00 -2.36 0.00 0.00 39.78 36.79 2k6h n ASN 121 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2k6h s LYS 122 N -1.71 1.28 0.85 -3.83 2.47 -1.26 -5.16 119.74 112.38 2k6h s LYS 122 Ca 0.43 -0.58 -0.11 0.00 -1.56 0.00 0.00 55.97 54.15 2k6h s LYS 122 Cb 0.27 -1.24 0.15 0.00 -1.46 0.00 0.00 37.83 35.55 2k6h s LYS 122 CO 0.21 0.34 1.19 0.20 0.16 0.00 0.00 175.35 177.45 2k6h s GLY 123 N -0.42 1.74 0.00 5.54 0.00 -1.26 -4.80 107.32 108.12 2k6h s GLY 123 Ca 0.06 -1.21 0.15 0.00 0.00 0.00 0.00 44.72 43.72 2k6h s GLY 123 CO -0.00 -0.57 1.41 1.47 0.00 0.00 0.00 173.10 175.40 2k6h n LEU 124 N -3.39 1.42 0.04 0.66 -0.00 -1.26 -4.12 117.00 110.36 2k6h n LEU 124 Ca 0.13 -0.65 0.08 0.00 -0.00 0.00 0.00 56.01 55.57 2k6h n LEU 124 Cb 0.60 -0.13 0.52 0.00 -0.00 0.00 0.00 43.42 44.40 2k6h n LEU 124 CO 0.47 0.33 1.15 -0.08 -0.00 0.00 0.00 177.39 179.26 2k6h h GLU 125 N 1.72 0.33 0.00 1.47 4.81 -1.90 -2.96 114.58 118.05 2k6h h GLU 125 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k6h h GLU 125 Cb 0.38 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2k6h h GLU 125 CO 0.00 0.22 0.00 0.25 -0.73 0.00 0.00 179.01 178.75 2k6h n THR 126 N -4.48 0.89 -3.84 0.32 -2.24 -1.26 -4.57 114.28 99.10 2k6h n THR 126 Ca 0.04 0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 61.73 2k6h n THR 126 Cb 0.19 -1.18 -0.13 0.00 -2.10 0.00 0.00 70.33 67.12 2k6h n THR 126 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2k6h s VAL 127 N -3.27 4.04 0.58 2.28 -7.23 -1.12 -5.09 120.40 110.58 2k6h s VAL 127 Ca 0.04 -0.27 -0.20 0.00 -1.81 0.00 0.00 61.98 59.75 2k6h s VAL 127 Cb 0.09 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2k6h s VAL 127 CO 0.35 0.37 1.24 -0.89 -0.31 0.00 0.00 175.10 175.87 2k6h s THR 128 N 1.47 2.50 -0.11 5.32 2.01 -1.26 -4.82 115.64 120.75 2k6h s THR 128 Ca 0.05 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 2k6h s THR 128 Cb -0.15 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 2k6h s THR 128 CO 0.02 -0.05 -0.07 -0.04 -0.69 0.00 0.00 174.62 173.79 2k6h s MET 129 N -3.18 3.19 0.00 4.92 -1.94 0.10 -4.94 119.30 117.44 2k6h s MET 129 Ca 0.75 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 2k6h s MET 129 Cb -0.33 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 33.79 2k6h s MET 129 CO 0.37 0.44 0.00 0.41 -0.01 0.00 0.00 175.02 176.23 2k6h n GLY 130 N 2.90 0.30 0.18 -0.03 0.00 -1.26 -1.63 105.19 105.65 2k6h n GLY 130 Ca -0.18 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 0.55 -0.99 1.61 -0.00 -1.75 -1.69 114.38 112.12 2k6h h ARG 131 Ca 0.00 -0.05 0.03 0.00 -0.00 0.00 0.00 59.98 59.96 2k6h h ARG 131 Cb 0.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.97 29.80 2k6h h ARG 131 CO 0.00 0.40 0.65 0.00 -0.00 0.00 0.00 179.97 181.02 2k6h h ALA 132 N 1.11 1.34 -0.48 0.08 0.00 -1.93 -1.16 119.26 118.23 2k6h h ALA 132 Ca 0.15 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2k6h h ALA 132 Cb -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2k6h h ALA 132 CO -0.03 0.57 -0.17 0.93 0.00 0.00 0.00 179.25 180.56 2k6h h GLU 133 N 1.27 0.93 0.23 0.00 4.39 -1.75 0.20 114.58 119.85 2k6h h GLU 133 Ca 0.38 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2k6h h GLU 133 Cb -0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2k6h h GLU 133 CO -0.11 1.02 -0.19 1.98 -1.16 0.00 0.00 179.01 180.55 2k6h h MET 134 N 0.82 -0.42 0.05 2.33 4.05 -0.57 -1.78 114.93 119.40 2k6h h MET 134 Ca 0.12 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 2k6h h MET 134 Cb 0.72 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.57 2k6h h MET 134 CO 0.05 -0.28 -0.32 1.15 0.23 0.00 0.00 176.91 177.74 2k6h h THR 135 N -0.44 0.30 -0.57 -0.77 2.02 -0.91 -0.92 112.91 111.63 2k6h h THR 135 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 2k6h h THR 135 Cb 0.39 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2k6h h THR 135 CO -0.02 0.00 0.30 0.03 0.37 0.00 0.00 175.52 176.19 2k6h h ARG 136 N -0.51 0.55 -0.19 6.66 3.08 -0.91 -0.38 114.38 122.68 2k6h h ARG 136 Ca 0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2k6h h ARG 136 Cb 0.57 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2k6h h ARG 136 CO -0.24 0.36 0.08 0.00 -1.07 0.00 0.00 179.97 179.11 2k6h h ALA 137 N 1.31 0.25 -0.25 0.04 0.00 -1.00 -1.45 119.26 118.16 2k6h h ALA 137 Ca 0.25 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k6h h ALA 137 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k6h h ALA 137 CO -0.17 -0.17 0.11 0.28 0.00 0.00 0.00 179.25 179.30 2k6h h VAL 138 N 0.16 0.97 -0.40 0.00 2.07 -0.70 -1.35 116.25 117.00 2k6h h VAL 138 Ca 0.06 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2k6h h VAL 138 Cb 0.17 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2k6h h VAL 138 CO -0.01 0.04 0.24 0.78 0.02 0.00 0.00 177.57 178.65 2k6h h ASN 139 N 0.23 0.40 0.13 0.57 2.35 -0.96 -0.72 115.58 117.59 2k6h h ASN 139 Ca 0.11 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2k6h h ASN 139 Cb 0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2k6h h ASN 139 CO -0.09 0.29 -0.12 -0.78 -1.65 0.00 0.00 177.43 175.08 2k6h h ASP 140 N 0.49 -0.33 -0.48 5.81 3.58 -1.10 -1.54 116.42 122.87 2k6h h ASP 140 Ca 0.15 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2k6h h ASP 140 Cb -0.02 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2k6h h ASP 140 CO -0.06 -0.19 0.27 -0.07 -2.88 0.00 0.00 179.24 176.31 2k6h h LEU 141 N -0.28 0.61 0.24 2.28 3.38 -0.88 -2.71 115.31 117.95 2k6h h LEU 141 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2k6h h LEU 141 Cb 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2k6h h LEU 141 CO -0.03 0.50 -0.11 0.00 0.09 0.00 0.00 178.44 178.88 2k6h h ALA 142 N 1.61 -0.32 0.00 1.53 0.00 -0.97 -3.37 119.26 117.74 2k6h h ALA 142 Ca 0.18 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k6h h ALA 142 Cb 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k6h h ALA 142 CO -0.03 -0.48 -0.24 1.57 0.00 0.00 0.00 179.25 180.07 2k6h h LYS 143 N -0.71 0.00 -6.83 0.00 2.10 -0.97 -3.44 116.57 106.71 2k6h h LYS 143 Ca -0.03 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.09 2k6h h LYS 143 Cb 0.49 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 31.90 2k6h h LYS 143 CO 0.05 0.24 0.85 0.15 -2.00 0.00 0.00 179.45 178.75 2k6h s LYS 144 N -3.45 4.13 0.00 0.07 1.02 -1.07 -2.66 119.74 117.78 2k6h s LYS 144 Ca 0.02 2.56 0.00 0.00 0.02 0.00 0.00 55.97 58.57 2k6h s LYS 144 Cb 0.09 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 2k6h s LYS 144 CO 0.66 -0.59 0.00 0.36 -0.92 0.00 0.00 175.35 174.85 2k6h n LYS 145 N 1.77 0.00 0.03 1.68 2.85 -1.26 -4.87 118.16 118.36 2k6h n LYS 145 Ca 0.06 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.31 2k6h n LYS 145 Cb 0.38 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.75 2k6h n LYS 145 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2k6h h LYS 146 N 0.00 -0.07 -7.14 -1.58 3.64 -1.88 -3.44 116.57 106.09 2k6h h LYS 146 Ca 0.00 0.01 -0.50 0.00 -1.27 0.00 0.00 60.65 58.89 2k6h h LYS 146 Cb 0.00 0.02 0.08 0.00 -0.41 0.00 0.00 32.23 31.91 2k6h h LYS 146 CO 0.00 -0.05 0.40 -1.64 -2.27 0.00 0.00 179.45 175.89 2k6h s MET 147 N -2.08 3.21 -0.44 1.90 -1.94 -1.26 -5.04 119.30 113.66 2k6h s MET 147 Ca -0.01 1.43 0.05 0.00 -1.71 0.00 0.00 55.69 55.44 2k6h s MET 147 Cb 0.00 -2.00 0.18 0.00 2.01 0.00 0.00 34.83 35.01 2k6h s MET 147 CO 0.03 -0.93 0.46 -1.17 -0.01 0.00 0.00 175.02 173.41 2k6h s LEU 148 N -4.26 0.48 -0.45 -0.03 2.96 -1.26 -4.54 118.68 111.59 2k6h s LEU 148 Ca 0.68 -2.63 0.07 0.00 -0.22 0.00 0.00 54.13 52.03 2k6h s LEU 148 Cb -0.20 0.31 0.23 0.00 0.50 0.00 0.00 46.19 47.02 2k6h s LEU 148 CO 0.33 -0.13 0.65 -1.84 -1.32 0.00 0.00 176.35 174.03 2k6h n GLU 149 N 2.90 0.62 0.00 1.98 0.28 -1.26 -5.00 120.64 120.16 2k6h n GLU 149 Ca 0.26 -2.54 0.06 0.00 -0.16 0.00 0.00 57.16 54.77 2k6h n GLU 149 Cb 0.50 -1.41 0.27 0.00 1.43 0.00 0.00 31.44 32.23 2k6h n GLU 149 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2k6h n PRO 150 N 1.94 0.06 0.26 3.44 -0.02 -1.26 -3.91 135.00 135.51 2k6h n PRO 150 Ca 0.18 0.26 0.17 0.00 -2.02 0.00 0.00 63.50 62.08 2k6h n PRO 150 Cb 0.56 -1.50 0.66 0.00 -0.02 0.00 0.00 33.50 33.20 2k6h n PRO 150 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2k6h h GLN 151 N 0.00 0.00 0.00 -0.52 4.15 -2.01 -3.40 115.11 113.33 2k6h h GLN 151 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2k6h h GLN 151 Cb 0.17 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.88 2k6h h GLN 151 CO 0.00 0.00 0.04 0.00 -1.93 0.00 0.00 178.83 176.94 2k6h n ALA 152 N -2.06 -0.29 0.39 3.38 0.00 -1.25 -4.91 120.51 115.77 2k6h n ALA 152 Ca 0.01 -0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.25 2k6h n ALA 152 Cb 0.30 -0.01 0.13 0.00 0.00 0.00 0.00 19.45 19.87 2k6h n ALA 152 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k6h n ASP 153 N -3.16 0.00 -0.21 0.00 5.75 -1.26 -3.18 116.55 114.50 2k6h n ASP 153 Ca 0.02 -0.25 0.26 0.00 -0.01 0.00 0.00 54.79 54.81 2k6h n ASP 153 Cb 0.08 0.00 0.67 0.00 -1.03 0.00 0.00 41.12 40.83 2k6h n ASP 153 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2k6h h THR 154 N 0.00 0.57 -0.49 2.12 1.35 -1.91 0.99 112.91 115.55 2k6h h THR 154 Ca 0.00 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.81 2k6h h THR 154 Cb 0.00 0.45 -0.02 0.00 -1.73 0.00 0.00 68.15 66.85 2k6h h THR 154 CO 0.00 0.02 0.24 0.11 -0.25 0.00 0.00 175.52 175.64 2k6h h LYS 155 N 0.11 0.70 -0.66 4.72 1.79 -1.76 -2.79 116.57 118.68 2k6h h LYS 155 Ca 0.45 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.74 2k6h h LYS 155 Cb 1.60 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 32.09 2k6h h LYS 155 CO -0.06 0.58 0.10 0.77 -1.08 0.00 0.00 179.45 179.75 2k6h h SER 156 N 0.64 1.05 -0.26 0.86 0.02 -1.12 -2.93 113.55 111.81 2k6h h SER 156 Ca 0.17 -0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2k6h h SER 156 Cb 0.10 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 2k6h h SER 156 CO -0.02 1.05 -0.12 0.11 -1.14 0.00 0.00 176.83 176.71 2k6h h LYS 157 N 1.02 -0.07 -0.33 3.45 1.57 -1.04 -0.94 116.57 120.23 2k6h h LYS 157 Ca 0.20 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2k6h h LYS 157 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2k6h h LYS 157 CO 0.01 -0.05 -0.19 1.37 -0.57 0.00 0.00 179.45 180.03 2k6h h LEU 158 N -0.08 0.60 -0.47 2.94 8.10 -1.48 -2.87 115.31 122.05 2k6h h LEU 158 Ca 0.14 -0.19 -0.07 0.00 0.11 0.00 0.00 57.88 57.87 2k6h h LEU 158 Cb 0.28 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.32 2k6h h LEU 158 CO -0.31 0.80 0.02 0.58 -4.11 0.00 0.00 178.44 175.41 2k6h h VAL 159 N 0.55 1.26 -0.75 0.15 2.07 -1.21 -2.58 116.25 115.73 2k6h h VAL 159 Ca 0.09 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2k6h h VAL 159 Cb 0.62 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2k6h h VAL 159 CO 0.04 0.36 0.44 0.07 0.02 0.00 0.00 177.57 178.50 2k6h h LYS 160 N 0.68 1.03 0.07 1.57 2.10 -1.08 -2.64 116.57 118.30 2k6h h LYS 160 Ca 0.14 -0.10 0.01 0.00 -2.00 0.00 0.00 60.65 58.70 2k6h h LYS 160 Cb 0.48 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 2k6h h LYS 160 CO 0.02 0.74 -0.14 -0.07 -2.00 0.00 0.00 179.45 177.99 2k6h h LEU 161 N 1.03 -0.40 -0.44 7.07 3.38 -1.30 -0.01 115.31 124.63 2k6h h LEU 161 Ca 0.27 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2k6h h LEU 161 Cb -0.01 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k6h h LEU 161 CO -0.05 -0.21 0.23 1.62 0.09 0.00 0.00 178.44 180.12 2k6h h VAL 162 N -0.28 1.17 -0.21 1.22 3.04 -1.30 -1.64 116.25 118.26 2k6h h VAL 162 Ca 0.03 -0.45 -0.14 0.00 -1.01 0.00 0.00 66.70 65.12 2k6h h VAL 162 Cb 0.30 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 2k6h h VAL 162 CO -0.09 0.18 -0.47 -0.37 -1.01 0.00 0.00 177.57 175.81 2k6h h VAL 163 N 0.58 1.31 0.24 1.51 -1.51 -1.32 0.24 116.25 117.30 2k6h h VAL 163 Ca 0.16 -1.67 -0.01 0.00 -1.23 0.00 0.00 66.70 63.94 2k6h h VAL 163 Cb 0.08 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2k6h h VAL 163 CO -0.02 0.52 -0.12 0.24 -1.23 0.00 0.00 177.57 176.96 2k6h h MET 164 N 0.43 -0.31 0.00 5.19 2.07 -0.59 -3.30 114.93 118.41 2k6h h MET 164 Ca 0.03 0.02 -0.31 0.00 -2.07 0.00 0.00 59.70 57.37 2k6h h MET 164 Cb 0.98 0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 30.73 2k6h h MET 164 CO 0.09 -0.21 -1.80 0.28 1.07 0.00 0.00 176.91 176.34 2k6h n VAL 165 N -3.02 1.52 0.30 -2.22 0.31 -0.65 -3.80 118.33 110.77 2k6h n VAL 165 Ca -0.04 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 63.97 2k6h n VAL 165 Cb 0.13 -2.01 -0.08 0.00 -0.91 0.00 0.00 33.84 30.97 2k6h n VAL 165 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k6h h GLU 167 N -1.02 0.00 -0.37 0.00 4.39 -1.11 -2.54 114.58 113.94 2k6h h GLU 167 Ca -0.08 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.73 2k6h h GLU 167 Cb 0.65 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2k6h h GLU 167 CO 0.13 0.00 0.40 0.78 -1.16 0.00 0.00 179.01 179.16 2k6h h GLY 168 N 2.14 0.00 1.67 -3.84 0.00 -1.57 0.11 103.07 101.58 2k6h h GLY 168 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2k6h h GLY 168 CO 0.00 0.00 -0.47 -2.00 0.00 0.00 0.00 176.54 174.07 2k6h h LEU 169 N 0.00 0.39 0.00 3.11 5.85 -1.51 -3.34 115.31 119.81 2k6h h LEU 169 Ca 0.17 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2k6h h LEU 169 Cb 0.98 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2k6h h LEU 169 CO -0.00 0.80 -0.74 0.08 -0.34 0.00 0.00 178.44 178.25 2k6h h ARG 170 N 0.29 0.00 -5.61 1.25 -0.00 -1.46 -3.42 114.38 105.44 2k6h h ARG 170 Ca 0.02 0.00 -0.65 0.00 -0.00 0.00 0.00 59.98 59.34 2k6h h ARG 170 Cb 0.94 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 30.79 2k6h h ARG 170 CO 0.08 0.40 1.42 -0.06 -0.00 0.00 0.00 179.97 181.80 2k6h s PHE 171 N -2.24 2.85 0.51 4.08 0.40 0.26 -0.61 117.98 123.23 2k6h s PHE 171 Ca -0.19 -1.28 0.25 0.00 -0.60 0.00 0.00 56.93 55.12 2k6h s PHE 171 Cb 0.03 -4.55 1.36 0.00 0.51 0.00 0.00 43.02 40.37 2k6h s PHE 171 CO 0.36 -1.73 1.95 -0.97 0.70 0.00 0.00 175.22 175.52 2k6h h ASN 172 N 8.85 0.08 -0.71 1.36 -0.73 -1.46 0.38 115.58 123.35 2k6h h ASN 172 Ca 0.24 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.39 2k6h h ASN 172 Cb 0.97 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.52 2k6h h ASN 172 CO 1.32 0.04 0.36 0.00 -0.37 0.00 0.00 177.43 178.77 2k6h h THR 173 N 0.08 1.23 0.02 -3.57 1.03 -1.54 -0.99 112.91 109.17 2k6h h THR 173 Ca 0.33 -0.63 -0.22 0.00 -0.01 0.00 0.00 66.41 65.87 2k6h h THR 173 Cb 1.20 0.29 0.02 0.00 -1.07 0.00 0.00 68.15 68.59 2k6h h THR 173 CO -0.03 0.27 -0.89 1.62 -0.01 0.00 0.00 175.52 176.48 2k6h h VAL 174 N 1.03 1.35 -0.07 0.00 3.04 -1.22 -2.69 116.25 117.69 2k6h h VAL 174 Ca 0.25 -2.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.72 2k6h h VAL 174 Cb 0.09 2.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2k6h h VAL 174 CO -0.03 0.67 0.04 0.77 -1.01 0.00 0.00 177.57 178.01 2k6h h SER 175 N 0.15 0.07 -0.63 3.17 4.64 -1.37 -0.02 113.55 119.57 2k6h h SER 175 Ca -0.12 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 2k6h h SER 175 Cb 1.58 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.62 2k6h h SER 175 CO 0.17 0.05 0.41 0.08 -0.87 0.00 0.00 176.83 176.68 2k6h h ARG 176 N 0.09 0.72 0.22 4.77 0.11 -1.25 0.36 114.38 119.40 2k6h h ARG 176 Ca 0.03 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2k6h h ARG 176 Cb -0.01 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 30.91 2k6h h ARG 176 CO -0.01 0.48 -0.11 1.15 0.10 0.00 0.00 179.97 181.58 2k6h h THR 177 N 0.74 0.83 -0.18 0.08 2.02 -1.02 -3.02 112.91 112.37 2k6h h THR 177 Ca 0.25 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 2k6h h THR 177 Cb 0.08 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2k6h h THR 177 CO -0.07 0.17 -0.05 1.62 0.37 0.00 0.00 175.52 177.56 2k6h h VAL 178 N -0.74 1.15 -0.91 3.16 3.04 -0.77 -2.52 116.25 118.65 2k6h h VAL 178 Ca -0.03 -0.60 0.05 0.00 -1.01 0.00 0.00 66.70 65.11 2k6h h VAL 178 Cb 0.50 1.06 -0.06 0.00 -2.01 0.00 0.00 31.29 30.79 2k6h h VAL 178 CO 0.05 0.19 0.60 -0.78 -1.01 0.00 0.00 177.57 176.62 2k6h h ASP 179 N 0.26 0.95 -0.40 3.17 3.58 -0.88 0.31 116.42 123.42 2k6h h ASP 179 Ca 0.06 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2k6h h ASP 179 Cb 0.26 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2k6h h ASP 179 CO 0.01 0.63 0.22 0.00 -2.88 0.00 0.00 179.24 177.22 2k6h h ALA 180 N 1.49 0.51 -0.43 -0.78 0.00 -1.32 -1.91 119.26 116.82 2k6h h ALA 180 Ca 0.38 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 2k6h h ALA 180 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k6h h ALA 180 CO -0.13 0.04 -0.24 0.78 0.00 0.00 0.00 179.25 179.70 2k6h h GLY 181 N 0.51 0.96 0.99 0.00 0.00 -1.14 -3.17 103.07 101.22 2k6h h GLY 181 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2k6h h GLY 181 CO -0.02 0.78 0.14 -2.75 0.00 0.00 0.00 176.54 174.69 2k6h h PHE 182 N 0.76 0.29 0.00 5.60 3.57 -0.31 -2.11 116.94 124.74 2k6h h PHE 182 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2k6h h PHE 182 Cb 0.80 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2k6h h PHE 182 CO 0.05 0.20 0.00 0.09 -2.23 0.00 0.00 178.31 176.42 2k6h n ASN 183 N -4.92 0.64 -4.19 0.41 3.02 -0.73 -4.23 115.26 105.26 2k6h n ASN 183 Ca -0.03 -1.82 -0.15 0.00 -0.03 0.00 0.00 54.58 52.55 2k6h n ASN 183 Cb 0.04 -0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 38.78 2k6h n ASN 183 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2k6h s SER 184 N -0.39 1.54 0.24 6.41 0.15 -0.79 -5.04 113.70 115.82 2k6h s SER 184 Ca 0.00 -0.83 0.15 0.00 0.70 0.00 0.00 55.95 55.98 2k6h s SER 184 Cb 0.00 -0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2k6h s SER 184 CO 0.00 -0.25 1.33 0.06 1.20 0.00 0.00 173.24 175.58 2k6h h GLN 185 N 3.50 0.00 0.00 5.44 3.07 -1.87 -3.36 115.11 121.90 2k6h h GLN 185 Ca -0.38 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.25 2k6h h GLN 185 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.73 2k6h h GLN 185 CO 0.53 0.46 -0.57 0.45 0.09 0.00 0.00 178.83 179.80 2k6h h HIS 186 N 0.00 0.00 -1.45 0.06 3.86 -1.96 -3.50 115.15 112.15 2k6h h HIS 186 Ca -0.03 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.29 2k6h h HIS 186 Cb 1.42 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.86 2k6h h HIS 186 CO 0.00 0.56 -0.15 0.41 0.86 0.00 0.00 177.93 179.61 2k6h n GLY 187 N 1.24 -1.76 3.34 2.45 0.00 -1.25 -4.97 105.19 104.24 2k6h n GLY 187 Ca 0.02 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 2k6h n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k6h s VAL 188 N -0.84 0.57 -0.40 1.61 -7.23 -0.64 -4.73 120.40 108.73 2k6h s VAL 188 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2k6h s VAL 188 Cb 0.00 -2.62 0.13 0.00 0.56 0.00 0.00 36.38 34.45 2k6h s VAL 188 CO 0.00 0.00 0.21 0.42 -0.31 0.00 0.00 175.10 175.42 2k6h s THR 189 N -3.67 1.05 0.32 5.32 -4.23 -1.26 -0.72 115.64 112.44 2k6h s THR 189 Ca 0.37 -2.20 -0.29 0.00 -1.18 0.00 0.00 61.69 58.39 2k6h s THR 189 Cb 0.07 -1.75 -0.11 0.00 1.34 0.00 0.00 72.50 72.05 2k6h s THR 189 CO 0.14 -0.88 1.56 -1.48 -0.54 0.00 0.00 174.62 173.42 2k6h s LEU 190 N 0.70 4.34 0.75 4.79 0.05 -1.26 -4.94 118.68 123.10 2k6h s LEU 190 Ca 0.17 2.98 -0.12 0.00 0.05 0.00 0.00 54.13 57.21 2k6h s LEU 190 Cb -0.23 -3.64 0.04 0.00 -2.05 0.00 0.00 46.19 40.31 2k6h s LEU 190 CO -0.03 -0.90 1.11 0.28 -0.55 0.00 0.00 176.35 176.25 2k6h s THR 191 N -0.33 3.17 0.40 5.48 -1.32 -1.26 -4.25 115.64 117.53 2k6h s THR 191 Ca 0.60 0.44 0.13 0.00 -1.21 0.00 0.00 61.69 61.65 2k6h s THR 191 Cb -0.47 -2.90 0.34 0.00 -1.51 0.00 0.00 72.50 67.95 2k6h s THR 191 CO 0.52 -0.44 1.90 0.58 -2.21 0.00 0.00 174.62 174.97 2k6h h VAL 192 N -0.79 0.81 -0.56 5.08 2.07 -1.96 -0.20 116.25 120.70 2k6h h VAL 192 Ca -0.45 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2k6h h VAL 192 Cb 1.24 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2k6h h VAL 192 CO 0.51 0.10 0.24 0.74 0.02 0.00 0.00 177.57 179.18 2k6h h THR 193 N 0.53 1.20 -0.07 2.57 2.02 -1.95 0.14 112.91 117.34 2k6h h THR 193 Ca 0.40 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2k6h h THR 193 Cb 0.79 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2k6h h THR 193 CO -0.15 0.24 -0.19 1.56 0.37 0.00 0.00 175.52 177.35 2k6h h GLN 194 N 0.79 0.25 -0.62 6.66 4.20 -1.49 -3.19 115.11 121.70 2k6h h GLN 194 Ca 0.19 -0.17 0.12 0.00 0.06 0.00 0.00 58.65 58.85 2k6h h GLN 194 Cb 0.13 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.85 2k6h h GLN 194 CO -0.02 0.79 0.13 0.78 -0.67 0.00 0.00 178.83 179.84 2k6h h GLY 195 N -0.26 0.80 0.85 3.46 0.00 -0.22 -2.29 103.07 105.41 2k6h h GLY 195 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2k6h h GLY 195 CO 0.04 -0.13 -0.11 0.50 0.00 0.00 0.00 176.54 176.84 2k6h h LYS 196 N 0.25 -0.30 -0.53 4.80 1.57 -0.87 -3.13 116.57 118.37 2k6h h LYS 196 Ca 0.33 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2k6h h LYS 196 Cb 0.51 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2k6h h LYS 196 CO -0.43 -0.08 0.34 -0.56 -0.57 0.00 0.00 179.45 178.15 2k6h h GLN 197 N -0.46 0.70 0.00 3.15 3.07 -1.44 -1.40 115.11 118.72 2k6h h GLN 197 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2k6h h GLN 197 Cb 0.35 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2k6h h GLN 197 CO 0.05 0.47 0.00 1.33 0.09 0.00 0.00 178.83 180.77 2k6h n VAL 198 N -4.45 0.72 -0.10 1.86 0.24 -0.90 -2.74 118.33 112.96 2k6h n VAL 198 Ca 0.05 0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.35 2k6h n VAL 198 Cb 0.06 -0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 31.50 2k6h n VAL 198 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2k6h h GLN 199 N 0.00 0.91 -2.20 7.34 1.08 -1.23 -3.40 115.11 117.61 2k6h h GLN 199 Ca 0.00 -0.53 -0.59 0.00 -1.45 0.00 0.00 58.65 56.07 2k6h h GLN 199 Cb 0.38 0.05 -0.42 0.00 -0.05 0.00 0.00 27.48 27.43 2k6h h GLN 199 CO 0.00 1.18 -0.63 1.17 -0.95 0.00 0.00 178.83 179.60 2k6h n LYS 200 N -4.03 2.57 0.30 1.46 3.00 -1.11 -4.88 118.16 115.47 2k6h n LYS 200 Ca -0.03 -4.63 0.17 0.00 -0.00 0.00 0.00 58.31 53.81 2k6h n LYS 200 Cb 0.59 -2.20 0.97 0.00 0.00 0.00 0.00 35.03 34.39 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 3.91 0.00 -0.23 5.64 7.01 -1.79 -1.02 115.95 129.47 2k6h h TRP 201 Ca 0.18 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 2k6h h TRP 201 Cb 0.64 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 2k6h h TRP 201 CO 0.72 0.00 -0.05 0.22 -2.79 0.00 0.00 178.44 176.54 2k6h h ASP 202 N 0.00 0.33 -0.38 2.65 3.58 -1.94 0.81 116.42 121.46 2k6h h ASP 202 Ca 0.01 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 2k6h h ASP 202 Cb 0.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2k6h h ASP 202 CO -0.00 0.43 -0.09 -0.09 -2.88 0.00 0.00 179.24 176.61 2k6h h ARG 203 N 0.34 0.74 -0.06 0.28 9.65 -1.58 -2.34 114.38 121.41 2k6h h ARG 203 Ca 0.07 -0.28 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2k6h h ARG 203 Cb 0.31 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2k6h h ARG 203 CO 0.01 0.88 0.04 0.82 2.80 0.00 0.00 179.97 184.52 2k6h h ILE 204 N 0.55 1.05 0.06 1.20 5.03 -1.33 -1.77 117.51 122.30 2k6h h ILE 204 Ca 0.10 -0.15 -0.00 0.00 -0.12 0.00 0.00 64.86 64.69 2k6h h ILE 204 Cb 0.61 1.04 0.00 0.00 -3.03 0.00 0.00 36.82 35.44 2k6h h ILE 204 CO 0.04 0.05 -0.03 0.77 -0.68 0.00 0.00 178.15 178.30 2k6h h SER 205 N 0.04 -0.07 -0.62 1.72 4.64 -0.81 -1.31 113.55 117.15 2k6h h SER 205 Ca 0.02 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2k6h h SER 205 Cb 0.04 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2k6h h SER 205 CO -0.00 0.00 0.39 0.07 -0.87 0.00 0.00 176.83 176.42 2k6h h LYS 206 N -0.13 0.84 0.44 4.77 2.10 -1.42 -0.53 116.57 122.64 2k6h h LYS 206 Ca -0.01 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 2k6h h LYS 206 Cb 0.11 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2k6h h LYS 206 CO 0.01 0.58 -0.21 0.00 -2.00 0.00 0.00 179.45 177.83 2k6h h ALA 207 N 1.57 -0.59 -0.85 0.07 0.00 -0.74 0.80 119.26 119.53 2k6h h ALA 207 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k6h h ALA 207 Cb -0.06 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2k6h h ALA 207 CO -0.05 -0.78 0.48 0.00 0.00 0.00 0.00 179.25 178.90 2k6h h ALA 208 N -0.17 1.25 -0.17 0.00 0.00 -1.01 -0.45 119.26 118.72 2k6h h ALA 208 Ca -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k6h h ALA 208 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k6h h ALA 208 CO 0.10 0.62 0.08 0.35 0.00 0.00 0.00 179.25 180.40 2k6h h PHE 209 N 1.18 0.24 -0.46 0.00 3.04 -1.02 -2.71 116.94 117.21 2k6h h PHE 209 Ca 0.30 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.16 2k6h h PHE 209 Cb 0.00 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.42 2k6h h PHE 209 CO 0.01 0.27 -0.05 1.49 -2.02 0.00 0.00 178.31 178.01 2k6h h GLU 210 N 0.15 0.78 0.00 1.11 4.81 -0.40 -1.12 114.58 119.91 2k6h h GLU 210 Ca 0.06 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2k6h h GLU 210 Cb 0.11 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2k6h h GLU 210 CO -0.01 0.82 0.00 0.91 -0.73 0.00 0.00 179.01 180.01 2k6h n TRP 211 N -4.19 0.00 0.09 0.92 8.01 -0.22 -1.68 117.44 120.37 2k6h n TRP 211 Ca 0.02 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.00 2k6h n TRP 211 Cb 0.33 -0.43 -0.15 0.00 -2.01 0.00 0.00 31.31 29.05 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 2.45 0.09 -0.47 6.99 0.00 -0.88 -3.26 119.26 124.18 2k6h h ALA 212 Ca 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 54.91 53.80 2k6h h ALA 212 Cb 0.17 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k6h h ALA 212 CO 0.00 0.96 0.03 0.22 0.00 0.00 0.00 179.25 180.46 2k6h h ASP 213 N 0.11 0.79 -3.16 0.00 3.58 -1.16 -3.40 116.42 113.16 2k6h h ASP 213 Ca -0.28 -0.29 -0.56 0.00 0.42 0.00 0.00 57.03 56.32 2k6h h ASP 213 Cb 2.09 -0.21 -0.40 0.00 1.72 0.00 0.00 39.33 42.53 2k6h h ASP 213 CO 0.20 0.88 -0.76 -1.00 -2.88 0.00 0.00 179.24 175.68 2k6h s HIS 214 N -5.08 1.40 0.29 0.28 3.76 -0.71 -5.04 115.29 110.19 2k6h s HIS 214 Ca -0.13 -1.41 0.03 0.00 -0.15 0.00 0.00 55.06 53.40 2k6h s HIS 214 Cb 0.11 -1.44 0.64 0.00 1.11 0.00 0.00 32.58 33.00 2k6h s HIS 214 CO 0.81 -0.80 1.78 -1.35 -0.85 0.00 0.00 174.74 174.33 2k6h h PRO 215 N 8.16 0.72 -0.64 8.40 0.11 -1.78 -2.32 132.00 144.65 2k6h h PRO 215 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2k6h h PRO 215 Cb 1.04 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2k6h h PRO 215 CO 0.43 0.48 0.00 -2.37 -0.21 0.00 0.00 178.00 176.33 2k6h n THR 216 N -4.79 1.38 -0.70 -1.15 5.66 -1.26 -4.88 114.28 108.54 2k6h n THR 216 Ca 0.21 -0.97 -0.31 0.00 -3.05 0.00 0.00 64.05 59.93 2k6h n THR 216 Cb 0.49 0.16 0.17 0.00 -1.55 0.00 0.00 70.33 69.60 2k6h n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k6h n ALA 217 N 1.06 -0.86 -2.65 1.79 0.00 -0.87 -5.06 120.51 113.91 2k6h n ALA 217 Ca 0.22 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.92 2k6h n ALA 217 Cb 0.72 -2.18 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 2k6h n ALA 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k6h s VAL 218 N -2.60 0.85 -0.44 0.00 0.11 -1.26 -4.95 120.40 112.11 2k6h s VAL 218 Ca 0.67 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2k6h s VAL 218 Cb -0.23 -0.72 0.13 0.00 -1.53 0.00 0.00 36.38 34.03 2k6h s VAL 218 CO 0.58 0.19 0.23 -0.63 -3.33 0.00 0.00 175.10 172.15 2k6h s ILE 219 N -0.34 1.38 0.37 7.04 1.01 -1.26 -5.00 121.20 124.40 2k6h s ILE 219 Ca 0.03 -2.52 0.13 0.00 0.00 0.00 0.00 60.65 58.29 2k6h s ILE 219 Cb -0.05 -1.97 0.35 0.00 0.01 0.00 0.00 42.46 40.80 2k6h s ILE 219 CO -0.00 -0.89 1.82 -0.65 0.00 0.00 0.00 174.94 175.22 2k6h h PRO 220 N 6.76 0.55 -0.48 2.79 0.11 -1.98 0.41 132.00 140.15 2k6h h PRO 220 Ca -0.01 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.08 2k6h h PRO 220 Cb 0.93 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 2k6h h PRO 220 CO 0.48 0.36 0.32 -0.44 -0.21 0.00 0.00 178.00 178.51 2k6h h ASP 221 N 0.56 0.53 0.49 -2.05 3.32 -1.97 -1.83 116.42 115.48 2k6h h ASP 221 Ca 0.52 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 57.26 2k6h h ASP 221 Cb 1.06 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2k6h h ASP 221 CO -0.26 0.38 -1.54 -0.03 -1.72 0.00 0.00 179.24 176.07 2k6h h MET 222 N 0.63 0.18 -0.47 3.56 4.05 -1.25 -3.28 114.93 118.34 2k6h h MET 222 Ca 0.18 -0.31 0.06 0.00 -0.28 0.00 0.00 59.70 59.35 2k6h h MET 222 Cb -0.04 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2k6h h MET 222 CO -0.04 1.00 0.32 1.96 0.23 0.00 0.00 176.91 180.37 2k6h h GLN 223 N 0.05 0.39 -0.35 0.39 4.20 -0.74 -1.01 115.11 118.04 2k6h h GLN 223 Ca -0.24 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.47 2k6h h GLN 223 Cb 1.99 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.66 2k6h h GLN 223 CO 0.14 0.26 0.23 -0.22 -0.67 0.00 0.00 178.83 178.57 2k6h h LYS 224 N 0.40 0.40 -0.03 1.46 1.63 -1.41 -0.06 116.57 118.96 2k6h h LYS 224 Ca 0.20 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2k6h h LYS 224 Cb 0.30 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2k6h h LYS 224 CO -0.05 0.26 0.00 1.28 -3.45 0.00 0.00 179.45 177.49 2k6h n LEU 225 N -4.49 0.57 0.00 5.20 7.99 -0.42 -4.90 117.00 120.96 2k6h n LEU 225 Ca 0.03 -0.22 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 2k6h n LEU 225 Cb 0.12 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 2k6h n LEU 225 CO 0.35 0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.95 2k6h n GLY 226 N 0.99 0.74 3.25 -0.72 0.00 -0.03 -4.89 105.19 104.53 2k6h n GLY 226 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.31 4.05 -1.41 -0.61 1.01 -0.99 -4.95 121.20 116.00 2k6h s ILE 227 Ca 0.00 -1.44 0.14 0.00 0.00 0.00 0.00 60.65 59.35 2k6h s ILE 227 Cb 0.00 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 39.02 2k6h s ILE 227 CO 0.00 -0.48 0.82 2.29 0.00 0.00 0.00 174.94 177.57 2k6h n LYS 228 N 4.87 1.56 -3.79 2.79 0.00 -1.26 -2.53 118.16 119.79 2k6h n LYS 228 Ca -0.10 -0.93 -0.11 0.00 -0.00 0.00 0.00 58.31 57.18 2k6h n LYS 228 Cb 0.43 -1.22 -0.08 0.00 -0.00 0.00 0.00 35.03 34.17 2k6h n LYS 228 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2k6h s ASP 229 N -1.50 -0.05 0.37 -5.58 1.01 -1.26 -4.88 116.67 104.77 2k6h s ASP 229 Ca 0.13 -0.29 0.05 0.00 0.71 0.00 0.00 52.55 53.15 2k6h s ASP 229 Cb 0.11 0.33 0.72 0.00 1.01 0.00 0.00 42.92 45.09 2k6h s ASP 229 CO 0.28 -0.61 2.00 0.50 0.21 0.00 0.00 175.17 177.56 2k6h h LYS 230 N 3.26 0.74 -0.59 8.23 3.64 -1.92 -1.28 116.57 128.65 2k6h h LYS 230 Ca -0.32 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 2k6h h LYS 230 Cb 1.20 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2k6h h LYS 230 CO 0.47 0.49 0.39 -0.97 -2.27 0.00 0.00 179.45 177.56 2k6h h ASN 231 N 0.76 0.63 0.07 4.20 -0.73 -1.98 0.14 115.58 118.67 2k6h h ASN 231 Ca 0.25 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.40 2k6h h ASN 231 Cb 0.04 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.48 2k6h h ASN 231 CO -0.06 0.45 -0.03 -0.08 -0.37 0.00 0.00 177.43 177.33 2k6h h GLU 232 N 0.74 -0.09 -0.79 6.67 4.57 -1.67 -3.20 114.58 120.81 2k6h h GLU 232 Ca 0.23 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.51 2k6h h GLU 232 Cb 0.00 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 2k6h h GLU 232 CO -0.06 0.37 0.52 0.00 -1.18 0.00 0.00 179.01 178.66 2k6h h ALA 233 N 0.29 1.78 -0.87 2.92 0.00 -0.81 -1.78 119.26 120.79 2k6h h ALA 233 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2k6h h ALA 233 Cb 0.50 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2k6h h ALA 233 CO 0.02 0.06 0.51 0.00 0.00 0.00 0.00 179.25 179.84 2k6h h ALA 234 N 1.60 1.24 0.00 0.00 0.00 -0.74 -0.95 119.26 120.42 2k6h h ALA 234 Ca 0.37 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.08 2k6h h ALA 234 Cb 0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2k6h h ALA 234 CO -0.14 0.16 -1.26 0.07 0.00 0.00 0.00 179.25 178.08 2k6h h ARG 235 N 0.87 0.00 0.10 0.00 0.11 -1.41 -3.38 114.38 110.67 2k6h h ARG 235 Ca 0.41 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.49 2k6h h ARG 235 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2k6h h ARG 235 CO -0.24 0.65 -0.05 0.82 0.10 0.00 0.00 179.97 181.25 2k6h h ILE 236 N 0.00 1.06 -4.47 0.08 5.03 -0.78 -3.37 117.51 115.06 2k6h h ILE 236 Ca -0.13 -0.62 -0.67 0.00 -0.12 0.00 0.00 64.86 63.32 2k6h h ILE 236 Cb 1.78 1.45 -0.30 0.00 -3.03 0.00 0.00 36.82 36.73 2k6h h ILE 236 CO 0.09 0.15 -0.88 0.68 -0.68 0.00 0.00 178.15 177.51 2k6h s VAL 237 N -4.99 1.91 -0.16 1.67 -7.23 -0.41 -1.69 120.40 109.49 2k6h s VAL 237 Ca -0.15 -1.03 0.22 0.00 -1.81 0.00 0.00 61.98 59.22 2k6h s VAL 237 Cb 0.03 -1.59 -0.12 0.00 0.56 0.00 0.00 36.38 35.26 2k6h s VAL 237 CO 0.63 0.54 0.84 0.00 -0.31 0.00 0.00 175.10 176.80 2k6h n ALA 238 N 2.55 2.60 -2.28 1.32 0.00 0.23 -4.56 120.51 120.37 2k6h n ALA 238 Ca -0.16 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 2k6h n ALA 238 Cb 0.52 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 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 -5.08 2.49 0.02 0.00 1.02 -1.25 -4.13 118.68 111.74 2k6h s LEU 239 Ca -0.03 -0.95 0.04 0.00 0.02 0.00 0.00 54.13 53.21 2k6h s LEU 239 Cb 0.11 -0.20 -0.02 0.00 0.02 0.00 0.00 46.19 46.10 2k6h s LEU 239 CO 0.83 -0.38 -0.13 0.68 0.02 0.00 0.00 176.35 177.37 2k6h s VAL 240 N -3.22 1.06 0.86 -1.59 -7.23 -0.99 -4.88 120.40 104.43 2k6h s VAL 240 Ca 0.11 -0.80 -0.12 0.00 -1.81 0.00 0.00 61.98 59.36 2k6h s VAL 240 Cb 0.02 -0.93 0.12 0.00 0.56 0.00 0.00 36.38 36.15 2k6h s VAL 240 CO -0.02 0.12 1.18 -0.75 -0.31 0.00 0.00 175.10 175.32 2k6h s LYS 241 N -0.78 1.29 0.48 4.82 2.20 -1.26 -2.70 119.74 123.79 2k6h s LYS 241 Ca 0.03 1.67 -0.24 0.00 -0.36 0.00 0.00 55.97 57.07 2k6h s LYS 241 Cb -0.07 -1.75 -0.07 0.00 -1.51 0.00 0.00 37.83 34.44 2k6h s LYS 241 CO 0.00 -2.46 1.34 1.21 -0.36 0.00 0.00 175.35 175.09 2k6h s ASN 242 N -2.39 5.77 -0.34 1.43 3.84 -1.26 -4.55 114.94 117.43 2k6h s ASN 242 Ca 0.70 2.72 0.00 0.00 0.21 0.00 0.00 52.86 56.49 2k6h s ASN 242 Cb -0.26 -2.64 0.14 0.00 -0.55 0.00 0.00 41.25 37.94 2k6h s ASN 242 CO 0.54 -1.23 0.26 -1.58 -2.79 0.00 0.00 177.10 172.31 2k6h s GLN 243 N -2.62 0.48 0.07 0.43 2.00 -1.26 -5.01 119.66 113.76 2k6h s GLN 243 Ca 0.65 -0.89 -0.31 0.00 -2.00 0.00 0.00 55.36 52.80 2k6h s GLN 243 Cb -0.39 -1.01 -0.08 0.00 0.80 0.00 0.00 33.01 32.33 2k6h s GLN 243 CO 0.48 -1.15 1.53 -0.08 -0.50 0.00 0.00 175.29 175.57 2k6h s THR 244 N 1.52 3.20 0.05 -0.34 -1.32 -1.26 -5.00 115.64 112.49 2k6h s THR 244 Ca 0.15 0.72 -0.03 0.00 -1.21 0.00 0.00 61.69 61.32 2k6h s THR 244 Cb -0.18 -3.46 -0.03 0.00 -1.51 0.00 0.00 72.50 67.32 2k6h s THR 244 CO -0.11 0.02 0.02 -0.89 -2.21 0.00 0.00 174.62 171.45 2k6h s THR 245 N 2.07 0.19 0.24 5.08 2.01 -1.26 -5.07 115.64 118.90 2k6h s THR 245 Ca 0.69 -1.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 2k6h s THR 245 Cb -0.38 -1.36 0.22 0.00 0.01 0.00 0.00 72.50 70.99 2k6h s THR 245 CO 0.30 -0.88 1.87 0.00 -0.69 0.00 0.00 174.62 175.22 2k6h h ALA 246 N 3.21 1.19 -3.46 7.40 0.00 -2.08 -3.36 119.26 122.15 2k6h h ALA 246 Ca -0.34 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 53.87 2k6h h ALA 246 Cb 1.16 -0.27 -0.17 0.00 0.00 0.00 0.00 17.79 18.51 2k6h h ALA 246 CO 0.62 0.34 -0.65 0.00 0.00 0.00 0.00 179.25 179.55 2k6h s ALA 247 N -6.07 3.14 0.00 0.00 0.00 -1.26 -5.35 121.76 112.22 2k6h s ALA 247 Ca -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2k6h s ALA 247 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2k6h s ALA 247 CO 0.79 0.55 0.00 0.00 0.00 0.00 0.00 175.76 177.11