#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2g s LEU -1 N 0.00 4.26 0.41 2.46 1.43 -1.26 -5.05 118.68 120.92 3k2g s LEU -1 Ca 0.00 1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.99 3k2g s LEU -1 Cb 0.00 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 3k2g s LEU -1 CO 0.00 0.00 1.12 -0.55 0.23 0.00 0.00 176.35 177.16 3k2g s SER 2 N -1.94 6.56 -0.05 2.29 0.15 -1.26 -4.93 113.70 114.52 3k2g s SER 2 Ca 0.43 2.23 0.08 0.00 0.70 0.00 0.00 55.95 59.40 3k2g s SER 2 Cb -0.14 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.72 3k2g s SER 2 CO 0.20 -0.64 1.10 -0.62 1.20 0.00 0.00 173.24 174.47 3k2g n GLU 3 N -0.03 2.45 -1.91 5.44 1.02 -1.26 -5.04 120.64 121.31 3k2g n GLU 3 Ca 0.05 -1.97 -0.41 0.00 -0.02 0.00 0.00 57.16 54.81 3k2g n GLU 3 Cb 0.48 -1.23 -0.01 0.00 -0.02 0.00 0.00 31.44 30.66 3k2g n GLU 3 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k2g s LEU 4 N -1.69 4.36 0.50 -4.62 1.43 -1.05 -4.03 118.68 113.58 3k2g s LEU 4 Ca 0.15 2.93 -0.21 0.00 -1.03 0.00 0.00 54.13 55.96 3k2g s LEU 4 Cb 0.12 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 3k2g s LEU 4 CO 0.03 -0.76 1.16 -0.55 0.23 0.00 0.00 176.35 176.46 3k2g s SER 5 N -0.24 5.90 0.24 2.29 0.15 0.35 -4.86 113.70 117.52 3k2g s SER 5 Ca 0.52 2.28 0.18 0.00 0.70 0.00 0.00 55.95 59.63 3k2g s SER 5 Cb -0.44 -2.60 0.91 0.00 -1.71 0.00 0.00 66.02 62.18 3k2g s SER 5 CO 0.59 -1.10 1.55 -0.81 1.20 0.00 0.00 173.24 174.67 3k2g n PRO 6 N -0.90 0.12 -2.09 5.44 -0.04 -1.26 -1.68 135.00 134.60 3k2g n PRO 6 Ca 0.09 0.55 -0.26 0.00 -0.04 0.00 0.00 63.50 63.84 3k2g n PRO 6 Cb 0.49 -1.84 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 3k2g n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k2g s HIS 8 N -3.62 2.28 -0.38 0.00 -3.43 -0.67 -4.65 115.29 104.82 3k2g s HIS 8 Ca 0.51 1.10 0.16 0.00 -0.80 0.00 0.00 55.06 56.03 3k2g s HIS 8 Cb 0.42 -3.22 0.86 0.00 -1.43 0.00 0.00 32.58 29.21 3k2g s HIS 8 CO -0.04 -2.56 1.48 1.33 -2.00 0.00 0.00 174.74 172.95 3k2g n VAL 9 N -3.96 1.24 -0.70 -5.38 0.24 0.43 -1.61 118.33 108.59 3k2g n VAL 9 Ca 0.06 0.68 0.08 0.00 -2.04 0.00 0.00 64.34 63.12 3k2g n VAL 9 Cb 0.56 -1.68 0.22 0.00 -1.47 0.00 0.00 33.84 31.48 3k2g n VAL 9 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3k2g n ARG 10 N -2.06 2.94 -0.02 7.34 5.12 -1.26 0.18 116.66 128.91 3k2g n ARG 10 Ca -0.01 -2.57 -0.04 0.00 -1.93 0.00 0.00 57.85 53.31 3k2g n ARG 10 Cb 0.04 -1.65 -0.12 0.00 -1.16 0.00 0.00 32.46 29.57 3k2g n ARG 10 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3k2g n SER 11 N -0.12 0.58 0.00 0.55 3.41 -0.63 -4.97 113.62 112.43 3k2g n SER 11 Ca 0.18 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3k2g n SER 11 Cb 0.73 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 3k2g n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2g n GLY 12 N 1.51 0.72 3.49 5.00 0.00 -1.26 -5.03 105.19 109.61 3k2g n GLY 12 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 3k2g n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k2g s ARG 13 N -0.31 1.69 0.00 1.61 0.52 -1.26 -0.91 118.95 120.29 3k2g s ARG 13 Ca 0.00 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 3k2g s ARG 13 Cb 0.00 -1.30 0.00 0.00 0.52 0.00 0.00 34.95 34.17 3k2g s ARG 13 CO 0.00 0.01 0.00 -0.89 0.02 0.00 0.00 175.30 174.44 3k2g n ILE 14 N -0.70 0.00 -3.76 1.52 5.41 0.66 -4.58 119.36 117.90 3k2g n ILE 14 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.73 3k2g n ILE 14 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.58 3k2g n ILE 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3k2g s THR 16 N 2.23 0.00 -0.53 1.39 -4.23 -0.48 -1.37 115.64 112.65 3k2g s THR 16 Ca 0.00 -0.16 0.21 0.00 -1.18 0.00 0.00 61.69 60.56 3k2g s THR 16 Cb 0.00 -2.40 0.21 0.00 1.34 0.00 0.00 72.50 71.65 3k2g s THR 16 CO 0.00 0.00 1.63 1.33 -0.54 0.00 0.00 174.62 177.04 3k2g n VAL 17 N -0.67 0.95 -0.52 2.29 0.24 0.45 -1.69 118.33 119.38 3k2g n VAL 17 Ca -0.04 0.34 0.07 0.00 -2.04 0.00 0.00 64.34 62.67 3k2g n VAL 17 Cb 0.61 -1.26 0.23 0.00 -1.47 0.00 0.00 33.84 31.96 3k2g n VAL 17 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3k2g n ASP 18 N -2.09 3.61 0.00 -1.34 8.00 -1.26 -4.75 116.55 118.72 3k2g n ASP 18 Ca 0.02 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.11 3k2g n ASP 18 Cb 0.17 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3k2g n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k2g n GLY 19 N 0.34 1.28 3.79 0.44 0.00 -0.68 -5.05 105.19 105.30 3k2g n GLY 19 Ca 0.18 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 3k2g n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k2g s PRO 20 N -1.35 3.19 0.03 1.61 0.04 -1.26 -1.38 135.00 135.87 3k2g s PRO 20 Ca 0.00 1.32 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 3k2g s PRO 20 Cb 0.00 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 3k2g s PRO 20 CO 0.00 -0.93 0.09 0.96 0.04 0.00 0.00 177.00 177.15 3k2g s ILE 21 N -2.30 0.12 0.49 0.56 -4.36 -0.47 -4.90 121.20 110.34 3k2g s ILE 21 Ca 0.66 -0.98 -0.22 0.00 -0.26 0.00 0.00 60.65 59.85 3k2g s ILE 21 Cb -0.18 -0.70 -0.07 0.00 1.25 0.00 0.00 42.46 42.76 3k2g s ILE 21 CO 0.36 -0.54 1.18 -2.16 0.24 0.00 0.00 174.94 174.02 3k2g s PRO 22 N -2.16 3.55 0.60 0.37 0.04 -1.26 -0.24 135.00 135.90 3k2g s PRO 22 Ca -0.09 1.80 0.30 0.00 0.04 0.00 0.00 61.00 63.05 3k2g s PRO 22 Cb -0.04 -2.28 1.72 0.00 0.04 0.00 0.00 34.50 33.95 3k2g s PRO 22 CO -0.03 -0.73 2.13 0.66 0.04 0.00 0.00 177.00 179.07 3k2g h SER 23 N 1.74 0.00 0.80 6.66 4.64 -1.31 -0.30 113.55 125.78 3k2g h SER 23 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3k2g h SER 23 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3k2g h SER 23 CO 0.59 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.32 3k2g h SER 24 N 0.00 0.00 0.33 4.97 4.64 -1.89 -2.75 113.55 118.84 3k2g h SER 24 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3k2g h SER 24 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3k2g h SER 24 CO -0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 176.83 175.59 3k2g n ALA 25 N -1.86 3.29 -0.15 5.18 0.00 -0.12 -4.18 120.51 122.67 3k2g n ALA 25 Ca 0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.00 3k2g n ALA 25 Cb 0.25 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.60 3k2g n ALA 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k2g h LEU 26 N 0.73 0.45 0.00 0.00 5.85 -1.60 -3.48 115.31 117.27 3k2g h LEU 26 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k2g h LEU 26 Cb 0.51 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3k2g h LEU 26 CO 0.00 0.32 0.00 0.61 -0.34 0.00 0.00 178.44 179.03 3k2g n GLY 27 N -1.23 0.99 3.62 3.75 0.00 -1.26 -3.85 105.19 107.22 3k2g n GLY 27 Ca 0.02 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3k2g n GLY 27 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3k2g n HIS 28 N 0.00 2.20 -4.26 1.61 -0.00 -1.26 -4.50 115.22 109.01 3k2g n HIS 28 Ca 0.00 -0.23 -0.20 0.00 -0.00 0.00 0.00 57.72 57.29 3k2g n HIS 28 Cb 0.00 -2.76 -0.12 0.00 -0.00 0.00 0.00 29.99 27.11 3k2g n HIS 28 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3k2g s THR 29 N 6.56 1.29 0.55 3.57 2.01 -1.26 -0.81 115.64 127.55 3k2g s THR 29 Ca 0.96 -1.30 0.06 0.00 0.31 0.00 0.00 61.69 61.72 3k2g s THR 29 Cb -0.40 -1.20 0.04 0.00 0.01 0.00 0.00 72.50 70.95 3k2g s THR 29 CO 0.39 -0.12 0.44 -0.76 -0.69 0.00 0.00 174.62 173.88 3k2g s LEU 30 N -1.64 2.72 -0.80 4.42 1.43 -0.67 -4.86 118.68 119.28 3k2g s LEU 30 Ca 0.01 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 51.70 3k2g s LEU 30 Cb -0.10 -1.21 -0.21 0.00 0.03 0.00 0.00 46.19 44.70 3k2g s LEU 30 CO 0.03 -1.14 2.01 1.57 0.23 0.00 0.00 176.35 179.05 3k2g n HIS 32 N -1.81 0.29 -3.87 0.29 -0.00 -1.24 -0.97 115.22 107.91 3k2g n HIS 32 Ca -0.00 0.19 -0.11 0.00 -0.00 0.00 0.00 57.72 57.80 3k2g n HIS 32 Cb 0.64 -1.36 -0.10 0.00 -0.00 0.00 0.00 29.99 29.17 3k2g n HIS 32 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3k2g s GLU 33 N 6.64 0.44 -0.20 1.57 0.41 -0.76 -2.16 118.70 124.64 3k2g s GLU 33 Ca 1.08 -0.32 -0.05 0.00 -0.41 0.00 0.00 54.97 55.27 3k2g s GLU 33 Cb -0.89 0.18 -0.03 0.00 -1.78 0.00 0.00 34.13 31.62 3k2g s GLU 33 CO 0.42 -0.10 0.00 -1.01 -0.49 0.00 0.00 175.26 174.08 3k2g s HIS 34 N -1.19 3.05 -0.12 1.61 3.76 -0.89 -3.88 115.29 117.63 3k2g s HIS 34 Ca -0.13 -0.43 0.16 0.00 -0.15 0.00 0.00 55.06 54.51 3k2g s HIS 34 Cb -0.07 -2.09 -0.23 0.00 1.11 0.00 0.00 32.58 31.30 3k2g s HIS 34 CO 0.01 -0.22 0.41 1.28 -0.85 0.00 0.00 174.74 175.37 3k2g n LEU 35 N 4.23 0.45 -3.71 0.89 4.77 -1.26 -4.69 117.00 117.67 3k2g n LEU 35 Ca -0.17 0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 3k2g n LEU 35 Cb 0.52 0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.81 3k2g n LEU 35 CO 0.32 0.40 0.15 -1.10 -1.33 0.00 0.00 177.39 175.82 3k2g s GLN 36 N -2.62 0.55 0.17 3.23 -1.52 -1.26 -4.84 119.66 113.37 3k2g s GLN 36 Ca -0.07 0.65 -0.19 0.00 -1.95 0.00 0.00 55.36 53.81 3k2g s GLN 36 Cb 0.07 0.27 0.07 0.00 -0.22 0.00 0.00 33.01 33.20 3k2g s GLN 36 CO 0.83 -0.07 0.90 0.27 -0.25 0.00 0.00 175.29 176.97 3k2g n ASN 37 N 2.82 -1.56 -3.50 5.90 0.23 -0.49 -4.75 115.26 113.91 3k2g n ASN 37 Ca -0.13 -1.84 -0.20 0.00 -0.53 0.00 0.00 54.58 51.88 3k2g n ASN 37 Cb 0.57 2.54 -0.13 0.00 -2.08 0.00 0.00 39.78 40.68 3k2g n ASN 37 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3k2g s ASP 38 N -3.14 1.74 -0.15 0.53 2.15 -0.05 -2.32 116.67 115.43 3k2g s ASP 38 Ca 0.20 -0.44 0.15 0.00 0.43 0.00 0.00 52.55 52.90 3k2g s ASP 38 Cb -0.03 0.24 0.53 0.00 -0.30 0.00 0.00 42.92 43.37 3k2g s ASP 38 CO 0.05 -0.35 1.44 0.00 -0.17 0.00 0.00 175.17 176.14 3k2g h ARG 40 N 2.20 0.39 -0.00 0.00 3.08 -1.91 -0.19 114.38 117.94 3k2g h ARG 40 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3k2g h ARG 40 Cb 1.36 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 3k2g h ARG 40 CO 0.21 0.26 0.02 0.00 -1.07 0.00 0.00 179.97 179.38 3k2g n TRP 42 N -3.13 0.89 -1.68 0.00 8.01 -0.08 -4.96 117.44 116.48 3k2g n TRP 42 Ca -0.03 -0.43 -0.45 0.00 -1.31 0.00 0.00 57.50 55.29 3k2g n TRP 42 Cb 0.09 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.31 29.32 3k2g n TRP 42 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.69 178.55 3k2g n TRP 43 N 1.27 2.41 -3.64 -5.99 -0.00 -0.56 -4.83 117.44 106.09 3k2g n TRP 43 Ca 0.21 0.21 -0.38 0.00 -0.00 0.00 0.00 57.50 57.55 3k2g n TRP 43 Cb 0.56 -2.58 -0.08 0.00 -0.00 0.00 0.00 31.31 29.21 3k2g n TRP 43 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3k2g s ASN 44 N 0.94 5.66 -0.00 5.87 2.47 -0.24 -5.00 114.94 124.64 3k2g s ASN 44 Ca 0.77 -3.13 -0.37 0.00 0.42 0.00 0.00 52.86 50.55 3k2g s ASN 44 Cb -0.63 -1.92 -0.15 0.00 -1.45 0.00 0.00 41.25 37.10 3k2g s ASN 44 CO 0.37 -0.33 1.53 -2.65 -3.72 0.00 0.00 177.10 172.30 3k2g n PRO 45 N 3.15 1.43 -2.32 0.43 -0.02 -1.26 -4.14 135.00 132.27 3k2g n PRO 45 Ca 0.13 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3k2g n PRO 45 Cb 0.39 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3k2g n PRO 45 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3k2g s PRO 46 N 1.65 4.36 0.03 0.52 0.04 -1.26 -4.88 135.00 135.46 3k2g s PRO 46 Ca 0.88 1.87 0.23 0.00 0.04 0.00 0.00 61.00 64.01 3k2g s PRO 46 Cb -0.91 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 30.21 3k2g s PRO 46 CO 0.50 -0.41 0.98 1.04 0.04 0.00 0.00 177.00 179.16 3k2g n GLN 47 N 4.51 0.24 -2.74 4.56 1.13 -1.26 -4.84 117.38 118.99 3k2g n GLN 47 Ca 0.11 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 3k2g n GLN 47 Cb 0.45 -1.56 -0.03 0.00 0.11 0.00 0.00 30.24 29.20 3k2g n GLN 47 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3k2g s GLU 48 N -3.17 4.56 0.33 -1.09 8.01 -1.26 -4.93 118.70 121.15 3k2g s GLU 48 Ca 0.04 1.38 0.01 0.00 0.01 0.00 0.00 54.97 56.41 3k2g s GLU 48 Cb 0.15 -3.45 0.58 0.00 -4.31 0.00 0.00 34.13 27.10 3k2g s GLU 48 CO 0.82 -0.02 1.97 -1.35 0.01 0.00 0.00 175.26 176.69 3k2g h PRO 49 N 6.69 0.85 0.00 0.39 0.11 -2.03 -1.32 132.00 136.69 3k2g h PRO 49 Ca -0.41 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3k2g h PRO 49 Cb 1.22 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3k2g h PRO 49 CO 0.75 0.60 -0.16 0.93 -0.21 0.00 0.00 178.00 179.91 3k2g h GLU 50 N 0.86 0.00 -0.71 1.05 4.39 -1.99 -3.05 114.58 115.13 3k2g h GLU 50 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3k2g h GLU 50 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3k2g h GLU 50 CO -0.04 0.16 0.00 0.54 -1.16 0.00 0.00 179.01 178.50 3k2g n ARG 51 N -3.65 3.22 -0.04 2.33 1.74 -0.51 -4.56 116.66 115.19 3k2g n ARG 51 Ca -0.02 -2.79 -0.03 0.00 -0.77 0.00 0.00 57.85 54.25 3k2g n ARG 51 Cb 0.28 -1.74 0.21 0.00 -1.02 0.00 0.00 32.46 30.19 3k2g n ARG 51 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3k2g h GLN 52 N 4.27 0.63 0.00 5.56 1.08 -1.44 -2.96 115.11 122.25 3k2g h GLN 52 Ca 0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3k2g h GLN 52 Cb 1.22 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3k2g h GLN 52 CO 0.11 0.71 0.00 0.10 -0.95 0.00 0.00 178.83 178.80 3k2g h TYR 53 N 0.58 0.00 0.00 2.96 -0.00 -1.85 -1.99 116.97 116.67 3k2g h TYR 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.84 3k2g h TYR 53 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.22 3k2g h TYR 53 CO 0.02 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.11 3k2g h LEU 54 N 0.00 0.00 -0.00 0.10 3.38 -1.87 -3.22 115.31 113.70 3k2g h LEU 54 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3k2g h LEU 54 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3k2g h LEU 54 CO 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.35 3k2g h ALA 55 N 2.03 0.02 0.00 1.53 0.00 -1.48 -3.35 119.26 118.01 3k2g h ALA 55 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3k2g h ALA 55 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3k2g h ALA 55 CO 0.00 0.03 -1.49 -1.91 0.00 0.00 0.00 179.25 175.88 3k2g n GLU 56 N -4.56 0.63 -2.03 0.00 4.07 -1.26 -2.14 120.64 115.36 3k2g n GLU 56 Ca -0.10 0.07 -0.38 0.00 -0.06 0.00 0.00 57.16 56.70 3k2g n GLU 56 Cb 0.47 -1.72 0.02 0.00 -0.06 0.00 0.00 31.44 30.15 3k2g n GLU 56 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k2g s ALA 57 N -3.18 2.88 0.50 4.31 0.00 -1.21 -4.87 121.76 120.18 3k2g s ALA 57 Ca -0.04 1.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 3k2g s ALA 57 Cb 0.10 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3k2g s ALA 57 CO 0.83 -1.01 0.99 -1.25 0.00 0.00 0.00 175.76 175.31 3k2g s PRO 58 N -2.83 3.96 0.08 0.00 0.04 -1.26 -4.62 135.00 130.37 3k2g s PRO 58 Ca 0.68 1.06 -0.33 0.00 0.04 0.00 0.00 61.00 62.45 3k2g s PRO 58 Cb -0.34 -2.14 -0.12 0.00 0.04 0.00 0.00 34.50 31.94 3k2g s PRO 58 CO 0.40 -0.27 1.74 -0.89 0.04 0.00 0.00 177.00 178.03 3k2g n ILE 59 N -1.30 0.27 -4.13 0.56 5.41 -1.26 -4.98 119.36 113.92 3k2g n ILE 59 Ca 0.07 -0.05 -0.09 0.00 1.00 0.00 0.00 62.75 63.68 3k2g n ILE 59 Cb 0.54 -1.81 -0.10 0.00 -0.71 0.00 0.00 39.64 37.56 3k2g n ILE 59 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3k2g s SER 60 N 2.31 0.80 0.39 4.38 1.04 -1.26 -5.06 113.70 116.31 3k2g s SER 60 Ca 0.83 -1.02 0.10 0.00 0.48 0.00 0.00 55.95 56.35 3k2g s SER 60 Cb -0.62 0.15 0.87 0.00 0.10 0.00 0.00 66.02 66.52 3k2g s SER 60 CO 0.41 -0.54 1.94 -0.29 0.98 0.00 0.00 173.24 175.74 3k2g h ILE 61 N 3.04 0.92 0.00 -1.02 2.10 -1.93 -2.65 117.51 117.96 3k2g h ILE 61 Ca -0.35 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.39 3k2g h ILE 61 Cb 1.16 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 3k2g h ILE 61 CO 0.65 0.11 0.00 1.05 -1.08 0.00 0.00 178.15 178.88 3k2g h GLU 62 N 0.61 0.00 -0.34 2.19 9.09 -1.99 -3.12 114.58 121.01 3k2g h GLU 62 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 3k2g h GLU 62 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3k2g h GLU 62 CO -0.12 0.00 0.00 0.44 0.05 0.00 0.00 179.01 179.38 3k2g n ILE 63 N -2.46 0.81 -0.35 -1.06 -5.35 -1.00 -4.67 119.36 105.28 3k2g n ILE 63 Ca 0.02 -0.90 -0.00 0.00 -0.27 0.00 0.00 62.75 61.59 3k2g n ILE 63 Cb 0.26 0.65 0.13 0.00 -1.74 0.00 0.00 39.64 38.94 3k2g n ILE 63 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3k2g h LEU 64 N 2.46 1.00 0.04 7.28 3.38 -1.59 -1.99 115.31 125.90 3k2g h LEU 64 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3k2g h LEU 64 Cb 0.74 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3k2g h LEU 64 CO 0.00 0.68 -0.12 -1.28 0.09 0.00 0.00 178.44 177.81 3k2g h SER 65 N 1.16 -0.33 -0.67 -0.43 0.87 -1.84 -1.18 113.55 111.14 3k2g h SER 65 Ca 0.38 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3k2g h SER 65 Cb 0.03 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3k2g h SER 65 CO -0.13 -0.17 0.43 -0.33 -0.53 0.00 0.00 176.83 176.10 3k2g h GLU 66 N -0.22 0.89 -0.68 2.24 4.39 -1.84 -2.22 114.58 117.14 3k2g h GLU 66 Ca 0.03 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.68 3k2g h GLU 66 Cb 0.25 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3k2g h GLU 66 CO -0.09 0.61 0.45 -0.07 -1.16 0.00 0.00 179.01 178.75 3k2g h LEU 67 N 0.91 0.75 -2.14 1.33 3.38 -1.06 -1.13 115.31 117.35 3k2g h LEU 67 Ca 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3k2g h LEU 67 Cb -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3k2g h LEU 67 CO -0.05 0.53 -0.05 0.03 0.09 0.00 0.00 178.44 178.99 3k2g h ARG 68 N 0.88 0.00 -0.14 1.13 3.08 -0.58 0.27 114.38 119.03 3k2g h ARG 68 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3k2g h ARG 68 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3k2g h ARG 68 CO -0.06 0.05 0.00 1.04 -1.07 0.00 0.00 179.97 179.92 3k2g n GLN 69 N -3.33 2.08 -2.67 0.04 1.13 -0.44 -1.81 117.38 112.39 3k2g n GLN 69 Ca -0.02 -1.60 -0.05 0.00 -1.94 0.00 0.00 57.00 53.40 3k2g n GLN 69 Cb 0.20 -1.46 0.08 0.00 0.11 0.00 0.00 30.24 29.17 3k2g n GLN 69 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3k2g n ASP 70 N 0.88 -1.31 0.21 1.08 2.03 -0.62 -3.76 116.55 115.05 3k2g n ASP 70 Ca 0.17 -1.81 0.14 0.00 0.52 0.00 0.00 54.79 53.80 3k2g n ASP 70 Cb 0.48 0.77 0.75 0.00 -0.72 0.00 0.00 41.12 42.41 3k2g n ASP 70 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3k2g h PRO 71 N 3.07 0.00 0.00 -0.67 0.13 -0.72 -2.30 132.00 131.51 3k2g h PRO 71 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3k2g h PRO 71 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3k2g h PRO 71 CO -0.17 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.79 3k2g n PHE 72 N -4.20 0.00 0.20 1.56 3.72 -1.26 -3.59 117.46 113.90 3k2g n PHE 72 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 3k2g n PHE 72 Cb 0.23 -0.21 0.40 0.00 -0.94 0.00 0.00 39.48 38.96 3k2g n PHE 72 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 3k2g h VAL 73 N 0.00 0.76 -3.66 -4.37 3.04 -1.57 -0.63 116.25 109.83 3k2g h VAL 73 Ca 0.00 -1.31 -0.62 0.00 -1.01 0.00 0.00 66.70 63.76 3k2g h VAL 73 Cb 0.20 1.82 -0.14 0.00 -2.01 0.00 0.00 31.29 31.16 3k2g h VAL 73 CO 0.00 0.30 -0.39 0.21 -1.01 0.00 0.00 177.57 176.68 3k2g s ASN 74 N -6.35 6.19 0.13 3.17 2.47 -1.24 -3.95 114.94 115.37 3k2g s ASN 74 Ca -0.00 0.21 -0.15 0.00 0.42 0.00 0.00 52.86 53.34 3k2g s ASN 74 Cb 0.11 -2.16 -0.01 0.00 -1.45 0.00 0.00 41.25 37.75 3k2g s ASN 74 CO 0.66 -0.04 1.62 0.11 -3.72 0.00 0.00 177.10 175.73 3k2g h LYS 75 N 7.80 0.69 -0.88 0.43 1.57 -1.68 -2.96 116.57 121.54 3k2g h LYS 75 Ca -0.36 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.30 3k2g h LYS 75 Cb 1.17 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 3k2g h LYS 75 CO 0.64 0.72 0.58 1.25 -0.57 0.00 0.00 179.45 182.07 3k2g h HIS 76 N 0.55 1.02 -0.23 -1.35 2.76 -1.82 -2.84 115.15 113.25 3k2g h HIS 76 Ca 0.13 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.21 3k2g h HIS 76 Cb 0.36 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3k2g h HIS 76 CO 0.02 0.55 -0.35 -0.97 -1.30 0.00 0.00 177.93 175.89 3k2g h ASN 77 N 1.02 0.52 -0.56 3.26 -1.24 -1.87 -3.36 115.58 113.35 3k2g h ASN 77 Ca 0.37 -0.21 -0.34 0.00 0.71 0.00 0.00 56.30 56.83 3k2g h ASN 77 Cb 0.16 -0.14 -0.12 0.00 0.73 0.00 0.00 38.32 38.95 3k2g h ASN 77 CO -0.13 0.82 0.06 2.30 -1.29 0.00 0.00 177.43 179.19 3k2g n ILE 78 N -4.06 3.11 -3.35 2.57 -5.35 -1.07 -1.32 119.36 109.88 3k2g n ILE 78 Ca -0.01 -2.22 0.02 0.00 -0.27 0.00 0.00 62.75 60.27 3k2g n ILE 78 Cb 0.47 -1.74 -0.04 0.00 -1.74 0.00 0.00 39.64 36.59 3k2g n ILE 78 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k2g s ALA 79 N -0.56 -2.83 -0.87 -1.28 0.00 -1.26 -1.95 121.76 113.01 3k2g s ALA 79 Ca 0.58 1.97 -0.18 0.00 0.00 0.00 0.00 51.96 54.34 3k2g s ALA 79 Cb 0.34 -2.12 0.15 0.00 0.00 0.00 0.00 23.12 21.49 3k2g s ALA 79 CO -0.11 -0.99 1.00 -0.51 0.00 0.00 0.00 175.76 175.15 3k2g s LEU 80 N 2.42 5.47 -0.07 0.00 1.43 -0.98 -4.59 118.68 122.37 3k2g s LEU 80 Ca -0.02 -2.11 0.10 0.00 -1.03 0.00 0.00 54.13 51.08 3k2g s LEU 80 Cb -0.06 -2.35 0.16 0.00 0.03 0.00 0.00 46.19 43.98 3k2g s LEU 80 CO -0.17 -0.96 1.05 -0.90 0.23 0.00 0.00 176.35 175.59 3k2g n ASP 81 N 5.95 1.73 -4.21 2.29 5.68 -1.26 -1.39 116.55 125.34 3k2g n ASP 81 Ca 0.18 -2.53 -0.41 0.00 -0.50 0.00 0.00 54.79 51.52 3k2g n ASP 81 Cb 0.48 -0.27 -0.06 0.00 -1.14 0.00 0.00 41.12 40.13 3k2g n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3k2g s ASP 82 N -1.96 5.93 0.20 -1.12 -1.08 -1.26 -4.94 116.67 112.43 3k2g s ASP 82 Ca 0.17 -2.60 -0.11 0.00 -0.52 0.00 0.00 52.55 49.50 3k2g s ASP 82 Cb 0.15 -2.03 0.13 0.00 -1.46 0.00 0.00 42.92 39.72 3k2g s ASP 82 CO 0.02 -0.52 1.87 0.25 0.52 0.00 0.00 175.17 177.31 3k2g h LEU 83 N 7.62 0.81 -0.76 -1.34 5.85 -1.92 -0.59 115.31 124.97 3k2g h LEU 83 Ca -0.01 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3k2g h LEU 83 Cb 1.01 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3k2g h LEU 83 CO 0.76 0.59 0.43 0.44 -0.34 0.00 0.00 178.44 180.33 3k2g h ASP 84 N 0.95 0.94 -0.55 1.25 3.32 -2.00 -0.86 116.42 119.47 3k2g h ASP 84 Ca 0.26 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 3k2g h ASP 84 Cb -0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3k2g h ASP 84 CO -0.05 0.76 -0.08 0.25 -1.72 0.00 0.00 179.24 178.39 3k2g h LEU 85 N 1.05 1.03 -0.71 1.55 5.85 -1.91 -1.86 115.31 120.32 3k2g h LEU 85 Ca 0.27 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.69 3k2g h LEU 85 Cb 0.01 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 3k2g h LEU 85 CO -0.05 1.13 0.43 0.00 -0.34 0.00 0.00 178.44 179.62 3k2g h ALA 86 N 0.94 0.93 -0.31 1.25 0.00 -0.62 0.20 119.26 121.65 3k2g h ALA 86 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3k2g h ALA 86 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3k2g h ALA 86 CO 0.04 0.19 0.10 0.82 0.00 0.00 0.00 179.25 180.41 3k2g h ILE 87 N 0.84 1.20 -0.50 0.00 2.04 -0.91 -0.68 117.51 119.50 3k2g h ILE 87 Ca 0.29 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 3k2g h ILE 87 Cb 0.05 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3k2g h ILE 87 CO -0.12 0.22 0.14 0.00 0.00 0.00 0.00 178.15 178.39 3k2g h ALA 88 N 0.94 0.66 -0.60 1.87 0.00 -0.75 -1.81 119.26 119.57 3k2g h ALA 88 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3k2g h ALA 88 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k2g h ALA 88 CO -0.00 0.33 0.05 0.93 0.00 0.00 0.00 179.25 180.56 3k2g h GLU 89 N 0.69 1.01 -0.10 0.00 4.39 -0.53 -2.66 114.58 117.37 3k2g h GLU 89 Ca 0.16 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 3k2g h GLU 89 Cb 0.30 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3k2g h GLU 89 CO -0.00 0.96 -0.39 0.28 -1.16 0.00 0.00 179.01 178.70 3k2g h VAL 90 N 0.94 1.30 0.00 3.13 2.07 -0.99 -2.41 116.25 120.29 3k2g h VAL 90 Ca 0.18 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3k2g h VAL 90 Cb 0.48 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3k2g h VAL 90 CO 0.02 0.44 -0.03 0.11 0.02 0.00 0.00 177.57 178.13 3k2g h LYS 91 N 0.18 0.00 -0.65 1.57 1.57 -0.97 -1.08 116.57 117.20 3k2g h LYS 91 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3k2g h LYS 91 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3k2g h LYS 91 CO 0.06 0.03 0.20 1.96 -0.57 0.00 0.00 179.45 181.13 3k2g h GLN 92 N 0.00 0.98 -0.06 3.15 4.20 -1.37 0.65 115.11 122.66 3k2g h GLN 92 Ca -0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 3k2g h GLN 92 Cb 0.07 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3k2g h GLN 92 CO 0.00 0.84 -0.01 0.35 -0.67 0.00 0.00 178.83 179.35 3k2g h PHE 93 N 0.95 0.13 -0.49 2.96 3.57 -1.30 -2.77 116.94 119.99 3k2g h PHE 93 Ca 0.21 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.73 3k2g h PHE 93 Cb 0.27 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3k2g h PHE 93 CO 0.02 0.44 0.32 0.00 -2.23 0.00 0.00 178.31 176.86 3k2g h ALA 94 N 0.67 1.87 0.00 2.41 0.00 -1.16 0.90 119.26 123.95 3k2g h ALA 94 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3k2g h ALA 94 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k2g h ALA 94 CO 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.26 3k2g h ALA 95 N 1.73 1.10 -0.41 0.00 0.00 -0.59 -2.39 119.26 118.70 3k2g h ALA 95 Ca 0.21 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3k2g h ALA 95 Cb 0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3k2g h ALA 95 CO -0.05 0.06 0.05 1.33 0.00 0.00 0.00 179.25 180.64 3k2g n VAL 96 N -3.29 2.55 -0.02 0.00 0.24 -0.39 -4.92 118.33 112.50 3k2g n VAL 96 Ca -0.01 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.09 3k2g n VAL 96 Cb 0.22 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 3k2g n VAL 96 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k2g n GLY 97 N -0.75 0.29 3.70 7.63 0.00 -0.90 -4.99 105.19 110.17 3k2g n GLY 97 Ca 0.31 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.90 3k2g n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2g n GLY 98 N -2.00 1.21 0.00 -0.02 0.00 0.17 -4.54 105.19 100.01 3k2g n GLY 98 Ca 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 46.02 46.58 3k2g n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k2g n ARG 99 N 2.89 2.87 -3.95 1.61 3.00 0.01 -4.08 116.66 119.01 3k2g n ARG 99 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.89 3k2g n ARG 99 Cb 0.33 -1.00 -0.11 0.00 0.00 0.00 0.00 32.46 31.68 3k2g n ARG 99 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3k2g s SER 100 N -3.28 0.20 -0.03 6.15 0.01 -0.89 -1.27 113.70 114.57 3k2g s SER 100 Ca -0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.81 3k2g s SER 100 Cb 0.00 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.40 3k2g s SER 100 CO 0.00 -0.35 -0.00 -0.63 0.41 0.00 0.00 173.24 172.67 3k2g s ILE 101 N -1.65 0.22 -0.30 1.44 1.01 0.43 -1.67 121.20 120.68 3k2g s ILE 101 Ca -0.14 0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 3k2g s ILE 101 Cb -0.08 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 3k2g s ILE 101 CO -0.01 0.16 0.34 -0.69 0.00 0.00 0.00 174.94 174.73 3k2g s VAL 102 N 1.06 5.20 -0.40 2.92 1.01 -0.14 -1.62 120.40 128.42 3k2g s VAL 102 Ca -0.09 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 3k2g s VAL 102 Cb -0.14 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.62 3k2g s VAL 102 CO -0.02 0.09 0.22 -0.62 0.00 0.00 0.00 175.10 174.77 3k2g s ASP 103 N 1.69 5.49 -0.06 3.32 -1.08 0.00 -1.82 116.67 124.22 3k2g s ASP 103 Ca 0.12 -1.55 0.05 0.00 -0.52 0.00 0.00 52.55 50.66 3k2g s ASP 103 Cb -0.16 -1.93 0.26 0.00 -1.46 0.00 0.00 42.92 39.63 3k2g s ASP 103 CO 0.11 -0.50 0.98 -0.81 0.52 0.00 0.00 175.17 175.47 3k2g n PRO 104 N 4.83 2.13 -1.80 4.34 -0.04 -1.25 -1.81 135.00 141.40 3k2g n PRO 104 Ca -0.09 -1.02 -0.42 0.00 -0.04 0.00 0.00 63.50 61.93 3k2g n PRO 104 Cb 0.43 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 3k2g n PRO 104 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3k2g s THR 105 N -1.61 3.09 0.00 0.52 2.01 -1.26 -4.41 115.64 113.98 3k2g s THR 105 Ca 0.18 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.45 3k2g s THR 105 Cb 0.13 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.46 3k2g s THR 105 CO 0.07 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 173.98 3k2g s ARG 107 N 1.73 4.25 0.00 0.00 0.52 -0.44 -2.74 118.95 122.27 3k2g s ARG 107 Ca 0.00 2.28 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 3k2g s ARG 107 Cb 0.00 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3k2g s ARG 107 CO 0.00 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.17 3k2g n GLY 108 N 3.67 3.39 0.24 -3.53 0.00 -1.26 -3.68 105.19 104.02 3k2g n GLY 108 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 3k2g n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k2g n ILE 109 N -1.72 1.99 -0.11 -0.61 -5.35 -1.11 -4.90 119.36 107.55 3k2g n ILE 109 Ca 0.00 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.12 3k2g n ILE 109 Cb 0.00 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.66 3k2g n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k2g n GLY 110 N -1.30 0.93 3.72 3.28 0.00 -1.25 -0.88 105.19 109.70 3k2g n GLY 110 Ca 0.17 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3k2g n GLY 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k2g n ARG 111 N -2.11 2.41 -3.32 1.61 0.63 -1.18 -4.56 116.66 110.14 3k2g n ARG 111 Ca 0.00 0.85 -0.10 0.00 -0.92 0.00 0.00 57.85 57.68 3k2g n ARG 111 Cb 0.00 -2.56 -0.06 0.00 0.45 0.00 0.00 32.46 30.29 3k2g n ARG 111 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3k2g s ASP 112 N 0.20 0.60 0.37 6.15 -1.08 -1.26 -5.02 116.67 116.63 3k2g s ASP 112 Ca 0.62 -0.51 0.05 0.00 -0.52 0.00 0.00 52.55 52.19 3k2g s ASP 112 Cb -0.55 1.00 0.71 0.00 -1.46 0.00 0.00 42.92 42.62 3k2g s ASP 112 CO 0.54 -0.35 1.98 1.55 0.52 0.00 0.00 175.17 179.40 3k2g h PRO 113 N 8.11 0.61 -0.55 4.34 0.13 -1.93 -1.65 132.00 141.06 3k2g h PRO 113 Ca -0.08 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3k2g h PRO 113 Cb 1.11 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 3k2g h PRO 113 CO 0.27 0.47 0.34 0.28 -0.23 0.00 0.00 178.00 179.14 3k2g h VAL 114 N 0.61 1.09 -0.13 1.56 2.07 -1.95 -0.96 116.25 118.53 3k2g h VAL 114 Ca 0.15 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 3k2g h VAL 114 Cb 0.07 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3k2g h VAL 114 CO -0.02 0.12 -0.61 0.11 0.02 0.00 0.00 177.57 177.20 3k2g h LYS 115 N 0.68 0.45 -0.61 1.57 1.57 -1.89 -2.73 116.57 115.62 3k2g h LYS 115 Ca 0.21 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3k2g h LYS 115 Cb -0.02 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3k2g h LYS 115 CO -0.08 0.92 0.23 -0.07 -0.57 0.00 0.00 179.45 179.89 3k2g h LEU 116 N 0.33 0.85 -1.23 2.94 3.38 -0.91 -1.80 115.31 118.88 3k2g h LEU 116 Ca -0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3k2g h LEU 116 Cb 1.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3k2g h LEU 116 CO 0.11 0.79 0.05 0.03 0.09 0.00 0.00 178.44 179.52 3k2g h ARG 117 N 0.85 0.59 -0.40 1.13 3.08 -1.13 -0.46 114.38 118.04 3k2g h ARG 117 Ca 0.20 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3k2g h ARG 117 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3k2g h ARG 117 CO -0.01 0.57 -0.04 0.00 -1.07 0.00 0.00 179.97 179.42 3k2g h ARG 118 N 0.57 0.73 -0.13 0.04 3.08 -1.14 -1.00 114.38 116.53 3k2g h ARG 118 Ca 0.13 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3k2g h ARG 118 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3k2g h ARG 118 CO 0.00 0.84 0.03 0.82 -1.07 0.00 0.00 179.97 180.59 3k2g h ILE 119 N 0.55 1.21 -0.71 2.04 2.04 -0.92 -1.63 117.51 120.09 3k2g h ILE 119 Ca 0.11 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3k2g h ILE 119 Cb 0.54 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 3k2g h ILE 119 CO 0.03 0.19 0.44 0.77 0.00 0.00 0.00 178.15 179.58 3k2g h SER 120 N 0.00 0.71 -0.33 1.72 4.64 -1.05 0.75 113.55 119.99 3k2g h SER 120 Ca 0.04 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 3k2g h SER 120 Cb 0.27 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3k2g h SER 120 CO 0.00 0.48 -0.02 0.00 -0.87 0.00 0.00 176.83 176.43 3k2g h ALA 121 N 1.32 0.45 -0.01 5.18 0.00 -1.08 0.15 119.26 125.27 3k2g h ALA 121 Ca 0.29 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3k2g h ALA 121 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3k2g h ALA 121 CO -0.12 0.23 -0.77 0.93 0.00 0.00 0.00 179.25 179.51 3k2g h GLU 122 N 0.40 0.08 0.00 0.00 4.39 -1.06 -3.32 114.58 115.07 3k2g h GLU 122 Ca 0.09 -0.08 -0.24 0.00 0.34 0.00 0.00 59.36 59.47 3k2g h GLU 122 Cb 0.48 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 3k2g h GLU 122 CO 0.02 0.81 -1.77 0.25 -1.16 0.00 0.00 179.01 177.16 3k2g n THR 123 N -3.67 1.30 -0.73 1.13 -2.24 0.24 -4.97 114.28 105.33 3k2g n THR 123 Ca -0.02 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3k2g n THR 123 Cb 0.74 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3k2g n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k2g n GLY 124 N 1.52 0.81 3.70 3.38 0.00 0.51 -4.93 105.19 110.18 3k2g n GLY 124 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3k2g n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2g s VAL 125 N -3.12 5.11 0.27 1.61 1.01 -1.23 -5.00 120.40 119.06 3k2g s VAL 125 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 3k2g s VAL 125 Cb 0.00 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3k2g s VAL 125 CO 0.00 0.24 1.21 -1.10 0.00 0.00 0.00 175.10 175.45 3k2g s GLN 126 N 1.10 4.49 -0.08 2.72 -0.21 -0.40 -4.35 119.66 122.92 3k2g s GLN 126 Ca 0.29 1.99 0.04 0.00 0.02 0.00 0.00 55.36 57.69 3k2g s GLN 126 Cb -0.16 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.70 3k2g s GLN 126 CO 0.12 -0.03 -0.20 0.08 -2.12 0.00 0.00 175.29 173.14 3k2g s VAL 127 N -0.80 1.72 0.46 1.09 1.01 -1.26 -0.43 120.40 122.19 3k2g s VAL 127 Ca 0.49 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3k2g s VAL 127 Cb -0.35 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.57 3k2g s VAL 127 CO 0.44 0.48 0.37 0.52 0.00 0.00 0.00 175.10 176.91 3k2g n VAL 128 N 3.57 0.00 -3.28 2.92 0.31 -0.64 -0.41 118.33 120.80 3k2g n VAL 128 Ca -0.20 -1.80 0.00 0.00 -0.01 0.00 0.00 64.34 62.33 3k2g n VAL 128 Cb 0.53 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 3k2g n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k2g n GLY 130 N -0.55 4.27 3.77 2.92 0.00 -0.75 -0.82 105.19 114.03 3k2g n GLY 130 Ca -0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 3k2g n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2g s ALA 131 N -1.82 -1.91 0.00 4.61 0.00 -1.21 -4.76 121.76 116.66 3k2g s ALA 131 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3k2g s ALA 131 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.73 3k2g s ALA 131 CO 0.00 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.11 3k2g n GLY 132 N -0.58 -1.93 3.72 0.00 0.00 -1.26 -2.07 105.19 103.08 3k2g n GLY 132 Ca -0.05 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 3k2g n GLY 132 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k2g s TYR 133 N -0.13 3.09 0.00 1.61 2.02 -1.26 -1.33 117.35 121.35 3k2g s TYR 133 Ca 0.00 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 3k2g s TYR 133 Cb 0.00 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 3k2g s TYR 133 CO 0.00 0.50 0.00 0.98 -1.57 0.00 0.00 175.55 175.46 3k2g n TYR 134 N 0.66 0.00 -1.81 2.71 9.36 -1.24 -1.77 117.16 125.08 3k2g n TYR 134 Ca -0.10 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.75 3k2g n TYR 134 Cb 0.52 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.29 3k2g n TYR 134 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3k2g s LEU 135 N 0.00 3.59 0.29 2.98 1.43 -1.26 -3.82 118.68 121.88 3k2g s LEU 135 Ca 0.00 2.54 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 3k2g s LEU 135 Cb 0.00 -4.61 0.62 0.00 0.03 0.00 0.00 46.19 42.23 3k2g s LEU 135 CO 0.00 -1.90 1.59 0.00 0.23 0.00 0.00 176.35 176.27 3k2g h ALA 136 N 0.60 0.97 -0.19 4.21 0.00 -1.97 0.66 119.26 123.55 3k2g h ALA 136 Ca -0.51 0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3k2g h ALA 136 Cb 1.32 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 3k2g h ALA 136 CO 0.53 -0.50 0.14 0.77 0.00 0.00 0.00 179.25 180.20 3k2g h SER 137 N 0.03 0.00 -2.51 0.00 0.02 -2.01 -3.46 113.55 105.63 3k2g h SER 137 Ca 0.53 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.75 3k2g h SER 137 Cb 1.01 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.36 3k2g h SER 137 CO -0.88 0.00 0.96 -0.94 -1.14 0.00 0.00 176.83 174.83 3k2g s SER 138 N -6.59 6.87 0.17 3.07 1.04 0.22 -5.04 113.70 113.45 3k2g s SER 138 Ca -0.05 -2.60 0.10 0.00 0.48 0.00 0.00 55.95 53.88 3k2g s SER 138 Cb 0.17 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 3k2g s SER 138 CO 0.67 -0.84 -0.20 -2.16 0.98 0.00 0.00 173.24 171.68 3k2g s PRO 140 N 1.74 1.36 0.34 4.02 0.04 -1.26 -4.44 135.00 136.79 3k2g s PRO 140 Ca 0.35 -1.44 0.12 0.00 0.04 0.00 0.00 61.00 60.07 3k2g s PRO 140 Cb -0.05 -1.52 1.05 0.00 0.04 0.00 0.00 34.50 34.02 3k2g s PRO 140 CO -0.05 0.32 1.60 1.49 0.04 0.00 0.00 177.00 180.40 3k2g h GLU 141 N 3.25 0.08 0.00 4.56 4.57 -2.00 -0.32 114.58 124.72 3k2g h GLU 141 Ca -0.44 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.69 3k2g h GLU 141 Cb 1.21 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3k2g h GLU 141 CO 0.49 0.06 -0.22 1.79 -1.18 0.00 0.00 179.01 179.95 3k2g h THR 142 N 0.09 0.91 -0.51 0.32 1.35 -2.03 -3.22 112.91 109.81 3k2g h THR 142 Ca 0.72 -0.82 0.06 0.00 -0.55 0.00 0.00 66.41 65.82 3k2g h THR 142 Cb 1.71 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 69.58 3k2g h THR 142 CO -0.77 0.21 0.34 0.00 -0.25 0.00 0.00 175.52 175.06 3k2g h ALA 143 N 1.78 1.90 -0.81 6.62 0.00 -1.46 -2.69 119.26 124.60 3k2g h ALA 143 Ca -0.00 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3k2g h ALA 143 Cb 0.46 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3k2g h ALA 143 CO 0.03 0.01 0.53 0.00 0.00 0.00 0.00 179.25 179.82 3k2g h ALA 144 N 1.72 2.01 0.00 0.00 0.00 -1.72 -0.84 119.26 120.43 3k2g h ALA 144 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k2g h ALA 144 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3k2g h ALA 144 CO -0.06 -0.22 -0.22 0.54 0.00 0.00 0.00 179.25 179.28 3k2g n ARG 145 N -4.51 0.15 -2.64 0.00 1.74 -1.01 -4.88 116.66 105.50 3k2g n ARG 145 Ca 0.15 0.09 -0.40 0.00 -0.77 0.00 0.00 57.85 56.92 3k2g n ARG 145 Cb 0.51 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.26 3k2g n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k2g s LEU 146 N -3.75 4.61 0.55 0.55 1.43 -0.32 -5.06 118.68 116.68 3k2g s LEU 146 Ca 0.11 2.08 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 3k2g s LEU 146 Cb 0.15 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.79 3k2g s LEU 146 CO 0.62 0.04 0.77 -0.94 0.23 0.00 0.00 176.35 177.07 3k2g s SER 147 N -1.04 5.26 0.20 2.29 1.04 -1.26 -4.92 113.70 115.27 3k2g s SER 147 Ca 0.42 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 3k2g s SER 147 Cb -0.28 -0.84 0.19 0.00 0.10 0.00 0.00 66.02 65.19 3k2g s SER 147 CO 0.36 -1.15 1.83 0.00 0.98 0.00 0.00 173.24 175.26 3k2g h ALA 148 N 0.08 0.87 -0.29 5.32 0.00 -1.98 -1.22 119.26 122.03 3k2g h ALA 148 Ca -0.42 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 3k2g h ALA 148 Cb 1.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3k2g h ALA 148 CO 0.52 0.13 -0.18 -0.44 0.00 0.00 0.00 179.25 179.28 3k2g h ASP 149 N 0.76 0.52 -0.77 0.00 3.32 -1.93 -0.83 116.42 117.49 3k2g h ASP 149 Ca 0.27 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3k2g h ASP 149 Cb 0.07 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3k2g h ASP 149 CO -0.13 0.71 0.36 0.44 -1.72 0.00 0.00 179.24 178.90 3k2g h ASP 150 N 0.47 1.02 -0.48 6.45 3.32 -1.65 0.17 116.42 125.72 3k2g h ASP 150 Ca 0.08 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3k2g h ASP 150 Cb 0.58 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3k2g h ASP 150 CO 0.04 0.87 0.01 0.40 -1.72 0.00 0.00 179.24 178.84 3k2g h ILE 151 N 1.09 1.26 -0.56 0.35 2.04 -0.88 -1.91 117.51 118.90 3k2g h ILE 151 Ca 0.26 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3k2g h ILE 151 Cb 0.13 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3k2g h ILE 151 CO -0.03 0.37 0.37 0.00 0.00 0.00 0.00 178.15 178.86 3k2g h ALA 152 N 0.93 0.71 -0.68 1.87 0.00 -0.67 -2.31 119.26 119.11 3k2g h ALA 152 Ca 0.14 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3k2g h ALA 152 Cb 0.50 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3k2g h ALA 152 CO 0.02 0.15 0.41 -0.44 0.00 0.00 0.00 179.25 179.39 3k2g h ASP 153 N 0.76 0.66 -0.59 0.00 3.32 -0.33 -0.62 116.42 119.63 3k2g h ASP 153 Ca 0.20 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3k2g h ASP 153 Cb -0.09 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3k2g h ASP 153 CO -0.04 0.45 0.37 -0.33 -1.72 0.00 0.00 179.24 177.96 3k2g h GLU 154 N 0.79 0.72 -0.41 3.56 5.08 -0.91 -1.24 114.58 122.17 3k2g h GLU 154 Ca 0.28 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3k2g h GLU 154 Cb 0.06 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3k2g h GLU 154 CO -0.13 0.48 0.14 0.82 -1.00 0.00 0.00 179.01 179.32 3k2g h ILE 155 N 0.74 1.21 -0.73 3.13 2.04 -0.89 -2.42 117.51 120.59 3k2g h ILE 155 Ca 0.23 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3k2g h ILE 155 Cb -0.02 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3k2g h ILE 155 CO -0.08 0.24 0.43 0.58 0.00 0.00 0.00 178.15 179.33 3k2g h VAL 156 N 0.52 1.02 -0.53 1.67 2.07 -0.73 -1.72 116.25 118.56 3k2g h VAL 156 Ca 0.13 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3k2g h VAL 156 Cb 0.23 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3k2g h VAL 156 CO -0.01 0.15 0.22 0.00 0.02 0.00 0.00 177.57 177.95 3k2g h ALA 157 N 1.35 1.41 0.00 1.67 0.00 -0.98 -0.71 119.26 122.00 3k2g h ALA 157 Ca 0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3k2g h ALA 157 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3k2g h ALA 157 CO -0.16 0.46 -0.33 0.93 0.00 0.00 0.00 179.25 180.15 3k2g h GLU 158 N 0.75 0.00 0.00 0.00 5.08 -0.87 0.47 114.58 120.01 3k2g h GLU 158 Ca 0.18 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.30 3k2g h GLU 158 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3k2g h GLU 158 CO -0.02 0.33 -1.25 0.00 -1.00 0.00 0.00 179.01 177.07 3k2g h ALA 159 N 1.67 0.49 0.00 3.43 0.00 -0.63 -2.22 119.26 121.99 3k2g h ALA 159 Ca -0.00 -1.10 -0.35 0.00 0.00 0.00 0.00 54.91 53.45 3k2g h ALA 159 Cb 1.00 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3k2g h ALA 159 CO 0.04 1.36 -2.29 1.28 0.00 0.00 0.00 179.25 179.65 3k2g n LEU 160 N -3.25 2.60 -0.03 0.00 4.77 -0.34 -4.68 117.00 116.06 3k2g n LEU 160 Ca -0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.89 3k2g n LEU 160 Cb 0.98 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3k2g n LEU 160 CO 0.46 0.76 -0.21 -0.62 -1.33 0.00 0.00 177.39 176.46 3k2g n GLU 161 N -3.42 0.20 -3.18 3.23 1.02 0.16 -5.07 120.64 113.58 3k2g n GLU 161 Ca -0.42 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3k2g n GLU 161 Cb 0.89 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 3k2g n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k2g n GLY 162 N 1.60 -1.36 2.91 0.62 0.00 -0.79 -4.77 105.19 103.39 3k2g n GLY 162 Ca -0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 3k2g n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k2g s THR 163 N -2.39 0.12 -1.62 2.61 -4.23 -0.38 -3.62 115.64 106.13 3k2g s THR 163 Ca 0.00 -0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 3k2g s THR 163 Cb 0.00 -0.13 0.12 0.00 1.34 0.00 0.00 72.50 73.83 3k2g s THR 163 CO 0.00 -0.02 0.78 -0.67 -0.54 0.00 0.00 174.62 174.16 3k2g n ASP 164 N 2.89 -3.17 0.00 3.99 2.03 -1.26 -0.63 116.55 120.40 3k2g n ASP 164 Ca -0.13 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3k2g n ASP 164 Cb 0.59 -3.04 0.00 0.00 -0.72 0.00 0.00 41.12 37.95 3k2g n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k2g n GLY 165 N -1.55 0.46 3.66 0.27 0.00 -1.26 -5.01 105.19 101.76 3k2g n GLY 165 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3k2g n GLY 165 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k2g s THR 166 N -1.98 1.92 -1.52 2.61 -4.23 0.20 -5.03 115.64 107.61 3k2g s THR 166 Ca 0.00 -1.96 0.14 0.00 -1.18 0.00 0.00 61.69 58.69 3k2g s THR 166 Cb 0.00 -2.88 0.49 0.00 1.34 0.00 0.00 72.50 71.45 3k2g s THR 166 CO 0.00 0.00 1.37 -0.90 -0.54 0.00 0.00 174.62 174.55 3k2g n ASP 167 N -1.05 3.21 -4.73 3.99 5.75 -1.26 -1.76 116.55 120.70 3k2g n ASP 167 Ca -0.06 -2.20 -0.41 0.00 -0.01 0.00 0.00 54.79 52.10 3k2g n ASP 167 Cb 0.67 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 40.29 3k2g n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k2g s ALA 168 N -1.60 3.35 0.17 2.12 0.00 -1.26 -4.75 121.76 119.79 3k2g s ALA 168 Ca 0.35 0.78 0.10 0.00 0.00 0.00 0.00 51.96 53.19 3k2g s ALA 168 Cb 0.21 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3k2g s ALA 168 CO 0.19 -0.25 -0.17 1.03 0.00 0.00 0.00 175.76 176.56 3k2g s ARG 169 N 0.09 1.79 0.59 0.00 0.52 -1.26 -1.24 118.95 119.43 3k2g s ARG 169 Ca 0.52 -1.33 -0.15 0.00 -0.52 0.00 0.00 55.73 54.24 3k2g s ARG 169 Cb -0.28 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 3k2g s ARG 169 CO 0.33 0.43 1.04 0.96 0.02 0.00 0.00 175.30 178.08 3k2g s ILE 170 N -1.53 4.00 0.00 1.52 -4.36 -0.84 -4.57 121.20 115.43 3k2g s ILE 170 Ca 0.21 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.51 3k2g s ILE 170 Cb -0.09 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 40.15 3k2g s ILE 170 CO 0.12 -0.60 0.42 0.61 0.24 0.00 0.00 174.94 175.74 3k2g n GLY 171 N -1.25 -1.12 3.39 6.27 0.00 -1.26 -4.73 105.19 106.48 3k2g n GLY 171 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 3k2g n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k2g s LEU 172 N -0.25 0.12 -0.59 0.99 2.96 -1.26 -4.48 118.68 116.17 3k2g s LEU 172 Ca 0.00 0.72 -0.19 0.00 -0.22 0.00 0.00 54.13 54.44 3k2g s LEU 172 Cb 0.00 1.78 0.10 0.00 0.50 0.00 0.00 46.19 48.57 3k2g s LEU 172 CO 0.00 -0.33 0.72 -0.63 -1.32 0.00 0.00 176.35 174.79 3k2g s ILE 173 N -0.43 4.78 -0.02 6.68 1.01 -0.21 -3.36 121.20 129.66 3k2g s ILE 173 Ca -0.06 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 3k2g s ILE 173 Cb -0.03 -4.49 0.01 0.00 0.01 0.00 0.00 42.46 37.95 3k2g s ILE 173 CO 0.03 -1.13 0.18 -0.83 0.00 0.00 0.00 174.94 173.19 3k2g s GLY 174 N 3.56 -0.03 -0.16 6.18 0.00 -0.88 -4.29 107.32 111.70 3k2g s GLY 174 Ca 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.95 3k2g s GLY 174 CO 0.07 -0.02 0.14 -2.21 0.00 0.00 0.00 173.10 171.08 3k2g n GLU 175 N 1.83 -0.44 -2.61 2.90 4.07 -1.26 -3.98 120.64 121.15 3k2g n GLU 175 Ca -0.20 0.13 -0.42 0.00 -0.06 0.00 0.00 57.16 56.61 3k2g n GLU 175 Cb 0.56 -2.29 -0.03 0.00 -0.06 0.00 0.00 31.44 29.62 3k2g n GLU 175 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3k2g s ILE 176 N -3.06 4.50 -0.11 6.31 -1.09 -1.26 -4.53 121.20 121.96 3k2g s ILE 176 Ca 0.06 1.85 -0.30 0.00 -2.23 0.00 0.00 60.65 60.03 3k2g s ILE 176 Cb -0.01 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 3k2g s ILE 176 CO 0.11 0.18 1.06 -0.83 -1.23 0.00 0.00 174.94 174.23 3k2g s GLY 177 N 0.81 2.20 -0.19 6.18 0.00 -0.73 -0.97 107.32 114.62 3k2g s GLY 177 Ca 0.53 0.41 -0.02 0.00 0.00 0.00 0.00 44.72 45.65 3k2g s GLY 177 CO 0.29 2.03 -0.00 0.14 0.00 0.00 0.00 173.10 175.56 3k2g s VAL 178 N 2.23 0.84 0.69 1.40 1.01 -1.17 -4.55 120.40 120.85 3k2g s VAL 178 Ca 0.50 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3k2g s VAL 178 Cb -0.19 -1.23 0.10 0.00 0.00 0.00 0.00 36.38 35.05 3k2g s VAL 178 CO 0.17 -0.11 0.96 -0.94 0.00 0.00 0.00 175.10 175.18 3k2g s SER 179 N 1.72 4.59 0.51 3.32 1.04 -1.26 -3.41 113.70 120.20 3k2g s SER 179 Ca -0.02 -0.11 0.34 0.00 0.48 0.00 0.00 55.95 56.64 3k2g s SER 179 Cb -0.17 -0.42 1.69 0.00 0.10 0.00 0.00 66.02 67.22 3k2g s SER 179 CO -0.07 -1.68 2.03 0.77 0.98 0.00 0.00 173.24 175.27 3k2g h SER 180 N -0.44 0.00 0.67 7.02 4.64 -1.97 0.03 113.55 123.50 3k2g h SER 180 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3k2g h SER 180 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3k2g h SER 180 CO 0.46 0.00 -0.70 0.47 -0.87 0.00 0.00 176.83 176.19 3k2g n ASP 181 N -2.79 0.63 -4.02 4.97 8.00 -1.26 -4.98 116.55 117.10 3k2g n ASP 181 Ca -0.01 -0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.04 3k2g n ASP 181 Cb 0.15 0.34 0.02 0.00 -0.02 0.00 0.00 41.12 41.61 3k2g n ASP 181 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3k2g n PHE 182 N -1.94 -1.22 -0.65 1.24 -0.00 -0.01 -4.85 117.46 110.04 3k2g n PHE 182 Ca 0.03 0.08 -0.30 0.00 -0.00 0.00 0.00 57.45 57.26 3k2g n PHE 182 Cb 0.42 -2.39 0.20 0.00 -0.00 0.00 0.00 39.48 37.71 3k2g n PHE 182 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3k2g s THR 183 N -3.67 2.07 0.30 -2.13 -4.23 -1.26 -4.70 115.64 102.03 3k2g s THR 183 Ca 0.41 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 3k2g s THR 183 Cb -0.23 -2.07 0.28 0.00 1.34 0.00 0.00 72.50 71.82 3k2g s THR 183 CO 0.85 -0.03 1.93 0.00 -0.54 0.00 0.00 174.62 176.82 3k2g h ALA 184 N -2.14 1.49 -0.35 3.99 0.00 -1.99 0.02 119.26 120.29 3k2g h ALA 184 Ca -0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3k2g h ALA 184 Cb 1.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3k2g h ALA 184 CO 0.45 0.40 0.18 0.93 0.00 0.00 0.00 179.25 181.21 3k2g h GLU 185 N 1.05 0.49 -0.56 0.00 5.08 -1.99 -0.42 114.58 118.23 3k2g h GLU 185 Ca 0.37 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3k2g h GLU 185 Cb 0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3k2g h GLU 185 CO -0.12 0.42 0.01 0.93 -1.00 0.00 0.00 179.01 179.24 3k2g h GLU 186 N 0.43 0.96 -0.57 2.33 5.08 -1.64 0.14 114.58 121.31 3k2g h GLU 186 Ca 0.12 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 3k2g h GLU 186 Cb 0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3k2g h GLU 186 CO -0.02 0.94 0.01 1.49 -1.00 0.00 0.00 179.01 180.43 3k2g h GLU 187 N 0.89 0.99 -0.57 2.33 4.81 -0.77 0.11 114.58 122.37 3k2g h GLU 187 Ca 0.16 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3k2g h GLU 187 Cb 0.51 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3k2g h GLU 187 CO 0.03 0.99 0.25 -0.22 -0.73 0.00 0.00 179.01 179.32 3k2g h LYS 188 N 0.88 0.83 -0.57 1.92 3.64 -0.78 -0.18 116.57 122.32 3k2g h LYS 188 Ca 0.16 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3k2g h LYS 188 Cb 0.53 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3k2g h LYS 188 CO 0.03 0.70 0.31 1.03 -2.27 0.00 0.00 179.45 179.25 3k2g h SER 189 N 0.77 0.71 -0.31 4.20 0.87 -0.54 -1.79 113.55 117.46 3k2g h SER 189 Ca 0.19 -0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 3k2g h SER 189 Cb 0.17 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3k2g h SER 189 CO -0.02 0.60 -0.26 0.25 -0.53 0.00 0.00 176.83 176.87 3k2g h LEU 190 N 0.77 0.84 -1.05 2.23 5.85 -0.47 -1.52 115.31 121.95 3k2g h LEU 190 Ca 0.20 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3k2g h LEU 190 Cb 0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3k2g h LEU 190 CO -0.03 1.06 0.01 0.03 -0.34 0.00 0.00 178.44 179.17 3k2g h ARG 191 N 0.70 0.69 -0.54 1.25 3.08 -0.85 -0.21 114.38 118.50 3k2g h ARG 191 Ca 0.09 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3k2g h ARG 191 Cb 0.80 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3k2g h ARG 191 CO 0.07 0.70 -0.13 0.78 -1.07 0.00 0.00 179.97 180.31 3k2g h GLY 192 N 0.93 1.12 1.07 0.04 0.00 -1.01 -1.15 103.07 104.07 3k2g h GLY 192 Ca 0.13 -0.93 -0.09 0.00 0.00 0.00 0.00 47.33 46.45 3k2g h GLY 192 CO 0.01 0.85 0.03 0.00 0.00 0.00 0.00 176.54 177.43 3k2g h ALA 193 N 0.92 0.82 -0.55 3.60 0.00 -0.82 -1.28 119.26 121.94 3k2g h ALA 193 Ca 0.14 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3k2g h ALA 193 Cb 0.71 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3k2g h ALA 193 CO 0.05 0.64 -0.09 0.00 0.00 0.00 0.00 179.25 179.85 3k2g h ALA 194 N 1.00 0.78 -0.12 0.00 0.00 -0.88 0.07 119.26 120.11 3k2g h ALA 194 Ca 0.18 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3k2g h ALA 194 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3k2g h ALA 194 CO 0.03 0.67 -0.38 0.00 0.00 0.00 0.00 179.25 179.57 3k2g h ARG 195 N 0.93 0.26 -0.14 0.00 3.08 -1.07 -2.30 114.38 115.14 3k2g h ARG 195 Ca 0.15 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 3k2g h ARG 195 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3k2g h ARG 195 CO 0.05 0.61 -0.49 0.00 -1.07 0.00 0.00 179.97 179.06 3k2g h ALA 196 N 1.38 0.89 -0.71 0.04 0.00 -0.81 -1.33 119.26 118.72 3k2g h ALA 196 Ca 0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3k2g h ALA 196 Cb 0.78 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3k2g h ALA 196 CO 0.06 0.66 0.38 0.37 0.00 0.00 0.00 179.25 180.72 3k2g h GLN 197 N 0.30 1.00 -0.21 0.00 -0.00 -0.46 0.31 115.11 116.04 3k2g h GLN 197 Ca 0.01 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.50 3k2g h GLN 197 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 28.26 3k2g h GLN 197 CO 0.08 0.76 -0.03 0.28 0.00 0.00 0.00 178.83 179.92 3k2g h VAL 198 N 0.99 1.27 -0.44 2.39 2.07 -1.18 0.72 116.25 122.06 3k2g h VAL 198 Ca 0.25 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 3k2g h VAL 198 Cb 0.06 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3k2g h VAL 198 CO -0.04 0.30 -0.17 0.03 0.02 0.00 0.00 177.57 177.71 3k2g h ARG 199 N 0.13 0.89 0.00 1.57 3.08 -0.94 -3.33 114.38 115.78 3k2g h ARG 199 Ca 0.06 -0.37 -0.13 0.00 0.07 0.00 0.00 59.98 59.60 3k2g h ARG 199 Cb 0.46 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3k2g h ARG 199 CO 0.02 1.02 -1.45 0.25 -1.07 0.00 0.00 179.97 178.74 3k2g n THR 200 N -4.21 0.98 -1.04 2.04 -2.24 0.10 -2.51 114.28 107.39 3k2g n THR 200 Ca -0.01 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 61.10 3k2g n THR 200 Cb 0.42 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 3k2g n THR 200 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k2g n GLY 201 N 1.36 0.52 3.91 3.38 0.00 0.24 -0.49 105.19 114.10 3k2g n GLY 201 Ca -0.09 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 3k2g n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2g s LEU 202 N -0.35 3.98 0.78 0.99 1.43 -1.25 -0.43 118.68 123.84 3k2g s LEU 202 Ca 0.00 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 53.73 3k2g s LEU 202 Cb 0.00 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.69 3k2g s LEU 202 CO 0.00 -0.27 1.16 -2.84 0.23 0.00 0.00 176.35 174.63 3k2g s PRO 203 N -3.80 1.91 0.41 1.29 0.02 -1.26 -4.75 135.00 128.82 3k2g s PRO 203 Ca 0.45 1.56 0.00 0.00 0.02 0.00 0.00 61.00 63.03 3k2g s PRO 203 Cb -0.10 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.59 3k2g s PRO 203 CO 0.32 -1.97 0.01 -0.11 -0.33 0.00 0.00 177.00 174.92 3k2g n LEU 204 N -3.25 0.00 -3.49 -5.54 7.94 0.18 -1.04 117.00 111.79 3k2g n LEU 204 Ca 0.12 -2.60 0.03 0.00 -1.11 0.00 0.00 56.01 52.45 3k2g n LEU 204 Cb 0.51 0.32 -0.05 0.00 0.53 0.00 0.00 43.42 44.73 3k2g n LEU 204 CO 0.49 -0.37 0.99 -0.69 -1.11 0.00 0.00 177.39 176.70 3k2g s VAL 206 N -2.51 -0.02 -0.03 1.96 1.01 -0.01 0.43 120.40 121.24 3k2g s VAL 206 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3k2g s VAL 206 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3k2g s VAL 206 CO 0.01 0.00 1.22 -2.28 0.00 0.00 0.00 175.10 174.05 3k2g s HIS 207 N 1.36 3.19 0.04 5.22 5.65 -0.14 -1.27 115.29 129.34 3k2g s HIS 207 Ca -0.05 1.18 0.04 0.00 0.25 0.00 0.00 55.06 56.47 3k2g s HIS 207 Cb -0.02 -3.45 -0.04 0.00 -1.18 0.00 0.00 32.58 27.90 3k2g s HIS 207 CO -0.12 -1.45 -0.03 -0.51 -0.65 0.00 0.00 174.74 171.98 3k2g s LEU 208 N 2.04 3.34 -1.20 8.88 1.43 -1.24 -3.06 118.68 128.87 3k2g s LEU 208 Ca 0.57 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.31 3k2g s LEU 208 Cb -0.26 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3k2g s LEU 208 CO 0.24 0.24 1.87 -2.16 0.23 0.00 0.00 176.35 176.77 3k2g s PRO 209 N -1.83 2.90 0.36 1.29 0.04 -1.22 -4.80 135.00 131.75 3k2g s PRO 209 Ca 0.21 -1.35 0.25 0.00 0.04 0.00 0.00 61.00 60.15 3k2g s PRO 209 Cb -0.11 -5.32 1.27 0.00 0.04 0.00 0.00 34.50 30.38 3k2g s PRO 209 CO 0.12 -3.48 1.38 0.41 0.04 0.00 0.00 177.00 175.48 3k2g n GLY 210 N 5.77 -0.71 0.38 0.56 0.00 -1.26 -0.67 105.19 109.26 3k2g n GLY 210 Ca 0.45 0.69 0.09 0.00 0.00 0.00 0.00 46.02 47.25 3k2g n GLY 210 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3k2g n TRP 211 N -4.67 0.17 -3.84 1.61 8.01 -1.26 -4.04 117.44 113.42 3k2g n TRP 211 Ca 0.35 -0.08 -0.08 0.00 -1.31 0.00 0.00 57.50 56.38 3k2g n TRP 211 Cb 1.29 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 30.58 3k2g n TRP 211 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 3k2g n PHE 212 N -0.00 -0.64 -3.18 -5.99 3.72 0.15 -5.04 117.46 106.49 3k2g n PHE 212 Ca 0.14 -0.63 -0.22 0.00 -0.05 0.00 0.00 57.45 56.69 3k2g n PHE 212 Cb 0.24 -0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.62 3k2g n PHE 212 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3k2g n ARG 213 N -0.64 1.41 -0.13 -1.08 5.12 -1.26 -4.87 116.66 115.21 3k2g n ARG 213 Ca -0.03 -3.70 0.09 0.00 -1.93 0.00 0.00 57.85 52.29 3k2g n ARG 213 Cb 0.17 -1.69 0.15 0.00 -1.16 0.00 0.00 32.46 29.93 3k2g n ARG 213 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3k2g n LEU 214 N 0.62 2.97 -0.36 0.55 4.77 -1.26 -4.64 117.00 119.65 3k2g n LEU 214 Ca 0.25 -1.45 0.05 0.00 -0.03 0.00 0.00 56.01 54.84 3k2g n LEU 214 Cb 0.55 -0.17 0.21 0.00 -2.33 0.00 0.00 43.42 41.68 3k2g n LEU 214 CO 0.24 0.64 1.25 0.00 -1.33 0.00 0.00 177.39 178.19 3k2g h ALA 215 N 3.47 1.47 -0.11 -1.18 0.00 -1.95 0.78 119.26 121.75 3k2g h ALA 215 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3k2g h ALA 215 Cb 0.81 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3k2g h ALA 215 CO 0.00 0.33 -0.57 0.45 0.00 0.00 0.00 179.25 179.47 3k2g h HIS 216 N 1.08 0.42 -0.21 0.00 3.86 -1.97 -0.79 115.15 117.54 3k2g h HIS 216 Ca 0.46 -0.15 -0.16 0.00 -1.16 0.00 0.00 60.37 59.36 3k2g h HIS 216 Cb 0.32 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3k2g h HIS 216 CO -0.00 0.82 -0.53 -0.09 0.86 0.00 0.00 177.93 178.99 3k2g h ARG 217 N 0.25 0.61 0.06 2.45 2.43 -1.69 -0.76 114.38 117.73 3k2g h ARG 217 Ca 0.00 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3k2g h ARG 217 Cb 1.07 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3k2g h ARG 217 CO 0.09 0.98 -0.03 0.28 -1.51 0.00 0.00 179.97 179.79 3k2g h VAL 218 N 0.47 1.01 -0.32 0.20 2.07 -0.63 -2.13 116.25 116.92 3k2g h VAL 218 Ca 0.01 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3k2g h VAL 218 Cb 1.08 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3k2g h VAL 218 CO 0.10 0.05 0.05 -0.07 0.02 0.00 0.00 177.57 177.72 3k2g h LEU 219 N -0.17 0.43 -0.66 2.57 3.38 -1.04 -1.72 115.31 118.11 3k2g h LEU 219 Ca -0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3k2g h LEU 219 Cb 0.14 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3k2g h LEU 219 CO 0.01 0.46 0.40 0.44 0.09 0.00 0.00 178.44 179.84 3k2g h ASP 220 N 0.46 0.78 -0.26 -0.43 3.32 -0.81 0.46 116.42 119.94 3k2g h ASP 220 Ca 0.11 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3k2g h ASP 220 Cb 0.23 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3k2g h ASP 220 CO 0.00 0.61 -0.03 0.25 -1.72 0.00 0.00 179.24 178.35 3k2g h LEU 221 N 0.89 0.48 -0.15 1.55 6.46 -0.80 0.22 115.31 123.95 3k2g h LEU 221 Ca 0.24 -0.34 0.01 0.00 -0.12 0.00 0.00 57.88 57.67 3k2g h LEU 221 Cb -0.04 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 3k2g h LEU 221 CO -0.05 0.70 0.05 0.58 -0.62 0.00 0.00 178.44 179.11 3k2g h VAL 222 N 0.24 0.97 -0.89 1.05 2.07 -1.09 -1.21 116.25 117.39 3k2g h VAL 222 Ca 0.07 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3k2g h VAL 222 Cb 0.48 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3k2g h VAL 222 CO 0.02 0.02 0.54 -0.08 0.02 0.00 0.00 177.57 178.09 3k2g h GLU 223 N 0.13 1.20 -0.58 1.57 4.81 -0.86 -1.53 114.58 119.32 3k2g h GLU 223 Ca 0.06 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3k2g h GLU 223 Cb 0.03 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 3k2g h GLU 223 CO -0.06 0.84 0.24 1.49 -0.73 0.00 0.00 179.01 180.79 3k2g h GLU 224 N 1.22 0.83 -0.01 1.92 4.81 -0.36 -0.80 114.58 122.20 3k2g h GLU 224 Ca 0.32 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3k2g h GLU 224 Cb -0.05 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.18 3k2g h GLU 224 CO -0.06 0.68 0.00 0.39 -0.73 0.00 0.00 179.01 179.29 3k2g n GLU 225 N -4.33 1.07 -0.86 1.92 -0.58 -0.51 -4.89 120.64 112.45 3k2g n GLU 225 Ca 0.05 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3k2g n GLU 225 Cb 0.16 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3k2g n GLU 225 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k2g n GLY 226 N 0.92 0.65 3.77 0.62 0.00 -0.30 -4.70 105.19 106.15 3k2g n GLY 226 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3k2g n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2g s ALA 227 N -2.39 2.10 -0.56 4.61 0.00 -0.63 -4.87 121.76 120.02 3k2g s ALA 227 Ca 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.76 3k2g s ALA 227 Cb 0.00 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.98 3k2g s ALA 227 CO 0.00 -1.86 0.87 0.34 0.00 0.00 0.00 175.76 175.12 3k2g s ASP 228 N -3.58 6.29 0.52 0.00 -1.08 -1.26 -4.51 116.67 113.04 3k2g s ASP 228 Ca 0.61 -0.58 0.17 0.00 -0.52 0.00 0.00 52.55 52.23 3k2g s ASP 228 Cb -0.16 -2.40 1.30 0.00 -1.46 0.00 0.00 42.92 40.20 3k2g s ASP 228 CO 0.56 -1.18 2.14 -0.07 0.52 0.00 0.00 175.17 177.14 3k2g h LEU 229 N 10.74 0.00 0.00 -1.34 3.38 -1.93 -1.64 115.31 124.52 3k2g h LEU 229 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3k2g h LEU 229 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3k2g h LEU 229 CO 1.07 0.02 0.00 0.54 0.09 0.00 0.00 178.44 180.17 3k2g n ARG 230 N -4.44 0.64 -0.98 1.13 1.74 -1.26 -1.97 116.66 111.52 3k2g n ARG 230 Ca -0.03 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.09 3k2g n ARG 230 Cb 0.11 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.12 3k2g n ARG 230 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3k2g n HIS 231 N -1.00 0.00 -4.54 -1.55 8.25 -0.62 -4.86 115.22 110.90 3k2g n HIS 231 Ca 0.15 -0.67 -0.34 0.00 -0.26 0.00 0.00 57.72 56.60 3k2g n HIS 231 Cb 0.07 -0.15 -0.12 0.00 1.12 0.00 0.00 29.99 30.90 3k2g n HIS 231 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3k2g s THR 232 N -0.99 3.67 -0.18 1.59 2.01 -0.83 -0.65 115.64 120.26 3k2g s THR 232 Ca 0.28 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 3k2g s THR 232 Cb 0.30 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3k2g s THR 232 CO -0.10 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 3k2g s VAL 233 N 0.03 3.26 -0.48 3.82 1.01 0.17 -1.30 120.40 126.91 3k2g s VAL 233 Ca -0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 3k2g s VAL 233 Cb -0.14 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.86 3k2g s VAL 233 CO 0.03 0.47 0.55 -0.76 0.00 0.00 0.00 175.10 175.40 3k2g s LEU 234 N 0.95 5.03 0.70 3.92 1.43 -0.35 -0.83 118.68 129.54 3k2g s LEU 234 Ca -0.01 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 3k2g s LEU 234 Cb -0.15 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.68 3k2g s LEU 234 CO -0.00 -0.79 1.06 0.00 0.23 0.00 0.00 176.35 176.85 3k2g n HIS 236 N -3.18 -3.85 0.00 0.00 8.25 -1.13 -3.73 115.22 111.59 3k2g n HIS 236 Ca 0.08 2.30 0.00 0.00 -0.26 0.00 0.00 57.72 59.84 3k2g n HIS 236 Cb 0.53 -3.13 0.00 0.00 1.12 0.00 0.00 29.99 28.51 3k2g n HIS 236 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3k2g n ASN 238 N 1.89 0.00 0.32 0.41 5.03 -1.26 -4.25 115.26 117.40 3k2g n ASN 238 Ca 0.00 0.00 0.18 0.00 0.87 0.00 0.00 54.58 55.63 3k2g n ASN 238 Cb 0.00 0.00 0.97 0.00 -1.02 0.00 0.00 39.78 39.73 3k2g n ASN 238 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 3k2g h PRO 239 N 0.00 0.00 -0.59 3.52 0.11 -1.94 -1.72 132.00 131.39 3k2g h PRO 239 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3k2g h PRO 239 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3k2g h PRO 239 CO 0.00 0.00 0.08 -1.13 -0.21 0.00 0.00 178.00 176.74 3k2g n SER 240 N -2.89 5.24 -2.06 -2.05 3.41 -1.26 -4.86 113.62 109.16 3k2g n SER 240 Ca -0.02 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 3k2g n SER 240 Cb 0.20 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 3k2g n SER 240 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k2g n HIS 241 N 0.24 0.00 -2.56 7.33 1.44 -0.65 -4.48 115.22 116.54 3k2g n HIS 241 Ca 0.31 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 56.00 3k2g n HIS 241 Cb 1.22 -0.23 0.00 0.00 0.12 0.00 0.00 29.99 31.10 3k2g n HIS 241 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 3k2g n ASP 243 N 1.93 -0.32 -0.06 4.39 -0.08 -1.26 -4.73 116.55 116.42 3k2g n ASP 243 Ca 0.00 -0.06 0.12 0.00 -1.51 0.00 0.00 54.79 53.34 3k2g n ASP 243 Cb 0.00 -0.11 0.52 0.00 2.34 0.00 0.00 41.12 43.87 3k2g n ASP 243 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3k2g h PRO 244 N 0.90 0.35 -0.13 -0.67 0.13 -2.00 -1.75 132.00 128.84 3k2g h PRO 244 Ca -0.04 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3k2g h PRO 244 Cb 0.09 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 3k2g h PRO 244 CO 0.02 0.23 0.01 0.28 -0.23 0.00 0.00 178.00 178.31 3k2g h VAL 245 N 0.36 1.24 -0.01 1.56 2.07 -1.97 0.10 116.25 119.60 3k2g h VAL 245 Ca 0.26 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3k2g h VAL 245 Cb 0.56 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 3k2g h VAL 245 CO -0.07 0.23 -0.22 0.22 0.02 0.00 0.00 177.57 177.75 3k2g h TYR 246 N -0.04 -0.58 -0.41 1.57 3.20 -1.77 -1.11 116.97 117.83 3k2g h TYR 246 Ca 0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3k2g h TYR 246 Cb 0.35 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3k2g h TYR 246 CO 0.03 -0.30 0.13 1.96 -1.64 0.00 0.00 178.16 178.33 3k2g h GLN 247 N -0.34 0.64 -0.53 1.82 4.20 -1.29 -2.87 115.11 116.74 3k2g h GLN 247 Ca 0.06 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 3k2g h GLN 247 Cb 0.42 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3k2g h GLN 247 CO -0.21 0.64 -0.14 0.00 -0.67 0.00 0.00 178.83 178.45 3k2g h ALA 248 N 0.98 0.75 -0.01 3.87 0.00 -0.81 -1.84 119.26 122.20 3k2g h ALA 248 Ca 0.13 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3k2g h ALA 248 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3k2g h ALA 248 CO -0.00 0.67 -0.32 1.79 0.00 0.00 0.00 179.25 181.39 3k2g h THR 249 N 0.90 1.24 -0.07 0.00 1.35 -1.23 0.12 112.91 115.21 3k2g h THR 249 Ca 0.13 -1.13 -0.02 0.00 -0.55 0.00 0.00 66.41 64.84 3k2g h THR 249 Cb 0.71 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3k2g h THR 249 CO 0.05 0.32 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.53 3k2g h LEU 250 N 0.02 0.17 -1.30 3.87 3.38 -1.29 -2.31 115.31 117.85 3k2g h LEU 250 Ca -0.00 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.54 3k2g h LEU 250 Cb 0.58 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3k2g h LEU 250 CO 0.04 0.59 0.48 0.00 0.09 0.00 0.00 178.44 179.64 3k2g h ALA 251 N 0.59 1.51 -0.50 1.53 0.00 -0.93 -1.31 119.26 120.16 3k2g h ALA 251 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k2g h ALA 251 Cb 0.53 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3k2g h ALA 251 CO 0.01 0.43 0.21 0.37 0.00 0.00 0.00 179.25 180.28 3k2g h GLN 252 N 0.95 0.71 0.00 0.00 5.75 -0.62 -0.55 115.11 121.36 3k2g h GLN 252 Ca 0.28 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3k2g h GLN 252 Cb -0.05 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.37 3k2g h GLN 252 CO -0.07 0.58 0.00 0.54 -2.65 0.00 0.00 178.83 177.23 3k2g n ARG 253 N -4.36 0.13 0.00 1.69 1.74 -0.50 -4.87 116.66 110.49 3k2g n ARG 253 Ca 0.04 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 3k2g n ARG 253 Cb 0.15 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 3k2g n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k2g n GLY 254 N -0.29 2.03 3.78 -0.13 0.00 -0.21 -4.72 105.19 105.63 3k2g n GLY 254 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3k2g n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2g s ALA 255 N -2.22 2.57 0.27 4.61 0.00 -1.19 -4.02 121.76 121.77 3k2g s ALA 255 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 3k2g s ALA 255 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3k2g s ALA 255 CO 0.00 -1.08 0.86 -0.06 0.00 0.00 0.00 175.76 175.48 3k2g s PHE 256 N -2.22 3.72 -0.34 0.00 0.08 -0.42 -4.42 117.98 114.38 3k2g s PHE 256 Ca 0.68 1.65 -0.07 0.00 0.12 0.00 0.00 56.93 59.30 3k2g s PHE 256 Cb -0.21 -2.81 0.03 0.00 -0.57 0.00 0.00 43.02 39.46 3k2g s PHE 256 CO 0.37 0.29 0.12 -0.51 -0.10 0.00 0.00 175.22 175.40 3k2g s LEU 257 N -1.90 4.33 -0.35 -0.37 1.43 0.19 -1.21 118.68 120.80 3k2g s LEU 257 Ca 0.46 -1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 3k2g s LEU 257 Cb -0.19 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3k2g s LEU 257 CO 0.24 -0.32 0.37 -0.70 0.23 0.00 0.00 176.35 176.17 3k2g s GLU 258 N 1.45 3.53 -1.15 1.70 2.12 -0.34 -1.76 118.70 124.25 3k2g s GLU 258 Ca -0.00 -0.43 -0.10 0.00 0.36 0.00 0.00 54.97 54.80 3k2g s GLU 258 Cb -0.19 -3.81 0.25 0.00 0.26 0.00 0.00 34.13 30.63 3k2g s GLU 258 CO 0.04 -0.55 1.29 1.19 -0.54 0.00 0.00 175.26 176.68 3k2g n PHE 259 N 5.40 4.71 -2.37 5.30 3.72 0.95 -2.81 117.46 132.35 3k2g n PHE 259 Ca -0.09 -3.55 -0.42 0.00 -0.05 0.00 0.00 57.45 53.34 3k2g n PHE 259 Cb 0.49 -1.79 0.00 0.00 -0.94 0.00 0.00 39.48 37.25 3k2g n PHE 259 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3k2g n ASP 260 N 3.31 5.97 0.00 4.37 5.68 -1.26 -1.98 116.55 132.65 3k2g n ASP 260 Ca 0.28 -3.18 0.00 0.00 -0.50 0.00 0.00 54.79 51.39 3k2g n ASP 260 Cb 0.39 -1.41 0.00 0.00 -1.14 0.00 0.00 41.12 38.96 3k2g n ASP 260 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3k2g n ILE 262 N 2.58 0.00 -0.64 2.12 2.08 -0.75 -1.47 119.36 123.29 3k2g n ILE 262 Ca 0.43 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.74 3k2g n ILE 262 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 3k2g n ILE 262 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k2g n GLY 263 N 1.24 0.47 0.00 7.39 0.00 -1.26 -4.53 105.19 108.50 3k2g n GLY 263 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3k2g n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k2g n ASP 265 N -0.47 0.00 -4.71 1.61 5.68 -1.26 -4.99 116.55 112.41 3k2g n ASP 265 Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 3k2g n ASP 265 Cb 0.21 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.33 3k2g n ASP 265 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3k2g s PHE 266 N 0.00 2.05 -0.22 2.11 0.08 -1.26 -4.55 117.98 116.19 3k2g s PHE 266 Ca 0.00 1.66 -0.03 0.00 0.12 0.00 0.00 56.93 58.68 3k2g s PHE 266 Cb 0.00 -3.20 -0.00 0.00 -0.57 0.00 0.00 43.02 39.25 3k2g s PHE 266 CO 0.00 -2.39 -0.07 0.12 -0.10 0.00 0.00 175.22 172.78 3k2g s PHE 267 N -2.77 2.94 -0.84 0.36 5.36 -0.75 -1.73 117.98 120.55 3k2g s PHE 267 Ca 0.64 -1.10 -0.20 0.00 -0.96 0.00 0.00 56.93 55.31 3k2g s PHE 267 Cb -0.20 -2.07 0.11 0.00 -0.34 0.00 0.00 43.02 40.51 3k2g s PHE 267 CO 0.57 -0.61 1.08 0.71 -1.46 0.00 0.00 175.22 175.51 3k2g s TYR 268 N 1.44 2.96 0.28 10.12 2.02 -0.25 -3.11 117.35 130.79 3k2g s TYR 268 Ca 0.05 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.65 3k2g s TYR 268 Cb -0.14 -4.29 0.64 0.00 -0.40 0.00 0.00 41.96 37.76 3k2g s TYR 268 CO -0.05 -1.55 1.67 0.00 -1.57 0.00 0.00 175.55 174.05 3k2g h ALA 269 N 9.11 1.20 0.12 3.71 0.00 -1.85 0.72 119.26 132.27 3k2g h ALA 269 Ca 0.01 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3k2g h ALA 269 Cb 1.04 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3k2g h ALA 269 CO 1.14 -0.40 -0.32 0.38 0.00 0.00 0.00 179.25 180.06 3k2g h ASP 270 N 0.26 -0.91 1.05 0.00 2.03 -1.91 -2.91 116.42 114.03 3k2g h ASP 270 Ca 0.51 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.92 3k2g h ASP 270 Cb 0.98 0.34 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 3k2g h ASP 270 CO -0.59 -0.41 -0.37 1.67 -1.03 0.00 0.00 179.24 178.52 3k2g n GLN 271 N -5.42 0.24 -2.97 4.15 7.27 -0.77 -4.95 117.38 114.94 3k2g n GLN 271 Ca -0.07 0.12 -0.16 0.00 0.07 0.00 0.00 57.00 56.96 3k2g n GLN 271 Cb 0.33 -1.70 0.04 0.00 2.41 0.00 0.00 30.24 31.31 3k2g n GLN 271 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k2g n GLY 272 N 1.35 -0.16 3.30 1.69 0.00 0.24 -5.02 105.19 106.60 3k2g n GLY 272 Ca 0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3k2g n GLY 272 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k2g s VAL 273 N -3.08 1.80 -0.12 1.61 -7.23 -1.16 -4.98 120.40 107.25 3k2g s VAL 273 Ca 0.29 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 3k2g s VAL 273 Cb -0.13 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 3k2g s VAL 273 CO 0.35 -0.05 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.44 3k2g s GLN 274 N -1.97 3.32 0.22 4.82 2.00 -1.26 -1.10 119.66 125.69 3k2g s GLN 274 Ca 0.08 -0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 52.56 3k2g s GLN 274 Cb -0.10 -2.73 -0.08 0.00 0.80 0.00 0.00 33.01 30.90 3k2g s GLN 274 CO 0.05 0.35 1.10 0.00 -0.50 0.00 0.00 175.29 176.29 3k2g s PRO 276 N -0.77 0.68 0.56 0.00 0.04 -1.26 -4.77 135.00 129.48 3k2g s PRO 276 Ca 0.48 0.43 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 3k2g s PRO 276 Cb -0.30 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3k2g s PRO 276 CO 0.37 -2.54 0.89 -1.54 0.04 0.00 0.00 177.00 174.23 3k2g s SER 277 N -3.67 5.99 0.33 6.66 1.04 -1.26 -4.71 113.70 118.08 3k2g s SER 277 Ca 0.65 0.98 0.06 0.00 0.48 0.00 0.00 55.95 58.12 3k2g s SER 277 Cb -0.17 -2.11 0.57 0.00 0.10 0.00 0.00 66.02 64.41 3k2g s SER 277 CO 0.56 -0.84 1.79 0.44 0.98 0.00 0.00 173.24 176.17 3k2g h ASP 278 N -0.08 0.32 -0.45 7.02 3.32 -1.97 -1.92 116.42 122.67 3k2g h ASP 278 Ca -0.46 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.47 3k2g h ASP 278 Cb 1.22 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3k2g h ASP 278 CO 0.62 0.57 0.18 0.44 -1.72 0.00 0.00 179.24 179.32 3k2g h ASP 279 N 0.29 0.62 -0.81 6.45 3.32 -1.99 0.27 116.42 124.57 3k2g h ASP 279 Ca 0.05 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3k2g h ASP 279 Cb 0.59 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3k2g h ASP 279 CO 0.04 0.61 0.47 -0.33 -1.72 0.00 0.00 179.24 178.31 3k2g h GLU 280 N 0.58 1.12 -0.34 3.56 5.08 -1.86 -1.59 114.58 121.13 3k2g h GLU 280 Ca 0.15 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3k2g h GLU 280 Cb 0.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3k2g h GLU 280 CO -0.01 0.81 -0.37 0.28 -1.00 0.00 0.00 179.01 178.72 3k2g h VAL 281 N 1.12 1.28 -0.59 3.13 2.07 -1.01 -2.65 116.25 119.60 3k2g h VAL 281 Ca 0.29 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.30 3k2g h VAL 281 Cb -0.00 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3k2g h VAL 281 CO -0.05 0.50 0.36 0.00 0.02 0.00 0.00 177.57 178.40 3k2g h ALA 282 N 0.93 0.76 -0.66 1.67 0.00 -0.04 -0.81 119.26 121.11 3k2g h ALA 282 Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3k2g h ALA 282 Cb 0.92 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3k2g h ALA 282 CO 0.08 0.10 0.26 0.00 0.00 0.00 0.00 179.25 179.69 3k2g h ARG 283 N 0.71 1.00 -0.41 0.00 3.08 -1.19 -0.36 114.38 117.22 3k2g h ARG 283 Ca 0.24 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3k2g h ARG 283 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3k2g h ARG 283 CO -0.10 0.84 0.26 0.00 -1.07 0.00 0.00 179.97 179.90 3k2g h ALA 284 N 1.11 0.52 -0.82 0.04 0.00 -1.06 0.93 119.26 119.99 3k2g h ALA 284 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3k2g h ALA 284 Cb 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3k2g h ALA 284 CO -0.02 -0.00 0.47 0.82 0.00 0.00 0.00 179.25 180.52 3k2g h ILE 285 N 0.55 1.24 -0.65 0.00 2.04 -0.92 -0.07 117.51 119.69 3k2g h ILE 285 Ca 0.15 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3k2g h ILE 285 Cb -0.03 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 3k2g h ILE 285 CO -0.03 0.26 0.31 0.25 0.00 0.00 0.00 178.15 178.94 3k2g h LEU 286 N 1.13 0.86 -0.32 1.44 5.85 -0.52 -1.21 115.31 122.54 3k2g h LEU 286 Ca 0.29 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3k2g h LEU 286 Cb -0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3k2g h LEU 286 CO -0.05 0.75 0.18 1.23 -0.34 0.00 0.00 178.44 180.21 3k2g h GLY 287 N 0.90 0.47 1.08 3.75 0.00 0.00 -0.33 103.07 108.95 3k2g h GLY 287 Ca 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3k2g h GLY 287 CO -0.03 0.20 0.44 1.41 0.00 0.00 0.00 176.54 178.56 3k2g h LEU 288 N 0.40 1.07 -0.45 3.11 3.38 -0.82 -2.29 115.31 119.72 3k2g h LEU 288 Ca 0.11 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3k2g h LEU 288 Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3k2g h LEU 288 CO -0.02 0.88 -0.02 0.00 0.09 0.00 0.00 178.44 179.37 3k2g h ALA 289 N 1.29 0.60 0.00 1.53 0.00 -0.91 -0.65 119.26 121.13 3k2g h ALA 289 Ca 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k2g h ALA 289 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3k2g h ALA 289 CO -0.04 0.41 -0.00 -0.44 0.00 0.00 0.00 179.25 179.18 3k2g h ASP 290 N 0.64 0.00 -0.45 0.00 3.32 -0.71 -0.81 116.42 118.41 3k2g h ASP 290 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3k2g h ASP 290 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3k2g h ASP 290 CO 0.03 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.96 3k2g n HIS 291 N -4.34 1.24 -1.01 4.55 8.25 -0.89 -4.92 115.22 118.10 3k2g n HIS 291 Ca -0.03 -0.46 -0.00 0.00 -0.26 0.00 0.00 57.72 56.96 3k2g n HIS 291 Cb 0.09 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 30.93 3k2g n HIS 291 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k2g n GLY 292 N 0.74 0.40 1.09 -1.41 0.00 -0.31 -4.96 105.19 100.73 3k2g n GLY 292 Ca 0.19 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.19 3k2g n GLY 292 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k2g n TYR 293 N -2.99 1.17 -0.32 1.61 4.01 -0.29 -4.70 117.16 115.64 3k2g n TYR 293 Ca -0.00 -1.02 0.09 0.00 -0.16 0.00 0.00 57.90 56.81 3k2g n TYR 293 Cb 0.01 -0.39 0.30 0.00 -0.31 0.00 0.00 39.34 38.95 3k2g n TYR 293 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3k2g h LEU 294 N 1.85 0.81 0.00 7.72 5.85 -1.80 -1.65 115.31 128.09 3k2g h LEU 294 Ca 0.06 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3k2g h LEU 294 Cb 1.59 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.51 3k2g h LEU 294 CO 0.31 0.42 0.00 -0.90 -0.34 0.00 0.00 178.44 177.93 3k2g n ASP 295 N -4.60 0.00 -0.25 1.25 5.68 -1.26 -2.52 116.55 114.85 3k2g n ASP 295 Ca 0.18 -1.03 0.06 0.00 -0.50 0.00 0.00 54.79 53.50 3k2g n ASP 295 Cb 0.41 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.39 3k2g n ASP 295 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3k2g n ARG 296 N -0.74 2.02 -3.33 0.11 5.12 -0.62 -4.89 116.66 114.34 3k2g n ARG 296 Ca 0.08 -0.63 -0.38 0.00 -1.93 0.00 0.00 57.85 54.99 3k2g n ARG 296 Cb 0.04 -1.13 -0.06 0.00 -1.16 0.00 0.00 32.46 30.15 3k2g n ARG 296 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3k2g s ILE 297 N -1.51 5.16 0.04 0.55 1.01 -1.05 0.58 121.20 125.98 3k2g s ILE 297 Ca 0.09 0.95 0.06 0.00 0.00 0.00 0.00 60.65 61.76 3k2g s ILE 297 Cb 0.09 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3k2g s ILE 297 CO 0.30 0.36 -0.18 -0.76 0.00 0.00 0.00 174.94 174.65 3k2g s LEU 298 N 0.42 2.17 0.02 2.97 1.43 -0.72 -4.81 118.68 120.16 3k2g s LEU 298 Ca 0.26 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 3k2g s LEU 298 Cb -0.15 -0.83 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 3k2g s LEU 298 CO 0.11 0.11 -0.24 -0.76 0.23 0.00 0.00 176.35 175.80 3k2g s LEU 299 N -1.16 2.13 0.19 1.79 1.43 -1.26 -0.04 118.68 121.75 3k2g s LEU 299 Ca 0.05 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 3k2g s LEU 299 Cb -0.08 -1.18 0.07 0.00 0.03 0.00 0.00 46.19 45.03 3k2g s LEU 299 CO 0.02 0.24 0.99 -0.55 0.23 0.00 0.00 176.35 177.28 3k2g s SER 300 N -1.00 -0.06 -0.12 2.29 0.15 -0.84 -4.71 113.70 109.42 3k2g s SER 300 Ca 0.10 -0.61 0.16 0.00 0.70 0.00 0.00 55.95 56.30 3k2g s SER 300 Cb -0.09 0.52 -0.24 0.00 -1.71 0.00 0.00 66.02 64.50 3k2g s SER 300 CO 0.01 -1.01 0.18 1.41 1.20 0.00 0.00 173.24 175.03 3k2g n HIS 301 N -0.60 0.00 -3.57 3.44 -0.00 -1.17 -1.80 115.22 111.51 3k2g n HIS 301 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.46 3k2g n HIS 301 Cb 0.60 -0.69 0.07 0.00 -0.00 0.00 0.00 29.99 29.97 3k2g n HIS 301 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3k2g n ASP 302 N -2.46 -3.33 -4.67 0.41 2.03 -0.54 -4.48 116.55 103.51 3k2g n ASP 302 Ca -0.19 -0.65 -0.45 0.00 0.52 0.00 0.00 54.79 54.02 3k2g n ASP 302 Cb 0.85 -4.80 -0.04 0.00 -0.72 0.00 0.00 41.12 36.42 3k2g n ASP 302 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3k2g n VAL 303 N -4.45 0.62 -1.15 5.18 0.31 -1.26 -4.77 118.33 112.80 3k2g n VAL 303 Ca -0.18 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3k2g n VAL 303 Cb 0.63 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 3k2g n VAL 303 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3k2g n PHE 304 N 6.79 0.00 -4.00 3.52 1.16 -1.26 -2.10 117.46 121.56 3k2g n PHE 304 Ca 0.21 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.70 3k2g n PHE 304 Cb 0.35 0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.13 3k2g n PHE 304 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3k2g s VAL 305 N 0.00 0.16 -0.67 1.97 -7.23 -1.26 -4.64 120.40 108.72 3k2g s VAL 305 Ca 0.00 -1.31 -0.26 0.00 -1.81 0.00 0.00 61.98 58.61 3k2g s VAL 305 Cb 0.00 -0.94 -0.13 0.00 0.56 0.00 0.00 36.38 35.87 3k2g s VAL 305 CO 0.00 -0.72 2.45 0.29 -0.31 0.00 0.00 175.10 176.81 3k2g n LYS 306 N 0.77 0.69 0.00 4.82 5.02 -0.44 -5.00 118.16 124.03 3k2g n LYS 306 Ca -0.19 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 3k2g n LYS 306 Cb 0.58 -3.01 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 3k2g n LYS 306 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k2g n LEU 309 N 14.95 0.00 0.15 -0.35 4.77 -1.26 -4.53 117.00 130.72 3k2g n LEU 309 Ca 0.46 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 3k2g n LEU 309 Cb 0.41 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.98 3k2g n LEU 309 CO 0.74 0.00 0.99 0.71 -1.33 0.00 0.00 177.39 178.50 3k2g h THR 310 N 0.00 1.11 -0.07 -5.08 1.35 -1.84 0.25 112.91 108.63 3k2g h THR 310 Ca 0.00 -0.44 0.02 0.00 -0.55 0.00 0.00 66.41 65.44 3k2g h THR 310 Cb 0.00 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3k2g h THR 310 CO 0.00 0.14 0.06 -0.09 -0.25 0.00 0.00 175.52 175.39 3k2g h ARG 311 N 0.20 0.00 -0.39 4.72 9.65 -1.91 -1.52 114.38 125.12 3k2g h ARG 311 Ca 0.05 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.84 3k2g h ARG 311 Cb 0.18 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 3k2g h ARG 311 CO 0.01 0.00 0.04 0.66 2.80 0.00 0.00 179.97 183.48 3k2g n TYR 312 N -4.07 1.35 -0.43 2.20 4.01 -0.69 -4.91 117.16 114.61 3k2g n TYR 312 Ca -0.01 -1.09 0.00 0.00 -0.16 0.00 0.00 57.90 56.64 3k2g n TYR 312 Cb 0.17 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 3k2g n TYR 312 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k2g n GLY 313 N -0.52 0.75 2.66 2.72 0.00 -0.57 -4.92 105.19 105.30 3k2g n GLY 313 Ca 0.28 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 3k2g n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2g n GLY 314 N -2.00 -0.96 0.16 -0.02 0.00 0.80 -4.92 105.19 98.25 3k2g n GLY 314 Ca 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.38 3k2g n GLY 314 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3k2g h ASN 315 N -1.04 0.00 -0.11 1.61 -0.26 -1.93 -3.27 115.58 110.58 3k2g h ASN 315 Ca -0.28 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 3k2g h ASN 315 Cb 0.82 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 3k2g h ASN 315 CO 0.22 0.01 0.00 0.61 -1.06 0.00 0.00 177.43 177.20 3k2g n GLY 316 N 1.15 -0.73 0.95 2.83 0.00 -1.26 -3.84 105.19 104.30 3k2g n GLY 316 Ca 0.02 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.99 3k2g n GLY 316 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k2g n TYR 317 N -0.02 0.24 0.50 1.61 4.01 -1.26 -4.37 117.16 117.86 3k2g n TYR 317 Ca 0.00 -0.14 0.07 0.00 -0.16 0.00 0.00 57.90 57.67 3k2g n TYR 317 Cb 0.00 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.10 3k2g n TYR 317 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k2g n ALA 318 N 1.27 2.45 -0.06 -0.72 0.00 -1.26 -4.59 120.51 117.60 3k2g n ALA 318 Ca 0.15 -0.67 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 3k2g n ALA 318 Cb 0.55 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 3k2g n ALA 318 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3k2g h PHE 319 N 2.72 0.31 -0.13 0.00 3.57 -1.76 0.22 116.94 121.87 3k2g h PHE 319 Ca 0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3k2g h PHE 319 Cb 0.60 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 3k2g h PHE 319 CO 0.03 0.27 -0.09 0.28 -2.23 0.00 0.00 178.31 176.58 3k2g h VAL 320 N 0.25 0.74 -0.01 1.41 2.07 -1.91 0.30 116.25 119.11 3k2g h VAL 320 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3k2g h VAL 320 Cb 0.07 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3k2g h VAL 320 CO -0.01 0.00 0.00 0.74 0.02 0.00 0.00 177.57 178.32 3k2g h THR 321 N -0.09 1.21 -0.21 2.57 2.02 -1.85 -1.42 112.91 115.13 3k2g h THR 321 Ca 0.08 -0.61 -0.20 0.00 0.77 0.00 0.00 66.41 66.45 3k2g h THR 321 Cb 0.21 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3k2g h THR 321 CO -0.19 0.16 -0.66 0.11 0.37 0.00 0.00 175.52 175.32 3k2g h LYS 322 N -0.25 0.79 0.00 6.66 1.57 -0.84 -3.38 116.57 121.12 3k2g h LYS 322 Ca 0.00 -0.57 -0.08 0.00 -1.87 0.00 0.00 60.65 58.14 3k2g h LYS 322 Cb 0.26 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3k2g h LYS 322 CO 0.00 1.19 -1.29 0.72 -0.57 0.00 0.00 179.45 179.50 3k2g n HIS 323 N -3.96 0.00 0.02 -1.35 8.25 0.10 -4.63 115.22 113.65 3k2g n HIS 323 Ca -0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.25 3k2g n HIS 323 Cb 0.68 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 3k2g n HIS 323 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3k2g h PHE 324 N 0.00 0.87 -0.46 4.41 3.57 -0.93 -2.98 116.94 121.41 3k2g h PHE 324 Ca -0.12 -0.41 0.03 0.00 3.53 0.00 0.00 57.97 61.00 3k2g h PHE 324 Cb 1.21 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 3k2g h PHE 324 CO 0.00 1.23 0.26 -0.07 -2.23 0.00 0.00 178.31 177.50 3k2g h LEU 325 N 0.41 0.41 -1.82 0.59 3.38 -1.45 -0.30 115.31 116.53 3k2g h LEU 325 Ca -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3k2g h LEU 325 Cb 1.46 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3k2g h LEU 325 CO 0.16 0.29 0.02 -0.65 0.09 0.00 0.00 178.44 178.35 3k2g h PRO 326 N 0.52 0.13 -0.28 1.13 0.11 -1.82 -1.37 132.00 130.43 3k2g h PRO 326 Ca 0.19 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.15 3k2g h PRO 326 Cb 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3k2g h PRO 326 CO -0.10 0.13 -0.41 -0.09 -0.21 0.00 0.00 178.00 177.32 3k2g h ARG 327 N 0.14 0.67 -0.09 1.05 2.43 -1.00 -1.62 114.38 115.96 3k2g h ARG 327 Ca 0.04 -0.35 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 3k2g h ARG 327 Cb 0.06 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3k2g h ARG 327 CO -0.00 0.96 -0.34 -0.07 -1.51 0.00 0.00 179.97 179.01 3k2g h LEU 328 N 0.55 0.17 -0.32 3.80 3.38 -0.14 -2.08 115.31 120.67 3k2g h LEU 328 Ca 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3k2g h LEU 328 Cb 0.94 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3k2g h LEU 328 CO 0.08 0.51 0.07 0.03 0.09 0.00 0.00 178.44 179.22 3k2g h ARG 329 N 0.15 0.51 0.00 1.13 2.47 -0.85 -1.19 114.38 116.62 3k2g h ARG 329 Ca 0.02 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 3k2g h ARG 329 Cb 0.67 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.93 3k2g h ARG 329 CO 0.05 0.59 -0.07 0.00 0.56 0.00 0.00 179.97 181.10 3k2g h ARG 330 N 0.35 0.00 -0.08 0.04 3.08 -0.78 -0.53 114.38 116.45 3k2g h ARG 330 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3k2g h ARG 330 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3k2g h ARG 330 CO 0.00 0.07 0.00 0.72 -1.07 0.00 0.00 179.97 179.70 3k2g n HIS 331 N -4.15 0.10 0.00 3.04 8.25 -0.83 -4.90 115.22 116.73 3k2g n HIS 331 Ca -0.03 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3k2g n HIS 331 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3k2g n HIS 331 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k2g n GLY 332 N 0.97 0.90 3.82 -1.41 0.00 -0.21 -5.02 105.19 104.23 3k2g n GLY 332 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3k2g n GLY 332 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k2g s LEU 333 N 0.00 4.39 0.52 0.99 2.96 -0.49 -5.01 118.68 122.05 3k2g s LEU 333 Ca 0.00 1.36 0.07 0.00 -0.22 0.00 0.00 54.13 55.34 3k2g s LEU 333 Cb 0.00 -3.41 0.05 0.00 0.50 0.00 0.00 46.19 43.33 3k2g s LEU 333 CO 0.00 0.10 0.72 1.51 -1.32 0.00 0.00 176.35 177.36 3k2g s ASP 334 N -1.54 5.27 0.18 3.68 1.47 -1.26 -4.21 116.67 120.26 3k2g s ASP 334 Ca 0.39 -0.49 -0.14 0.00 1.18 0.00 0.00 52.55 53.49 3k2g s ASP 334 Cb -0.17 -0.31 0.17 0.00 -0.34 0.00 0.00 42.92 42.27 3k2g s ASP 334 CO 0.21 -1.14 1.69 0.44 0.68 0.00 0.00 175.17 177.06 3k2g h ASP 335 N 0.27 -0.17 -0.95 2.11 3.32 -2.00 -1.44 116.42 117.56 3k2g h ASP 335 Ca -0.37 0.11 0.13 0.00 0.02 0.00 0.00 57.03 56.92 3k2g h ASP 335 Cb 1.28 0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.93 3k2g h ASP 335 CO 0.44 -0.05 0.57 0.00 -1.72 0.00 0.00 179.24 178.48 3k2g h ALA 336 N 1.41 1.44 -0.59 3.45 0.00 -2.00 0.13 119.26 123.11 3k2g h ALA 336 Ca 0.24 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3k2g h ALA 336 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3k2g h ALA 336 CO -0.38 0.12 0.12 0.00 0.00 0.00 0.00 179.25 179.11 3k2g h ALA 337 N 1.54 1.10 -0.37 0.00 0.00 -1.67 -1.32 119.26 118.54 3k2g h ALA 337 Ca 0.49 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3k2g h ALA 337 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3k2g h ALA 337 CO -0.29 0.59 -0.06 -0.07 0.00 0.00 0.00 179.25 179.42 3k2g h LEU 338 N 0.89 0.60 -0.42 0.00 3.38 -0.49 -0.82 115.31 118.44 3k2g h LEU 338 Ca 0.19 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3k2g h LEU 338 Cb 0.35 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3k2g h LEU 338 CO 0.00 0.71 -0.14 -0.08 0.09 0.00 0.00 178.44 179.03 3k2g h GLU 339 N 0.58 0.84 -0.79 1.13 4.57 -0.78 -2.96 114.58 117.18 3k2g h GLU 339 Ca 0.11 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3k2g h GLU 339 Cb 0.46 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 3k2g h GLU 339 CO 0.02 0.97 0.51 1.15 -1.18 0.00 0.00 179.01 180.49 3k2g h THR 340 N 0.66 1.21 0.00 0.32 2.02 -0.80 0.64 112.91 116.96 3k2g h THR 340 Ca 0.10 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3k2g h THR 340 Cb 0.68 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3k2g h THR 340 CO 0.05 0.20 0.00 0.18 0.37 0.00 0.00 175.52 176.32 3k2g n LEU 341 N -4.52 0.00 0.00 2.58 4.77 -0.35 0.34 117.00 119.81 3k2g n LEU 341 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3k2g n LEU 341 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3k2g n LEU 341 CO 0.36 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.94 3k2g n VAL 343 N -0.59 0.00 -0.05 4.08 0.31 0.18 -4.41 118.33 117.85 3k2g n VAL 343 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 3k2g n VAL 343 Cb 0.01 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 3k2g n VAL 343 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3k2g h THR 344 N 0.00 1.21 -0.47 2.52 2.02 -1.35 -2.62 112.91 114.22 3k2g h THR 344 Ca 0.00 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 3k2g h THR 344 Cb 0.00 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3k2g h THR 344 CO 0.00 0.20 0.21 0.78 0.37 0.00 0.00 175.52 177.08 3k2g h ASN 345 N 0.06 0.62 -0.80 4.18 4.21 -0.34 0.03 115.58 123.54 3k2g h ASN 345 Ca 0.05 -0.14 0.04 0.00 1.21 0.00 0.00 56.30 57.45 3k2g h ASN 345 Cb 0.27 -0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 37.26 3k2g h ASN 345 CO 0.00 0.59 0.51 -0.65 -1.29 0.00 0.00 177.43 176.59 3k2g h PRO 346 N 0.61 0.94 -0.81 0.81 0.11 -1.76 -0.91 132.00 130.99 3k2g h PRO 346 Ca 0.16 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3k2g h PRO 346 Cb 0.14 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 3k2g h PRO 346 CO -0.02 0.63 0.46 -0.09 -0.21 0.00 0.00 178.00 178.77 3k2g h ARG 347 N 0.97 1.12 -0.52 1.05 2.43 -1.06 -2.39 114.38 115.98 3k2g h ARG 347 Ca 0.33 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3k2g h ARG 347 Cb 0.04 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3k2g h ARG 347 CO -0.12 0.82 0.34 0.00 -1.51 0.00 0.00 179.97 179.50 3k2g h ARG 348 N 1.12 0.65 -0.93 0.20 3.08 0.29 0.26 114.38 119.05 3k2g h ARG 348 Ca 0.29 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.34 3k2g h ARG 348 Cb 0.01 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.85 3k2g h ARG 348 CO -0.05 0.43 0.60 0.28 -1.07 0.00 0.00 179.97 180.17 3k2g h VAL 349 N 0.67 1.14 0.00 2.04 2.07 -0.73 -3.17 116.25 118.28 3k2g h VAL 349 Ca 0.20 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3k2g h VAL 349 Cb -0.03 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.62 3k2g h VAL 349 CO -0.05 0.21 -1.46 0.49 0.02 0.00 0.00 177.57 176.78 3k2g n PHE 350 N -4.51 0.45 -3.94 1.57 3.72 -0.71 -4.67 117.46 109.38 3k2g n PHE 350 Ca 0.12 0.13 -0.31 0.00 -0.05 0.00 0.00 57.45 57.35 3k2g n PHE 350 Cb 0.11 -0.69 -0.15 0.00 -0.94 0.00 0.00 39.48 37.81 3k2g n PHE 350 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3k2g s ASP 351 N -4.81 4.22 0.00 4.37 -1.08 0.82 -4.07 116.67 116.12 3k2g s ASP 351 Ca -0.03 -1.58 0.15 0.00 -0.52 0.00 0.00 52.55 50.57 3k2g s ASP 351 Cb 0.12 -1.29 0.74 0.00 -1.46 0.00 0.00 42.92 41.03 3k2g s ASP 351 CO 0.85 -0.31 1.46 0.00 0.52 0.00 0.00 175.17 177.68 3k2g n ALA 352 N 4.55 1.81 1.12 3.66 0.00 0.13 -2.68 120.51 129.10 3k2g n ALA 352 Ca -0.05 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.45 3k2g n ALA 352 Cb 0.43 -1.25 0.41 0.00 0.00 0.00 0.00 19.45 19.04 3k2g n ALA 352 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k2g n SER 353 N -1.36 0.50 -4.67 0.00 3.41 -1.26 -4.85 113.62 105.39 3k2g n SER 353 Ca 0.06 -0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 57.95 3k2g n SER 353 Cb 0.14 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 3k2g n SER 353 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3k2g s ILE 354 N -2.81 4.23 0.70 -1.33 -1.09 -1.09 -4.98 121.20 114.83 3k2g s ILE 354 Ca 0.17 1.51 -0.16 0.00 -2.23 0.00 0.00 60.65 59.94 3k2g s ILE 354 Cb 0.19 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 3k2g s ILE 354 CO 0.59 -0.10 0.67 -0.62 -1.23 0.00 0.00 174.94 174.26 3k2g n GLU 355 N 6.28 0.40 -1.60 2.79 4.71 -1.26 -5.00 120.64 126.95 3k2g n GLU 355 Ca 0.13 0.18 -0.22 0.00 -0.01 0.00 0.00 57.16 57.24 3k2g n GLU 355 Cb 0.45 -1.94 0.15 0.00 -1.01 0.00 0.00 31.44 29.08 3k2g n GLU 355 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3k2g n GLY 356 N 1.48 -1.05 0.66 0.62 0.00 -1.26 -5.08 105.19 100.56 3k2g n GLY 356 Ca 0.11 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.46 3k2g n GLY 356 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89