#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kru h ILE 3 N 0.00 0.67 -0.65 2.46 2.10 -1.99 -0.59 117.51 119.51 3kru h ILE 3 Ca 0.00 0.00 0.18 0.00 1.08 0.00 0.00 64.86 66.12 3kru h ILE 3 Cb 0.00 1.00 -0.03 0.00 -1.09 0.00 0.00 36.82 36.70 3kru h ILE 3 CO 0.00 0.00 0.46 -0.07 -1.08 0.00 0.00 178.15 177.46 3kru h LEU 4 N 0.00 0.08 -1.46 2.19 3.38 -1.94 -2.10 115.31 115.45 3kru h LEU 4 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kru h LEU 4 Cb 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kru h LEU 4 CO -0.00 0.04 0.00 1.41 0.09 0.00 0.00 178.44 179.98 3kru n HIS 5 N -4.38 0.35 -2.91 1.13 8.25 -0.23 -0.85 115.22 116.59 3kru n HIS 5 Ca 0.13 -0.18 -0.40 0.00 -0.26 0.00 0.00 57.72 57.01 3kru n HIS 5 Cb 0.67 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.74 3kru n HIS 5 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3kru s MET 6 N -1.65 4.53 0.84 -0.41 -1.94 -0.79 -4.67 119.30 115.21 3kru s MET 6 Ca 0.33 1.15 -0.10 0.00 -1.71 0.00 0.00 55.69 55.35 3kru s MET 6 Cb 0.18 -3.40 0.10 0.00 2.01 0.00 0.00 34.83 33.72 3kru s MET 6 CO 0.26 0.18 1.11 -2.14 -0.01 0.00 0.00 175.02 174.41 3kru s PRO 7 N 0.29 1.64 -0.13 2.03 0.02 -1.25 -4.02 135.00 133.58 3kru s PRO 7 Ca 0.42 1.27 -0.02 0.00 0.02 0.00 0.00 61.00 62.70 3kru s PRO 7 Cb -0.20 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.54 3kru s PRO 7 CO 0.24 -2.11 -0.01 -1.17 -0.33 0.00 0.00 177.00 173.62 3kru s LEU 8 N -6.23 1.03 -0.22 -5.54 2.96 -0.16 -4.95 118.68 105.58 3kru s LEU 8 Ca 0.64 -0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 53.97 3kru s LEU 8 Cb -0.19 -0.62 -0.05 0.00 0.50 0.00 0.00 46.19 45.83 3kru s LEU 8 CO 0.57 -0.22 0.25 -0.75 -1.32 0.00 0.00 176.35 174.88 3kru s LYS 9 N 1.84 4.11 -0.19 1.98 2.20 -1.26 -0.57 119.74 127.86 3kru s LYS 9 Ca 0.02 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 3kru s LYS 9 Cb -0.14 -3.53 0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3kru s LYS 9 CO -0.07 0.04 -0.10 0.42 -0.36 0.00 0.00 175.35 175.28 3kru s ILE 10 N 1.11 1.56 0.00 5.43 1.01 0.39 -4.99 121.20 125.72 3kru s ILE 10 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kru s ILE 10 Cb -0.14 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3kru s ILE 10 CO 0.05 0.20 0.00 0.29 0.00 0.00 0.00 174.94 175.49 3kru n LYS 11 N 4.72 0.00 -0.07 2.79 5.02 -1.26 -1.49 118.16 127.87 3kru n LYS 11 Ca -0.15 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.26 3kru n LYS 11 Cb 0.47 0.00 0.38 0.00 -0.02 0.00 0.00 35.03 35.86 3kru n LYS 11 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kru n ASP 12 N 4.31 1.87 -4.63 4.39 9.92 -0.59 -4.86 116.55 126.96 3kru n ASP 12 Ca 0.00 -1.70 -0.36 0.00 -0.53 0.00 0.00 54.79 52.19 3kru n ASP 12 Cb 0.00 -0.09 -0.10 0.00 -0.64 0.00 0.00 41.12 40.29 3kru n ASP 12 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kru s ILE 13 N -1.82 5.20 -0.26 0.53 -1.09 -0.56 -5.07 121.20 118.12 3kru s ILE 13 Ca 0.34 0.12 -0.08 0.00 -2.23 0.00 0.00 60.65 58.80 3kru s ILE 13 Cb 0.19 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3kru s ILE 13 CO 0.29 0.35 0.10 -0.89 -1.23 0.00 0.00 174.94 173.55 3kru s THR 14 N 1.08 4.46 -0.16 2.92 2.01 -1.26 -0.46 115.64 124.23 3kru s THR 14 Ca 0.07 -0.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.69 3kru s THR 14 Cb -0.14 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 3kru s THR 14 CO 0.04 0.27 0.49 -0.63 -0.69 0.00 0.00 174.62 174.11 3kru s ILE 15 N 1.63 5.15 -0.35 1.82 1.01 0.26 -4.90 121.20 125.81 3kru s ILE 15 Ca 0.06 0.95 0.27 0.00 0.00 0.00 0.00 60.65 61.93 3kru s ILE 15 Cb -0.16 -3.83 0.31 0.00 0.01 0.00 0.00 42.46 38.80 3kru s ILE 15 CO 0.05 0.26 1.79 0.07 0.00 0.00 0.00 174.94 177.10 3kru h LYS 16 N 7.07 0.00 0.00 2.79 2.10 -1.86 -0.39 116.57 126.29 3kru h LYS 16 Ca -0.38 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.09 3kru h LYS 16 Cb 1.17 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.46 3kru h LYS 16 CO 0.75 0.00 0.02 0.27 -2.00 0.00 0.00 179.45 178.49 3kru n ASN 17 N -2.63 -1.79 -1.61 7.07 0.23 -1.26 -3.76 115.26 111.52 3kru n ASN 17 Ca 0.03 -2.82 0.08 0.00 -0.53 0.00 0.00 54.58 51.33 3kru n ASN 17 Cb 0.34 3.14 0.35 0.00 -2.08 0.00 0.00 39.78 41.54 3kru n ASN 17 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3kru n ARG 18 N -0.58 3.90 -3.71 -3.83 5.12 -0.03 -4.66 116.66 112.87 3kru n ARG 18 Ca -0.03 -2.77 -0.37 0.00 -1.93 0.00 0.00 57.85 52.75 3kru n ARG 18 Cb 0.61 -1.97 -0.11 0.00 -1.16 0.00 0.00 32.46 29.83 3kru n ARG 18 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kru s ILE 19 N -2.07 4.99 -0.12 0.55 -1.09 -1.26 -0.59 121.20 121.61 3kru s ILE 19 Ca 0.49 0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.94 3kru s ILE 19 Cb 0.33 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 3kru s ILE 19 CO 0.21 0.33 -0.03 -0.32 -1.23 0.00 0.00 174.94 173.90 3kru s MET 20 N 1.35 3.34 -0.29 2.79 -2.45 -0.33 -1.98 119.30 121.71 3kru s MET 20 Ca 0.06 -0.48 -0.29 0.00 -1.25 0.00 0.00 55.69 53.73 3kru s MET 20 Cb -0.15 -2.84 0.01 0.00 1.25 0.00 0.00 34.83 33.10 3kru s MET 20 CO 0.06 0.45 1.19 1.41 1.05 0.00 0.00 175.02 179.18 3kru s MET 21 N -0.20 4.02 0.45 4.11 1.75 0.09 -1.06 119.30 128.46 3kru s MET 21 Ca 0.04 1.21 -0.25 0.00 -1.25 0.00 0.00 55.69 55.44 3kru s MET 21 Cb -0.13 -3.80 -0.08 0.00 2.84 0.00 0.00 34.83 33.66 3kru s MET 21 CO 0.02 -0.97 1.37 0.45 -0.65 0.00 0.00 175.02 175.24 3kru s SER 22 N 2.16 5.95 0.07 1.11 0.15 -0.37 -2.09 113.70 120.69 3kru s SER 22 Ca 0.51 2.80 -0.31 0.00 0.70 0.00 0.00 55.95 59.66 3kru s SER 22 Cb -0.15 -2.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.44 3kru s SER 22 CO 0.18 -1.11 1.58 -2.16 1.20 0.00 0.00 173.24 172.94 3kru s PRO 23 N -2.44 4.22 -0.11 5.44 0.04 -1.24 -4.81 135.00 136.09 3kru s PRO 23 Ca 0.61 2.25 -0.03 0.00 0.04 0.00 0.00 61.00 63.87 3kru s PRO 23 Cb -0.41 -3.53 0.05 0.00 0.04 0.00 0.00 34.50 30.64 3kru s PRO 23 CO 0.52 -0.68 0.07 -1.64 0.04 0.00 0.00 177.00 175.31 3kru s MET 24 N 2.37 0.10 0.28 4.56 -1.94 -1.26 -4.84 119.30 118.57 3kru s MET 24 Ca 0.71 0.09 -0.30 0.00 -1.71 0.00 0.00 55.69 54.48 3kru s MET 24 Cb -0.38 -1.27 -0.13 0.00 2.01 0.00 0.00 34.83 35.06 3kru s MET 24 CO 0.31 -0.50 1.35 0.00 -0.01 0.00 0.00 175.02 176.17 3kru n MET 26 N 1.43 3.34 -4.04 0.00 2.81 -1.26 -5.01 117.12 114.38 3kru n MET 26 Ca 0.09 -0.15 -0.32 0.00 -1.81 0.00 0.00 57.70 55.51 3kru n MET 26 Cb 0.33 -1.00 -0.00 0.00 -0.71 0.00 0.00 33.22 31.85 3kru n MET 26 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3kru n TYR 27 N -0.99 -1.98 -0.36 2.03 4.01 -1.26 -4.84 117.16 113.78 3kru n TYR 27 Ca 0.02 0.84 0.00 0.00 -0.16 0.00 0.00 57.90 58.61 3kru n TYR 27 Cb 0.17 -3.53 0.00 0.00 -0.31 0.00 0.00 39.34 35.67 3kru n TYR 27 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3kru n SER 28 N -2.78 0.94 -4.90 7.72 7.64 -0.93 -4.85 113.62 116.46 3kru n SER 28 Ca 0.00 -1.30 -0.29 0.00 1.01 0.00 0.00 58.87 58.29 3kru n SER 28 Cb 0.53 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.79 3kru n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kru s ALA 29 N -0.30 2.95 0.96 -0.43 0.00 -0.04 -4.79 121.76 120.11 3kru s ALA 29 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 3kru s ALA 29 Cb 0.00 -2.90 0.17 0.00 0.00 0.00 0.00 23.12 20.38 3kru s ALA 29 CO 0.00 -1.18 1.11 -1.54 0.00 0.00 0.00 175.76 174.14 3kru s SER 30 N -4.40 2.96 0.00 0.00 1.04 -1.06 -4.40 113.70 107.83 3kru s SER 30 Ca 0.58 1.14 0.16 0.00 0.48 0.00 0.00 55.95 58.31 3kru s SER 30 Cb -0.11 -1.79 0.70 0.00 0.10 0.00 0.00 66.02 64.93 3kru s SER 30 CO 0.50 -2.92 1.48 0.35 0.98 0.00 0.00 173.24 173.63 3kru n THR 31 N -4.03 0.82 0.47 2.02 -2.24 -1.22 -1.40 114.28 108.70 3kru n THR 31 Ca 0.06 0.20 0.09 0.00 -2.27 0.00 0.00 64.05 62.13 3kru n THR 31 Cb 0.58 -0.94 0.25 0.00 -2.10 0.00 0.00 70.33 68.12 3kru n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kru n ASP 32 N -1.44 2.71 -0.21 3.42 8.00 -1.26 -4.95 116.55 122.82 3kru n ASP 32 Ca 0.05 -1.96 -0.03 0.00 0.71 0.00 0.00 54.79 53.56 3kru n ASP 32 Cb 0.16 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 3kru n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kru n GLY 33 N 1.32 0.59 3.79 0.44 0.00 -0.49 -4.84 105.19 106.00 3kru n GLY 33 Ca 0.17 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3kru n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kru s MET 34 N -1.53 4.32 0.89 1.61 -1.94 -1.26 -1.39 119.30 120.00 3kru s MET 34 Ca 0.00 0.85 -0.12 0.00 -1.71 0.00 0.00 55.69 54.71 3kru s MET 34 Cb 0.00 -3.27 0.13 0.00 2.01 0.00 0.00 34.83 33.70 3kru s MET 34 CO 0.00 0.56 1.11 -1.25 -0.01 0.00 0.00 175.02 175.43 3kru s PRO 35 N -0.90 1.30 0.10 2.03 0.04 -1.26 -2.58 135.00 133.72 3kru s PRO 35 Ca 0.31 0.49 0.01 0.00 0.04 0.00 0.00 61.00 61.85 3kru s PRO 35 Cb -0.20 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 3kru s PRO 35 CO 0.20 -2.13 0.11 0.27 0.04 0.00 0.00 177.00 175.49 3kru n ASN 36 N -3.76 -0.30 0.29 6.66 0.23 -1.26 -4.92 115.26 112.21 3kru n ASN 36 Ca 0.06 -1.57 0.16 0.00 -0.53 0.00 0.00 54.58 52.71 3kru n ASN 36 Cb 0.58 0.60 0.87 0.00 -2.08 0.00 0.00 39.78 39.75 3kru n ASN 36 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kru h ASP 37 N 0.56 0.00 -0.30 0.53 3.32 -1.98 -0.99 116.42 117.56 3kru h ASP 37 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3kru h ASP 37 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3kru h ASP 37 CO 0.10 0.05 0.19 -0.25 -1.72 0.00 0.00 179.24 177.61 3kru h TRP 38 N 0.00 0.39 -0.70 4.55 7.01 -1.95 -1.46 115.95 123.78 3kru h TRP 38 Ca -0.00 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 3kru h TRP 38 Cb 0.24 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 3kru h TRP 38 CO 0.00 0.27 0.15 0.45 -2.79 0.00 0.00 178.44 176.53 3kru h HIS 39 N 0.39 1.20 -0.37 2.65 3.86 -1.56 -1.14 115.15 120.19 3kru h HIS 39 Ca 0.11 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3kru h HIS 39 Cb -0.01 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.11 3kru h HIS 39 CO -0.05 0.98 0.10 0.82 0.86 0.00 0.00 177.93 180.64 3kru h ILE 40 N 1.07 1.22 -0.42 2.45 2.04 -1.23 -1.40 117.51 121.24 3kru h ILE 40 Ca 0.22 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 3kru h ILE 40 Cb 0.40 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3kru h ILE 40 CO 0.01 0.25 -0.09 0.58 0.00 0.00 0.00 178.15 178.90 3kru h VAL 41 N 0.45 1.27 -0.25 1.67 2.07 -1.20 -1.28 116.25 118.99 3kru h VAL 41 Ca 0.12 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.50 3kru h VAL 41 Cb 0.28 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3kru h VAL 41 CO -0.00 0.40 0.00 -0.74 0.02 0.00 0.00 177.57 177.25 3kru h HIS 42 N 0.63 -0.01 -0.11 1.57 -0.00 -0.90 -0.74 115.15 115.59 3kru h HIS 42 Ca 0.11 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.33 3kru h HIS 42 Cb 0.61 0.04 0.01 0.00 -0.00 0.00 0.00 27.41 28.07 3kru h HIS 42 CO 0.05 -0.03 -0.58 1.88 -0.00 0.00 0.00 177.93 179.25 3kru h TYR 43 N 0.08 0.79 -0.78 5.26 0.05 -1.28 -3.27 116.97 117.82 3kru h TYR 43 Ca 0.12 -0.35 0.06 0.00 0.05 0.00 0.00 58.73 58.60 3kru h TYR 43 Cb 0.15 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 3kru h TYR 43 CO -0.19 1.15 0.51 0.00 -1.05 0.00 0.00 178.16 178.58 3kru h ALA 44 N 0.48 1.61 -0.76 3.88 0.00 -1.06 -1.95 119.26 121.47 3kru h ALA 44 Ca -0.04 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3kru h ALA 44 Cb 1.22 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3kru h ALA 44 CO 0.12 0.28 0.46 1.15 0.00 0.00 0.00 179.25 181.25 3kru h THR 45 N 0.87 1.01 0.00 0.00 2.02 -1.18 -0.14 112.91 115.49 3kru h THR 45 Ca 0.33 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 3kru h THR 45 Cb 0.19 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3kru h THR 45 CO -0.11 0.15 -0.46 0.03 0.37 0.00 0.00 175.52 175.50 3kru h ARG 46 N 0.84 0.00 -0.04 6.66 -0.00 -1.45 -0.40 114.38 119.98 3kru h ARG 46 Ca 0.34 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.81 3kru h ARG 46 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.14 3kru h ARG 46 CO -0.17 0.46 0.01 0.00 0.00 0.00 0.00 179.97 180.26 3kru h ALA 47 N 1.54 0.06 -0.21 0.04 0.00 -1.00 -1.80 119.26 117.89 3kru h ALA 47 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3kru h ALA 47 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kru h ALA 47 CO 0.06 -0.30 -0.05 0.82 0.00 0.00 0.00 179.25 179.78 3kru h ILE 48 N -0.18 1.16 0.00 0.00 2.04 -0.96 -1.32 117.51 118.26 3kru h ILE 48 Ca 0.01 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3kru h ILE 48 Cb 0.27 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3kru h ILE 48 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.98 3kru n GLY 49 N -0.99 -0.69 0.63 5.37 0.00 -0.17 -4.79 105.19 104.55 3kru n GLY 49 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3kru n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kru n GLY 50 N 0.33 0.76 3.75 -0.02 0.00 -0.50 -2.71 105.19 106.81 3kru n GLY 50 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3kru n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kru s VAL 51 N -2.23 2.09 -0.01 1.61 1.01 -0.72 -4.91 120.40 117.24 3kru s VAL 51 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 3kru s VAL 51 Cb 0.00 -3.05 -0.19 0.00 0.00 0.00 0.00 36.38 33.14 3kru s VAL 51 CO 0.00 0.01 1.21 1.23 0.00 0.00 0.00 175.10 177.55 3kru h GLY 52 N 5.04 0.20 -7.06 4.51 0.00 -1.68 -3.41 103.07 100.68 3kru h GLY 52 Ca -0.47 -0.25 -0.54 0.00 0.00 0.00 0.00 47.33 46.07 3kru h GLY 52 CO 0.81 0.22 -0.79 -2.27 0.00 0.00 0.00 176.54 174.51 3kru s LEU 53 N -8.94 1.52 -0.40 3.11 2.96 -0.86 -0.97 118.68 115.11 3kru s LEU 53 Ca -0.15 -0.64 -0.18 0.00 -0.22 0.00 0.00 54.13 52.94 3kru s LEU 53 Cb 0.03 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.87 3kru s LEU 53 CO 0.72 -0.19 0.47 -0.63 -1.32 0.00 0.00 176.35 175.40 3kru s ILE 54 N 1.67 5.05 -0.42 6.68 1.01 -0.19 -0.73 121.20 134.27 3kru s ILE 54 Ca 0.01 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 3kru s ILE 54 Cb -0.15 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.32 3kru s ILE 54 CO -0.08 -0.35 0.60 -0.32 0.00 0.00 0.00 174.94 174.79 3kru s MET 55 N 2.27 3.30 0.42 2.79 1.75 -0.89 -0.45 119.30 128.51 3kru s MET 55 Ca 0.15 -0.39 -0.26 0.00 -1.25 0.00 0.00 55.69 53.94 3kru s MET 55 Cb -0.16 -3.93 -0.10 0.00 2.84 0.00 0.00 34.83 33.48 3kru s MET 55 CO 0.14 -0.94 1.37 0.94 -0.65 0.00 0.00 175.02 175.88 3kru n GLN 56 N 6.10 2.19 -0.93 4.11 7.27 -0.13 -3.70 117.38 132.30 3kru n GLN 56 Ca -0.03 0.78 -0.34 0.00 0.07 0.00 0.00 57.00 57.47 3kru n GLN 56 Cb 0.48 -2.52 0.09 0.00 2.41 0.00 0.00 30.24 30.69 3kru n GLN 56 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 3kru n GLU 57 N 0.04 -0.12 -1.60 3.69 0.28 -1.26 -2.71 120.64 118.95 3kru n GLU 57 Ca 0.05 -0.00 -0.60 0.00 -0.16 0.00 0.00 57.16 56.45 3kru n GLU 57 Cb 0.40 -1.60 -0.09 0.00 1.43 0.00 0.00 31.44 31.58 3kru n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kru n ALA 58 N -3.08 -0.23 -3.93 -1.84 0.00 -1.26 -4.32 120.51 105.86 3kru n ALA 58 Ca 0.05 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 3kru n ALA 58 Cb 0.54 -2.17 -0.15 0.00 0.00 0.00 0.00 19.45 17.67 3kru n ALA 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kru s THR 59 N 4.41 2.46 0.10 0.00 2.01 -0.01 -4.39 115.64 120.23 3kru s THR 59 Ca 1.06 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 3kru s THR 59 Cb -1.23 -2.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.00 3kru s THR 59 CO 0.68 0.28 1.19 0.00 -0.69 0.00 0.00 174.62 176.07 3kru s ALA 60 N 1.27 3.40 -0.91 7.40 0.00 -0.57 -1.78 121.76 130.57 3kru s ALA 60 Ca 0.00 0.87 0.27 0.00 0.00 0.00 0.00 51.96 53.10 3kru s ALA 60 Cb -0.16 -3.43 0.85 0.00 0.00 0.00 0.00 23.12 20.39 3kru s ALA 60 CO -0.08 -0.39 1.68 1.33 0.00 0.00 0.00 175.76 178.31 3kru n VAL 61 N 3.40 0.15 -3.88 0.00 0.24 -0.48 -1.47 118.33 116.28 3kru n VAL 61 Ca 0.07 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 3kru n VAL 61 Cb 0.46 -0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.48 3kru n VAL 61 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kru s GLU 62 N -3.04 0.61 0.39 7.34 2.02 -1.26 -4.34 118.70 120.42 3kru s GLU 62 Ca 0.12 -0.61 0.08 0.00 0.02 0.00 0.00 54.97 54.57 3kru s GLU 62 Cb 0.17 0.25 0.80 0.00 0.10 0.00 0.00 34.13 35.45 3kru s GLU 62 CO 0.61 -0.16 1.98 0.66 0.02 0.00 0.00 175.26 178.37 3kru h SER 63 N 3.72 0.38 0.54 -0.19 4.64 -1.95 0.21 113.55 120.89 3kru h SER 63 Ca -0.32 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3kru h SER 63 Cb 1.19 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3kru h SER 63 CO 0.47 0.38 0.00 -2.11 -0.87 0.00 0.00 176.83 174.70 3kru n ARG 64 N -4.38 0.28 -0.09 4.77 1.85 -1.26 -2.60 116.66 115.23 3kru n ARG 64 Ca 0.01 0.06 0.12 0.00 -1.00 0.00 0.00 57.85 57.04 3kru n ARG 64 Cb 0.16 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.34 3kru n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kru n GLY 65 N 0.85 0.96 3.77 2.89 0.00 0.06 -4.56 105.19 109.15 3kru n GLY 65 Ca 0.11 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 3kru n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kru s ARG 66 N -1.75 3.03 -0.12 1.61 0.52 -1.07 -0.32 118.95 120.85 3kru s ARG 66 Ca 0.34 1.49 -0.26 0.00 -0.52 0.00 0.00 55.73 56.78 3kru s ARG 66 Cb 0.20 -1.97 -0.27 0.00 0.52 0.00 0.00 34.95 33.43 3kru s ARG 66 CO 0.30 -1.08 0.77 0.82 0.02 0.00 0.00 175.30 176.13 3kru h ILE 67 N 0.53 1.65 -3.41 1.52 2.04 -1.91 -3.39 117.51 114.53 3kru h ILE 67 Ca -0.48 -2.40 -0.37 0.00 1.00 0.00 0.00 64.86 62.61 3kru h ILE 67 Cb 1.25 3.26 -0.14 0.00 -0.74 0.00 0.00 36.82 40.45 3kru h ILE 67 CO 0.55 0.63 -0.65 0.42 0.00 0.00 0.00 178.15 179.11 3kru s THR 68 N -2.30 0.92 -1.44 -0.27 -4.23 -1.26 -0.37 115.64 106.70 3kru s THR 68 Ca -0.18 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.35 3kru s THR 68 Cb -0.01 -2.40 0.16 0.00 1.34 0.00 0.00 72.50 71.58 3kru s THR 68 CO 0.73 -0.26 0.95 -0.90 -0.54 0.00 0.00 174.62 174.60 3kru n ASP 69 N -0.43 1.43 -0.61 3.99 5.68 -1.26 -2.37 116.55 122.98 3kru n ASP 69 Ca -0.04 -2.10 0.07 0.00 -0.50 0.00 0.00 54.79 52.22 3kru n ASP 69 Cb 0.64 -0.32 0.20 0.00 -1.14 0.00 0.00 41.12 40.51 3kru n ASP 69 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3kru n HIS 70 N 0.05 0.53 -2.94 2.11 8.25 -1.26 -3.37 115.22 118.58 3kru n HIS 70 Ca 0.06 -1.12 -0.31 0.00 -0.26 0.00 0.00 57.72 56.09 3kru n HIS 70 Cb 0.29 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 3kru n HIS 70 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kru s ASP 71 N -2.53 6.62 0.51 0.41 1.11 -1.00 -0.86 116.67 120.93 3kru s ASP 71 Ca 0.39 1.21 -0.22 0.00 0.18 0.00 0.00 52.55 54.10 3kru s ASP 71 Cb 0.33 -2.35 -0.06 0.00 1.07 0.00 0.00 42.92 41.92 3kru s ASP 71 CO 0.03 -0.34 1.23 -0.76 1.18 0.00 0.00 175.17 176.52 3kru s LEU 72 N -3.54 3.90 0.16 1.23 1.43 -1.26 -4.19 118.68 116.41 3kru s LEU 72 Ca 0.53 2.46 0.06 0.00 -1.03 0.00 0.00 54.13 56.15 3kru s LEU 72 Cb -0.10 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 3kru s LEU 72 CO 0.26 -1.24 -0.13 -0.83 0.23 0.00 0.00 176.35 174.64 3kru s GLY 73 N -1.28 1.22 -0.23 -3.19 0.00 -0.49 -1.51 107.32 101.85 3kru s GLY 73 Ca 0.69 -1.51 0.21 0.00 0.00 0.00 0.00 44.72 44.11 3kru s GLY 73 CO 0.38 -1.60 1.17 4.51 0.00 0.00 0.00 173.10 177.57 3kru n ILE 74 N -0.08 0.89 1.16 0.90 3.06 -0.55 -4.81 119.36 119.93 3kru n ILE 74 Ca -0.11 -2.31 0.12 0.00 -2.50 0.00 0.00 62.75 57.95 3kru n ILE 74 Cb 0.59 1.20 0.27 0.00 0.54 0.00 0.00 39.64 42.25 3kru n ILE 74 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 3kru n TRP 75 N -0.56 0.00 -4.10 9.51 2.14 -1.23 -4.51 117.44 118.69 3kru n TRP 75 Ca 0.03 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.51 3kru n TRP 75 Cb 0.86 -0.11 -0.10 0.00 -0.81 0.00 0.00 31.31 31.15 3kru n TRP 75 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 3kru s ASN 76 N -2.57 0.35 0.46 -0.67 2.20 -1.26 -4.96 114.94 108.48 3kru s ASN 76 Ca 0.21 -1.07 0.24 0.00 -0.94 0.00 0.00 52.86 51.30 3kru s ASN 76 Cb 0.19 0.27 1.05 0.00 -2.00 0.00 0.00 41.25 40.75 3kru s ASN 76 CO 0.57 -0.69 1.89 0.44 -2.94 0.00 0.00 177.10 176.36 3kru h ASP 77 N 2.95 0.00 0.47 3.54 3.32 -2.00 -2.86 116.42 121.85 3kru h ASP 77 Ca -0.34 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 3kru h ASP 77 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3kru h ASP 77 CO 0.61 0.21 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.75 3kru h GLU 78 N 0.00 0.00 0.00 3.56 3.07 -2.00 -2.70 114.58 116.50 3kru h GLU 78 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3kru h GLU 78 Cb 0.65 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 3kru h GLU 78 CO 0.03 0.26 -0.31 1.96 -1.40 0.00 0.00 179.01 179.54 3kru h GLN 79 N 0.00 0.00 -0.19 2.33 4.20 -1.84 -3.31 115.11 116.30 3kru h GLN 79 Ca -0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3kru h GLN 79 Cb 0.56 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 3kru h GLN 79 CO 0.03 0.31 -0.05 0.28 -0.67 0.00 0.00 178.83 178.73 3kru h VAL 80 N 0.00 0.79 -0.47 -0.54 2.07 -1.62 -0.63 116.25 115.85 3kru h VAL 80 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kru h VAL 80 Cb 0.73 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3kru h VAL 80 CO 0.04 0.00 0.26 0.50 0.02 0.00 0.00 177.57 178.39 3kru h LYS 81 N -0.01 0.65 0.09 1.57 3.11 -1.74 -0.20 116.57 120.03 3kru h LYS 81 Ca 0.09 -0.06 -0.21 0.00 -2.81 0.00 0.00 60.65 57.66 3kru h LYS 81 Cb 0.15 -0.13 0.02 0.00 -1.00 0.00 0.00 32.23 31.27 3kru h LYS 81 CO -0.20 0.47 -0.87 0.93 -2.81 0.00 0.00 179.45 176.98 3kru h GLU 82 N 0.66 0.43 -0.19 1.90 4.39 -1.64 -3.25 114.58 116.87 3kru h GLU 82 Ca 0.17 -0.58 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 3kru h GLU 82 Cb 0.01 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3kru h GLU 82 CO -0.03 1.24 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.93 3kru h LEU 83 N -0.10 0.26 -2.02 1.33 3.38 -0.83 -2.22 115.31 115.09 3kru h LEU 83 Ca -0.13 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3kru h LEU 83 Cb 1.62 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3kru h LEU 83 CO 0.17 0.36 0.15 0.50 0.09 0.00 0.00 178.44 179.70 3kru h LYS 84 N 0.27 0.00 -0.75 1.13 3.64 -1.07 -1.02 116.57 118.77 3kru h LYS 84 Ca 0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3kru h LYS 84 Cb 0.28 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3kru h LYS 84 CO 0.01 0.00 0.35 0.87 -2.27 0.00 0.00 179.45 178.41 3kru h LYS 85 N 0.00 1.07 0.03 1.90 1.57 -1.47 -0.02 116.57 119.65 3kru h LYS 85 Ca 0.09 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kru h LYS 85 Cb 0.38 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kru h LYS 85 CO -0.00 0.83 -0.01 0.82 -0.57 0.00 0.00 179.45 180.51 3kru h ILE 86 N 1.06 1.20 -0.44 1.86 2.04 -1.32 -2.83 117.51 119.08 3kru h ILE 86 Ca 0.26 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.46 3kru h ILE 86 Cb 0.12 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 3kru h ILE 86 CO -0.03 0.18 0.11 0.58 0.00 0.00 0.00 178.15 179.00 3kru h VAL 87 N -0.36 0.79 -0.38 1.67 2.07 -1.13 -2.24 116.25 116.68 3kru h VAL 87 Ca -0.00 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3kru h VAL 87 Cb 0.33 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3kru h VAL 87 CO 0.01 0.05 -0.05 0.44 0.02 0.00 0.00 177.57 178.03 3kru h ASP 88 N 0.26 0.70 0.09 0.57 3.32 -1.03 -1.17 116.42 119.16 3kru h ASP 88 Ca 0.21 -0.34 -0.14 0.00 0.02 0.00 0.00 57.03 56.78 3kru h ASP 88 Cb 0.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3kru h ASP 88 CO -0.26 0.88 -0.50 -0.29 -1.72 0.00 0.00 179.24 177.35 3kru h ILE 89 N 0.52 1.32 -0.19 0.35 2.10 -1.38 -0.11 117.51 120.12 3kru h ILE 89 Ca 0.10 -1.72 -0.08 0.00 1.08 0.00 0.00 64.86 64.23 3kru h ILE 89 Cb 0.55 1.73 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 3kru h ILE 89 CO 0.03 0.53 -0.21 0.00 -1.08 0.00 0.00 178.15 177.42 3kru h LYS 91 N 0.13 0.87 -0.17 0.00 1.57 -1.14 -1.96 116.57 115.88 3kru h LYS 91 Ca 0.03 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3kru h LYS 91 Cb 0.76 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3kru h LYS 91 CO 0.05 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 3kru h ALA 92 N 1.26 1.70 -0.62 3.86 0.00 -0.90 -2.04 119.26 122.52 3kru h ALA 92 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kru h ALA 92 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kru h ALA 92 CO 0.01 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3kru n ASN 93 N -4.40 4.19 0.00 0.00 4.13 -0.83 -4.94 115.26 113.41 3kru n ASN 93 Ca -0.00 -2.29 0.00 0.00 1.68 0.00 0.00 54.58 53.97 3kru n ASN 93 Cb 0.17 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 3kru n ASN 93 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kru n GLY 94 N 1.23 0.99 3.92 7.41 0.00 -0.77 -4.28 105.19 113.70 3kru n GLY 94 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 3kru n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kru s ALA 95 N -2.00 3.87 0.10 4.61 0.00 -0.78 -4.92 121.76 122.63 3kru s ALA 95 Ca 0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 50.91 3kru s ALA 95 Cb 0.00 -1.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 3kru s ALA 95 CO 0.00 0.57 0.82 0.08 0.00 0.00 0.00 175.76 177.23 3kru s VAL 96 N -1.74 4.55 -0.20 0.00 1.01 -0.14 -3.99 120.40 119.88 3kru s VAL 96 Ca 0.38 1.76 -0.06 0.00 0.00 0.00 0.00 61.98 64.07 3kru s VAL 96 Cb -0.12 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3kru s VAL 96 CO 0.28 0.41 0.02 -0.32 0.00 0.00 0.00 175.10 175.48 3kru s MET 97 N -0.40 3.67 0.22 2.72 1.75 -1.26 -1.02 119.30 124.99 3kru s MET 97 Ca 0.40 -0.49 0.09 0.00 -1.25 0.00 0.00 55.69 54.44 3kru s MET 97 Cb -0.22 -3.12 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 3kru s MET 97 CO 0.26 0.03 -0.07 0.20 -0.65 0.00 0.00 175.02 174.78 3kru s GLY 98 N 0.97 1.72 -0.07 2.11 0.00 0.41 -0.60 107.32 111.85 3kru s GLY 98 Ca 0.02 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.18 3kru s GLY 98 CO 0.02 -1.63 -0.14 -1.50 0.00 0.00 0.00 173.10 169.85 3kru s ILE 99 N -2.02 1.30 -0.54 0.90 2.07 -0.52 -0.95 121.20 121.44 3kru s ILE 99 Ca 0.28 -0.57 -0.23 0.00 -1.41 0.00 0.00 60.65 58.72 3kru s ILE 99 Cb -0.07 -1.17 0.05 0.00 0.13 0.00 0.00 42.46 41.39 3kru s ILE 99 CO 0.17 0.39 0.86 -1.58 -1.91 0.00 0.00 174.94 172.87 3kru s GLN 100 N 0.64 3.28 -0.04 3.50 0.74 -1.10 -0.73 119.66 125.95 3kru s GLN 100 Ca -0.15 -0.43 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 3kru s GLN 100 Cb -0.16 -4.07 -0.03 0.00 1.10 0.00 0.00 33.01 29.86 3kru s GLN 100 CO 0.04 -1.42 1.06 -0.51 -0.55 0.00 0.00 175.29 173.91 3kru s LEU 101 N 3.61 4.31 0.07 3.68 1.43 0.83 -0.82 118.68 131.79 3kru s LEU 101 Ca 0.26 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 55.08 3kru s LEU 101 Cb -0.14 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3kru s LEU 101 CO 0.17 -0.41 -0.08 0.00 0.23 0.00 0.00 176.35 176.26 3kru s ALA 102 N 1.59 0.85 -0.20 4.21 0.00 -0.73 -1.52 121.76 125.96 3kru s ALA 102 Ca 0.52 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 3kru s ALA 102 Cb -0.22 0.08 0.10 0.00 0.00 0.00 0.00 23.12 23.08 3kru s ALA 102 CO 0.24 -0.10 0.35 -1.58 0.00 0.00 0.00 175.76 174.67 3kru s HIS 103 N -2.41 -0.66 0.10 0.00 2.46 -1.26 -1.39 115.29 112.13 3kru s HIS 103 Ca 0.01 1.03 0.32 0.00 0.47 0.00 0.00 55.06 56.89 3kru s HIS 103 Cb -0.03 0.06 1.28 0.00 -0.13 0.00 0.00 32.58 33.76 3kru s HIS 103 CO -0.01 -0.54 1.96 0.00 -2.47 0.00 0.00 174.74 173.67 3kru h ALA 104 N 8.22 1.01 -0.62 1.58 0.00 -0.91 0.10 119.26 128.64 3kru h ALA 104 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kru h ALA 104 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kru h ALA 104 CO 0.19 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3kru n GLY 105 N 0.06 3.03 0.10 0.00 0.00 -1.26 -1.12 105.19 106.00 3kru n GLY 105 Ca 0.01 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3kru n GLY 105 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kru n ARG 106 N 14.00 0.13 -0.24 1.61 1.85 -0.77 -1.55 116.66 131.69 3kru n ARG 106 Ca 0.00 0.42 0.07 0.00 -1.00 0.00 0.00 57.85 57.34 3kru n ARG 106 Cb 0.00 -1.78 0.20 0.00 -1.05 0.00 0.00 32.46 29.83 3kru n ARG 106 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3kru n LYS 107 N -2.04 2.08 -1.70 2.89 5.02 -0.27 -4.34 118.16 119.80 3kru n LYS 107 Ca 0.02 -1.65 -0.42 0.00 -2.02 0.00 0.00 58.31 54.24 3kru n LYS 107 Cb 0.18 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3kru n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kru n ASN 109 N 6.62 4.45 -4.25 0.00 5.15 0.51 -4.75 115.26 122.99 3kru n ASN 109 Ca 0.19 -3.74 -0.38 0.00 -0.60 0.00 0.00 54.58 50.05 3kru n ASN 109 Cb 0.40 -0.74 -0.12 0.00 -0.53 0.00 0.00 39.78 38.79 3kru n ASN 109 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kru s ILE 110 N -3.84 3.84 0.48 -1.44 1.01 -1.25 -4.82 121.20 115.19 3kru s ILE 110 Ca 0.54 -1.33 0.25 0.00 0.00 0.00 0.00 60.65 60.11 3kru s ILE 110 Cb 0.45 -3.28 0.29 0.00 0.01 0.00 0.00 42.46 39.93 3kru s ILE 110 CO 0.03 -0.34 2.12 0.77 0.00 0.00 0.00 174.94 177.52 3kru h SER 111 N 8.25 0.00 0.14 3.58 4.64 -1.97 -1.72 113.55 126.47 3kru h SER 111 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3kru h SER 111 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3kru h SER 111 CO 0.66 0.09 -0.36 0.00 -0.87 0.00 0.00 176.83 176.34 3kru n TYR 112 N -3.90 0.00 -1.93 4.77 0.18 -1.26 -4.96 117.16 110.06 3kru n TYR 112 Ca -0.02 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.46 3kru n TYR 112 Cb 0.18 -0.08 0.04 0.00 -0.38 0.00 0.00 39.34 39.11 3kru n TYR 112 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3kru s GLU 113 N -2.52 2.94 -1.36 -3.48 0.41 -0.65 -4.97 118.70 109.08 3kru s GLU 113 Ca 0.21 0.44 -0.14 0.00 -0.41 0.00 0.00 54.97 55.08 3kru s GLU 113 Cb 0.19 -2.05 0.09 0.00 -1.78 0.00 0.00 34.13 30.58 3kru s GLU 113 CO 0.55 -0.96 1.97 -3.47 -0.49 0.00 0.00 175.26 172.86 3kru n ASP 114 N -2.94 4.52 -4.71 -0.19 2.03 -1.26 -4.98 116.55 109.02 3kru n ASP 114 Ca 0.07 -2.94 -0.42 0.00 0.52 0.00 0.00 54.79 52.02 3kru n ASP 114 Cb 0.57 -1.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.31 3kru n ASP 114 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kru s VAL 115 N 2.55 3.17 0.14 5.18 1.01 -1.26 -4.87 120.40 126.32 3kru s VAL 115 Ca 0.46 0.81 0.05 0.00 0.00 0.00 0.00 61.98 63.30 3kru s VAL 115 Cb 0.09 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3kru s VAL 115 CO -0.02 0.05 -0.13 0.68 0.00 0.00 0.00 175.10 175.68 3kru s VAL 116 N 1.36 1.29 0.31 2.92 -7.23 -1.26 -1.15 120.40 116.63 3kru s VAL 116 Ca 0.66 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.78 3kru s VAL 116 Cb -0.38 -1.66 0.05 0.00 0.56 0.00 0.00 36.38 34.95 3kru s VAL 116 CO 0.30 -0.55 0.82 -0.83 -0.31 0.00 0.00 175.10 174.54 3kru s GLY 117 N -2.76 0.15 0.32 2.32 0.00 -0.62 -1.85 107.32 104.88 3kru s GLY 117 Ca 0.12 -0.48 0.10 0.00 0.00 0.00 0.00 44.72 44.46 3kru s GLY 117 CO 0.02 0.16 1.73 -0.56 0.00 0.00 0.00 173.10 174.45 3kru h PRO 118 N 2.00 0.10 -3.59 2.90 0.13 -1.86 -1.19 132.00 130.49 3kru h PRO 118 Ca -0.27 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 3kru h PRO 118 Cb 1.24 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.17 3kru h PRO 118 CO 0.34 0.52 -0.52 -1.12 -0.23 0.00 0.00 178.00 176.98 3kru s SER 119 N -6.90 0.06 -1.36 1.44 0.01 -1.26 -4.45 113.70 101.26 3kru s SER 119 Ca -0.03 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 56.80 3kru s SER 119 Cb 0.14 0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.59 3kru s SER 119 CO 0.75 -0.36 2.00 -0.81 0.41 0.00 0.00 173.24 175.23 3kru n PRO 120 N 1.46 2.91 -4.16 12.44 -0.04 -1.26 -4.81 135.00 141.53 3kru n PRO 120 Ca -0.23 -2.86 -0.20 0.00 -0.04 0.00 0.00 63.50 60.17 3kru n PRO 120 Cb 0.55 -3.38 -0.16 0.00 -0.04 0.00 0.00 33.50 30.47 3kru n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kru s ILE 121 N 3.96 0.53 0.53 0.52 1.01 -1.26 -4.91 121.20 121.58 3kru s ILE 121 Ca 0.51 -0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.84 3kru s ILE 121 Cb 0.09 -0.56 -0.06 0.00 0.01 0.00 0.00 42.46 41.95 3kru s ILE 121 CO -0.00 0.22 1.14 -0.54 0.00 0.00 0.00 174.94 175.76 3kru s LYS 122 N 0.91 3.40 0.43 2.79 1.02 -1.26 -4.54 119.74 122.49 3kru s LYS 122 Ca -0.11 1.65 0.16 0.00 0.02 0.00 0.00 55.97 57.68 3kru s LYS 122 Cb -0.14 -2.06 0.96 0.00 -0.52 0.00 0.00 37.83 36.07 3kru s LYS 122 CO 0.00 -0.82 1.94 0.00 -0.92 0.00 0.00 175.35 175.56 3kru h ALA 123 N 1.31 1.53 0.00 5.17 0.00 -1.85 -3.48 119.26 121.95 3kru h ALA 123 Ca -0.50 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3kru h ALA 123 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kru h ALA 123 CO 0.57 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.53 3kru n GLY 124 N -0.77 -0.49 0.23 0.00 0.00 -1.26 -4.86 105.19 98.05 3kru n GLY 124 Ca -0.02 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.07 3kru n GLY 124 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kru h ASP 125 N 0.00 0.00 0.72 1.61 2.03 -2.02 -2.37 116.42 116.39 3kru h ASP 125 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kru h ASP 125 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3kru h ASP 125 CO 0.00 0.15 0.00 0.54 -1.03 0.00 0.00 179.24 178.90 3kru n ARG 126 N -4.26 0.18 -3.55 4.15 1.74 -1.26 -4.86 116.66 108.79 3kru n ARG 126 Ca -0.02 0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 3kru n ARG 126 Cb 0.22 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3kru n ARG 126 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kru s TYR 127 N -2.80 3.48 0.35 -1.55 2.02 -0.89 -5.06 117.35 112.89 3kru s TYR 127 Ca 0.19 0.43 -0.27 0.00 -0.37 0.00 0.00 57.07 57.05 3kru s TYR 127 Cb 0.18 -1.93 -0.09 0.00 -0.40 0.00 0.00 41.96 39.71 3kru s TYR 127 CO 0.45 0.28 1.11 0.21 -1.57 0.00 0.00 175.55 176.03 3kru s LYS 128 N -3.53 4.34 0.05 -0.62 2.20 -1.26 -4.88 119.74 116.04 3kru s LYS 128 Ca 0.40 1.74 -0.30 0.00 -0.36 0.00 0.00 55.97 57.45 3kru s LYS 128 Cb -0.11 -2.86 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 3kru s LYS 128 CO 0.30 -0.04 1.76 -1.17 -0.36 0.00 0.00 175.35 175.83 3kru s LEU 129 N -2.08 4.38 0.47 5.43 2.96 -1.26 -4.72 118.68 123.86 3kru s LEU 129 Ca 0.52 2.54 -0.21 0.00 -0.22 0.00 0.00 54.13 56.76 3kru s LEU 129 Cb -0.29 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.77 3kru s LEU 129 CO 0.37 -0.95 1.06 -2.16 -1.32 0.00 0.00 176.35 173.34 3kru s PRO 130 N 3.27 3.84 0.22 0.98 0.04 -1.26 -4.90 135.00 137.19 3kru s PRO 130 Ca 0.78 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 3kru s PRO 130 Cb -0.41 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 3kru s PRO 130 CO 0.35 -0.41 1.14 0.50 0.04 0.00 0.00 177.00 178.61 3kru s ARG 131 N -3.03 4.56 -0.20 4.56 3.52 -0.30 -4.46 118.95 123.60 3kru s ARG 131 Ca 0.65 1.82 -0.29 0.00 -0.13 0.00 0.00 55.73 57.78 3kru s ARG 131 Cb -0.19 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 3kru s ARG 131 CO 0.23 0.05 1.33 -2.00 -0.81 0.00 0.00 175.30 174.11 3kru s GLU 132 N -0.71 4.11 0.26 5.12 2.12 -1.26 -1.59 118.70 126.75 3kru s GLU 132 Ca 0.49 1.59 -0.30 0.00 0.36 0.00 0.00 54.97 57.12 3kru s GLU 132 Cb -0.32 -3.84 -0.10 0.00 0.26 0.00 0.00 34.13 30.14 3kru s GLU 132 CO 0.38 -0.88 1.39 -0.51 -0.54 0.00 0.00 175.26 175.10 3kru s LEU 133 N 3.92 4.40 0.72 2.70 1.43 -0.45 -4.96 118.68 126.43 3kru s LEU 133 Ca 0.58 2.63 -0.11 0.00 -1.03 0.00 0.00 54.13 56.20 3kru s LEU 133 Cb -0.22 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.40 3kru s LEU 133 CO 0.19 -0.63 1.08 -0.94 0.23 0.00 0.00 176.35 176.28 3kru s SER 134 N 0.14 5.27 0.24 2.29 1.04 -1.26 -4.90 113.70 116.52 3kru s SER 134 Ca 0.56 1.34 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 3kru s SER 134 Cb -0.40 -2.18 0.23 0.00 0.10 0.00 0.00 66.02 63.77 3kru s SER 134 CO 0.45 -1.48 1.91 0.58 0.98 0.00 0.00 173.24 175.69 3kru h VAL 135 N -0.75 1.24 -0.66 5.02 2.07 -1.99 -0.16 116.25 121.02 3kru h VAL 135 Ca -0.45 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3kru h VAL 135 Cb 1.24 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3kru h VAL 135 CO 0.61 0.23 0.43 -0.08 0.02 0.00 0.00 177.57 178.78 3kru h GLU 136 N 1.25 0.86 -0.60 1.57 4.57 -2.00 -1.32 114.58 118.91 3kru h GLU 136 Ca 0.34 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.39 3kru h GLU 136 Cb -0.14 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.23 3kru h GLU 136 CO -0.08 0.57 0.06 0.93 -1.18 0.00 0.00 179.01 179.31 3kru h GLU 137 N 0.89 1.01 -0.52 1.92 5.08 -1.72 -2.22 114.58 119.02 3kru h GLU 137 Ca 0.24 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3kru h GLU 137 Cb -0.09 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 3kru h GLU 137 CO -0.06 0.96 0.22 0.82 -1.00 0.00 0.00 179.01 179.95 3kru h ILE 138 N 0.94 0.89 -0.92 3.13 2.04 -0.65 -1.44 117.51 121.50 3kru h ILE 138 Ca 0.18 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 65.99 3kru h ILE 138 Cb 0.47 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 3kru h ILE 138 CO 0.02 0.08 0.56 0.50 0.00 0.00 0.00 178.15 179.31 3kru h LYS 139 N 0.43 0.90 -0.21 2.37 1.63 -0.84 -0.08 116.57 120.78 3kru h LYS 139 Ca 0.24 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.89 3kru h LYS 139 Cb 0.21 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 3kru h LYS 139 CO -0.21 0.59 -0.28 0.66 -3.45 0.00 0.00 179.45 176.77 3kru h SER 140 N 0.93 0.41 -0.18 4.20 4.64 -0.75 -0.69 113.55 122.11 3kru h SER 140 Ca 0.44 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 61.45 3kru h SER 140 Cb 0.39 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3kru h SER 140 CO -0.24 0.69 -0.56 0.40 -0.87 0.00 0.00 176.83 176.24 3kru h ILE 141 N 0.36 1.31 -0.58 0.95 2.04 -0.29 -0.70 117.51 120.60 3kru h ILE 141 Ca 0.05 -1.79 0.11 0.00 1.00 0.00 0.00 64.86 64.23 3kru h ILE 141 Cb 0.68 1.93 -0.09 0.00 -0.74 0.00 0.00 36.82 38.60 3kru h ILE 141 CO 0.05 0.56 0.08 0.58 0.00 0.00 0.00 178.15 179.42 3kru h VAL 142 N 0.40 0.61 -0.98 1.67 2.07 -0.88 -0.88 116.25 118.26 3kru h VAL 142 Ca -0.02 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3kru h VAL 142 Cb 1.18 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3kru h VAL 142 CO 0.12 0.04 0.65 0.50 0.02 0.00 0.00 177.57 178.90 3kru h LYS 143 N 0.20 1.27 -0.78 1.57 3.64 -0.90 -2.07 116.57 119.49 3kru h LYS 143 Ca 0.30 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3kru h LYS 143 Cb 0.46 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 3kru h LYS 143 CO -0.43 0.84 0.34 0.00 -2.27 0.00 0.00 179.45 177.93 3kru h ALA 144 N 1.40 1.13 -0.67 5.00 0.00 -0.16 0.25 119.26 126.21 3kru h ALA 144 Ca 0.37 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kru h ALA 144 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3kru h ALA 144 CO -0.09 0.64 0.24 0.74 0.00 0.00 0.00 179.25 180.78 3kru h PHE 145 N 1.12 1.05 -0.27 0.00 0.04 -0.64 -0.67 116.94 117.58 3kru h PHE 145 Ca 0.27 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.97 3kru h PHE 145 Cb 0.16 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 3kru h PHE 145 CO 0.02 0.83 0.11 0.78 -0.60 0.00 0.00 178.31 179.45 3kru h GLY 146 N 0.96 0.35 1.42 -1.45 0.00 -0.73 -0.82 103.07 102.80 3kru h GLY 146 Ca 0.22 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.40 3kru h GLY 146 CO -0.01 0.05 -0.05 0.83 0.00 0.00 0.00 176.54 177.35 3kru h GLU 147 N 0.24 0.70 -0.73 4.80 5.08 -0.73 -1.34 114.58 122.60 3kru h GLU 147 Ca 0.12 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3kru h GLU 147 Cb 0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3kru h GLU 147 CO -0.10 0.76 0.27 0.00 -1.00 0.00 0.00 179.01 178.94 3kru h ALA 148 N 1.29 1.10 -0.63 3.43 0.00 -0.78 -1.14 119.26 122.54 3kru h ALA 148 Ca 0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3kru h ALA 148 Cb 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kru h ALA 148 CO 0.03 0.63 0.10 0.00 0.00 0.00 0.00 179.25 180.00 3kru h ALA 149 N 1.23 0.83 -0.33 0.00 0.00 -0.71 0.14 119.26 120.41 3kru h ALA 149 Ca 0.24 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kru h ALA 149 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3kru h ALA 149 CO -0.02 0.60 0.16 -0.22 0.00 0.00 0.00 179.25 179.77 3kru h LYS 150 N 0.95 0.33 -0.69 0.00 3.64 -0.96 -1.29 116.57 118.54 3kru h LYS 150 Ca 0.19 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3kru h LYS 150 Cb 0.44 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3kru h LYS 150 CO 0.01 0.22 0.16 0.00 -2.27 0.00 0.00 179.45 177.57 3kru h ARG 151 N 0.34 1.11 -0.95 1.90 3.08 -0.98 -2.18 114.38 116.69 3kru h ARG 151 Ca 0.14 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3kru h ARG 151 Cb 0.06 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 3kru h ARG 151 CO -0.10 0.98 0.62 0.00 -1.07 0.00 0.00 179.97 180.40 3kru h ALA 152 N 1.07 1.30 -0.62 0.04 0.00 -0.39 -0.73 119.26 119.94 3kru h ALA 152 Ca 0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3kru h ALA 152 Cb 0.38 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kru h ALA 152 CO 0.00 0.64 0.08 -0.97 0.00 0.00 0.00 179.25 179.00 3kru h ASN 153 N 1.30 1.01 -0.10 0.00 -1.24 -0.91 -1.86 115.58 113.77 3kru h ASN 153 Ca 0.35 -0.27 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 3kru h ASN 153 Cb -0.13 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.63 3kru h ASN 153 CO -0.07 1.03 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.98 3kru h LEU 154 N 0.95 0.33 -0.41 0.34 3.38 -0.80 -1.59 115.31 117.51 3kru h LEU 154 Ca 0.19 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kru h LEU 154 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kru h LEU 154 CO 0.02 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3kru h ALA 155 N 1.62 1.00 0.00 1.53 0.00 -0.75 -3.47 119.26 119.18 3kru h ALA 155 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kru h ALA 155 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kru h ALA 155 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3kru n GLY 156 N 0.75 0.95 3.75 0.00 0.00 -0.60 -4.51 105.19 105.54 3kru n GLY 156 Ca 0.04 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3kru n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kru n TYR 157 N -2.09 2.49 -0.00 1.61 4.01 -0.91 -4.93 117.16 117.34 3kru n TYR 157 Ca 0.00 0.43 -0.07 0.00 -0.16 0.00 0.00 57.90 58.10 3kru n TYR 157 Cb 0.00 -2.41 -0.13 0.00 -0.31 0.00 0.00 39.34 36.50 3kru n TYR 157 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kru h ASP 158 N 1.78 0.00 -3.64 7.72 3.32 -1.20 -3.44 116.42 120.95 3kru h ASP 158 Ca -0.51 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.26 3kru h ASP 158 Cb 1.29 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.53 3kru h ASP 158 CO 0.59 0.94 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.63 3kru s VAL 159 N -2.66 0.06 -0.14 -1.35 1.01 -1.07 -4.08 120.40 112.18 3kru s VAL 159 Ca -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3kru s VAL 159 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.32 3kru s VAL 159 CO 0.82 0.06 -0.04 0.54 0.00 0.00 0.00 175.10 176.49 3kru s VAL 160 N 0.49 3.92 -0.12 2.92 0.11 -1.13 -1.44 120.40 125.16 3kru s VAL 160 Ca -0.04 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 3kru s VAL 160 Cb -0.07 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 32.07 3kru s VAL 160 CO -0.01 0.52 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.45 3kru s GLU 161 N 0.06 3.24 -0.21 1.54 2.12 0.09 -0.49 118.70 125.05 3kru s GLU 161 Ca 0.00 -0.68 -0.18 0.00 0.36 0.00 0.00 54.97 54.48 3kru s GLU 161 Cb -0.13 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 3kru s GLU 161 CO 0.03 0.30 0.49 0.42 -0.54 0.00 0.00 175.26 175.95 3kru s ILE 162 N 0.14 5.12 -0.84 -3.70 1.01 -0.05 -0.12 121.20 122.75 3kru s ILE 162 Ca -0.06 0.88 -0.21 0.00 0.00 0.00 0.00 60.65 61.25 3kru s ILE 162 Cb -0.15 -3.81 0.09 0.00 0.01 0.00 0.00 42.46 38.60 3kru s ILE 162 CO 0.05 0.17 1.14 -2.28 0.00 0.00 0.00 174.94 174.02 3kru s HIS 163 N 1.73 2.81 -0.26 3.97 2.46 -0.57 -1.08 115.29 124.34 3kru s HIS 163 Ca 0.22 -0.92 0.13 0.00 0.47 0.00 0.00 55.06 54.96 3kru s HIS 163 Cb -0.15 -4.38 0.68 0.00 -0.13 0.00 0.00 32.58 28.60 3kru s HIS 163 CO 0.09 -1.66 1.65 0.00 -2.47 0.00 0.00 174.74 172.35 3kru n ALA 164 N 7.54 3.92 -4.28 1.58 0.00 0.44 -4.58 120.51 125.12 3kru n ALA 164 Ca 0.15 -2.30 -0.16 0.00 0.00 0.00 0.00 53.44 51.13 3kru n ALA 164 Cb 0.48 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 3kru n ALA 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kru n ALA 165 N -0.15 0.23 -2.25 0.00 0.00 -1.03 -3.50 120.51 113.81 3kru n ALA 165 Ca 0.31 -1.12 -0.20 0.00 0.00 0.00 0.00 53.44 52.44 3kru n ALA 165 Cb 1.17 0.64 -0.02 0.00 0.00 0.00 0.00 19.45 21.24 3kru n ALA 165 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kru n HIS 166 N -0.59 -0.88 -0.77 0.00 8.25 -1.21 -2.43 115.22 117.59 3kru n HIS 166 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3kru n HIS 166 Cb 0.32 -3.71 0.00 0.00 1.12 0.00 0.00 29.99 27.72 3kru n HIS 166 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kru n GLY 167 N -0.87 0.71 0.00 -1.41 0.00 -1.25 -4.48 105.19 97.90 3kru n GLY 167 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kru n GLY 167 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kru n TYR 168 N -2.49 -3.16 0.09 1.61 4.01 -1.02 -4.55 117.16 111.65 3kru n TYR 168 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 3kru n TYR 168 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 3kru n TYR 168 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3kru h LEU 169 N 0.00 -0.23 -0.31 7.72 5.85 -1.04 -0.22 115.31 127.07 3kru h LEU 169 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kru h LEU 169 Cb 0.00 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3kru h LEU 169 CO 0.00 -0.14 0.09 0.40 -0.34 0.00 0.00 178.44 178.45 3kru h ILE 170 N -0.19 1.21 -0.89 4.05 2.04 -1.81 -2.05 117.51 119.87 3kru h ILE 170 Ca 0.01 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.30 3kru h ILE 170 Cb 0.19 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3kru h ILE 170 CO -0.03 0.23 0.51 -0.74 0.00 0.00 0.00 178.15 178.13 3kru h HIS 171 N 0.35 0.91 -0.23 1.37 2.76 -1.54 -1.11 115.15 117.66 3kru h HIS 171 Ca 0.10 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3kru h HIS 171 Cb 0.27 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 3kru h HIS 171 CO 0.01 0.31 0.13 0.93 -1.30 0.00 0.00 177.93 178.01 3kru h GLU 172 N 0.79 0.30 -0.05 5.26 5.08 -0.34 -0.75 114.58 124.86 3kru h GLU 172 Ca 0.46 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.59 3kru h GLU 172 Cb 0.52 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3kru h GLU 172 CO -0.30 0.22 -0.80 0.74 -1.00 0.00 0.00 179.01 177.88 3kru h PHE 173 N 0.31 0.57 -0.03 4.33 0.04 -0.83 -3.18 116.94 118.15 3kru h PHE 173 Ca 0.08 -0.27 -0.13 0.00 2.80 0.00 0.00 57.97 60.45 3kru h PHE 173 Cb 0.01 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3kru h PHE 173 CO 0.00 1.05 -0.58 -0.07 -0.60 0.00 0.00 178.31 178.11 3kru h LEU 174 N 0.26 0.11 -9.22 1.54 3.38 -0.17 -3.43 115.31 107.78 3kru h LEU 174 Ca -0.05 -0.06 -0.59 0.00 0.09 0.00 0.00 57.88 57.27 3kru h LEU 174 Cb 1.40 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 42.02 3kru h LEU 174 CO 0.14 0.67 -0.14 -0.55 0.09 0.00 0.00 178.44 178.64 3kru s SER 175 N -6.87 6.56 0.66 -0.43 0.15 -0.40 -4.89 113.70 108.48 3kru s SER 175 Ca -0.03 0.67 0.43 0.00 0.70 0.00 0.00 55.95 57.72 3kru s SER 175 Cb 0.13 -2.26 2.35 0.00 -1.71 0.00 0.00 66.02 64.52 3kru s SER 175 CO 0.77 -0.06 2.35 -0.65 1.20 0.00 0.00 173.24 176.85 3kru h PRO 176 N 7.10 0.00 0.00 5.44 0.11 -1.82 -0.95 132.00 141.87 3kru h PRO 176 Ca -0.38 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 3kru h PRO 176 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3kru h PRO 176 CO 0.74 0.00 -0.30 -0.07 -0.21 0.00 0.00 178.00 178.16 3kru h LEU 177 N 0.00 0.00 0.00 2.35 3.38 -1.93 -3.29 115.31 115.82 3kru h LEU 177 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kru h LEU 177 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3kru h LEU 177 CO -0.00 0.30 -0.81 -1.54 0.09 0.00 0.00 178.44 176.48 3kru n SER 178 N -3.55 2.26 -4.22 -0.43 3.41 -0.85 -4.93 113.62 105.32 3kru n SER 178 Ca -0.00 -0.27 -0.40 0.00 -0.26 0.00 0.00 58.87 57.94 3kru n SER 178 Cb 0.45 1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 65.44 3kru n SER 178 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kru s ASN 179 N -2.13 5.59 -0.17 4.04 3.84 -0.42 -4.16 114.94 121.54 3kru s ASN 179 Ca -0.00 -1.78 0.16 0.00 0.21 0.00 0.00 52.86 51.44 3kru s ASN 179 Cb 0.04 -1.97 0.60 0.00 -0.55 0.00 0.00 41.25 39.37 3kru s ASN 179 CO 0.22 -0.61 1.51 0.29 -2.79 0.00 0.00 177.10 175.72 3kru n LYS 180 N 4.86 3.49 -2.17 0.43 4.76 -1.26 -4.64 118.16 123.62 3kru n LYS 180 Ca -0.08 -2.86 -0.35 0.00 -2.87 0.00 0.00 58.31 52.15 3kru n LYS 180 Cb 0.42 -1.91 0.01 0.00 -1.84 0.00 0.00 35.03 31.71 3kru n LYS 180 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3kru s ARG 181 N -2.58 3.26 -0.00 1.97 0.52 -1.26 -4.94 118.95 115.92 3kru s ARG 181 Ca 0.44 1.59 0.02 0.00 -0.52 0.00 0.00 55.73 57.26 3kru s ARG 181 Cb 0.34 -1.99 0.04 0.00 0.52 0.00 0.00 34.95 33.86 3kru s ARG 181 CO 0.13 -0.92 1.03 1.63 0.02 0.00 0.00 175.30 177.19 3kru n LYS 182 N -1.47 2.95 0.00 3.54 4.76 -1.26 -2.76 118.16 123.92 3kru n LYS 182 Ca 0.12 -1.59 0.00 0.00 -2.87 0.00 0.00 58.31 53.97 3kru n LYS 182 Cb 0.51 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 3kru n LYS 182 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3kru n ASP 183 N -0.40 0.00 0.00 4.39 5.68 -1.26 -4.92 116.55 120.04 3kru n ASP 183 Ca 0.02 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.40 3kru n ASP 183 Cb 0.28 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.71 3kru n ASP 183 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3kru n GLU 184 N 0.00 0.22 -0.39 0.11 0.00 -1.26 -2.06 120.64 117.26 3kru n GLU 184 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 57.16 57.37 3kru n GLU 184 Cb 0.00 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.21 3kru n GLU 184 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3kru n TYR 185 N -1.32 0.97 -4.10 -1.84 4.01 -1.26 -4.52 117.16 109.10 3kru n TYR 185 Ca 0.08 -0.57 -0.12 0.00 -0.16 0.00 0.00 57.90 57.13 3kru n TYR 185 Cb 0.15 -0.11 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 3kru n TYR 185 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3kru s GLY 186 N -1.07 1.19 0.00 2.72 0.00 -0.88 -4.00 107.32 105.29 3kru s GLY 186 Ca 0.41 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3kru s GLY 186 CO 0.23 -1.02 0.00 -2.01 0.00 0.00 0.00 173.10 170.30 3kru n ASN 187 N -0.70 0.00 -4.85 1.64 5.15 -1.11 -4.62 115.26 110.77 3kru n ASN 187 Ca 0.01 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.67 3kru n ASN 187 Cb 0.63 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.87 3kru n ASN 187 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kru s SER 188 N -3.92 6.37 0.30 1.20 1.04 -1.26 -4.83 113.70 112.60 3kru s SER 188 Ca 0.00 1.53 -0.01 0.00 0.48 0.00 0.00 55.95 57.94 3kru s SER 188 Cb 0.00 -2.49 0.45 0.00 0.10 0.00 0.00 66.02 64.08 3kru s SER 188 CO 0.00 -0.76 1.91 -0.29 0.98 0.00 0.00 173.24 175.08 3kru h ILE 189 N 0.34 1.21 -0.81 -1.02 2.10 -1.99 0.26 117.51 117.60 3kru h ILE 189 Ca -0.46 -0.55 -0.01 0.00 1.08 0.00 0.00 64.86 64.93 3kru h ILE 189 Cb 1.19 0.31 -0.04 0.00 -1.09 0.00 0.00 36.82 37.19 3kru h ILE 189 CO 0.61 0.24 0.47 -0.33 -1.08 0.00 0.00 178.15 178.06 3kru h GLU 190 N 0.95 1.11 -0.39 2.19 3.07 -1.97 -1.77 114.58 117.77 3kru h GLU 190 Ca 0.24 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 3kru h GLU 190 Cb 0.05 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3kru h GLU 190 CO -0.04 0.80 -0.12 -0.91 -1.40 0.00 0.00 179.01 177.34 3kru h ASN 191 N 1.12 0.78 0.09 1.42 4.21 -1.56 -2.50 115.58 119.14 3kru h ASN 191 Ca 0.29 -0.37 -0.02 0.00 1.21 0.00 0.00 56.30 57.40 3kru h ASN 191 Cb -0.01 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 36.97 3kru h ASN 191 CO -0.05 0.98 -0.10 0.03 -1.29 0.00 0.00 177.43 176.99 3kru h ARG 192 N 0.58 0.03 0.00 0.81 3.08 -0.83 -2.50 114.38 115.55 3kru h ARG 192 Ca 0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3kru h ARG 192 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3kru h ARG 192 CO 0.04 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 179.08 3kru h ALA 193 N 1.87 1.00 -0.62 0.04 0.00 -1.11 -3.35 119.26 117.09 3kru h ALA 193 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3kru h ALA 193 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3kru h ALA 193 CO 0.01 0.00 0.27 -0.09 0.00 0.00 0.00 179.25 179.45 3kru h ARG 194 N 0.00 0.47 -0.27 0.00 2.43 -1.00 -1.23 114.38 114.78 3kru h ARG 194 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3kru h ARG 194 Cb 0.83 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3kru h ARG 194 CO 0.00 0.31 0.15 0.35 -1.51 0.00 0.00 179.97 179.27 3kru h PHE 195 N 0.49 0.38 -0.54 2.20 3.57 -1.77 -0.21 116.94 121.06 3kru h PHE 195 Ca 0.30 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.83 3kru h PHE 195 Cb 0.32 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3kru h PHE 195 CO -0.14 0.33 0.30 1.25 -2.23 0.00 0.00 178.31 177.82 3kru h LEU 196 N 0.32 0.46 -0.58 0.59 5.85 -1.68 -0.14 115.31 120.14 3kru h LEU 196 Ca 0.10 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3kru h LEU 196 Cb 0.08 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3kru h LEU 196 CO -0.01 0.32 0.16 0.40 -0.34 0.00 0.00 178.44 178.96 3kru h ILE 197 N 0.59 1.25 -0.53 4.05 2.04 -0.85 -1.09 117.51 122.96 3kru h ILE 197 Ca 0.23 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 3kru h ILE 197 Cb 0.08 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3kru h ILE 197 CO -0.13 0.32 0.12 -0.33 0.00 0.00 0.00 178.15 178.13 3kru h GLU 198 N 0.83 0.86 -0.34 2.37 5.08 -0.72 -0.69 114.58 121.97 3kru h GLU 198 Ca 0.18 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3kru h GLU 198 Cb 0.32 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3kru h GLU 198 CO -0.00 0.82 0.14 0.28 -1.00 0.00 0.00 179.01 179.25 3kru h VAL 199 N 0.75 0.93 -0.06 3.13 2.07 -0.76 -0.22 116.25 122.09 3kru h VAL 199 Ca 0.16 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3kru h VAL 199 Cb 0.36 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3kru h VAL 199 CO 0.00 0.05 -0.02 0.40 0.02 0.00 0.00 177.57 178.03 3kru h ILE 200 N 0.30 0.92 -0.71 4.57 2.04 -0.96 0.43 117.51 124.10 3kru h ILE 200 Ca 0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.07 3kru h ILE 200 Cb 0.10 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3kru h ILE 200 CO -0.14 0.00 0.40 0.44 0.00 0.00 0.00 178.15 178.86 3kru h ASP 201 N -0.01 0.60 -0.09 1.72 3.32 -0.95 -0.44 116.42 120.57 3kru h ASP 201 Ca 0.03 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3kru h ASP 201 Cb 0.06 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3kru h ASP 201 CO -0.07 0.38 -0.54 -0.08 -1.72 0.00 0.00 179.24 177.21 3kru h GLU 202 N 0.73 0.67 -0.41 3.56 4.57 -0.69 -2.16 114.58 120.85 3kru h GLU 202 Ca 0.32 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3kru h GLU 202 Cb 0.20 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 3kru h GLU 202 CO -0.19 1.04 0.25 0.28 -1.18 0.00 0.00 179.01 179.21 3kru h VAL 203 N 0.52 1.06 -0.83 0.32 2.07 -0.64 -2.86 116.25 115.89 3kru h VAL 203 Ca 0.01 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.45 3kru h VAL 203 Cb 1.10 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 3kru h VAL 203 CO 0.11 0.09 0.48 0.03 0.02 0.00 0.00 177.57 178.30 3kru h ARG 204 N 0.50 0.79 -0.02 1.57 3.08 -0.86 0.13 114.38 119.58 3kru h ARG 204 Ca 0.16 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3kru h ARG 204 Cb -0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 3kru h ARG 204 CO -0.06 0.52 0.06 0.87 -1.07 0.00 0.00 179.97 180.29 3kru h LYS 205 N 0.82 0.00 -0.02 0.04 1.57 -1.16 -2.86 116.57 114.96 3kru h LYS 205 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3kru h LYS 205 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kru h LYS 205 CO -0.24 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.73 3kru n ASN 206 N -3.34 2.14 -3.90 0.86 3.02 -0.07 -5.00 115.26 108.97 3kru n ASN 206 Ca -0.02 -2.20 -0.24 0.00 -0.03 0.00 0.00 54.58 52.09 3kru n ASN 206 Cb 0.13 -0.10 -0.17 0.00 -0.61 0.00 0.00 39.78 39.04 3kru n ASN 206 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3kru s TRP 207 N -1.35 1.13 0.16 3.10 -0.11 -0.60 -3.39 118.94 117.88 3kru s TRP 207 Ca 0.07 -0.44 -0.34 0.00 1.22 0.00 0.00 56.10 56.61 3kru s TRP 207 Cb 0.06 -0.96 -0.15 0.00 -1.50 0.00 0.00 33.47 30.92 3kru s TRP 207 CO 0.02 -0.34 1.33 -2.30 -4.62 0.00 0.00 176.95 171.04 3kru n PRO 208 N 4.48 1.50 0.29 5.86 -0.02 -1.26 -4.82 135.00 141.03 3kru n PRO 208 Ca -0.17 0.54 0.19 0.00 -2.02 0.00 0.00 63.50 62.04 3kru n PRO 208 Cb 0.51 -2.15 1.04 0.00 -0.02 0.00 0.00 33.50 32.87 3kru n PRO 208 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3kru h GLU 209 N 4.29 0.00 -0.63 -0.52 4.11 -1.99 -1.11 114.58 118.72 3kru h GLU 209 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3kru h GLU 209 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3kru h GLU 209 CO 0.76 0.00 0.00 0.27 0.07 0.00 0.00 179.01 180.11 3kru n ASN 210 N -2.86 3.37 -4.49 3.06 6.94 -1.26 -4.88 115.26 115.14 3kru n ASN 210 Ca -0.03 -2.00 -0.33 0.00 -0.02 0.00 0.00 54.58 52.21 3kru n ASN 210 Cb 0.08 -0.42 -0.13 0.00 -2.36 0.00 0.00 39.78 36.96 3kru n ASN 210 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3kru s LYS 211 N -1.16 2.48 0.61 -3.83 1.02 -0.42 -1.54 119.74 116.90 3kru s LYS 211 Ca 0.42 -0.71 -0.14 0.00 0.02 0.00 0.00 55.97 55.56 3kru s LYS 211 Cb 0.22 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 3kru s LYS 211 CO 0.29 0.62 1.04 -1.25 -0.92 0.00 0.00 175.35 175.13 3kru s PRO 212 N -0.85 3.33 -0.13 -1.68 0.04 -1.26 -4.85 135.00 129.60 3kru s PRO 212 Ca 0.12 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.23 3kru s PRO 212 Cb -0.11 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.40 3kru s PRO 212 CO 0.01 -0.79 -0.21 0.42 0.04 0.00 0.00 177.00 176.47 3kru s ILE 213 N -2.74 1.98 0.18 0.56 1.01 -1.26 -2.85 121.20 118.08 3kru s ILE 213 Ca 0.60 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3kru s ILE 213 Cb -0.14 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3kru s ILE 213 CO 0.43 0.54 0.20 -0.36 0.00 0.00 0.00 174.94 175.75 3kru s PHE 214 N 0.81 3.24 -0.08 3.97 0.40 0.36 -0.89 117.98 125.79 3kru s PHE 214 Ca -0.08 -0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 3kru s PHE 214 Cb -0.16 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.86 3kru s PHE 214 CO -0.01 0.51 -0.09 0.08 0.70 0.00 0.00 175.22 176.41 3kru s VAL 215 N -1.83 0.99 -0.09 -0.44 1.01 -0.84 -0.87 120.40 118.33 3kru s VAL 215 Ca 0.32 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 3kru s VAL 215 Cb -0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3kru s VAL 215 CO 0.25 0.34 0.54 -0.60 0.00 0.00 0.00 175.10 175.63 3kru s ARG 216 N 1.16 4.35 0.12 2.72 3.52 -0.24 -0.53 118.95 130.05 3kru s ARG 216 Ca -0.06 0.57 0.06 0.00 -0.13 0.00 0.00 55.73 56.18 3kru s ARG 216 Cb -0.14 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3kru s ARG 216 CO -0.02 0.17 -0.14 0.14 -0.81 0.00 0.00 175.30 174.64 3kru s VAL 217 N 0.53 1.37 -0.42 7.11 -7.23 -0.73 -0.42 120.40 120.61 3kru s VAL 217 Ca 0.29 -1.73 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 3kru s VAL 217 Cb -0.16 -1.55 0.02 0.00 0.56 0.00 0.00 36.38 35.25 3kru s VAL 217 CO 0.13 -0.40 0.33 -0.44 -0.31 0.00 0.00 175.10 174.41 3kru s SER 218 N -2.46 6.13 0.00 4.85 0.01 -1.26 -0.46 113.70 120.51 3kru s SER 218 Ca 0.09 -0.88 0.28 0.00 1.31 0.00 0.00 55.95 56.74 3kru s SER 218 Cb -0.05 -2.17 1.37 0.00 0.21 0.00 0.00 66.02 65.37 3kru s SER 218 CO 0.03 -0.49 1.94 0.00 0.41 0.00 0.00 173.24 175.13 3kru n ALA 219 N 5.25 2.36 -3.63 1.44 0.00 -0.07 -4.75 120.51 121.11 3kru n ALA 219 Ca -0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 3kru n ALA 219 Cb 0.47 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 3kru n ALA 219 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kru s ASP 220 N -2.62 -0.68 0.00 0.00 -1.08 -1.26 -2.33 116.67 108.70 3kru s ASP 220 Ca 0.25 1.15 0.25 0.00 -0.52 0.00 0.00 52.55 53.68 3kru s ASP 220 Cb 0.18 1.05 0.46 0.00 -1.46 0.00 0.00 42.92 43.16 3kru s ASP 220 CO 0.43 -0.21 1.38 0.47 0.52 0.00 0.00 175.17 177.76 3kru n ASP 221 N 4.02 0.56 -3.24 -0.34 8.00 0.06 -1.14 116.55 124.46 3kru n ASP 221 Ca -0.20 -0.33 -0.23 0.00 0.71 0.00 0.00 54.79 54.73 3kru n ASP 221 Cb 0.57 0.30 0.03 0.00 -0.02 0.00 0.00 41.12 42.00 3kru n ASP 221 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kru n TYR 222 N -1.47 -2.07 -3.71 1.24 4.01 -1.26 -4.89 117.16 109.01 3kru n TYR 222 Ca 0.06 0.60 -0.11 0.00 -0.16 0.00 0.00 57.90 58.29 3kru n TYR 222 Cb 0.34 -4.19 -0.11 0.00 -0.31 0.00 0.00 39.34 35.07 3kru n TYR 222 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kru s MET 223 N -5.92 0.41 0.17 -0.72 1.75 -1.26 -5.00 119.30 108.72 3kru s MET 223 Ca 0.39 0.72 -0.34 0.00 -1.25 0.00 0.00 55.69 55.21 3kru s MET 223 Cb -0.18 0.05 -0.15 0.00 2.84 0.00 0.00 34.83 37.38 3kru s MET 223 CO 0.48 -0.13 1.35 -1.91 -0.65 0.00 0.00 175.02 174.16 3kru n GLU 224 N 3.86 1.58 -0.38 4.11 2.13 -1.26 -1.52 120.64 129.16 3kru n GLU 224 Ca -0.20 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.18 3kru n GLU 224 Cb 0.56 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.07 3kru n GLU 224 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kru n GLY 225 N 2.45 1.45 0.00 8.31 0.00 -1.26 -5.03 105.19 111.12 3kru n GLY 225 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3kru n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kru n GLY 226 N -2.00 2.12 3.76 -0.02 0.00 -0.57 -4.21 105.19 104.26 3kru n GLY 226 Ca 0.00 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 3kru n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kru s ILE 227 N 1.21 2.53 0.32 -0.61 1.01 -1.26 -4.87 121.20 119.53 3kru s ILE 227 Ca 0.00 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.15 3kru s ILE 227 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3kru s ILE 227 CO 0.00 0.09 0.14 0.54 0.00 0.00 0.00 174.94 175.71 3kru s ASN 228 N 0.09 1.78 0.33 3.58 2.20 -1.26 -0.76 114.94 120.90 3kru s ASN 228 Ca 0.56 -1.54 0.03 0.00 -0.94 0.00 0.00 52.86 50.97 3kru s ASN 228 Cb -0.43 0.33 0.63 0.00 -2.00 0.00 0.00 41.25 39.79 3kru s ASN 228 CO 0.49 -0.85 1.94 -0.29 -2.94 0.00 0.00 177.10 175.45 3kru h ILE 229 N 2.16 1.06 -0.55 0.54 6.09 -1.86 -1.16 117.51 123.78 3kru h ILE 229 Ca -0.35 -0.31 -0.04 0.00 -1.37 0.00 0.00 64.86 62.79 3kru h ILE 229 Cb 1.25 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 3kru h ILE 229 CO 0.55 0.16 0.19 0.44 -3.07 0.00 0.00 178.15 176.42 3kru h ASP 230 N 0.89 0.79 -0.43 2.19 3.32 -1.97 0.25 116.42 121.45 3kru h ASP 230 Ca 0.34 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3kru h ASP 230 Cb 0.19 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3kru h ASP 230 CO -0.11 0.77 0.24 -0.03 -1.72 0.00 0.00 179.24 178.39 3kru h MET 231 N 0.76 0.59 -0.67 3.56 4.05 -1.68 -2.29 114.93 119.26 3kru h MET 231 Ca 0.18 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 3kru h MET 231 Cb 0.26 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 3kru h MET 231 CO -0.01 0.46 0.13 1.98 0.23 0.00 0.00 176.91 179.70 3kru h MET 232 N 0.56 1.08 -0.56 0.39 1.85 -0.93 -1.45 114.93 115.87 3kru h MET 232 Ca 0.15 -0.27 0.08 0.00 -0.61 0.00 0.00 59.70 59.05 3kru h MET 232 Cb 0.04 -0.14 -0.06 0.00 0.43 0.00 0.00 31.60 31.87 3kru h MET 232 CO -0.03 0.98 0.21 0.28 -0.40 0.00 0.00 176.91 177.95 3kru h VAL 233 N 1.02 0.81 -0.55 -5.77 2.07 -0.77 0.72 116.25 113.79 3kru h VAL 233 Ca 0.21 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3kru h VAL 233 Cb 0.40 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3kru h VAL 233 CO 0.01 0.07 0.34 -0.08 0.02 0.00 0.00 177.57 177.93 3kru h GLU 234 N 0.40 0.73 -0.47 1.57 4.81 -0.77 -1.12 114.58 119.73 3kru h GLU 234 Ca 0.27 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3kru h GLU 234 Cb 0.31 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3kru h GLU 234 CO -0.27 0.51 0.28 1.88 -0.73 0.00 0.00 179.01 180.68 3kru h TYR 235 N 0.74 0.61 -0.49 0.92 0.05 -0.64 -2.58 116.97 115.58 3kru h TYR 235 Ca 0.20 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.91 3kru h TYR 235 Cb -0.05 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 3kru h TYR 235 CO -0.03 0.43 0.02 0.82 -1.05 0.00 0.00 178.16 178.35 3kru h ILE 236 N 0.62 1.24 0.00 -2.88 1.08 -0.58 -0.70 117.51 116.29 3kru h ILE 236 Ca 0.17 -0.97 -0.00 0.00 -0.39 0.00 0.00 64.86 63.66 3kru h ILE 236 Cb -0.01 0.85 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 3kru h ILE 236 CO -0.03 0.35 -0.00 0.78 -0.69 0.00 0.00 178.15 178.55 3kru h ASN 237 N 0.75 0.00 1.02 1.72 2.35 -0.83 -0.07 115.58 120.51 3kru h ASN 237 Ca 0.15 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 3kru h ASN 237 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3kru h ASN 237 CO 0.02 0.00 -0.28 0.24 -1.65 0.00 0.00 177.43 175.76 3kru h MET 238 N 0.00 0.00 -0.00 0.81 2.86 -0.78 -3.35 114.93 114.46 3kru h MET 238 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kru h MET 238 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3kru h MET 238 CO 0.00 0.28 -0.04 0.44 1.06 0.00 0.00 176.91 178.65 3kru n ILE 239 N -3.39 0.00 0.28 -1.22 -5.35 -0.66 -4.78 119.36 104.25 3kru n ILE 239 Ca 0.00 -0.48 0.13 0.00 -0.27 0.00 0.00 62.75 62.14 3kru n ILE 239 Cb 0.49 1.02 0.80 0.00 -1.74 0.00 0.00 39.64 40.21 3kru n ILE 239 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3kru h LYS 240 N 0.19 0.00 0.00 6.28 2.10 -1.19 -0.40 116.57 123.55 3kru h LYS 240 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kru h LYS 240 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3kru h LYS 240 CO 0.00 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.26 3kru n ASP 241 N -3.84 0.00 0.00 7.07 8.00 -1.26 -3.79 116.55 122.73 3kru n ASP 241 Ca -0.03 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3kru n ASP 241 Cb 0.15 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3kru n ASP 241 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kru n LYS 242 N -1.07 4.35 -4.33 -1.24 5.02 -0.18 -5.06 118.16 115.65 3kru n LYS 242 Ca 0.19 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.31 3kru n LYS 242 Cb 0.13 -0.67 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 3kru n LYS 242 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kru s VAL 243 N -1.34 1.31 -0.15 -0.18 -7.23 -1.08 -4.89 120.40 106.85 3kru s VAL 243 Ca 0.00 -2.09 0.17 0.00 -1.81 0.00 0.00 61.98 58.25 3kru s VAL 243 Cb 0.00 -2.16 -0.25 0.00 0.56 0.00 0.00 36.38 34.53 3kru s VAL 243 CO 0.00 -0.49 0.15 0.47 -0.31 0.00 0.00 175.10 174.91 3kru n ASP 244 N -0.38 0.46 -3.63 4.85 8.00 -0.07 -4.82 116.55 120.97 3kru n ASP 244 Ca -0.07 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 3kru n ASP 244 Cb 0.62 1.17 -0.07 0.00 -0.02 0.00 0.00 41.12 42.82 3kru n ASP 244 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kru s LEU 245 N -5.14 -0.71 -0.25 0.64 0.20 -1.23 -4.19 118.68 108.00 3kru s LEU 245 Ca -0.09 1.36 -0.08 0.00 0.69 0.00 0.00 54.13 56.01 3kru s LEU 245 Cb 0.07 2.40 -0.03 0.00 -0.43 0.00 0.00 46.19 48.20 3kru s LEU 245 CO 0.77 -0.25 0.09 -0.63 -0.29 0.00 0.00 176.35 176.04 3kru s ILE 246 N 0.31 4.54 -0.57 6.68 -1.09 -0.12 -1.98 121.20 128.97 3kru s ILE 246 Ca 0.00 -0.10 -0.21 0.00 -2.23 0.00 0.00 60.65 58.11 3kru s ILE 246 Cb -0.05 -3.12 0.07 0.00 -1.58 0.00 0.00 42.46 37.77 3kru s ILE 246 CO 0.00 0.34 0.79 -0.62 -1.23 0.00 0.00 174.94 174.22 3kru s ASP 247 N 1.51 6.23 -0.30 3.58 -1.08 0.31 -1.08 116.67 125.84 3kru s ASP 247 Ca 0.06 -0.91 -0.16 0.00 -0.52 0.00 0.00 52.55 51.02 3kru s ASP 247 Cb -0.15 -2.35 -0.02 0.00 -1.46 0.00 0.00 42.92 38.93 3kru s ASP 247 CO 0.05 -1.14 0.43 -0.69 0.52 0.00 0.00 175.17 174.34 3kru s VAL 248 N 3.26 5.12 0.00 1.11 1.01 -0.89 -1.77 120.40 128.24 3kru s VAL 248 Ca 0.19 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3kru s VAL 248 Cb -0.18 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3kru s VAL 248 CO 0.12 0.02 0.00 -0.24 0.00 0.00 0.00 175.10 175.00 3kru n SER 249 N 5.47 1.26 -3.58 3.32 2.88 0.39 -4.18 113.62 119.18 3kru n SER 249 Ca -0.07 -0.14 -0.10 0.00 -1.33 0.00 0.00 58.87 57.23 3kru n SER 249 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 3kru n SER 249 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3kru s SER 250 N 0.72 -0.46 0.05 -3.46 1.04 -1.26 -0.89 113.70 109.45 3kru s SER 250 Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3kru s SER 250 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3kru s SER 250 CO 0.00 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3kru n GLY 251 N -0.41 -2.15 0.00 7.32 0.00 -0.30 -4.78 105.19 104.87 3kru n GLY 251 Ca -0.12 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3kru n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kru n GLY 252 N -0.81 2.96 0.11 -0.02 0.00 -1.26 -3.35 105.19 102.81 3kru n GLY 252 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3kru n GLY 252 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kru h LEU 253 N 0.00 0.26 -8.19 0.99 5.85 -1.87 -3.30 115.31 109.05 3kru h LEU 253 Ca 0.00 -0.64 -0.15 0.00 0.84 0.00 0.00 57.88 57.93 3kru h LEU 253 Cb 0.00 -0.08 -0.17 0.00 0.37 0.00 0.00 40.66 40.79 3kru h LEU 253 CO 0.00 0.85 -0.69 -0.76 -0.34 0.00 0.00 178.44 177.51 3kru s LEU 254 N -8.79 2.42 0.10 2.25 1.43 -1.26 -4.90 118.68 109.92 3kru s LEU 254 Ca -0.15 -0.85 -0.31 0.00 -1.03 0.00 0.00 54.13 51.79 3kru s LEU 254 Cb 0.02 0.13 -0.08 0.00 0.03 0.00 0.00 46.19 46.29 3kru s LEU 254 CO 0.74 -0.49 1.53 0.20 0.23 0.00 0.00 176.35 178.56 3kru s ASN 255 N -2.49 6.68 -0.07 2.29 0.02 -1.26 -5.00 114.94 115.12 3kru s ASN 255 Ca 0.01 2.43 -0.06 0.00 -1.02 0.00 0.00 52.86 54.22 3kru s ASN 255 Cb 0.02 -2.58 0.02 0.00 0.02 0.00 0.00 41.25 38.73 3kru s ASN 255 CO -0.07 -0.79 0.18 -0.69 0.02 0.00 0.00 177.10 175.75 3kru s VAL 256 N 1.82 -0.00 -0.25 1.60 1.01 -1.26 -5.13 120.40 118.19 3kru s VAL 256 Ca 0.69 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.45 3kru s VAL 256 Cb -0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3kru s VAL 256 CO 0.31 0.01 0.81 -1.81 0.00 0.00 0.00 175.10 174.41 3kru s ASP 257 N 0.21 6.80 0.27 3.32 1.01 -1.26 -5.04 116.67 121.98 3kru s ASP 257 Ca -0.01 0.99 0.09 0.00 0.71 0.00 0.00 52.55 54.33 3kru s ASP 257 Cb -0.02 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 3kru s ASP 257 CO -0.01 -0.51 -0.13 0.27 0.21 0.00 0.00 175.17 175.00 3kru s ILE 258 N 2.82 2.04 -0.29 0.77 -4.36 -1.26 -5.10 121.20 115.82 3kru s ILE 258 Ca 0.34 -2.25 -0.29 0.00 -0.26 0.00 0.00 60.65 58.19 3kru s ILE 258 Cb -0.15 -2.33 -0.01 0.00 1.25 0.00 0.00 42.46 41.22 3kru s ILE 258 CO 0.08 -0.39 1.39 0.21 0.24 0.00 0.00 174.94 176.47 3kru s ASN 259 N -3.46 6.56 -0.17 4.36 2.47 -1.26 -5.01 114.94 118.43 3kru s ASN 259 Ca 0.28 1.28 -0.07 0.00 0.42 0.00 0.00 52.86 54.77 3kru s ASN 259 Cb -0.00 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.22 3kru s ASN 259 CO 0.12 -1.16 0.07 -0.76 -3.72 0.00 0.00 177.10 171.65 3kru s LEU 260 N 4.70 3.89 0.17 3.21 1.43 -1.26 -4.96 118.68 125.85 3kru s LEU 260 Ca 0.61 0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 53.60 3kru s LEU 260 Cb -0.18 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.12 3kru s LEU 260 CO 0.26 0.21 0.80 -0.72 0.23 0.00 0.00 176.35 177.13 3kru s TYR 261 N 0.15 -0.27 0.20 0.29 -0.85 -1.26 -5.07 117.35 110.53 3kru s TYR 261 Ca 0.05 -0.03 -0.32 0.00 -0.52 0.00 0.00 57.07 56.25 3kru s TYR 261 Cb -0.12 0.63 -0.12 0.00 0.38 0.00 0.00 41.96 42.73 3kru s TYR 261 CO 0.00 -0.91 1.69 -2.14 -1.52 0.00 0.00 175.55 172.68 3kru s PRO 262 N -3.55 4.14 -0.50 -3.49 0.02 -1.26 -2.09 135.00 128.27 3kru s PRO 262 Ca 0.08 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3kru s PRO 262 Cb -0.03 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3kru s PRO 262 CO -0.01 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 3kru n GLY 263 N 3.94 0.61 0.14 0.52 0.00 -0.83 -4.94 105.19 104.63 3kru n GLY 263 Ca 0.16 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.49 3kru n GLY 263 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kru n TYR 264 N -3.16 0.76 0.16 1.61 0.18 -0.89 -1.44 117.16 114.38 3kru n TYR 264 Ca -0.05 0.35 0.06 0.00 1.88 0.00 0.00 57.90 60.14 3kru n TYR 264 Cb 0.27 -1.06 0.11 0.00 -0.38 0.00 0.00 39.34 38.28 3kru n TYR 264 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3kru n GLN 265 N -2.24 1.80 -0.05 -3.48 6.02 -1.26 -4.68 117.38 113.49 3kru n GLN 265 Ca 0.00 -1.69 -0.08 0.00 -0.01 0.00 0.00 57.00 55.22 3kru n GLN 265 Cb 0.13 -1.27 0.08 0.00 1.02 0.00 0.00 30.24 30.19 3kru n GLN 265 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3kru h VAL 266 N 2.38 1.29 -0.37 5.09 2.07 -1.51 -2.73 116.25 122.46 3kru h VAL 266 Ca 0.00 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 3kru h VAL 266 Cb 0.64 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3kru h VAL 266 CO 0.00 0.48 0.16 0.11 0.02 0.00 0.00 177.57 178.34 3kru h LYS 267 N 0.58 0.52 -0.62 1.57 1.57 -1.84 -0.74 116.57 117.62 3kru h LYS 267 Ca 0.06 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3kru h LYS 267 Cb 0.87 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 3kru h LYS 267 CO 0.08 0.43 0.16 1.88 -0.57 0.00 0.00 179.45 181.42 3kru h TYR 268 N 0.52 1.03 -0.58 -1.35 0.05 -1.82 -0.10 116.97 114.71 3kru h TYR 268 Ca 0.13 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 3kru h TYR 268 Cb 0.09 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 3kru h TYR 268 CO 0.00 0.86 0.09 0.00 -1.05 0.00 0.00 178.16 178.06 3kru h ALA 269 N 1.05 0.77 -0.36 3.88 0.00 -1.09 -1.40 119.26 122.11 3kru h ALA 269 Ca 0.19 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3kru h ALA 269 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kru h ALA 269 CO 0.00 0.53 -0.35 1.49 0.00 0.00 0.00 179.25 180.91 3kru h GLU 270 N 0.86 0.87 -0.35 0.00 4.81 -0.91 -1.67 114.58 118.19 3kru h GLU 270 Ca 0.18 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 3kru h GLU 270 Cb 0.43 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3kru h GLU 270 CO 0.01 1.10 0.11 1.15 -0.73 0.00 0.00 179.01 180.66 3kru h THR 271 N 0.67 1.21 -0.47 0.32 2.02 -0.83 -0.63 112.91 115.20 3kru h THR 271 Ca 0.06 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3kru h THR 271 Cb 0.94 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 3kru h THR 271 CO 0.09 0.23 0.26 0.40 0.37 0.00 0.00 175.52 176.87 3kru h ILE 272 N 0.42 1.17 -0.52 3.11 2.04 -1.27 -0.05 117.51 122.41 3kru h ILE 272 Ca 0.11 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3kru h ILE 272 Cb 0.25 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3kru h ILE 272 CO -0.00 0.18 0.31 0.50 0.00 0.00 0.00 178.15 179.13 3kru h LYS 273 N 0.62 0.59 -0.00 2.37 3.64 -0.96 -0.40 116.57 122.43 3kru h LYS 273 Ca 0.17 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3kru h LYS 273 Cb 0.06 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3kru h LYS 273 CO -0.03 0.39 -0.06 0.87 -2.27 0.00 0.00 179.45 178.35 3kru h LYS 274 N 0.61 0.04 -0.10 1.90 1.57 -1.03 -1.09 116.57 118.48 3kru h LYS 274 Ca 0.21 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 3kru h LYS 274 Cb 0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3kru h LYS 274 CO -0.10 0.81 -0.60 0.00 -0.57 0.00 0.00 179.45 178.98 3kru h ARG 275 N -0.70 0.33 0.00 3.15 3.08 -1.01 -3.28 114.38 115.95 3kru h ARG 275 Ca -0.01 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3kru h ARG 275 Cb 0.83 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3kru h ARG 275 CO 0.01 0.84 -1.19 0.00 -1.07 0.00 0.00 179.97 178.56 3kru n ASN 277 N -1.65 -3.13 -4.05 0.00 5.15 -0.42 -4.98 115.26 106.18 3kru n ASN 277 Ca 0.02 -0.80 -0.13 0.00 -0.60 0.00 0.00 54.58 53.08 3kru n ASN 277 Cb 0.38 -4.36 -0.12 0.00 -0.53 0.00 0.00 39.78 35.15 3kru n ASN 277 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3kru s ILE 278 N -3.53 0.51 0.50 -1.44 2.07 -1.18 -5.07 121.20 113.07 3kru s ILE 278 Ca 0.18 -1.01 -0.23 0.00 -1.41 0.00 0.00 60.65 58.18 3kru s ILE 278 Cb -0.04 -0.57 -0.06 0.00 0.13 0.00 0.00 42.46 41.91 3kru s ILE 278 CO 0.79 -0.35 1.26 -0.54 -1.91 0.00 0.00 174.94 174.19 3kru s LYS 279 N -1.47 3.48 0.09 3.50 1.02 -1.26 -4.31 119.74 120.79 3kru s LYS 279 Ca -0.09 2.01 0.02 0.00 0.02 0.00 0.00 55.97 57.92 3kru s LYS 279 Cb -0.09 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3kru s LYS 279 CO 0.00 -0.85 -0.06 0.95 -0.92 0.00 0.00 175.35 174.47 3kru s THR 280 N -1.42 0.65 0.01 2.17 -4.23 -1.26 -0.95 115.64 110.61 3kru s THR 280 Ca 0.67 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 3kru s THR 280 Cb -0.35 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 3kru s THR 280 CO 0.41 -0.87 -0.18 -0.94 -0.54 0.00 0.00 174.62 172.50 3kru s SER 281 N -2.98 3.75 -0.03 3.99 1.04 -0.24 -0.57 113.70 118.66 3kru s SER 281 Ca 0.11 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 3kru s SER 281 Cb 0.05 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 3kru s SER 281 CO -0.05 0.29 0.05 0.00 0.98 0.00 0.00 173.24 174.51 3kru s ALA 282 N -0.83 3.47 -0.03 5.32 0.00 -0.71 -2.08 121.76 126.89 3kru s ALA 282 Ca 0.13 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 3kru s ALA 282 Cb -0.10 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.52 3kru s ALA 282 CO 0.03 0.65 0.37 0.54 0.00 0.00 0.00 175.76 177.36 3kru s VAL 283 N -1.10 0.04 0.00 0.00 0.11 -1.26 -0.29 120.40 117.91 3kru s VAL 283 Ca 0.20 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 3kru s VAL 283 Cb -0.12 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 3kru s VAL 283 CO 0.10 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 3kru n GLY 284 N 1.31 2.27 2.54 6.54 0.00 -1.26 -4.31 105.19 112.27 3kru n GLY 284 Ca -0.21 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 3kru n GLY 284 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kru n LEU 285 N 0.00 -2.12 -4.65 0.99 4.77 -1.26 -1.97 117.00 112.76 3kru n LEU 285 Ca 0.00 -0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.51 3kru n LEU 285 Cb 0.00 -2.93 -0.07 0.00 -2.33 0.00 0.00 43.42 38.09 3kru n LEU 285 CO 0.00 -0.11 0.21 -0.63 -1.33 0.00 0.00 177.39 175.53 3kru s ILE 286 N -3.07 5.12 0.00 -0.08 1.01 -1.26 -4.02 121.20 118.89 3kru s ILE 286 Ca 0.07 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3kru s ILE 286 Cb -0.03 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3kru s ILE 286 CO 0.09 0.17 0.00 0.35 0.00 0.00 0.00 174.94 175.55 3kru n THR 287 N 4.68 0.00 -3.94 2.92 -2.24 -1.26 -4.74 114.28 109.70 3kru n THR 287 Ca -0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 3kru n THR 287 Cb 0.50 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 3kru n THR 287 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kru s THR 288 N -1.00 5.27 0.38 4.28 -4.23 -1.26 -4.99 115.64 114.08 3kru s THR 288 Ca 0.00 -0.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 3kru s THR 288 Cb 0.00 -3.51 0.30 0.00 1.34 0.00 0.00 72.50 70.63 3kru s THR 288 CO 0.00 0.23 1.95 -0.61 -0.54 0.00 0.00 174.62 175.66 3kru h GLN 289 N 3.49 0.66 -0.06 3.99 4.15 -1.98 -2.20 115.11 123.16 3kru h GLN 289 Ca -0.47 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 3kru h GLN 289 Cb 1.17 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 3kru h GLN 289 CO 0.71 0.44 0.02 1.49 -1.93 0.00 0.00 178.83 179.56 3kru h GLU 290 N 0.68 0.09 -0.36 1.69 4.81 -1.99 0.58 114.58 120.08 3kru h GLU 290 Ca 0.32 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 3kru h GLU 290 Cb 0.36 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3kru h GLU 290 CO -0.11 0.24 -0.37 1.25 -0.73 0.00 0.00 179.01 179.29 3kru h LEU 291 N -0.08 0.89 -0.59 1.64 5.85 -1.95 -1.26 115.31 119.82 3kru h LEU 291 Ca 0.02 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.37 3kru h LEU 291 Cb 0.18 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3kru h LEU 291 CO -0.00 1.16 0.35 0.00 -0.34 0.00 0.00 178.44 179.61 3kru h ALA 292 N 0.88 0.76 -0.68 1.25 0.00 -1.16 -1.14 119.26 119.17 3kru h ALA 292 Ca 0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3kru h ALA 292 Cb 0.94 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3kru h ALA 292 CO 0.09 0.07 0.16 0.93 0.00 0.00 0.00 179.25 180.50 3kru h GLU 293 N 0.69 1.10 -0.54 0.00 5.08 -0.70 -2.51 114.58 117.69 3kru h GLU 293 Ca 0.24 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3kru h GLU 293 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3kru h GLU 293 CO -0.11 0.97 0.24 1.49 -1.00 0.00 0.00 179.01 180.61 3kru h GLU 294 N 1.04 0.79 -0.14 2.33 4.22 -0.73 -0.19 114.58 121.90 3kru h GLU 294 Ca 0.21 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.53 3kru h GLU 294 Cb 0.38 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3kru h GLU 294 CO 0.00 0.67 0.09 0.82 -2.18 0.00 0.00 179.01 178.41 3kru h ILE 295 N 0.73 1.03 -0.21 2.32 2.04 -1.07 -0.68 117.51 121.67 3kru h ILE 295 Ca 0.18 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.88 3kru h ILE 295 Cb 0.15 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3kru h ILE 295 CO -0.02 0.03 -0.26 -0.07 0.00 0.00 0.00 178.15 177.84 3kru h LEU 296 N 0.18 0.59 -0.60 1.44 3.38 -1.33 -0.37 115.31 118.61 3kru h LEU 296 Ca 0.05 -0.50 -0.15 0.00 0.09 0.00 0.00 57.88 57.37 3kru h LEU 296 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kru h LEU 296 CO -0.02 0.97 -0.61 0.28 0.09 0.00 0.00 178.44 179.16 3kru h SER 297 N 0.22 0.37 -0.07 -0.43 0.02 -0.95 -1.95 113.55 110.77 3kru h SER 297 Ca 0.03 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3kru h SER 297 Cb 0.82 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3kru h SER 297 CO 0.06 0.89 0.00 0.59 -1.14 0.00 0.00 176.83 177.23 3kru n ASN 298 N -3.89 0.45 -3.48 3.07 5.03 -0.27 -4.91 115.26 111.27 3kru n ASN 298 Ca -0.03 -1.75 -0.24 0.00 0.87 0.00 0.00 54.58 53.43 3kru n ASN 298 Cb 0.63 -0.04 0.06 0.00 -1.02 0.00 0.00 39.78 39.40 3kru n ASN 298 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kru n GLU 299 N -0.37 -6.91 0.11 3.52 1.02 -0.73 -4.89 120.64 112.39 3kru n GLU 299 Ca 0.09 0.82 0.03 0.00 -0.02 0.00 0.00 57.16 58.08 3kru n GLU 299 Cb 0.10 -5.81 0.00 0.00 -0.02 0.00 0.00 31.44 25.71 3kru n GLU 299 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kru h ARG 300 N -2.29 0.00 -3.05 3.49 3.08 -1.28 -3.48 114.38 110.85 3kru h ARG 300 Ca -0.56 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.51 3kru h ARG 300 Cb 1.37 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.33 3kru h ARG 300 CO 0.57 0.38 0.19 0.00 -1.07 0.00 0.00 179.97 180.04 3kru s ALA 301 N -2.99 -1.32 -0.14 0.04 0.00 -1.23 -2.58 121.76 113.55 3kru s ALA 301 Ca 0.02 0.01 0.17 0.00 0.00 0.00 0.00 51.96 52.16 3kru s ALA 301 Cb 0.08 0.87 -0.24 0.00 0.00 0.00 0.00 23.12 23.83 3kru s ALA 301 CO 0.76 -0.90 0.36 -0.25 0.00 0.00 0.00 175.76 175.73 3kru n ASP 302 N -0.41 0.32 -4.24 0.00 8.00 0.27 -4.46 116.55 116.03 3kru n ASP 302 Ca -0.10 0.15 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 3kru n ASP 302 Cb 0.62 0.74 -0.12 0.00 -0.02 0.00 0.00 41.12 42.35 3kru n ASP 302 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kru s LEU 303 N -5.56 2.36 -0.18 0.64 1.43 -1.04 -4.88 118.68 111.44 3kru s LEU 303 Ca -0.08 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.25 3kru s LEU 303 Cb 0.08 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 3kru s LEU 303 CO 0.83 -0.08 -0.09 -0.69 0.23 0.00 0.00 176.35 176.55 3kru s VAL 304 N -1.77 3.11 -0.16 -1.59 1.01 0.25 -1.74 120.40 119.50 3kru s VAL 304 Ca 0.07 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 3kru s VAL 304 Cb -0.07 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3kru s VAL 304 CO 0.03 0.48 0.19 0.00 0.00 0.00 0.00 175.10 175.80 3kru s ALA 305 N 1.03 3.70 -0.12 5.51 0.00 0.60 -1.19 121.76 131.30 3kru s ALA 305 Ca -0.00 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3kru s ALA 305 Cb -0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 3kru s ALA 305 CO -0.01 0.26 -0.16 -0.51 0.00 0.00 0.00 175.76 175.34 3kru s LEU 306 N 0.01 2.57 0.00 0.00 1.43 -0.22 -4.44 118.68 118.03 3kru s LEU 306 Ca 0.13 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3kru s LEU 306 Cb -0.12 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.54 3kru s LEU 306 CO 0.02 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3kru n GLY 307 N 3.47 -0.01 0.33 -3.19 0.00 -1.26 -1.23 105.19 103.30 3kru n GLY 307 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 3kru n GLY 307 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kru h ARG 308 N 0.00 0.67 -0.74 1.61 3.08 -1.96 -0.66 114.38 116.38 3kru h ARG 308 Ca 0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3kru h ARG 308 Cb 0.00 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 3kru h ARG 308 CO 0.00 0.45 0.49 1.49 -1.07 0.00 0.00 179.97 181.33 3kru h GLU 309 N 0.69 0.97 0.00 0.04 4.57 -1.88 -1.34 114.58 117.63 3kru h GLU 309 Ca 0.23 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3kru h GLU 309 Cb 0.07 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3kru h GLU 309 CO -0.06 0.64 0.00 -0.07 -1.18 0.00 0.00 179.01 178.34 3kru h LEU 310 N 1.00 0.00 -0.02 1.64 3.38 -1.33 0.32 115.31 120.30 3kru h LEU 310 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3kru h LEU 310 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kru h LEU 310 CO -0.06 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.36 3kru h LEU 311 N 0.00 0.08 0.00 1.67 3.38 -1.01 -3.22 115.31 116.21 3kru h LEU 311 Ca 0.00 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.33 3kru h LEU 311 Cb 0.68 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3kru h LEU 311 CO 0.00 0.62 -0.41 0.08 0.09 0.00 0.00 178.44 178.82 3kru h ARG 312 N -0.47 0.00 -1.87 1.13 0.11 -1.34 -3.40 114.38 108.54 3kru h ARG 312 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 3kru h ARG 312 Cb 0.61 0.00 -0.37 0.00 1.11 0.00 0.00 29.97 31.32 3kru h ARG 312 CO 0.01 0.38 -1.06 -1.71 0.10 0.00 0.00 179.97 177.69 3kru n ASN 313 N -3.18 -0.07 0.26 0.08 5.15 0.09 -5.00 115.26 112.60 3kru n ASN 313 Ca 0.02 -2.72 0.12 0.00 -0.60 0.00 0.00 54.58 51.40 3kru n ASN 313 Cb 0.69 -0.46 0.73 0.00 -0.53 0.00 0.00 39.78 40.21 3kru n ASN 313 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3kru h PRO 314 N 4.06 0.00 -0.72 1.20 0.13 -1.76 -2.26 132.00 132.66 3kru h PRO 314 Ca 0.06 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.04 3kru h PRO 314 Cb 0.89 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.93 3kru h PRO 314 CO 0.45 0.09 0.19 0.66 -0.23 0.00 0.00 178.00 179.16 3kru n TYR 315 N -3.86 2.30 -0.32 1.56 4.02 -1.26 -4.49 117.16 115.09 3kru n TYR 315 Ca -0.02 -1.02 0.10 0.00 -0.01 0.00 0.00 57.90 56.94 3kru n TYR 315 Cb 0.19 -0.63 0.21 0.00 -0.02 0.00 0.00 39.34 39.10 3kru n TYR 315 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 3kru h TRP 316 N 3.00 -0.19 -0.52 -0.72 7.01 -1.64 -0.89 115.95 121.99 3kru h TRP 316 Ca 0.18 0.07 -0.09 0.00 2.11 0.00 0.00 58.89 61.16 3kru h TRP 316 Cb 2.19 0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 29.47 3kru h TRP 316 CO 1.20 -0.39 -0.03 0.28 -2.79 0.00 0.00 178.44 176.71 3kru h VAL 317 N 0.03 1.27 -0.93 2.65 2.07 -1.83 -2.62 116.25 116.88 3kru h VAL 317 Ca 0.52 -1.15 0.11 0.00 0.82 0.00 0.00 66.70 67.00 3kru h VAL 317 Cb 0.96 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3kru h VAL 317 CO -0.89 0.40 0.60 -0.07 0.02 0.00 0.00 177.57 177.63 3kru h LEU 318 N 0.80 0.82 -0.58 2.57 3.38 -0.96 -1.03 115.31 120.31 3kru h LEU 318 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kru h LEU 318 Cb 0.57 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3kru h LEU 318 CO 0.03 0.46 0.00 1.41 0.09 0.00 0.00 178.44 180.43 3kru n HIS 319 N -4.56 0.62 0.93 1.13 8.25 -0.99 -1.93 115.22 118.66 3kru n HIS 319 Ca 0.17 0.25 0.12 0.00 -0.26 0.00 0.00 57.72 58.00 3kru n HIS 319 Cb 0.35 -0.90 0.22 0.00 1.12 0.00 0.00 29.99 30.78 3kru n HIS 319 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kru n THR 320 N -2.07 0.05 -2.50 1.59 -2.24 -0.39 -4.94 114.28 103.77 3kru n THR 320 Ca 0.02 -0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 3kru n THR 320 Cb 0.20 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3kru n THR 320 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kru s TYR 321 N -3.03 3.10 -1.90 4.78 2.02 -0.81 -4.93 117.35 116.57 3kru s TYR 321 Ca 0.10 1.60 0.16 0.00 -0.37 0.00 0.00 57.07 58.57 3kru s TYR 321 Cb 0.17 -3.14 0.09 0.00 -0.40 0.00 0.00 41.96 38.68 3kru s TYR 321 CO 0.71 -0.84 0.98 0.25 -1.57 0.00 0.00 175.55 175.08 3kru n THR 322 N -0.51 0.00 -3.97 -0.71 -2.24 -1.26 -4.96 114.28 100.64 3kru n THR 322 Ca 0.07 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 3kru n THR 322 Cb 0.51 1.30 -0.14 0.00 -2.10 0.00 0.00 70.33 69.90 3kru n THR 322 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kru s SER 323 N -1.52 0.22 0.55 3.42 0.15 -1.26 -5.04 113.70 110.23 3kru s SER 323 Ca 0.18 -0.08 0.23 0.00 0.70 0.00 0.00 55.95 56.98 3kru s SER 323 Cb 0.14 -0.01 1.53 0.00 -1.71 0.00 0.00 66.02 65.97 3kru s SER 323 CO 0.26 -0.01 2.19 0.07 1.20 0.00 0.00 173.24 176.95 3kru h LYS 324 N 5.95 0.00 0.00 5.44 2.10 -1.93 -1.95 116.57 126.18 3kru h LYS 324 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3kru h LYS 324 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3kru h LYS 324 CO 0.50 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.34 3kru n GLU 325 N -4.19 0.11 0.12 0.07 4.71 -1.26 -1.60 120.64 118.60 3kru n GLU 325 Ca -0.02 0.42 0.12 0.00 -0.01 0.00 0.00 57.16 57.67 3kru n GLU 325 Cb 0.12 -1.74 0.20 0.00 -1.01 0.00 0.00 31.44 29.02 3kru n GLU 325 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3kru h ASP 326 N 0.00 0.00 -4.29 1.62 3.32 -1.79 -3.47 116.42 111.82 3kru h ASP 326 Ca 0.00 -0.06 -0.49 0.00 0.02 0.00 0.00 57.03 56.50 3kru h ASP 326 Cb 0.23 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.82 3kru h ASP 326 CO 0.00 0.03 0.40 0.26 -1.72 0.00 0.00 179.24 178.21 3kru s TRP 327 N -3.20 3.53 0.23 4.55 0.52 -0.63 -5.01 118.94 118.94 3kru s TRP 327 Ca 0.06 1.37 -0.31 0.00 0.02 0.00 0.00 56.10 57.24 3kru s TRP 327 Cb 0.10 -2.76 -0.14 0.00 -1.15 0.00 0.00 33.47 29.52 3kru s TRP 327 CO 0.69 -0.57 1.30 -2.30 0.02 0.00 0.00 176.95 176.09 3kru n PRO 328 N -2.24 1.74 -0.35 4.98 -0.02 -1.26 -4.79 135.00 133.07 3kru n PRO 328 Ca 0.06 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 3kru n PRO 328 Cb 0.54 -2.21 0.32 0.00 -0.02 0.00 0.00 33.50 32.14 3kru n PRO 328 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kru h LYS 329 N 3.71 0.76 0.00 -0.52 1.63 -1.93 0.47 116.57 120.68 3kru h LYS 329 Ca -0.44 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.30 3kru h LYS 329 Cb 1.30 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 3kru h LYS 329 CO 0.72 0.50 -0.04 1.96 -3.45 0.00 0.00 179.45 179.14 3kru h GLN 330 N 0.78 0.00 -0.13 1.90 7.50 -2.00 -2.70 115.11 120.45 3kru h GLN 330 Ca 0.56 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.71 3kru h GLN 330 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.39 3kru h GLN 330 CO -0.35 0.04 0.00 0.66 -1.50 0.00 0.00 178.83 177.68 3kru n TYR 331 N -3.68 0.16 -0.32 2.96 4.01 0.10 -4.67 117.16 115.72 3kru n TYR 331 Ca -0.02 -0.16 0.17 0.00 -0.16 0.00 0.00 57.90 57.72 3kru n TYR 331 Cb 0.14 -0.01 0.37 0.00 -0.31 0.00 0.00 39.34 39.54 3kru n TYR 331 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3kru h GLU 332 N 2.29 0.40 0.00 -0.72 4.81 -1.07 0.33 114.58 120.62 3kru h GLU 332 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kru h GLU 332 Cb 0.58 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3kru h GLU 332 CO 0.00 0.27 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 3kru h ARG 333 N 0.42 0.00 -0.07 1.92 2.47 -1.83 -1.87 114.38 115.41 3kru h ARG 333 Ca 0.63 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.35 3kru h ARG 333 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 3kru h ARG 333 CO -0.55 0.00 0.00 0.00 0.56 0.00 0.00 179.97 179.98 3kru n ALA 334 N -1.87 2.50 -1.86 0.04 0.00 0.11 -4.93 120.51 114.49 3kru n ALA 334 Ca -0.00 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 3kru n ALA 334 Cb 0.13 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3kru n ALA 334 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3kru s PHE 335 N -1.93 2.97 -0.07 0.00 5.36 -0.71 -5.17 117.98 118.43 3kru s PHE 335 Ca 0.33 0.83 0.01 0.00 -0.96 0.00 0.00 56.93 57.14 3kru s PHE 335 Cb 0.20 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 38.97 3kru s PHE 335 CO 0.31 -3.14 0.52 0.36 -1.46 0.00 0.00 175.22 171.81