#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klg s SER 2 N 0.00 6.31 0.09 4.31 1.04 -1.26 -5.00 113.70 119.19 1klg s SER 2 Ca 0.00 1.03 -0.31 0.00 0.48 0.00 0.00 55.95 57.16 1klg s SER 2 Cb 0.00 -2.29 -0.07 0.00 0.10 0.00 0.00 66.02 63.75 1klg s SER 2 CO 0.00 -0.58 1.41 -1.58 0.98 0.00 0.00 173.24 173.47 1klg s GLN 3 N -4.63 4.30 0.17 4.02 0.74 -0.75 -4.94 119.66 118.58 1klg s GLN 3 Ca 0.49 2.07 -0.32 0.00 0.05 0.00 0.00 55.36 57.66 1klg s GLN 3 Cb -0.10 -3.34 -0.11 0.00 1.10 0.00 0.00 33.01 30.55 1klg s GLN 3 CO 0.43 -0.49 1.77 -2.14 -0.55 0.00 0.00 175.29 174.32 1klg s PRO 4 N 1.48 4.13 0.67 1.67 0.02 -1.26 -4.66 135.00 137.05 1klg s PRO 4 Ca 0.65 2.61 -0.17 0.00 0.02 0.00 0.00 61.00 64.11 1klg s PRO 4 Cb -0.36 -3.29 -0.01 0.00 0.02 0.00 0.00 34.50 30.86 1klg s PRO 4 CO 0.30 -0.79 1.02 -0.25 -0.33 0.00 0.00 177.00 176.94 1klg n ASP 5 N 4.69 0.82 -4.77 2.53 10.43 -1.26 -4.93 116.55 124.05 1klg n ASP 5 Ca 0.17 0.74 -0.38 0.00 2.57 0.00 0.00 54.79 57.89 1klg n ASP 5 Cb 0.36 -1.42 -0.04 0.00 1.84 0.00 0.00 41.12 41.85 1klg n ASP 5 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1klg s PRO 6 N -3.15 4.36 0.17 -0.24 0.04 -1.26 -5.07 135.00 129.85 1klg s PRO 6 Ca 0.76 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 1klg s PRO 6 Cb -0.37 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1klg s PRO 6 CO 0.47 0.02 0.35 -1.64 0.04 0.00 0.00 177.00 176.24 1klg s MET 7 N -2.14 3.51 0.34 4.56 -1.94 -1.26 -4.93 119.30 117.43 1klg s MET 7 Ca 0.53 -0.37 0.12 0.00 -1.71 0.00 0.00 55.69 54.26 1klg s MET 7 Cb -0.24 -2.88 1.04 0.00 2.01 0.00 0.00 34.83 34.76 1klg s MET 7 CO 0.30 0.45 1.60 -1.35 -0.01 0.00 0.00 175.02 176.01 1klg h PRO 8 N 2.25 0.07 0.00 2.03 0.11 -1.97 1.80 132.00 136.28 1klg h PRO 8 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1klg h PRO 8 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1klg h PRO 8 CO 0.70 0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 1klg n ASP 9 N -5.30 0.54 0.15 -2.05 9.92 -1.26 -2.15 116.55 116.39 1klg n ASP 9 Ca 0.30 0.67 0.12 0.00 -0.53 0.00 0.00 54.79 55.35 1klg n ASP 9 Cb 1.00 -0.77 0.13 0.00 -0.64 0.00 0.00 41.12 40.85 1klg n ASP 9 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1klg h ASP 10 N 0.00 0.00 -2.99 -2.24 3.45 0.24 -3.47 116.42 111.41 1klg h ASP 10 Ca 0.00 -0.03 -0.63 0.00 0.43 0.00 0.00 57.03 56.80 1klg h ASP 10 Cb 0.24 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.95 1klg h ASP 10 CO 0.00 0.01 -0.53 -0.76 -1.57 0.00 0.00 179.24 176.39 1klg s LEU 11 N -5.47 4.18 0.23 1.55 1.43 -0.92 -4.92 118.68 114.76 1klg s LEU 11 Ca 0.05 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1klg s LEU 11 Cb 0.08 -2.77 -0.09 0.00 0.03 0.00 0.00 46.19 43.45 1klg s LEU 11 CO 0.71 0.18 1.21 -1.00 0.23 0.00 0.00 176.35 177.69 1klg s HIS 12 N -1.45 3.37 -0.21 0.29 3.76 -1.26 -5.02 115.29 114.77 1klg s HIS 12 Ca 0.32 1.44 -0.09 0.00 -0.15 0.00 0.00 55.06 56.58 1klg s HIS 12 Cb -0.13 -3.47 -0.04 0.00 1.11 0.00 0.00 32.58 30.05 1klg s HIS 12 CO 0.25 -1.29 0.11 0.15 -0.85 0.00 0.00 174.74 173.11 1klg s LYS 13 N -0.68 4.03 0.40 1.40 3.01 -1.26 -4.43 119.74 122.21 1klg s LYS 13 Ca 0.51 -0.30 0.09 0.00 -1.01 0.00 0.00 55.97 55.27 1klg s LYS 13 Cb -0.34 -3.37 0.85 0.00 -1.01 0.00 0.00 37.83 33.95 1klg s LYS 13 CO 0.40 0.18 1.97 0.66 0.51 0.00 0.00 175.35 179.07 1klg h SER 14 N 7.06 0.26 0.21 2.83 4.64 -1.19 0.04 113.55 127.40 1klg h SER 14 Ca -0.38 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1klg h SER 14 Cb 1.16 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1klg h SER 14 CO 0.69 0.34 0.00 0.77 -0.87 0.00 0.00 176.83 177.76 1klg h SER 15 N 0.28 0.00 -0.38 4.97 4.64 -1.89 0.21 113.55 121.38 1klg h SER 15 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1klg h SER 15 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1klg h SER 15 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 1klg n GLU 16 N -2.43 2.51 -3.67 4.77 1.02 -0.00 -4.85 120.64 117.99 1klg n GLU 16 Ca -0.01 -2.29 -0.37 0.00 -0.02 0.00 0.00 57.16 54.47 1klg n GLU 16 Cb 0.09 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 29.88 1klg n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1klg s PHE 17 N -1.51 3.16 -0.12 -0.32 5.36 0.74 -1.93 117.98 123.36 1klg s PHE 17 Ca 0.38 -0.13 0.21 0.00 -0.96 0.00 0.00 56.93 56.44 1klg s PHE 17 Cb 0.23 -2.31 -0.20 0.00 -0.34 0.00 0.00 43.02 40.40 1klg s PHE 17 CO 0.32 -0.25 0.67 2.41 -1.46 0.00 0.00 175.22 176.91 1klg n THR 18 N 4.97 0.46 0.00 0.12 -1.04 0.24 -4.95 114.28 114.08 1klg n THR 18 Ca -0.15 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1klg n THR 18 Cb 0.52 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1klg n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1klg n GLY 19 N 1.29 -2.10 3.36 3.41 0.00 -1.19 -4.90 105.19 105.06 1klg n GLY 19 Ca -0.06 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 1klg n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1klg s THR 20 N 0.00 4.47 0.63 2.61 2.01 -1.26 -4.77 115.64 119.33 1klg s THR 20 Ca 0.00 -0.89 0.33 0.00 0.31 0.00 0.00 61.69 61.44 1klg s THR 20 Cb 0.00 -3.49 0.36 0.00 0.01 0.00 0.00 72.50 69.38 1klg s THR 20 CO 0.00 -0.22 2.10 -0.03 -0.69 0.00 0.00 174.62 175.78 1klg h MET 21 N 8.40 0.00 -0.00 4.92 4.05 -1.72 -0.78 114.93 129.81 1klg h MET 21 Ca -0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1klg h MET 21 Cb 1.10 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1klg h MET 21 CO 0.66 0.00 0.00 0.78 0.23 0.00 0.00 176.91 178.58 1klg h GLY 22 N 0.00 0.00 2.00 1.39 0.00 0.51 0.10 103.07 107.07 1klg h GLY 22 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1klg h GLY 22 CO -0.00 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.97 1klg h ASN 23 N 0.00 0.00 0.10 0.19 2.35 -1.40 0.81 115.58 117.62 1klg h ASN 23 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 1klg h ASN 23 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1klg h ASN 23 CO -0.00 0.00 -1.89 0.80 -1.65 0.00 0.00 177.43 174.69 1klg n MET 24 N -2.53 0.72 -0.23 0.81 0.00 0.22 -4.05 117.12 112.06 1klg n MET 24 Ca 0.02 0.32 -0.01 0.00 -0.00 0.00 0.00 57.70 58.03 1klg n MET 24 Cb 0.30 -1.71 0.11 0.00 0.00 0.00 0.00 33.22 31.93 1klg n MET 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1klg h LYS 25 N -0.15 0.60 -1.06 2.12 3.64 -0.85 -2.00 116.57 118.87 1klg h LYS 25 Ca -0.42 -0.04 0.29 0.00 -1.27 0.00 0.00 60.65 59.21 1klg h LYS 25 Cb 1.89 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 33.46 1klg h LYS 25 CO 0.02 0.40 0.66 -0.92 -2.27 0.00 0.00 179.45 177.33 1klg h TYR 26 N 0.62 0.78 0.00 1.91 3.20 -0.98 0.64 116.97 123.14 1klg h TYR 26 Ca 0.31 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1klg h TYR 26 Cb 0.25 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1klg h TYR 26 CO -0.10 0.00 0.00 -0.07 -1.64 0.00 0.00 178.16 176.35 1klg h LEU 27 N 0.41 0.00 -1.02 2.82 3.38 -1.51 -3.31 115.31 116.07 1klg h LEU 27 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.62 1klg h LEU 27 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1klg h LEU 27 CO -0.40 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 176.91 1klg n TYR 28 N -3.04 0.00 -3.04 1.13 4.02 0.02 -4.67 117.16 111.58 1klg n TYR 28 Ca 0.02 -0.05 -0.45 0.00 -0.01 0.00 0.00 57.90 57.41 1klg n TYR 28 Cb 0.36 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.65 1klg n TYR 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1klg s ASP 29 N -0.09 6.53 -1.51 7.72 3.68 -0.09 -3.76 116.67 129.14 1klg s ASP 29 Ca 0.00 -1.98 -0.09 0.00 2.13 0.00 0.00 52.55 52.61 1klg s ASP 29 Cb 0.00 -2.34 0.07 0.00 -1.45 0.00 0.00 42.92 39.20 1klg s ASP 29 CO 0.00 -1.00 0.73 -0.67 0.13 0.00 0.00 175.17 174.36 1klg n ASP 30 N 6.06 -2.61 -3.94 -0.34 2.03 -1.26 -4.94 116.55 111.55 1klg n ASP 30 Ca 0.13 -0.91 -0.28 0.00 0.52 0.00 0.00 54.79 54.25 1klg n ASP 30 Cb 0.47 -3.36 -0.17 0.00 -0.72 0.00 0.00 41.12 37.34 1klg n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1klg s HIS 31 N -3.54 1.71 -0.30 -0.67 2.46 -1.26 -5.12 115.29 108.58 1klg s HIS 31 Ca 0.41 -0.92 -0.35 0.00 0.47 0.00 0.00 55.06 54.66 1klg s HIS 31 Cb -0.21 -1.35 0.17 0.00 -0.13 0.00 0.00 32.58 31.06 1klg s HIS 31 CO 0.87 -0.57 1.39 1.52 -2.47 0.00 0.00 174.74 175.48 1klg s TYR 32 N 1.64 -0.01 -0.18 3.88 -0.85 -1.26 -4.64 117.35 115.92 1klg s TYR 32 Ca 0.04 0.01 -0.08 0.00 -0.52 0.00 0.00 57.07 56.53 1klg s TYR 32 Cb -0.13 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 1klg s TYR 32 CO -0.09 -0.01 0.07 0.08 -1.52 0.00 0.00 175.55 174.08 1klg s VAL 33 N -1.67 4.83 -0.02 -3.49 1.01 -0.19 -4.93 120.40 115.94 1klg s VAL 33 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1klg s VAL 33 Cb -0.01 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1klg s VAL 33 CO -0.04 0.46 0.01 -0.55 0.00 0.00 0.00 175.10 174.98 1klg s SER 34 N 0.34 0.22 -0.06 3.32 0.15 -1.26 -2.54 113.70 113.87 1klg s SER 34 Ca 0.03 -0.00 -0.16 0.00 0.70 0.00 0.00 55.95 56.52 1klg s SER 34 Cb -0.12 -0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1klg s SER 34 CO -0.00 -0.08 0.38 0.00 1.20 0.00 0.00 173.24 174.74 1klg s ALA 35 N 0.78 -0.96 -0.03 5.45 0.00 -0.84 -4.98 121.76 121.18 1klg s ALA 35 Ca -0.07 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.63 1klg s ALA 35 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1klg s ALA 35 CO -0.02 -0.25 -0.19 0.99 0.00 0.00 0.00 175.76 176.29 1klg s THR 36 N -0.84 1.56 -0.83 0.00 2.01 -1.26 -1.14 115.64 115.13 1klg s THR 36 Ca -0.09 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1klg s THR 36 Cb -0.04 -1.31 -0.00 0.00 0.01 0.00 0.00 72.50 71.15 1klg s THR 36 CO 0.04 0.44 0.68 0.29 -0.69 0.00 0.00 174.62 175.38 1klg n LYS 37 N 2.83 -1.41 -4.26 4.92 5.02 -1.07 -4.99 118.16 119.20 1klg n LYS 37 Ca -0.16 1.06 -0.14 0.00 -2.02 0.00 0.00 58.31 57.04 1klg n LYS 37 Cb 0.53 -4.19 -0.10 0.00 -0.02 0.00 0.00 35.03 31.25 1klg n LYS 37 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1klg s VAL 38 N -3.07 0.89 -0.01 -0.18 -7.23 -0.73 -4.89 120.40 105.18 1klg s VAL 38 Ca 0.07 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1klg s VAL 38 Cb -0.02 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.84 1klg s VAL 38 CO 0.82 -0.54 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.27 1klg s LYS 39 N -3.85 0.48 0.45 4.82 2.20 -1.26 -0.60 119.74 121.98 1klg s LYS 39 Ca 0.22 -0.19 -0.23 0.00 -0.36 0.00 0.00 55.97 55.41 1klg s LYS 39 Cb 0.05 -0.47 -0.10 0.00 -1.51 0.00 0.00 37.83 35.80 1klg s LYS 39 CO 0.04 0.11 0.93 -1.13 -0.36 0.00 0.00 175.35 174.93 1klg n SER 40 N 3.02 0.86 0.00 1.43 3.41 -1.25 -4.71 113.62 116.37 1klg n SER 40 Ca -0.14 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1klg n SER 40 Cb 0.57 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1klg n SER 40 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1klg n VAL 41 N -0.75 0.00 -3.87 -3.33 0.24 0.35 -4.94 118.33 106.03 1klg n VAL 41 Ca 0.10 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.34 61.93 1klg n VAL 41 Cb 0.41 1.11 0.02 0.00 -1.47 0.00 0.00 33.84 33.90 1klg n VAL 41 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1klg n ASP 42 N -0.07 -1.61 -3.63 -1.34 4.64 -1.16 -4.95 116.55 108.44 1klg n ASP 42 Ca 0.00 -1.84 -0.04 0.00 -1.38 0.00 0.00 54.79 51.53 1klg n ASP 42 Cb 0.03 2.62 -0.06 0.00 -1.04 0.00 0.00 41.12 42.66 1klg n ASP 42 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1klg s SER 43 N -3.27 -0.70 -0.08 1.67 0.15 -1.26 -1.17 113.70 109.03 1klg s SER 43 Ca 0.21 1.10 -0.01 0.00 0.70 0.00 0.00 55.95 57.95 1klg s SER 43 Cb -0.03 1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1klg s SER 43 CO 0.05 -0.17 -0.03 0.15 1.20 0.00 0.00 173.24 174.44 1klg h PHE 44 N 6.60 0.00 -1.98 3.44 3.04 -1.94 -3.48 116.94 122.62 1klg h PHE 44 Ca -0.27 0.00 -0.55 0.00 3.98 0.00 0.00 57.97 61.13 1klg h PHE 44 Cb 1.20 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.62 1klg h PHE 44 CO 0.10 0.00 -0.57 -0.06 -2.02 0.00 0.00 178.31 175.76 1klg s PHE 45 N -1.51 2.71 0.53 0.41 2.99 -1.26 -5.01 117.98 116.84 1klg s PHE 45 Ca -0.02 -0.33 0.33 0.00 0.00 0.00 0.00 56.93 56.90 1klg s PHE 45 Cb 0.00 -1.50 1.49 0.00 0.00 0.00 0.00 43.02 43.01 1klg s PHE 45 CO 0.03 0.43 1.86 0.87 -0.00 0.00 0.00 175.22 178.41 1klg h LYS 46 N 1.65 0.02 -0.36 0.44 1.57 -1.99 -1.71 116.57 116.20 1klg h LYS 46 Ca -0.44 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1klg h LYS 46 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1klg h LYS 46 CO 0.63 0.02 0.00 -2.67 -0.57 0.00 0.00 179.45 176.85 1klg n TRP 47 N -4.26 0.47 -4.42 -1.35 2.14 -1.26 -4.55 117.44 104.21 1klg n TRP 47 Ca 0.21 -0.24 -0.21 0.00 2.07 0.00 0.00 57.50 59.33 1klg n TRP 47 Cb 1.05 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 31.45 1klg n TRP 47 CO 0.00 0.00 0.00 0.16 2.07 0.00 0.00 177.69 179.92 1klg s ASP 48 N -1.37 2.85 -0.00 -0.67 1.47 -0.65 -0.92 116.67 117.39 1klg s ASP 48 Ca 0.36 -1.14 0.03 0.00 1.18 0.00 0.00 52.55 52.98 1klg s ASP 48 Cb 0.20 -0.18 -0.01 0.00 -0.34 0.00 0.00 42.92 42.58 1klg s ASP 48 CO 0.28 -0.26 -0.11 -0.76 0.68 0.00 0.00 175.17 174.99 1klg s LEU 49 N -3.43 2.05 -0.11 2.11 1.43 -0.78 -4.43 118.68 115.51 1klg s LEU 49 Ca 0.28 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1klg s LEU 49 Cb 0.02 -0.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 1klg s LEU 49 CO 0.11 0.11 -0.07 -0.63 0.23 0.00 0.00 176.35 176.11 1klg s ILE 50 N -0.36 3.67 0.14 -0.59 1.01 -0.32 -0.81 121.20 123.94 1klg s ILE 50 Ca 0.03 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1klg s ILE 50 Cb -0.05 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1klg s ILE 50 CO -0.00 0.54 -0.18 -0.31 0.00 0.00 0.00 174.94 174.99 1klg s TYR 51 N -0.16 1.71 -0.96 3.97 1.51 0.71 -0.49 117.35 123.65 1klg s TYR 51 Ca 0.02 -0.47 -0.16 0.00 -1.01 0.00 0.00 57.07 55.44 1klg s TYR 51 Cb -0.13 -0.88 0.17 0.00 -0.11 0.00 0.00 41.96 41.00 1klg s TYR 51 CO 0.03 0.25 1.09 -0.80 -1.11 0.00 0.00 175.55 175.01 1klg s ASN 52 N -2.40 6.77 -0.16 2.29 0.01 -1.26 -1.08 114.94 119.10 1klg s ASN 52 Ca 0.11 -2.43 0.01 0.00 -0.71 0.00 0.00 52.86 49.84 1klg s ASN 52 Cb -0.07 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.27 1klg s ASN 52 CO 0.05 -0.86 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.00 1klg s ILE 53 N 1.71 1.68 0.26 0.60 1.01 -1.15 -4.99 121.20 120.32 1klg s ILE 53 Ca 0.31 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 1klg s ILE 53 Cb -0.06 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.76 1klg s ILE 53 CO -0.08 0.44 0.58 -0.44 0.00 0.00 0.00 174.94 175.44 1klg s SER 54 N 1.44 6.58 -0.85 3.58 0.01 -1.26 -3.60 113.70 119.59 1klg s SER 54 Ca 0.04 0.91 -0.25 0.00 1.31 0.00 0.00 55.95 57.96 1klg s SER 54 Cb -0.13 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.89 1klg s SER 54 CO -0.11 -0.14 1.58 -0.62 0.41 0.00 0.00 173.24 174.36 1klg s ASP 55 N -2.62 5.91 0.18 2.44 3.68 0.68 -4.84 116.67 122.10 1klg s ASP 55 Ca 0.47 -0.71 -0.17 0.00 2.13 0.00 0.00 52.55 54.27 1klg s ASP 55 Cb -0.11 -2.56 0.13 0.00 -1.45 0.00 0.00 42.92 38.93 1klg s ASP 55 CO 0.24 -2.01 1.64 0.11 0.13 0.00 0.00 175.17 175.28 1klg h LYS 56 N 11.05 -0.07 0.00 4.34 1.79 -1.94 -1.94 116.57 129.80 1klg h LYS 56 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1klg h LYS 56 Cb 1.05 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1klg h LYS 56 CO 1.31 -0.05 0.00 1.63 -1.08 0.00 0.00 179.45 181.26 1klg n LYS 57 N -5.38 0.00 -0.60 3.15 5.02 -1.26 -4.41 118.16 114.69 1klg n LYS 57 Ca 0.03 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.39 1klg n LYS 57 Cb 0.28 -0.17 0.30 0.00 -0.02 0.00 0.00 35.03 35.43 1klg n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1klg n LEU 58 N 0.00 4.28 -3.84 -0.35 7.99 -1.26 -4.95 117.00 118.87 1klg n LEU 58 Ca 0.00 -2.16 -0.24 0.00 -0.01 0.00 0.00 56.01 53.59 1klg n LEU 58 Cb 0.00 -0.58 0.01 0.00 -0.11 0.00 0.00 43.42 42.74 1klg n LEU 58 CO 0.00 0.61 -0.10 0.29 -1.51 0.00 0.00 177.39 176.68 1klg n LYS 59 N 0.68 -4.40 0.00 3.23 4.76 -0.73 -4.88 118.16 116.82 1klg n LYS 59 Ca 0.21 0.54 0.14 0.00 -2.87 0.00 0.00 58.31 56.32 1klg n LYS 59 Cb 0.86 -5.01 0.43 0.00 -1.84 0.00 0.00 35.03 29.47 1klg n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1klg n ASN 60 N -2.99 1.79 -3.60 4.39 5.03 -1.26 -4.93 115.26 113.68 1klg n ASN 60 Ca -0.24 -1.58 -0.04 0.00 0.87 0.00 0.00 54.58 53.59 1klg n ASN 60 Cb 0.65 0.01 -0.02 0.00 -1.02 0.00 0.00 39.78 39.40 1klg n ASN 60 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1klg s TYR 61 N -2.02 -0.11 0.00 3.10 -0.85 -1.26 -4.33 117.35 111.88 1klg s TYR 61 Ca 0.35 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 1klg s TYR 61 Cb 0.21 0.51 0.00 0.00 0.38 0.00 0.00 41.96 43.06 1klg s TYR 61 CO 0.34 -0.17 0.30 -0.40 -1.52 0.00 0.00 175.55 174.09 1klg n ASP 62 N -0.02 0.00 -4.00 -0.18 3.85 -0.57 -0.23 116.55 115.40 1klg n ASP 62 Ca 0.01 -1.00 -0.20 0.00 -0.71 0.00 0.00 54.79 52.89 1klg n ASP 62 Cb 0.58 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 40.20 1klg n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1klg s LYS 63 N 0.00 0.92 -0.05 0.11 -0.14 -1.10 -2.96 119.74 116.52 1klg s LYS 63 Ca 0.00 -0.30 -0.01 0.00 -1.36 0.00 0.00 55.97 54.30 1klg s LYS 63 Cb 0.00 -0.87 0.03 0.00 -1.68 0.00 0.00 37.83 35.31 1klg s LYS 63 CO 0.00 0.11 0.02 0.08 -0.76 0.00 0.00 175.35 174.80 1klg s VAL 64 N 0.18 0.20 -0.20 3.17 1.01 -0.24 -2.29 120.40 122.22 1klg s VAL 64 Ca -0.03 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1klg s VAL 64 Cb -0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1klg s VAL 64 CO 0.00 0.21 0.08 -0.75 0.00 0.00 0.00 175.10 174.64 1klg s LYS 65 N 1.77 3.96 -0.15 2.72 2.20 -0.93 -0.20 119.74 129.11 1klg s LYS 65 Ca 0.01 -0.34 -0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1klg s LYS 65 Cb -0.13 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 1klg s LYS 65 CO -0.04 0.20 -0.14 -0.08 -0.36 0.00 0.00 175.35 174.93 1klg s THR 66 N 0.60 2.89 -0.05 3.43 -1.32 0.01 -1.38 115.64 119.82 1klg s THR 66 Ca 0.04 -0.70 -0.15 0.00 -1.21 0.00 0.00 61.69 59.66 1klg s THR 66 Cb -0.13 -2.22 -0.05 0.00 -1.51 0.00 0.00 72.50 68.59 1klg s THR 66 CO 0.01 0.51 0.41 -1.61 -2.21 0.00 0.00 174.62 171.73 1klg s GLU 67 N 0.62 4.05 0.31 7.08 2.02 0.27 -1.87 118.70 131.18 1klg s GLU 67 Ca -0.08 0.38 0.08 0.00 0.02 0.00 0.00 54.97 55.37 1klg s GLU 67 Cb -0.16 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1klg s GLU 67 CO 0.03 0.52 0.16 -0.51 0.02 0.00 0.00 175.26 175.48 1klg s LEU 68 N -0.51 3.41 0.53 1.80 1.43 -0.09 -1.51 118.68 123.73 1klg s LEU 68 Ca 0.23 -0.61 0.20 0.00 -1.03 0.00 0.00 54.13 52.92 1klg s LEU 68 Cb -0.16 -1.93 1.36 0.00 0.03 0.00 0.00 46.19 45.49 1klg s LEU 68 CO 0.11 -0.23 2.12 0.25 0.23 0.00 0.00 176.35 178.84 1klg h LEU 69 N 1.52 0.00 -7.96 1.79 5.85 -1.64 -3.45 115.31 111.42 1klg h LEU 69 Ca -0.45 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.34 1klg h LEU 69 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1klg h LEU 69 CO 0.61 0.00 0.40 0.54 -0.34 0.00 0.00 178.44 179.65 1klg s ASN 70 N -6.75 -0.03 0.04 1.25 2.20 -1.26 -5.06 114.94 105.34 1klg s ASN 70 Ca -0.05 -0.89 -0.25 0.00 -0.94 0.00 0.00 52.86 50.74 1klg s ASN 70 Cb 0.17 0.69 -0.17 0.00 -2.00 0.00 0.00 41.25 39.94 1klg s ASN 70 CO 0.67 -1.37 1.51 -0.08 -2.94 0.00 0.00 177.10 174.90 1klg h GLU 71 N 2.00 -0.04 -0.80 3.55 4.81 -1.88 -2.81 114.58 119.41 1klg h GLU 71 Ca -0.29 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1klg h GLU 71 Cb 1.24 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.53 1klg h GLU 71 CO 0.37 0.19 0.36 -0.44 -0.73 0.00 0.00 179.01 178.75 1klg h ASP 72 N -0.26 0.38 -1.00 1.04 3.32 -1.98 0.48 116.42 118.41 1klg h ASP 72 Ca -0.00 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1klg h ASP 72 Cb 0.24 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1klg h ASP 72 CO 0.01 0.14 0.66 0.25 -1.72 0.00 0.00 179.24 178.58 1klg h LEU 73 N 0.51 1.14 -0.24 1.55 5.85 -1.94 0.84 115.31 123.01 1klg h LEU 73 Ca 0.44 -0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.93 1klg h LEU 73 Cb 0.67 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1klg h LEU 73 CO -0.40 0.82 -0.89 0.00 -0.34 0.00 0.00 178.44 177.63 1klg h ALA 74 N 1.38 0.44 -0.45 1.25 0.00 -0.54 -3.04 119.26 118.32 1klg h ALA 74 Ca 0.37 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1klg h ALA 74 Cb -0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1klg h ALA 74 CO -0.08 0.84 0.08 0.87 0.00 0.00 0.00 179.25 180.96 1klg h LYS 75 N 0.20 0.68 -0.42 0.00 1.57 0.53 -1.49 116.57 117.65 1klg h LYS 75 Ca -0.06 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1klg h LYS 75 Cb 1.52 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 1klg h LYS 75 CO 0.15 0.64 0.26 -0.22 -0.57 0.00 0.00 179.45 179.71 1klg h LYS 76 N 0.66 0.52 -0.02 3.15 3.64 -0.74 -3.21 116.57 120.57 1klg h LYS 76 Ca 0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1klg h LYS 76 Cb 0.29 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1klg h LYS 76 CO 0.00 0.34 -0.32 0.66 -2.27 0.00 0.00 179.45 177.87 1klg n TYR 77 N -4.82 0.00 -0.23 1.91 4.02 -1.15 -4.60 117.16 112.29 1klg n TYR 77 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.93 1klg n TYR 77 Cb 0.04 -0.01 0.12 0.00 -0.02 0.00 0.00 39.34 39.47 1klg n TYR 77 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1klg h LYS 78 N 2.93 0.08 -0.46 -0.72 3.64 -1.27 -2.35 116.57 118.42 1klg h LYS 78 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1klg h LYS 78 Cb 0.79 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1klg h LYS 78 CO 0.00 0.05 0.00 -0.25 -2.27 0.00 0.00 179.45 176.98 1klg n ASP 79 N -5.35 3.24 -4.89 4.20 8.00 -1.26 -3.95 116.55 116.53 1klg n ASP 79 Ca 0.11 -1.98 -0.29 0.00 0.71 0.00 0.00 54.79 53.34 1klg n ASP 79 Cb 0.41 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 1klg n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1klg s GLU 80 N -1.01 3.66 -0.15 -1.24 2.02 -0.88 -5.01 118.70 116.09 1klg s GLU 80 Ca 0.32 0.31 -0.22 0.00 0.02 0.00 0.00 54.97 55.40 1klg s GLU 80 Cb 0.17 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 1klg s GLU 80 CO 0.22 -0.09 0.67 0.08 0.02 0.00 0.00 175.26 176.15 1klg s VAL 81 N -2.51 5.02 0.25 2.63 1.01 -1.26 -4.48 120.40 121.06 1klg s VAL 81 Ca 0.49 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.79 1klg s VAL 81 Cb -0.10 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1klg s VAL 81 CO 0.37 0.16 0.19 0.68 0.00 0.00 0.00 175.10 176.50 1klg s VAL 82 N 1.52 0.01 0.15 2.92 -7.23 0.23 -2.25 120.40 115.76 1klg s VAL 82 Ca 0.32 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1klg s VAL 82 Cb -0.16 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1klg s VAL 82 CO 0.13 0.00 -0.04 -1.81 -0.31 0.00 0.00 175.10 173.06 1klg s ASP 83 N -3.24 4.59 0.01 4.85 1.01 0.85 -1.78 116.67 122.97 1klg s ASP 83 Ca 0.40 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.27 1klg s ASP 83 Cb 0.05 -0.92 -0.01 0.00 1.01 0.00 0.00 42.92 43.04 1klg s ASP 83 CO 0.18 0.12 -0.10 -0.69 0.21 0.00 0.00 175.17 174.88 1klg s VAL 84 N -1.59 0.81 -0.29 -1.27 1.01 -0.29 -1.67 120.40 117.11 1klg s VAL 84 Ca 0.25 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 1klg s VAL 84 Cb -0.10 -0.72 0.11 0.00 0.00 0.00 0.00 36.38 35.68 1klg s VAL 84 CO 0.17 0.06 0.76 -0.47 0.00 0.00 0.00 175.10 175.63 1klg s TYR 85 N -0.56 -1.01 -0.08 5.22 5.04 -0.45 -1.98 117.35 123.54 1klg s TYR 85 Ca 0.01 1.90 -0.31 0.00 -2.44 0.00 0.00 57.07 56.23 1klg s TYR 85 Cb -0.06 0.60 0.11 0.00 0.35 0.00 0.00 41.96 42.97 1klg s TYR 85 CO 0.00 -0.50 1.37 0.20 -1.34 0.00 0.00 175.55 175.29 1klg s GLY 86 N 1.98 -0.30 -0.32 8.97 0.00 -1.05 -4.20 107.32 112.40 1klg s GLY 86 Ca -0.08 0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.92 1klg s GLY 86 CO -0.19 4.36 0.23 -0.45 0.00 0.00 0.00 173.10 177.05 1klg s SER 87 N -3.60 6.06 0.45 1.64 0.15 -1.26 -1.02 113.70 116.11 1klg s SER 87 Ca 0.26 -0.28 -0.03 0.00 0.70 0.00 0.00 55.95 56.59 1klg s SER 87 Cb 0.02 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1klg s SER 87 CO -0.04 -0.18 0.72 0.54 1.20 0.00 0.00 173.24 175.48 1klg s ASN 88 N 1.73 6.21 0.12 5.45 6.03 -1.26 -4.60 114.94 128.63 1klg s ASN 88 Ca 0.07 0.74 0.01 0.00 -1.03 0.00 0.00 52.86 52.64 1klg s ASN 88 Cb -0.17 -2.11 -0.04 0.00 -3.03 0.00 0.00 41.25 35.90 1klg s ASN 88 CO 0.11 -0.53 -0.02 -0.72 -2.03 0.00 0.00 177.10 173.91 1klg s TYR 89 N -2.62 0.92 0.00 1.54 1.13 0.67 -4.94 117.35 114.05 1klg s TYR 89 Ca 0.46 -1.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.09 1klg s TYR 89 Cb -0.10 -0.54 0.00 0.00 -1.10 0.00 0.00 41.96 40.22 1klg s TYR 89 CO 0.42 -0.27 0.00 0.66 -2.51 0.00 0.00 175.55 173.85 1klg n TYR 90 N -0.09 0.00 -1.83 -3.49 4.02 -1.26 -1.59 117.16 112.92 1klg n TYR 90 Ca -0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.37 1klg n TYR 90 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.91 1klg n TYR 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1klg s VAL 91 N -1.94 3.29 -0.90 -0.72 1.01 -1.26 -1.74 120.40 118.14 1klg s VAL 91 Ca 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 1klg s VAL 91 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1klg s VAL 91 CO 0.00 -0.06 0.73 0.59 0.00 0.00 0.00 175.10 176.36 1klg n ASN 92 N 7.99 -4.84 -4.49 3.32 5.03 -1.26 -4.67 115.26 116.34 1klg n ASN 92 Ca 0.20 -0.33 -0.39 0.00 0.87 0.00 0.00 54.58 54.93 1klg n ASN 92 Cb 0.43 -3.46 -0.11 0.00 -1.02 0.00 0.00 39.78 35.62 1klg n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1klg s TYR 94 N 1.67 0.70 0.00 0.00 2.02 -1.26 -5.00 117.35 115.49 1klg s TYR 94 Ca 0.06 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1klg s TYR 94 Cb -0.17 -0.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1klg s TYR 94 CO 0.08 -0.03 0.00 1.97 -1.57 0.00 0.00 175.55 176.00 1klg n PHE 95 N 2.13 0.00 0.00 2.71 1.16 -1.26 -5.09 117.46 117.11 1klg n PHE 95 Ca -0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.40 1klg n PHE 95 Cb 0.56 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.43 1klg n PHE 95 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1klg h SER 96 N 0.00 -0.02 -2.57 5.98 0.87 -1.97 -3.51 113.55 112.32 1klg h SER 96 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1klg h SER 96 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1klg h SER 96 CO 0.00 0.08 0.00 -0.24 -0.53 0.00 0.00 176.83 176.14 1klg n SER 97 N -2.58 -1.72 0.00 6.23 2.88 -1.26 -5.17 113.62 112.01 1klg n SER 97 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1klg n SER 97 Cb 0.01 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1klg n SER 97 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1klg n LYS 98 N 0.43 0.00 -0.82 -1.46 4.76 -1.26 -5.16 118.16 114.65 1klg n LYS 98 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1klg n LYS 98 Cb 0.00 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.30 1klg n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1klg n GLY 107 N 0.00 -2.82 3.31 0.72 0.00 -1.26 -4.98 105.19 100.16 1klg n GLY 107 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 1klg n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1klg s LYS 108 N -2.93 1.22 0.13 1.61 1.02 -1.26 -1.52 119.74 118.01 1klg s LYS 108 Ca 0.49 -1.38 -0.10 0.00 0.02 0.00 0.00 55.97 55.00 1klg s LYS 108 Cb -0.09 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 1klg s LYS 108 CO 0.69 0.24 0.27 -0.08 -0.92 0.00 0.00 175.35 175.55 1klg s THR 109 N -2.16 0.09 0.22 2.17 -1.32 -0.97 -4.90 115.64 108.77 1klg s THR 109 Ca 0.15 -1.20 0.03 0.00 -1.21 0.00 0.00 61.69 59.46 1klg s THR 109 Cb -0.05 -1.57 -0.05 0.00 -1.51 0.00 0.00 72.50 69.32 1klg s THR 109 CO 0.06 -0.42 -0.01 0.00 -2.21 0.00 0.00 174.62 172.03 1klg n MET 111 N -0.37 0.26 -4.06 0.00 0.00 -0.48 -0.24 117.12 112.23 1klg n MET 111 Ca -0.06 -0.57 -0.13 0.00 0.00 0.00 0.00 57.70 56.94 1klg n MET 111 Cb 0.63 0.75 -0.12 0.00 0.00 0.00 0.00 33.22 34.49 1klg n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1klg s TYR 112 N -5.15 0.60 0.00 3.17 1.51 -1.26 -0.57 117.35 115.64 1klg s TYR 112 Ca 0.07 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1klg s TYR 112 Cb -0.01 -0.36 0.00 0.00 -0.11 0.00 0.00 41.96 41.48 1klg s TYR 112 CO 0.02 -0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.79 1klg n GLY 113 N 1.70 2.40 2.44 0.71 0.00 -0.57 -4.74 105.19 107.13 1klg n GLY 113 Ca -0.21 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1klg n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1klg n GLY 114 N 0.00 0.51 3.86 -0.02 0.00 -1.26 -4.84 105.19 103.43 1klg n GLY 114 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1klg n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1klg s ILE 115 N -2.21 5.47 -0.03 -0.61 1.01 -1.26 -1.34 121.20 122.23 1klg s ILE 115 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 1klg s ILE 115 Cb 0.00 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 39.09 1klg s ILE 115 CO 0.00 0.60 0.07 0.42 0.00 0.00 0.00 174.94 176.02 1klg s THR 116 N -0.86 -0.01 0.35 2.92 -4.23 -0.67 -4.92 115.64 108.22 1klg s THR 116 Ca 0.14 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.40 1klg s THR 116 Cb -0.12 -0.11 -0.11 0.00 1.34 0.00 0.00 72.50 73.50 1klg s THR 116 CO 0.03 0.01 1.53 -0.75 -0.54 0.00 0.00 174.62 174.91 1klg s LYS 117 N 0.23 4.11 -0.01 3.99 2.20 -1.26 -0.10 119.74 128.89 1klg s LYS 117 Ca -0.02 2.59 0.10 0.00 -0.36 0.00 0.00 55.97 58.28 1klg s LYS 117 Cb -0.03 -2.98 -0.23 0.00 -1.51 0.00 0.00 37.83 33.08 1klg s LYS 117 CO -0.01 -0.58 0.79 1.25 -0.36 0.00 0.00 175.35 176.44 1klg h HIS 118 N 3.64 0.05 -2.09 4.03 -0.00 -1.74 -3.43 115.15 115.61 1klg h HIS 118 Ca -0.50 -0.03 -0.57 0.00 -0.00 0.00 0.00 60.37 59.27 1klg h HIS 118 Cb 1.23 -0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.65 1klg h HIS 118 CO 0.55 1.06 1.36 -1.91 -0.00 0.00 0.00 177.93 178.99 1klg n GLU 119 N -3.15 2.30 -3.64 5.26 4.07 -1.26 -2.96 120.64 121.26 1klg n GLU 119 Ca -0.14 0.75 -0.20 0.00 -0.06 0.00 0.00 57.16 57.50 1klg n GLU 119 Cb 1.03 -3.07 0.05 0.00 -0.06 0.00 0.00 31.44 29.39 1klg n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1klg n GLY 120 N 5.23 -0.31 0.12 8.31 0.00 -1.26 -4.89 105.19 112.38 1klg n GLY 120 Ca 0.26 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.41 1klg n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1klg n ASN 121 N -3.07 0.57 -4.78 1.61 5.15 -1.15 -4.98 115.26 108.61 1klg n ASN 121 Ca -0.29 -1.59 -0.27 0.00 -0.60 0.00 0.00 54.58 51.83 1klg n ASN 121 Cb 0.67 -0.08 -0.06 0.00 -0.53 0.00 0.00 39.78 39.78 1klg n ASN 121 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1klg s HIS 122 N -0.43 2.18 -0.21 1.20 3.76 -1.26 -0.60 115.29 119.93 1klg s HIS 122 Ca 0.03 -0.75 -0.06 0.00 -0.15 0.00 0.00 55.06 54.13 1klg s HIS 122 Cb 0.02 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 1klg s HIS 122 CO 0.00 0.06 0.02 -0.06 -0.85 0.00 0.00 174.74 173.91 1klg s PHE 123 N -2.72 3.06 -0.30 1.40 0.40 -1.25 -4.84 117.98 113.73 1klg s PHE 123 Ca 0.30 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 1klg s PHE 123 Cb 0.02 -2.12 -0.33 0.00 0.51 0.00 0.00 43.02 41.11 1klg s PHE 123 CO 0.17 -0.24 1.71 -0.40 0.70 0.00 0.00 175.22 177.17 1klg n ASP 124 N 4.33 1.03 0.00 1.36 5.68 -1.26 -2.33 116.55 125.36 1klg n ASP 124 Ca -0.17 -2.45 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 1klg n ASP 124 Cb 0.52 -0.84 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 1klg n ASP 124 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1klg n ASN 125 N 11.98 0.00 -0.43 -1.12 5.03 -1.26 -4.85 115.26 124.61 1klg n ASN 125 Ca 0.44 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.83 1klg n ASN 125 Cb 0.43 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.17 1klg n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1klg n GLY 126 N 0.00 0.78 3.70 7.41 0.00 -0.99 -4.95 105.19 111.14 1klg n GLY 126 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1klg n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1klg s ASN 127 N -2.54 6.99 0.27 1.61 -0.87 -1.25 -5.03 114.94 114.12 1klg s ASN 127 Ca 0.00 2.01 -0.00 0.00 -1.57 0.00 0.00 52.86 53.30 1klg s ASN 127 Cb 0.00 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.62 1klg s ASN 127 CO 0.00 -0.58 0.46 -0.76 -2.57 0.00 0.00 177.10 173.66 1klg s LEU 128 N 1.70 4.14 -0.14 0.60 1.43 -1.26 -4.45 118.68 120.70 1klg s LEU 128 Ca 0.60 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1klg s LEU 128 Cb -0.29 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1klg s LEU 128 CO 0.27 -0.15 -0.06 -1.58 0.23 0.00 0.00 176.35 175.06 1klg s GLN 129 N -3.74 3.51 0.17 1.70 2.00 0.05 -4.92 119.66 118.43 1klg s GLN 129 Ca 0.39 -0.56 -0.15 0.00 -2.00 0.00 0.00 55.36 53.05 1klg s GLN 129 Cb -0.10 -2.82 -0.07 0.00 0.80 0.00 0.00 33.01 30.82 1klg s GLN 129 CO 0.31 0.29 0.59 -0.80 -0.50 0.00 0.00 175.29 175.18 1klg s ASN 130 N 0.22 6.86 -0.06 6.67 0.01 -1.26 -1.99 114.94 125.39 1klg s ASN 130 Ca -0.04 1.14 0.02 0.00 -0.71 0.00 0.00 52.86 53.27 1klg s ASN 130 Cb -0.14 -2.31 0.02 0.00 0.41 0.00 0.00 41.25 39.22 1klg s ASN 130 CO 0.03 0.07 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.90 1klg s VAL 131 N -1.51 0.99 0.25 1.60 1.01 -0.07 -4.80 120.40 117.87 1klg s VAL 131 Ca 0.40 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1klg s VAL 131 Cb -0.15 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.22 1klg s VAL 131 CO 0.20 0.32 1.24 -0.22 0.00 0.00 0.00 175.10 176.64 1klg s LEU 132 N 0.74 4.46 -0.10 3.92 2.96 -1.26 -1.64 118.68 127.75 1klg s LEU 132 Ca -0.13 2.41 -0.01 0.00 -0.22 0.00 0.00 54.13 56.17 1klg s LEU 132 Cb -0.15 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 42.95 1klg s LEU 132 CO 0.03 -0.41 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.95 1klg s VAL 133 N -0.53 0.58 -0.16 1.68 1.01 0.12 -1.25 120.40 121.85 1klg s VAL 133 Ca 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 1klg s VAL 133 Cb -0.35 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1klg s VAL 133 CO 0.42 0.20 -0.09 -0.13 0.00 0.00 0.00 175.10 175.50 1klg s ARG 134 N 1.88 3.42 -0.22 2.72 0.52 -0.44 -0.64 118.95 126.18 1klg s ARG 134 Ca 0.04 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 1klg s ARG 134 Cb -0.13 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 1klg s ARG 134 CO -0.06 0.08 0.17 0.08 0.02 0.00 0.00 175.30 175.59 1klg s VAL 135 N 0.71 5.37 -0.15 3.52 1.01 0.51 -0.61 120.40 130.76 1klg s VAL 135 Ca -0.04 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1klg s VAL 135 Cb -0.15 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1klg s VAL 135 CO 0.02 0.38 -0.12 -0.31 0.00 0.00 0.00 175.10 175.06 1klg s TYR 136 N 0.80 2.83 -0.22 5.22 1.51 0.24 -0.25 117.35 127.48 1klg s TYR 136 Ca 0.09 -0.81 -0.01 0.00 -1.01 0.00 0.00 57.07 55.32 1klg s TYR 136 Cb -0.13 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1klg s TYR 136 CO 0.02 -0.35 -0.10 -1.21 -1.11 0.00 0.00 175.55 172.81 1klg s GLU 137 N 0.68 2.97 -1.28 -0.62 2.02 -0.12 0.94 118.70 123.29 1klg s GLU 137 Ca -0.06 -0.88 -0.00 0.00 0.02 0.00 0.00 54.97 54.05 1klg s GLU 137 Cb -0.15 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1klg s GLU 137 CO 0.02 -0.31 0.81 0.09 0.02 0.00 0.00 175.26 175.90 1klg n ASN 138 N 4.67 -1.61 0.00 -0.19 3.02 -0.02 -2.03 115.26 119.11 1klg n ASN 138 Ca -0.18 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1klg n ASN 138 Cb 0.48 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 1klg n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1klg n LYS 139 N -4.24 -0.33 -5.22 3.52 5.02 -1.26 -4.99 118.16 110.66 1klg n LYS 139 Ca -0.29 0.08 -0.32 0.00 -2.02 0.00 0.00 58.31 55.77 1klg n LYS 139 Cb 0.67 -3.62 -0.17 0.00 -0.02 0.00 0.00 35.03 31.89 1klg n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1klg s ARG 140 N -0.64 3.00 -0.22 1.97 0.52 -0.86 -5.05 118.95 117.68 1klg s ARG 140 Ca 0.00 -0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 54.05 1klg s ARG 140 Cb 0.00 -2.28 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 1klg s ARG 140 CO 0.00 0.19 2.22 1.21 0.02 0.00 0.00 175.30 178.94 1klg s ASN 141 N 0.31 5.45 -0.23 0.23 2.47 -1.26 -0.95 114.94 120.96 1klg s ASN 141 Ca -0.18 1.89 -0.19 0.00 0.42 0.00 0.00 52.86 54.80 1klg s ASN 141 Cb -0.18 -2.51 -0.17 0.00 -1.45 0.00 0.00 41.25 36.94 1klg s ASN 141 CO 0.09 -1.97 0.03 0.35 -3.72 0.00 0.00 177.10 171.88 1klg n THR 142 N 7.75 1.54 -4.05 -5.21 -2.24 0.66 -4.94 114.28 107.78 1klg n THR 142 Ca 0.30 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1klg n THR 142 Cb 0.45 -1.99 -0.10 0.00 -2.10 0.00 0.00 70.33 66.59 1klg n THR 142 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1klg s ILE 143 N -2.41 0.19 0.02 2.28 -4.36 -1.22 -5.03 121.20 110.66 1klg s ILE 143 Ca -0.32 -1.55 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 1klg s ILE 143 Cb 0.09 -1.20 -0.01 0.00 1.25 0.00 0.00 42.46 42.58 1klg s ILE 143 CO 0.56 -0.86 -0.05 -0.44 0.24 0.00 0.00 174.94 174.39 1klg s SER 144 N -2.55 0.54 0.11 4.36 0.01 -1.26 -0.36 113.70 114.54 1klg s SER 144 Ca 0.01 -0.30 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 1klg s SER 144 Cb 0.03 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.29 1klg s SER 144 CO -0.08 -0.10 0.25 2.22 0.41 0.00 0.00 173.24 175.95 1klg n PHE 145 N 2.24 -1.31 -4.12 2.43 -1.74 0.19 -5.01 117.46 110.13 1klg n PHE 145 Ca -0.18 -0.53 -0.15 0.00 -0.56 0.00 0.00 57.45 56.03 1klg n PHE 145 Cb 0.57 0.26 -0.11 0.00 1.52 0.00 0.00 39.48 41.72 1klg n PHE 145 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1klg s GLU 146 N -2.02 0.69 0.27 3.97 2.02 -1.26 0.11 118.70 122.47 1klg s GLU 146 Ca 0.05 -0.91 0.10 0.00 0.02 0.00 0.00 54.97 54.24 1klg s GLU 146 Cb -0.01 -0.51 -0.05 0.00 0.10 0.00 0.00 34.13 33.66 1klg s GLU 146 CO 0.03 0.10 -0.08 0.14 0.02 0.00 0.00 175.26 175.47 1klg s VAL 147 N -1.58 3.08 0.19 2.63 -7.23 -0.65 -4.89 120.40 111.95 1klg s VAL 147 Ca -0.04 -2.09 0.10 0.00 -1.81 0.00 0.00 61.98 58.14 1klg s VAL 147 Cb -0.08 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1klg s VAL 147 CO 0.01 -0.37 -0.22 -1.10 -0.31 0.00 0.00 175.10 173.10 1klg s GLN 148 N -3.58 1.44 0.03 4.82 -0.21 -1.26 -0.89 119.66 120.01 1klg s GLN 148 Ca 0.31 -1.49 -0.09 0.00 0.02 0.00 0.00 55.36 54.10 1klg s GLN 148 Cb -0.06 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.29 1klg s GLN 148 CO 0.18 0.35 0.19 -0.08 -2.12 0.00 0.00 175.29 173.81 1klg s THR 149 N -1.82 0.10 -2.38 -0.19 -1.32 -0.84 -4.95 115.64 104.24 1klg s THR 149 Ca 0.19 -0.86 0.23 0.00 -1.21 0.00 0.00 61.69 60.04 1klg s THR 149 Cb -0.07 -0.85 0.47 0.00 -1.51 0.00 0.00 72.50 70.54 1klg s THR 149 CO 0.09 -0.48 1.44 -0.90 -2.21 0.00 0.00 174.62 172.56 1klg n ASP 150 N 0.78 3.48 -4.64 8.08 5.75 -1.26 -0.77 116.55 127.97 1klg n ASP 150 Ca -0.19 -1.99 -0.32 0.00 -0.01 0.00 0.00 54.79 52.29 1klg n ASP 150 Cb 0.58 -0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 40.29 1klg n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1klg s LYS 151 N -1.42 2.59 -0.10 0.11 1.02 -1.26 -3.94 119.74 116.75 1klg s LYS 151 Ca 0.41 -0.74 -0.27 0.00 0.02 0.00 0.00 55.97 55.38 1klg s LYS 151 Cb 0.23 -2.55 -0.25 0.00 -0.52 0.00 0.00 37.83 34.75 1klg s LYS 151 CO 0.32 0.59 0.91 0.87 -0.92 0.00 0.00 175.35 177.12 1klg h LYS 152 N 4.11 0.05 -4.77 1.68 1.57 -1.18 -3.41 116.57 114.61 1klg h LYS 152 Ca -0.48 -0.06 -0.68 0.00 -1.87 0.00 0.00 60.65 57.55 1klg h LYS 152 Cb 1.17 0.02 -0.26 0.00 0.08 0.00 0.00 32.23 33.24 1klg h LYS 152 CO 0.56 0.91 -0.61 0.45 -0.57 0.00 0.00 179.45 180.19 1klg s SER 153 N -6.19 5.21 0.22 0.86 0.15 -1.26 -0.77 113.70 111.92 1klg s SER 153 Ca -0.18 -0.79 0.12 0.00 0.70 0.00 0.00 55.95 55.80 1klg s SER 153 Cb -0.01 -1.89 -0.05 0.00 -1.71 0.00 0.00 66.02 62.36 1klg s SER 153 CO 0.71 -0.22 -0.23 0.54 1.20 0.00 0.00 173.24 175.23 1klg s VAL 154 N 1.49 2.41 0.41 4.45 0.11 -0.29 -4.88 120.40 124.09 1klg s VAL 154 Ca 0.02 -2.13 -0.23 0.00 -2.93 0.00 0.00 61.98 56.70 1klg s VAL 154 Cb -0.18 -2.19 -0.09 0.00 -1.53 0.00 0.00 36.38 32.40 1klg s VAL 154 CO 0.03 -0.20 1.02 0.42 -3.33 0.00 0.00 175.10 173.04 1klg s THR 155 N -1.91 3.87 0.24 5.04 -4.23 -1.26 -0.14 115.64 117.25 1klg s THR 155 Ca 0.23 1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 62.05 1klg s THR 155 Cb -0.07 -3.68 0.23 0.00 1.34 0.00 0.00 72.50 70.32 1klg s THR 155 CO 0.11 -0.05 1.91 0.00 -0.54 0.00 0.00 174.62 176.05 1klg h ALA 156 N 2.38 1.20 -0.56 3.99 0.00 -1.50 -2.48 119.26 122.29 1klg h ALA 156 Ca -0.48 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.47 1klg h ALA 156 Cb 1.21 -0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1klg h ALA 156 CO 0.62 0.54 -0.34 0.37 0.00 0.00 0.00 179.25 180.44 1klg h GLN 157 N 1.23 -0.17 -0.42 0.00 4.15 -1.91 0.28 115.11 118.27 1klg h GLN 157 Ca 0.35 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.84 1klg h GLN 157 Cb -0.09 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.58 1klg h GLN 157 CO -0.09 -0.11 0.13 1.49 -1.93 0.00 0.00 178.83 178.32 1klg h GLU 158 N -0.18 0.28 0.04 1.69 4.81 -1.69 0.40 114.58 119.93 1klg h GLU 158 Ca 0.22 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1klg h GLU 158 Cb 0.55 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1klg h GLU 158 CO -0.65 0.18 -0.02 -0.07 -0.73 0.00 0.00 179.01 177.72 1klg h LEU 159 N 0.29 -0.04 -0.21 1.64 3.38 -1.15 -1.71 115.31 117.50 1klg h LEU 159 Ca 0.20 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1klg h LEU 159 Cb 0.20 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1klg h LEU 159 CO -0.22 0.14 -0.53 -0.78 0.09 0.00 0.00 178.44 177.14 1klg h ASP 160 N -0.23 -1.71 -0.56 -0.43 -0.00 -0.09 0.28 116.42 113.67 1klg h ASP 160 Ca -0.01 0.21 0.11 0.00 -0.00 0.00 0.00 57.03 57.34 1klg h ASP 160 Cb 0.21 0.68 -0.11 0.00 -0.00 0.00 0.00 39.33 40.11 1klg h ASP 160 CO 0.01 -0.45 -0.26 0.40 -0.00 0.00 0.00 179.24 178.95 1klg h ILE 161 N -0.51 0.27 -0.41 2.25 2.04 -0.85 0.20 117.51 120.50 1klg h ILE 161 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1klg h ILE 161 Cb 0.64 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1klg h ILE 161 CO -0.47 0.00 0.18 0.11 0.00 0.00 0.00 178.15 177.98 1klg h LYS 162 N -0.12 0.56 0.15 2.37 1.57 -0.27 -0.18 116.57 120.65 1klg h LYS 162 Ca 0.25 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1klg h LYS 162 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1klg h LYS 162 CO -0.63 0.45 -0.07 0.00 -0.57 0.00 0.00 179.45 178.63 1klg h ALA 163 N 1.64 -0.20 -0.20 3.86 0.00 0.24 -2.85 119.26 121.75 1klg h ALA 163 Ca 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1klg h ALA 163 Cb 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1klg h ALA 163 CO -0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 179.25 178.65 1klg h ARG 164 N -0.50 0.32 -0.38 0.00 3.08 -0.54 -2.05 114.38 114.30 1klg h ARG 164 Ca -0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1klg h ARG 164 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1klg h ARG 164 CO 0.03 0.45 0.25 -0.97 -1.07 0.00 0.00 179.97 178.66 1klg h ASN 165 N 0.30 0.45 0.04 7.04 -1.24 -1.01 0.33 115.58 121.49 1klg h ASN 165 Ca 0.06 -0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.06 1klg h ASN 165 Cb 0.41 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 1klg h ASN 165 CO 0.02 0.34 -0.10 0.15 -1.29 0.00 0.00 177.43 176.55 1klg h PHE 166 N 0.51 -0.26 0.00 0.67 3.57 -1.21 -2.71 116.94 117.51 1klg h PHE 166 Ca 0.14 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1klg h PHE 166 Cb -0.04 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1klg h PHE 166 CO -0.05 -0.16 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.66 1klg h LEU 167 N -0.19 0.00 -0.48 0.59 3.38 -1.04 0.23 115.31 117.80 1klg h LEU 167 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1klg h LEU 167 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1klg h LEU 167 CO -0.08 0.15 -0.16 0.40 0.09 0.00 0.00 178.44 178.84 1klg h ILE 168 N 0.00 1.27 0.21 1.22 2.04 -0.63 0.66 117.51 122.28 1klg h ILE 168 Ca -0.00 -1.31 -0.32 0.00 1.00 0.00 0.00 64.86 64.23 1klg h ILE 168 Cb 0.38 1.11 0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1klg h ILE 168 CO 0.02 0.45 -1.40 0.78 0.00 0.00 0.00 178.15 178.00 1klg h ASN 169 N 0.81 0.70 0.40 1.72 2.35 -1.19 -2.33 115.58 118.04 1klg h ASN 169 Ca 0.12 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.12 1klg h ASN 169 Cb 0.73 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1klg h ASN 169 CO 0.06 1.58 -1.08 0.29 -1.65 0.00 0.00 177.43 176.64 1klg n LYS 170 N -3.65 0.30 0.00 0.81 4.76 0.02 -4.49 118.16 115.91 1klg n LYS 170 Ca -0.14 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1klg n LYS 170 Cb 1.08 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 1klg n LYS 170 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1klg n LYS 171 N -1.97 0.20 -3.80 1.97 4.76 0.15 -5.02 118.16 114.45 1klg n LYS 171 Ca 0.02 -0.43 -0.26 0.00 -2.87 0.00 0.00 58.31 54.76 1klg n LYS 171 Cb 0.44 -0.56 0.04 0.00 -1.84 0.00 0.00 35.03 33.11 1klg n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1klg n ASN 172 N -0.04 -3.70 -0.30 4.39 3.02 -0.73 -4.84 115.26 113.07 1klg n ASN 172 Ca 0.00 -0.76 0.13 0.00 -0.03 0.00 0.00 54.58 53.92 1klg n ASN 172 Cb 0.39 -4.10 0.28 0.00 -0.61 0.00 0.00 39.78 35.74 1klg n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1klg h LEU 173 N -2.08 -0.14 -8.27 3.41 5.85 -1.49 -3.39 115.31 109.20 1klg h LEU 173 Ca -0.59 0.22 -0.46 0.00 0.84 0.00 0.00 57.88 57.88 1klg h LEU 173 Cb 1.37 0.32 -0.27 0.00 0.37 0.00 0.00 40.66 42.46 1klg h LEU 173 CO 0.62 -0.21 -0.80 -0.31 -0.34 0.00 0.00 178.44 177.39 1klg s TYR 174 N -5.96 1.24 0.41 1.25 1.51 -1.26 -4.48 117.35 110.06 1klg s TYR 174 Ca -0.12 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1klg s TYR 174 Cb 0.26 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1klg s TYR 174 CO 0.77 0.01 0.07 -1.21 -1.11 0.00 0.00 175.55 174.08 1klg s GLU 175 N -0.76 1.91 0.12 -0.62 2.02 -0.81 -4.95 118.70 115.61 1klg s GLU 175 Ca 0.03 -2.14 -0.32 0.00 0.02 0.00 0.00 54.97 52.56 1klg s GLU 175 Cb -0.07 -0.97 -0.10 0.00 0.10 0.00 0.00 34.13 33.09 1klg s GLU 175 CO 0.00 -0.33 1.58 0.35 0.02 0.00 0.00 175.26 176.88 1klg h PHE 176 N 1.79 -1.31 -3.54 1.61 3.57 -1.94 -2.94 116.94 114.18 1klg h PHE 176 Ca -0.39 0.04 -0.64 0.00 3.53 0.00 0.00 57.97 60.51 1klg h PHE 176 Cb 1.27 0.57 -0.40 0.00 2.79 0.00 0.00 35.95 40.18 1klg h PHE 176 CO 1.17 -0.53 -0.73 0.54 -2.23 0.00 0.00 178.31 176.53 1klg s ASN 177 N -4.74 4.57 0.00 0.41 4.22 -1.26 0.73 114.94 118.87 1klg s ASN 177 Ca -0.16 -2.02 0.00 0.00 -2.14 0.00 0.00 52.86 48.54 1klg s ASN 177 Cb 0.07 -1.42 0.00 0.00 1.28 0.00 0.00 41.25 41.19 1klg s ASN 177 CO 0.63 -0.39 0.00 -0.24 -2.04 0.00 0.00 177.10 175.06 1klg n SER 178 N 4.42 0.00 -4.18 3.54 2.88 -1.26 -4.89 113.62 114.13 1klg n SER 178 Ca 0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.43 1klg n SER 178 Cb 0.42 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 1klg n SER 178 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1klg s SER 179 N -1.62 1.43 0.48 -3.46 0.15 -1.26 -1.92 113.70 107.49 1klg s SER 179 Ca 0.00 -0.86 0.26 0.00 0.70 0.00 0.00 55.95 56.05 1klg s SER 179 Cb 0.00 0.02 1.14 0.00 -1.71 0.00 0.00 66.02 65.47 1klg s SER 179 CO 0.00 -0.30 1.92 -0.65 1.20 0.00 0.00 173.24 175.41 1klg h PRO 180 N 3.39 0.00 -5.96 5.44 0.11 -1.79 -3.44 132.00 129.75 1klg h PRO 180 Ca -0.37 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.13 1klg h PRO 180 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1klg h PRO 180 CO 0.56 0.18 -0.51 0.71 -0.21 0.00 0.00 178.00 178.72 1klg s TYR 181 N -3.83 3.47 -0.15 0.65 1.51 -1.26 -4.58 117.35 113.17 1klg s TYR 181 Ca -0.01 0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 56.11 1klg s TYR 181 Cb 0.11 -1.73 -0.24 0.00 -0.11 0.00 0.00 41.96 39.99 1klg s TYR 181 CO 0.61 0.57 0.39 1.49 -1.11 0.00 0.00 175.55 177.50 1klg h GLU 182 N 3.01 0.16 -4.61 -0.62 4.57 -0.09 -3.43 114.58 113.57 1klg h GLU 182 Ca -0.46 -0.27 -0.22 0.00 -1.18 0.00 0.00 59.36 57.24 1klg h GLU 182 Cb 1.16 0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 29.71 1klg h GLU 182 CO 0.74 1.13 -0.70 0.95 -1.18 0.00 0.00 179.01 179.95 1klg s THR 183 N -2.45 0.65 -0.29 0.32 -4.23 -1.20 -0.73 115.64 107.71 1klg s THR 183 Ca -0.24 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 58.16 1klg s THR 183 Cb 0.05 -1.63 0.15 0.00 1.34 0.00 0.00 72.50 72.42 1klg s THR 183 CO 0.70 -0.87 1.14 -0.83 -0.54 0.00 0.00 174.62 174.23 1klg s GLY 184 N -2.98 0.10 0.04 3.99 0.00 -1.26 -1.48 107.32 105.72 1klg s GLY 184 Ca 0.11 3.13 0.00 0.00 0.00 0.00 0.00 44.72 47.96 1klg s GLY 184 CO -0.05 2.15 -0.04 -2.52 0.00 0.00 0.00 173.10 172.64 1klg s TYR 185 N 0.55 0.45 -0.21 1.90 -0.85 -0.78 0.05 117.35 118.46 1klg s TYR 185 Ca -0.00 -0.73 -0.02 0.00 -0.52 0.00 0.00 57.07 55.80 1klg s TYR 185 Cb -0.04 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 41.99 1klg s TYR 185 CO -0.11 -0.23 -0.10 -1.50 -1.52 0.00 0.00 175.55 172.08 1klg s ILE 186 N -2.43 2.88 -0.13 -3.49 2.07 -0.41 -1.47 121.20 118.22 1klg s ILE 186 Ca -0.05 -0.67 -0.05 0.00 -1.41 0.00 0.00 60.65 58.47 1klg s ILE 186 Cb -0.03 -2.28 -0.04 0.00 0.13 0.00 0.00 42.46 40.24 1klg s ILE 186 CO -0.04 0.46 0.03 -0.75 -1.91 0.00 0.00 174.94 172.73 1klg s LYS 187 N 1.41 3.48 -0.12 3.50 2.20 0.73 -1.68 119.74 129.26 1klg s LYS 187 Ca 0.05 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.25 1klg s LYS 187 Cb -0.14 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1klg s LYS 187 CO -0.07 0.49 0.02 -0.06 -0.36 0.00 0.00 175.35 175.37 1klg s PHE 188 N -0.27 3.19 -0.20 4.03 0.40 0.60 -0.82 117.98 124.91 1klg s PHE 188 Ca 0.07 0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1klg s PHE 188 Cb -0.12 -1.90 0.04 0.00 0.51 0.00 0.00 43.02 41.55 1klg s PHE 188 CO 0.02 0.33 -0.13 0.42 0.70 0.00 0.00 175.22 176.55 1klg s ILE 189 N -0.39 1.83 0.27 0.64 1.01 0.13 -2.52 121.20 122.17 1klg s ILE 189 Ca 0.08 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 1klg s ILE 189 Cb -0.12 -1.82 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 1klg s ILE 189 CO 0.02 0.26 0.56 -1.61 0.00 0.00 0.00 174.94 174.18 1klg s GLU 190 N 1.33 3.72 0.06 2.79 2.02 0.10 -0.84 118.70 127.87 1klg s GLU 190 Ca -0.00 0.16 0.04 0.00 0.02 0.00 0.00 54.97 55.18 1klg s GLU 190 Cb -0.16 -2.63 0.20 0.00 0.10 0.00 0.00 34.13 31.64 1klg s GLU 190 CO -0.09 0.25 1.06 0.27 0.02 0.00 0.00 175.26 176.76 1klg n ASN 191 N -0.57 0.09 -1.57 -0.19 6.94 -1.26 -0.21 115.26 118.50 1klg n ASN 191 Ca -0.00 0.49 0.07 0.00 -0.02 0.00 0.00 54.58 55.12 1klg n ASN 191 Cb 0.53 -0.49 0.36 0.00 -2.36 0.00 0.00 39.78 37.81 1klg n ASN 191 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1klg n ASN 192 N -1.58 5.11 0.00 0.53 0.23 -1.26 -4.93 115.26 113.35 1klg n ASN 192 Ca -0.00 -2.98 0.00 0.00 -0.53 0.00 0.00 54.58 51.07 1klg n ASN 192 Cb 0.07 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.13 1klg n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1klg n GLY 193 N 0.21 2.21 3.73 4.83 0.00 0.71 -5.01 105.19 111.88 1klg n GLY 193 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1klg n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1klg s ASN 194 N -3.58 7.27 0.14 1.61 2.47 -1.24 -4.78 114.94 116.82 1klg s ASN 194 Ca 0.00 2.02 0.06 0.00 0.42 0.00 0.00 52.86 55.36 1klg s ASN 194 Cb 0.00 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 37.16 1klg s ASN 194 CO 0.00 -0.24 -0.13 0.42 -3.72 0.00 0.00 177.10 173.43 1klg s THR 195 N 0.03 1.33 0.09 -5.21 -4.23 -1.26 -0.73 115.64 105.67 1klg s THR 195 Ca 0.50 -1.89 -0.24 0.00 -1.18 0.00 0.00 61.69 58.88 1klg s THR 195 Cb -0.28 -1.70 0.07 0.00 1.34 0.00 0.00 72.50 71.93 1klg s THR 195 CO 0.33 -0.55 0.59 0.72 -0.54 0.00 0.00 174.62 175.18 1klg s PHE 196 N -2.63 -0.53 0.10 3.99 -0.12 -1.05 -1.80 117.98 115.94 1klg s PHE 196 Ca 0.13 0.50 -0.04 0.00 -0.05 0.00 0.00 56.93 57.48 1klg s PHE 196 Cb -0.02 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1klg s PHE 196 CO 0.03 -0.75 0.09 1.67 -0.05 0.00 0.00 175.22 176.21 1klg s TRP 197 N -2.97 0.51 -0.00 3.49 1.48 -1.26 -0.29 118.94 119.89 1klg s TRP 197 Ca -0.03 -0.95 0.06 0.00 -1.06 0.00 0.00 56.10 54.12 1klg s TRP 197 Cb -0.01 -0.28 -0.02 0.00 -1.16 0.00 0.00 33.47 32.00 1klg s TRP 197 CO -0.06 -0.51 -0.20 0.71 -4.06 0.00 0.00 176.95 172.83 1klg s TYR 198 N -3.95 1.75 0.10 1.66 4.12 -0.67 -4.95 117.35 115.40 1klg s TYR 198 Ca 0.13 -0.34 -0.30 0.00 0.02 0.00 0.00 57.07 56.58 1klg s TYR 198 Cb 0.06 -1.11 -0.06 0.00 -1.52 0.00 0.00 41.96 39.34 1klg s TYR 198 CO -0.05 -0.00 1.02 0.34 0.02 0.00 0.00 175.55 176.87 1klg s ASP 199 N -0.63 7.38 0.00 2.29 -1.08 -1.26 -1.29 116.67 122.08 1klg s ASP 199 Ca 0.07 1.86 0.24 0.00 -0.52 0.00 0.00 52.55 54.20 1klg s ASP 199 Cb -0.08 -2.59 0.26 0.00 -1.46 0.00 0.00 42.92 39.06 1klg s ASP 199 CO -0.00 -0.18 1.25 0.23 0.52 0.00 0.00 175.17 176.99 1klg n MET 200 N 3.02 0.61 -4.01 4.34 2.81 0.11 -4.93 117.12 119.07 1klg n MET 200 Ca 0.04 -0.45 -0.31 0.00 -1.81 0.00 0.00 57.70 55.18 1klg n MET 200 Cb 0.49 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.45 1klg n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1klg s MET 201 N -2.70 3.05 0.69 0.03 -1.94 -1.25 -4.98 119.30 112.20 1klg s MET 201 Ca 0.16 -0.61 -0.15 0.00 -1.71 0.00 0.00 55.69 53.38 1klg s MET 201 Cb 0.18 -2.82 0.02 0.00 2.01 0.00 0.00 34.83 34.21 1klg s MET 201 CO 0.65 0.58 1.14 -1.25 -0.01 0.00 0.00 175.02 176.13 1klg s PRO 202 N -2.43 2.54 0.67 2.03 0.04 -1.26 -4.80 135.00 131.80 1klg s PRO 202 Ca 0.31 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 1klg s PRO 202 Cb -0.12 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1klg s PRO 202 CO 0.24 -1.47 1.23 0.00 0.04 0.00 0.00 177.00 177.04 1klg s ALA 203 N -2.25 2.31 0.63 8.56 0.00 -1.26 -4.68 121.76 125.07 1klg s ALA 203 Ca 0.69 0.99 -0.18 0.00 0.00 0.00 0.00 51.96 53.46 1klg s ALA 203 Cb -0.23 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1klg s ALA 203 CO 0.43 -1.59 1.26 -1.25 0.00 0.00 0.00 175.76 174.61 1klg s PRO 204 N -3.62 2.72 0.00 0.00 0.04 -1.26 -4.78 135.00 128.10 1klg s PRO 204 Ca 0.77 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1klg s PRO 204 Cb -0.31 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1klg s PRO 204 CO 0.40 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1klg n GLY 205 N 0.74 0.78 0.73 0.56 0.00 -0.81 -4.91 105.19 102.27 1klg n GLY 205 Ca 0.15 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 44.22 1klg n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1klg n ASP 206 N 2.12 2.63 -3.74 1.61 5.68 -1.26 0.81 116.55 124.40 1klg n ASP 206 Ca 0.00 -1.77 -0.18 0.00 -0.50 0.00 0.00 54.79 52.35 1klg n ASP 206 Cb 0.00 -0.09 -0.17 0.00 -1.14 0.00 0.00 41.12 39.72 1klg n ASP 206 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1klg s LYS 207 N -1.28 0.04 -0.19 0.11 -0.14 -1.26 -3.20 119.74 113.82 1klg s LYS 207 Ca 0.23 0.24 -0.24 0.00 -1.36 0.00 0.00 55.97 54.84 1klg s LYS 207 Cb 0.15 -0.43 -0.01 0.00 -1.68 0.00 0.00 37.83 35.85 1klg s LYS 207 CO 0.21 -0.23 0.80 0.12 -0.76 0.00 0.00 175.35 175.48 1klg s PHE 208 N 1.55 3.39 -0.76 3.18 5.36 -1.26 -4.97 117.98 124.46 1klg s PHE 208 Ca -0.03 1.18 -0.16 0.00 -0.96 0.00 0.00 56.93 56.96 1klg s PHE 208 Cb -0.13 -2.98 0.17 0.00 -0.34 0.00 0.00 43.02 39.74 1klg s PHE 208 CO -0.03 -0.25 0.78 0.34 -1.46 0.00 0.00 175.22 174.60 1klg s ASP 209 N 1.19 6.56 0.16 6.13 -1.08 -1.26 -4.93 116.67 123.44 1klg s ASP 209 Ca 0.36 -2.23 -0.17 0.00 -0.52 0.00 0.00 52.55 49.99 1klg s ASP 209 Cb -0.16 -2.26 0.08 0.00 -1.46 0.00 0.00 42.92 39.12 1klg s ASP 209 CO 0.11 -0.80 1.69 1.56 0.52 0.00 0.00 175.17 178.25 1klg h GLN 210 N 8.38 0.05 -0.40 4.34 4.20 -1.93 -1.36 115.11 128.39 1klg h GLN 210 Ca -0.01 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1klg h GLN 210 Cb 1.05 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 1klg h GLN 210 CO 0.92 0.03 0.23 1.03 -0.67 0.00 0.00 178.83 180.37 1klg h SER 211 N 0.05 0.37 -0.50 1.46 0.87 -1.92 -0.58 113.55 113.30 1klg h SER 211 Ca 0.18 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1klg h SER 211 Cb 0.27 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1klg h SER 211 CO -0.34 0.27 0.04 0.50 -0.53 0.00 0.00 176.83 176.76 1klg h LYS 212 N 0.47 0.91 0.08 2.24 1.63 -1.91 -2.33 116.57 117.66 1klg h LYS 212 Ca 0.16 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1klg h LYS 212 Cb 0.01 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1klg h LYS 212 CO -0.08 0.88 -0.04 -0.92 -3.45 0.00 0.00 179.45 175.85 1klg h TYR 213 N 0.85 -0.10 0.00 1.91 3.20 -0.91 -3.03 116.97 118.89 1klg h TYR 213 Ca 0.17 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1klg h TYR 213 Cb 0.45 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1klg h TYR 213 CO 0.03 0.25 0.00 -0.07 -1.64 0.00 0.00 178.16 176.72 1klg h LEU 214 N -0.46 0.00 -2.33 2.82 3.38 -1.05 -2.73 115.31 114.94 1klg h LEU 214 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1klg h LEU 214 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1klg h LEU 214 CO 0.02 0.00 0.22 -0.03 0.09 0.00 0.00 178.44 178.74 1klg h MET 215 N 0.00 0.00 0.00 1.13 4.05 -1.28 -1.65 114.93 117.18 1klg h MET 215 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1klg h MET 215 Cb 0.10 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1klg h MET 215 CO 0.00 0.00 -0.07 0.00 0.23 0.00 0.00 176.91 177.07 1klg h MET 216 N 0.00 0.00 -0.02 0.39 -0.00 -1.68 0.52 114.93 114.14 1klg h MET 216 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1klg h MET 216 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 1klg h MET 216 CO 0.00 0.07 0.00 0.66 -0.00 0.00 0.00 176.91 177.64 1klg n TYR 217 N -4.11 0.00 -0.19 -0.10 0.53 -0.62 -4.04 117.16 108.63 1klg n TYR 217 Ca -0.03 0.00 -0.00 0.00 -1.02 0.00 0.00 57.90 56.85 1klg n TYR 217 Cb 0.16 -0.00 0.08 0.00 -1.03 0.00 0.00 39.34 38.55 1klg n TYR 217 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 1klg h ASN 218 N 0.00 -0.36 0.36 7.72 -0.00 -1.08 -2.49 115.58 119.74 1klg h ASN 218 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.46 1klg h ASN 218 Cb 0.01 0.29 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 1klg h ASN 218 CO 0.00 -0.14 0.00 -0.90 -0.00 0.00 0.00 177.43 176.39 1klg n ASP 219 N -5.32 0.16 -3.56 1.15 5.68 -1.26 -1.89 116.55 111.51 1klg n ASP 219 Ca 0.08 0.55 -0.26 0.00 -0.50 0.00 0.00 54.79 54.66 1klg n ASP 219 Cb 0.33 -0.58 0.05 0.00 -1.14 0.00 0.00 41.12 39.78 1klg n ASP 219 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1klg n ASN 220 N -1.69 -5.65 -4.70 -1.12 5.15 -0.94 -4.87 115.26 101.43 1klg n ASN 220 Ca 0.02 -0.55 -0.43 0.00 -0.60 0.00 0.00 54.58 53.02 1klg n ASN 220 Cb 0.12 -4.50 -0.03 0.00 -0.53 0.00 0.00 39.78 34.84 1klg n ASN 220 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1klg n LYS 221 N -4.61 2.51 -4.38 1.20 0.00 -1.26 -4.91 118.16 106.71 1klg n LYS 221 Ca -0.01 0.90 -0.25 0.00 0.00 0.00 0.00 58.31 58.96 1klg n LYS 221 Cb 0.56 -2.70 -0.12 0.00 0.00 0.00 0.00 35.03 32.78 1klg n LYS 221 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1klg s THR 222 N 0.77 2.12 0.08 3.15 -4.23 -1.26 -1.20 115.64 115.07 1klg s THR 222 Ca 0.74 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 1klg s THR 222 Cb -0.57 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1klg s THR 222 CO 0.38 -0.19 0.05 0.68 -0.54 0.00 0.00 174.62 175.00 1klg s VAL 223 N -1.80 0.17 -0.44 2.29 -7.23 0.81 -4.89 120.40 109.30 1klg s VAL 223 Ca 0.18 -1.69 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 1klg s VAL 223 Cb -0.07 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.26 1klg s VAL 223 CO 0.08 -0.76 1.08 -0.62 -0.31 0.00 0.00 175.10 174.58 1klg s ASP 224 N -2.94 6.66 0.20 4.85 2.15 -1.26 -1.14 116.67 125.19 1klg s ASP 224 Ca 0.11 0.51 -0.12 0.00 0.43 0.00 0.00 52.55 53.49 1klg s ASP 224 Cb 0.07 -2.53 0.25 0.00 -0.30 0.00 0.00 42.92 40.41 1klg s ASP 224 CO -0.07 -1.14 1.67 0.77 -0.17 0.00 0.00 175.17 176.23 1klg h SER 225 N 8.98 -0.27 -0.20 -0.34 4.64 -1.21 -0.29 113.55 124.87 1klg h SER 225 Ca -0.23 0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1klg h SER 225 Cb 1.06 0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1klg h SER 225 CO 1.09 -0.10 0.14 0.11 -0.87 0.00 0.00 176.83 177.19 1klg h LYS 226 N 0.11 0.15 -0.00 4.77 1.57 -1.87 -3.25 116.57 118.05 1klg h LYS 226 Ca 0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1klg h LYS 226 Cb 0.46 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1klg h LYS 226 CO -0.49 0.10 -0.24 -1.13 -0.57 0.00 0.00 179.45 177.12 1klg n SER 227 N -4.50 0.81 -4.81 0.86 3.41 -0.81 -5.03 113.62 103.54 1klg n SER 227 Ca 0.01 -0.90 -0.34 0.00 -0.26 0.00 0.00 58.87 57.38 1klg n SER 227 Cb 0.17 0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 1klg n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1klg s VAL 228 N -1.39 4.35 -0.05 -3.33 0.11 -0.18 -4.00 120.40 115.90 1klg s VAL 228 Ca 0.05 1.55 0.03 0.00 -2.93 0.00 0.00 61.98 60.68 1klg s VAL 228 Cb 0.06 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1klg s VAL 228 CO 0.25 -0.23 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.10 1klg s LYS 229 N -2.97 1.64 -0.09 1.54 1.02 -0.02 -4.42 119.74 116.44 1klg s LYS 229 Ca 0.60 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1klg s LYS 229 Cb -0.11 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 35.77 1klg s LYS 229 CO 0.15 0.15 -0.08 0.42 -0.92 0.00 0.00 175.35 175.08 1klg s ILE 230 N 0.27 3.62 -0.10 2.17 1.09 -0.38 0.20 121.20 128.08 1klg s ILE 230 Ca -0.08 -0.49 -0.00 0.00 -1.10 0.00 0.00 60.65 58.98 1klg s ILE 230 Cb -0.12 -2.50 0.02 0.00 -1.06 0.00 0.00 42.46 38.80 1klg s ILE 230 CO 0.03 0.57 -0.08 -1.61 -0.10 0.00 0.00 174.94 173.75 1klg s GLU 231 N -0.48 1.53 -0.33 2.79 2.02 -0.00 -1.33 118.70 122.90 1klg s GLU 231 Ca 0.07 -0.27 -0.10 0.00 0.02 0.00 0.00 54.97 54.69 1klg s GLU 231 Cb -0.12 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.58 1klg s GLU 231 CO 0.02 -0.22 0.16 0.08 0.02 0.00 0.00 175.26 175.33 1klg s VAL 232 N 1.54 4.56 -0.36 2.63 1.01 0.22 -0.19 120.40 129.80 1klg s VAL 232 Ca 0.02 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1klg s VAL 232 Cb -0.13 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1klg s VAL 232 CO -0.06 -0.02 0.20 -1.00 0.00 0.00 0.00 175.10 174.22 1klg s HIS 233 N 1.59 3.23 0.31 5.22 3.76 -0.54 0.81 115.29 129.67 1klg s HIS 233 Ca 0.04 -0.85 0.10 0.00 -0.15 0.00 0.00 55.06 54.19 1klg s HIS 233 Cb -0.18 -2.43 -0.05 0.00 1.11 0.00 0.00 32.58 31.03 1klg s HIS 233 CO 0.06 -0.60 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.80 1klg s LEU 234 N 1.57 2.94 -0.01 0.89 1.43 0.27 -1.87 118.68 123.90 1klg s LEU 234 Ca 0.03 -0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 52.14 1klg s LEU 234 Cb -0.19 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1klg s LEU 234 CO 0.07 -0.13 0.11 0.42 0.23 0.00 0.00 176.35 177.04 1klg s THR 235 N -2.48 0.06 -0.04 5.49 -4.23 -0.55 -0.84 115.64 113.06 1klg s THR 235 Ca 0.33 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1klg s THR 235 Cb -0.02 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 1klg s THR 235 CO 0.18 -0.28 0.18 0.42 -0.54 0.00 0.00 174.62 174.58 1klg s THR 236 N -0.94 5.45 0.25 3.99 -4.23 -1.26 0.63 115.64 119.54 1klg s THR 236 Ca -0.10 -0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.29 1klg s THR 236 Cb -0.06 -3.51 0.31 0.00 1.34 0.00 0.00 72.50 70.58 1klg s THR 236 CO 0.01 0.40 1.62 0.50 -0.54 0.00 0.00 174.62 176.61 1klg h LYS 237 N 4.13 0.06 0.00 3.99 3.64 -1.91 -2.97 116.57 123.51 1klg h LYS 237 Ca -0.51 -0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.55 1klg h LYS 237 Cb 1.20 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1klg h LYS 237 CO 0.66 0.04 -2.21 0.27 -2.27 0.00 0.00 179.45 175.94 1klg n ASN 238 N -5.40 0.17 0.00 4.20 0.23 -1.26 -5.06 115.26 108.14 1klg n ASN 238 Ca 0.14 0.08 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 1klg n ASN 238 Cb 0.49 0.87 0.00 0.00 -2.08 0.00 0.00 39.78 39.06 1klg n ASN 238 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94