#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjg s PHE 4 N 0.00 3.45 0.14 -1.55 0.40 -1.26 -5.00 117.98 114.16 1mjg s PHE 4 Ca 0.00 0.89 -0.14 0.00 -0.60 0.00 0.00 56.93 57.08 1mjg s PHE 4 Cb 0.00 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.25 1mjg s PHE 4 CO 0.00 0.12 1.64 -0.09 0.70 0.00 0.00 175.22 177.59 1mjg h ARG 5 N 1.89 0.73 -6.14 0.44 2.43 -1.94 -3.37 114.38 108.42 1mjg h ARG 5 Ca -0.47 -0.18 -0.52 0.00 -0.81 0.00 0.00 59.98 58.00 1mjg h ARG 5 Cb 1.18 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 1mjg h ARG 5 CO 0.66 0.73 1.25 0.34 -1.51 0.00 0.00 179.97 181.44 1mjg s ASP 6 N -6.08 5.63 0.64 -3.80 -1.08 -1.26 -4.85 116.67 105.85 1mjg s ASP 6 Ca -0.13 0.22 0.34 0.00 -0.52 0.00 0.00 52.55 52.46 1mjg s ASP 6 Cb 0.11 -2.54 1.91 0.00 -1.46 0.00 0.00 42.92 40.94 1mjg s ASP 6 CO 0.78 -2.12 2.15 -0.07 0.52 0.00 0.00 175.17 176.43 1mjg h LEU 7 N 15.04 0.00 -0.05 -1.34 3.38 -2.02 0.36 115.31 130.68 1mjg h LEU 7 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1mjg h LEU 7 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1mjg h LEU 7 CO 1.21 0.00 -0.05 -1.54 0.09 0.00 0.00 178.44 178.15 1mjg n SER 8 N -3.33 0.14 -4.50 -0.43 3.41 -1.26 -4.68 113.62 102.96 1mjg n SER 8 Ca -0.01 -0.13 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 1mjg n SER 8 Cb 0.25 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1mjg n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1mjg s HIS 9 N -2.65 3.09 0.41 7.33 5.65 0.12 -5.03 115.29 124.20 1mjg s HIS 9 Ca 0.25 -0.18 0.02 0.00 0.25 0.00 0.00 55.06 55.40 1mjg s HIS 9 Cb 0.20 -3.25 -0.01 0.00 -1.18 0.00 0.00 32.58 28.34 1mjg s HIS 9 CO 0.49 -0.84 0.07 0.27 -0.65 0.00 0.00 174.74 174.07 1mjg n ASN 10 N 6.09 2.22 0.00 9.88 0.23 -1.26 -4.65 115.26 127.77 1mjg n ASN 10 Ca -0.03 -2.97 0.06 0.00 -0.53 0.00 0.00 54.58 51.11 1mjg n ASN 10 Cb 0.48 0.62 0.27 0.00 -2.08 0.00 0.00 39.78 39.07 1mjg n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mjg s ARG 12 N -2.87 3.32 0.75 0.00 0.52 -1.26 -4.68 118.95 114.72 1mjg s ARG 12 Ca 0.08 -0.67 -0.11 0.00 -0.52 0.00 0.00 55.73 54.51 1mjg s ARG 12 Cb 0.08 -2.89 0.04 0.00 0.52 0.00 0.00 34.95 32.70 1mjg s ARG 12 CO 0.21 0.51 1.08 -1.25 0.02 0.00 0.00 175.30 175.87 1mjg s PRO 13 N -3.25 2.43 1.18 3.54 0.04 -1.24 -4.97 135.00 132.74 1mjg s PRO 13 Ca 0.34 1.07 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 1mjg s PRO 13 Cb -0.11 -1.92 0.28 0.00 0.04 0.00 0.00 34.50 32.79 1mjg s PRO 13 CO 0.27 -1.49 1.11 -1.54 0.04 0.00 0.00 177.00 175.40 1mjg s SER 14 N -3.54 1.08 -0.00 6.66 1.04 -1.26 -4.91 113.70 112.76 1mjg s SER 14 Ca 0.60 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.71 1mjg s SER 14 Cb -0.16 -0.92 0.06 0.00 0.10 0.00 0.00 66.02 65.10 1mjg s SER 14 CO 0.56 -4.03 1.01 -0.62 0.98 0.00 0.00 173.24 171.14 1mjg n GLU 15 N -4.70 1.17 -1.66 4.02 -0.58 -1.26 -4.92 120.64 112.71 1mjg n GLU 15 Ca 0.13 -0.24 -0.37 0.00 -0.42 0.00 0.00 57.16 56.25 1mjg n GLU 15 Cb 0.59 -1.10 0.06 0.00 -0.57 0.00 0.00 31.44 30.42 1mjg n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mjg n ALA 16 N -0.27 0.59 -1.77 0.62 0.00 -1.26 -4.92 120.51 113.50 1mjg n ALA 16 Ca 0.02 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 1mjg n ALA 16 Cb 0.08 -2.20 -0.01 0.00 0.00 0.00 0.00 19.45 17.32 1mjg n ALA 16 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mjg s PRO 17 N -3.00 4.00 0.32 0.00 0.04 -1.26 -4.93 135.00 130.18 1mjg s PRO 17 Ca 0.78 1.92 0.15 0.00 0.04 0.00 0.00 61.00 63.89 1mjg s PRO 17 Cb -0.40 -2.68 0.49 0.00 0.04 0.00 0.00 34.50 31.95 1mjg s PRO 17 CO 0.44 -0.39 1.65 0.00 0.04 0.00 0.00 177.00 178.75 1mjg h ARG 18 N 2.60 0.00 -4.73 4.56 2.47 -1.94 -3.42 114.38 113.92 1mjg h ARG 18 Ca -0.49 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.63 1mjg h ARG 18 Cb 1.24 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.21 1mjg h ARG 18 CO 0.62 0.49 -0.84 0.08 0.56 0.00 0.00 179.97 180.89 1mjg s VAL 19 N -3.51 1.57 -0.05 2.04 1.01 -1.26 -4.63 120.40 115.56 1mjg s VAL 19 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1mjg s VAL 19 Cb 0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1mjg s VAL 19 CO 0.72 0.46 0.72 -0.04 0.00 0.00 0.00 175.10 176.96 1mjg s MET 20 N 1.22 4.45 -0.84 2.72 -1.94 -0.77 -4.43 119.30 119.71 1mjg s MET 20 Ca -0.01 0.92 -0.12 0.00 -1.71 0.00 0.00 55.69 54.77 1mjg s MET 20 Cb -0.14 -3.44 0.02 0.00 2.01 0.00 0.00 34.83 33.28 1mjg s MET 20 CO -0.06 0.08 0.54 0.39 -0.01 0.00 0.00 175.02 175.96 1mjg n GLU 21 N 3.68 -0.92 0.18 2.03 1.02 -1.26 -4.78 120.64 120.58 1mjg n GLU 21 Ca -0.01 0.37 0.16 0.00 -0.02 0.00 0.00 57.16 57.66 1mjg n GLU 21 Cb 0.51 -1.90 0.59 0.00 -0.02 0.00 0.00 31.44 30.63 1mjg n GLU 21 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1mjg h PRO 22 N -0.78 0.00 -0.15 3.49 0.13 -1.96 -0.14 132.00 132.59 1mjg h PRO 22 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1mjg h PRO 22 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1mjg h PRO 22 CO 0.36 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.76 1mjg n LYS 23 N -3.11 2.31 -3.31 0.86 4.76 -1.26 -4.61 118.16 113.79 1mjg n LYS 23 Ca 0.05 -2.02 -0.40 0.00 -2.87 0.00 0.00 58.31 53.07 1mjg n LYS 23 Cb 0.74 -1.46 -0.08 0.00 -1.84 0.00 0.00 35.03 32.38 1mjg n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1mjg s ASN 24 N -1.77 6.29 0.36 4.39 3.84 -0.07 -4.97 114.94 123.02 1mjg s ASN 24 Ca 0.31 0.11 0.24 0.00 0.21 0.00 0.00 52.86 53.73 1mjg s ASN 24 Cb 0.20 -2.24 0.55 0.00 -0.55 0.00 0.00 41.25 39.21 1mjg s ASN 24 CO 0.30 -0.34 1.68 0.08 -2.79 0.00 0.00 177.10 176.03 1mjg h ARG 25 N 8.31 0.00 -2.38 0.43 0.11 -1.86 -3.35 114.38 115.64 1mjg h ARG 25 Ca -0.29 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.26 1mjg h ARG 25 Cb 1.14 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.13 1mjg h ARG 25 CO 0.71 0.00 1.48 -0.25 0.10 0.00 0.00 179.97 182.01 1mjg n ASP 26 N -2.80 7.09 -3.43 0.08 8.00 -1.26 -4.77 116.55 119.46 1mjg n ASP 26 Ca 0.04 -2.87 -0.40 0.00 0.71 0.00 0.00 54.79 52.27 1mjg n ASP 26 Cb 0.48 -1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.18 1mjg n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1mjg n ARG 27 N 2.08 3.42 -3.48 -1.24 1.74 -1.26 -4.85 116.66 113.08 1mjg n ARG 27 Ca 0.58 -2.30 -0.12 0.00 -0.77 0.00 0.00 57.85 55.24 1mjg n ARG 27 Cb 0.49 -2.93 -0.03 0.00 -1.02 0.00 0.00 32.46 28.97 1mjg n ARG 27 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1mjg s THR 28 N 2.50 0.00 -0.43 0.55 -1.32 -1.26 -0.44 115.64 115.24 1mjg s THR 28 Ca 0.63 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.16 1mjg s THR 28 Cb 0.17 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.28 1mjg s THR 28 CO -0.07 0.00 1.07 1.33 -2.21 0.00 0.00 174.62 174.74 1mjg n VAL 29 N 0.05 0.91 -2.93 5.08 0.24 -0.95 -4.84 118.33 115.89 1mjg n VAL 29 Ca -0.15 -0.96 -0.42 0.00 -2.04 0.00 0.00 64.34 60.77 1mjg n VAL 29 Cb 0.62 0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 1mjg n VAL 29 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mjg s ASP 30 N -0.95 6.54 0.23 -1.34 -1.08 -1.26 -4.95 116.67 113.87 1mjg s ASP 30 Ca 0.10 0.30 -0.06 0.00 -0.52 0.00 0.00 52.55 52.36 1mjg s ASP 30 Cb 0.05 -2.41 0.40 0.00 -1.46 0.00 0.00 42.92 39.51 1mjg s ASP 30 CO 0.07 -0.80 1.70 -0.65 0.52 0.00 0.00 175.17 176.01 1mjg h PRO 31 N 8.60 0.30 -0.87 4.34 0.11 -1.98 -1.35 132.00 141.15 1mjg h PRO 31 Ca -0.24 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.87 1mjg h PRO 31 Cb 1.09 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1mjg h PRO 31 CO 0.94 0.20 0.57 0.00 -0.21 0.00 0.00 178.00 179.50 1mjg h ALA 32 N 1.55 1.13 -0.47 -0.75 0.00 -1.95 -1.57 119.26 117.22 1mjg h ALA 32 Ca 0.38 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1mjg h ALA 32 Cb 0.60 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1mjg h ALA 32 CO -0.44 0.45 -0.11 0.28 0.00 0.00 0.00 179.25 179.43 1mjg h VAL 33 N 1.13 1.27 -0.65 0.00 2.07 -1.70 -1.58 116.25 116.80 1mjg h VAL 33 Ca 0.34 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1mjg h VAL 33 Cb -0.05 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1mjg h VAL 33 CO -0.10 0.43 0.42 -0.07 0.02 0.00 0.00 177.57 178.27 1mjg h LEU 34 N 0.74 0.70 -0.37 2.57 3.38 -0.91 0.74 115.31 122.16 1mjg h LEU 34 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1mjg h LEU 34 Cb 0.66 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1mjg h LEU 34 CO 0.05 0.50 0.19 -0.33 0.09 0.00 0.00 178.44 178.93 1mjg h GLU 35 N 0.83 0.52 -0.02 1.13 5.08 -1.09 -2.70 114.58 118.34 1mjg h GLU 35 Ca 0.25 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1mjg h GLU 35 Cb -0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1mjg h GLU 35 CO -0.08 0.45 -0.33 0.52 -1.00 0.00 0.00 179.01 178.57 1mjg h MET 36 N 0.46 0.04 0.00 2.33 2.86 -0.83 -2.08 114.93 117.71 1mjg h MET 36 Ca 0.13 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1mjg h MET 36 Cb 0.09 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1mjg h MET 36 CO -0.02 0.37 -0.06 -0.07 1.06 0.00 0.00 176.91 178.18 1mjg h LEU 37 N 0.04 0.00 -0.16 1.22 -0.00 -0.53 0.89 115.31 116.77 1mjg h LEU 37 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 1mjg h LEU 37 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1mjg h LEU 37 CO 0.04 0.06 -0.32 0.58 -0.00 0.00 0.00 178.44 178.81 1mjg h VAL 38 N 0.00 1.35 -0.21 1.22 2.07 -1.29 -2.53 116.25 116.87 1mjg h VAL 38 Ca -0.00 -1.58 -0.16 0.00 0.82 0.00 0.00 66.70 65.79 1mjg h VAL 38 Cb 0.15 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1mjg h VAL 38 CO 0.01 0.48 -0.52 0.50 0.02 0.00 0.00 177.57 178.06 1mjg h LYS 39 N 0.13 0.58 -0.52 1.57 3.64 -1.25 -2.30 116.57 118.42 1mjg h LYS 39 Ca 0.00 -0.35 -0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1mjg h LYS 39 Cb 0.92 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1mjg h LYS 39 CO 0.07 0.96 -0.02 0.66 -2.27 0.00 0.00 179.45 178.85 1mjg h SER 40 N 0.45 0.88 -0.65 4.20 4.64 -0.90 0.26 113.55 122.42 1mjg h SER 40 Ca 0.02 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 1mjg h SER 40 Cb 1.06 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 1mjg h SER 40 CO 0.10 0.95 0.23 0.50 -0.87 0.00 0.00 176.83 177.73 1mjg h LYS 41 N 0.83 1.00 -0.40 4.77 3.64 -1.35 0.60 116.57 125.66 1mjg h LYS 41 Ca 0.15 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1mjg h LYS 41 Cb 0.52 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1mjg h LYS 41 CO 0.03 0.86 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.50 1mjg h ASP 42 N 0.94 0.80 0.00 4.20 5.19 -0.88 -2.48 116.42 124.18 1mjg h ASP 42 Ca 0.21 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1mjg h ASP 42 Cb 0.26 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1mjg h ASP 42 CO -0.01 0.99 0.00 0.47 -3.12 0.00 0.00 179.24 177.57 1mjg n ASP 43 N -4.31 0.00 -3.74 6.45 8.00 0.85 -4.87 116.55 118.93 1mjg n ASP 43 Ca -0.01 -1.00 -0.26 0.00 0.71 0.00 0.00 54.79 54.23 1mjg n ASP 43 Cb 0.38 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1mjg n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mjg n LYS 44 N -0.90 -6.26 -4.02 -1.24 5.02 -0.52 -4.98 118.16 105.27 1mjg n LYS 44 Ca 0.16 0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 56.80 1mjg n LYS 44 Cb 0.07 -5.59 -0.09 0.00 -0.02 0.00 0.00 35.03 29.41 1mjg n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mjg s VAL 45 N -3.38 4.87 -0.05 -0.18 1.01 0.09 -5.03 120.40 117.74 1mjg s VAL 45 Ca 0.47 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 1mjg s VAL 45 Cb -0.22 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1mjg s VAL 45 CO 0.79 0.50 0.62 -0.63 0.00 0.00 0.00 175.10 176.38 1mjg s ILE 46 N -0.00 5.00 0.39 2.22 1.01 -1.26 -4.56 121.20 124.00 1mjg s ILE 46 Ca 0.06 1.27 0.04 0.00 0.00 0.00 0.00 60.65 62.03 1mjg s ILE 46 Cb -0.12 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1mjg s ILE 46 CO 0.01 0.34 0.06 0.42 0.00 0.00 0.00 174.94 175.77 1mjg s THR 47 N 0.32 1.15 0.53 2.92 -4.23 -1.26 -4.93 115.64 110.14 1mjg s THR 47 Ca 0.33 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.09 1mjg s THR 47 Cb -0.18 -2.62 0.39 0.00 1.34 0.00 0.00 72.50 71.44 1mjg s THR 47 CO 0.16 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.25 1mjg h ALA 48 N 1.87 2.43 -0.39 3.99 0.00 -1.98 0.41 119.26 125.60 1mjg h ALA 48 Ca -0.40 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1mjg h ALA 48 Cb 1.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1mjg h ALA 48 CO 0.69 -0.60 -0.22 0.74 0.00 0.00 0.00 179.25 179.85 1mjg h PHE 49 N 0.00 0.86 -0.04 0.00 -1.00 -1.88 -0.80 116.94 114.09 1mjg h PHE 49 Ca 0.23 -0.19 -0.25 0.00 2.81 0.00 0.00 57.97 60.57 1mjg h PHE 49 Cb 0.94 -0.21 0.02 0.00 3.61 0.00 0.00 35.95 40.31 1mjg h PHE 49 CO 0.00 0.91 -0.94 -0.44 -1.61 0.00 0.00 178.31 176.23 1mjg h ASP 50 N 0.67 0.90 -0.47 2.17 3.32 -1.28 -3.02 116.42 118.72 1mjg h ASP 50 Ca 0.09 -0.71 -0.04 0.00 0.02 0.00 0.00 57.03 56.39 1mjg h ASP 50 Cb 0.72 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1mjg h ASP 50 CO 0.06 1.48 0.15 0.03 -1.72 0.00 0.00 179.24 179.24 1mjg h ARG 51 N 0.40 0.79 -0.14 3.56 3.08 -1.08 -1.40 114.38 119.59 1mjg h ARG 51 Ca -0.11 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1mjg h ARG 51 Cb 1.59 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 1mjg h ARG 51 CO 0.19 0.69 0.08 0.35 -1.07 0.00 0.00 179.97 180.21 1mjg h PHE 52 N 0.76 0.18 -0.70 3.04 3.57 -1.12 -2.13 116.94 120.54 1mjg h PHE 52 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1mjg h PHE 52 Cb 0.25 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1mjg h PHE 52 CO 0.01 0.17 0.46 0.28 -2.23 0.00 0.00 178.31 177.00 1mjg h VAL 53 N 0.15 1.18 0.00 1.41 2.07 -1.35 -2.20 116.25 117.51 1mjg h VAL 53 Ca 0.05 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1mjg h VAL 53 Cb 0.04 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1mjg h VAL 53 CO -0.01 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.71 1mjg h ALA 54 N 1.25 1.55 0.00 1.67 0.00 -0.94 -2.41 119.26 120.38 1mjg h ALA 54 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1mjg h ALA 54 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1mjg h ALA 54 CO -0.05 0.06 -0.00 1.96 0.00 0.00 0.00 179.25 181.21 1mjg h GLN 55 N 0.00 0.00 -6.72 0.00 1.08 -0.74 -3.46 115.11 105.27 1mjg h GLN 55 Ca -0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1mjg h GLN 55 Cb 0.11 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.59 1mjg h GLN 55 CO 0.01 0.00 0.68 -0.65 -0.95 0.00 0.00 178.83 177.91 1mjg s GLN 56 N -3.20 4.36 0.17 1.46 -1.52 -0.91 -3.45 119.66 116.56 1mjg s GLN 56 Ca 0.07 2.13 -0.15 0.00 -1.95 0.00 0.00 55.36 55.46 1mjg s GLN 56 Cb 0.06 -3.16 -0.07 0.00 -0.22 0.00 0.00 33.01 29.61 1mjg s GLN 56 CO 0.66 -0.29 0.59 -1.25 -0.25 0.00 0.00 175.29 174.76 1mjg s PRO 57 N -0.35 4.03 0.26 2.91 0.04 -1.26 -5.08 135.00 135.55 1mjg s PRO 57 Ca 0.57 0.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.01 1mjg s PRO 57 Cb -0.38 -2.91 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 1mjg s PRO 57 CO 0.41 0.45 0.70 -0.65 0.04 0.00 0.00 177.00 177.95 1mjg s GLN 58 N -2.00 4.08 -0.24 4.56 -0.21 -1.22 -4.97 119.66 119.66 1mjg s GLN 58 Ca 0.39 0.70 -0.37 0.00 0.02 0.00 0.00 55.36 56.10 1mjg s GLN 58 Cb -0.15 -2.66 -0.13 0.00 1.00 0.00 0.00 33.01 31.07 1mjg s GLN 58 CO 0.19 0.29 1.90 0.00 -2.12 0.00 0.00 175.29 175.55 1mjg h LYS 60 N 9.11 0.63 -0.07 0.00 3.64 -1.98 -1.18 116.57 126.72 1mjg h LYS 60 Ca -0.42 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1mjg h LYS 60 Cb 1.31 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1mjg h LYS 60 CO 0.97 0.89 0.04 0.82 -2.27 0.00 0.00 179.45 179.90 1mjg h ILE 61 N 0.53 1.08 -0.48 2.00 2.04 -1.98 -0.94 117.51 119.76 1mjg h ILE 61 Ca 0.06 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 1mjg h ILE 61 Cb 0.85 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1mjg h ILE 61 CO 0.07 0.07 -0.06 1.23 0.00 0.00 0.00 178.15 179.46 1mjg h GLY 62 N 0.02 0.91 1.42 5.37 0.00 -1.92 -2.60 103.07 106.26 1mjg h GLY 62 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.72 1mjg h GLY 62 CO -0.00 0.61 0.33 -1.82 0.00 0.00 0.00 176.54 175.66 1mjg h TYR 63 N 0.77 0.56 -0.02 5.60 3.20 -0.84 -1.53 116.97 124.71 1mjg h TYR 63 Ca 0.14 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1mjg h TYR 63 Cb 0.55 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1mjg h TYR 63 CO 0.03 0.34 -0.01 0.39 -1.64 0.00 0.00 178.16 177.27 1mjg n GLU 64 N -4.47 1.68 -1.08 1.82 1.02 -0.39 -4.01 120.64 115.22 1mjg n GLU 64 Ca 0.05 -1.01 -0.03 0.00 -0.02 0.00 0.00 57.16 56.15 1mjg n GLU 64 Cb 0.13 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1mjg n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjg n GLY 65 N 1.19 0.58 2.00 0.62 0.00 -0.58 -0.71 105.19 108.30 1mjg n GLY 65 Ca 0.18 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1mjg n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mjg n ILE 66 N -2.80 2.96 -4.44 -0.61 -5.35 -1.10 -3.43 119.36 104.60 1mjg n ILE 66 Ca -0.03 -1.71 -0.33 0.00 -0.27 0.00 0.00 62.75 60.41 1mjg n ILE 66 Cb 0.15 -0.37 -0.16 0.00 -1.74 0.00 0.00 39.64 37.52 1mjg n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mjg n ARG 69 N 3.15 1.79 0.00 0.00 1.74 -1.26 -1.53 116.66 120.55 1mjg n ARG 69 Ca -0.18 -3.33 0.15 0.00 -0.77 0.00 0.00 57.85 53.72 1mjg n ARG 69 Cb 0.53 -1.44 0.78 0.00 -1.02 0.00 0.00 32.46 31.31 1mjg n ARG 69 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1mjg n PHE 70 N -0.45 0.00 -3.89 -1.55 3.01 -1.26 -4.88 117.46 108.44 1mjg n PHE 70 Ca 0.16 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.53 1mjg n PHE 70 Cb 0.90 -0.20 -0.04 0.00 -0.01 0.00 0.00 39.48 40.13 1mjg n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mjg n MET 72 N -0.37 0.70 0.15 0.00 2.81 -1.26 -2.60 117.12 116.55 1mjg n MET 72 Ca -0.05 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.96 1mjg n MET 72 Cb 0.62 -1.33 0.14 0.00 -0.71 0.00 0.00 33.22 31.94 1mjg n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mjg h ALA 73 N 3.05 0.79 -3.03 3.04 0.00 -1.98 -3.46 119.26 117.68 1mjg h ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mjg h ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mjg h ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1mjg n GLY 74 N 1.18 0.11 3.77 0.00 0.00 -1.07 -4.83 105.19 104.34 1mjg n GLY 74 Ca 0.03 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 1mjg n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mjg s PRO 75 N 0.71 3.84 0.16 1.61 0.02 -1.26 -5.07 135.00 135.00 1mjg s PRO 75 Ca 0.00 2.19 0.10 0.00 0.02 0.00 0.00 61.00 63.32 1mjg s PRO 75 Cb 0.00 -2.68 -0.04 0.00 0.02 0.00 0.00 34.50 31.80 1mjg s PRO 75 CO 0.00 -0.61 -0.21 0.00 -0.33 0.00 0.00 177.00 175.85 1mjg s ARG 77 N -2.42 0.34 -0.26 0.00 1.70 -1.26 -0.48 118.95 116.57 1mjg s ARG 77 Ca 0.19 -0.02 -0.29 0.00 -0.47 0.00 0.00 55.73 55.14 1mjg s ARG 77 Cb -0.09 0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1mjg s ARG 77 CO 0.10 -0.07 1.27 0.42 -1.08 0.00 0.00 175.30 175.94 1mjg s ILE 78 N -0.54 4.22 -0.05 4.99 -1.09 -0.86 -4.88 121.20 122.99 1mjg s ILE 78 Ca -0.06 1.41 0.22 0.00 -2.23 0.00 0.00 60.65 59.99 1mjg s ILE 78 Cb -0.04 -4.12 -0.32 0.00 -1.58 0.00 0.00 42.46 36.40 1mjg s ILE 78 CO 0.01 -0.36 0.50 0.29 -1.23 0.00 0.00 174.94 174.15 1mjg n LYS 79 N 7.05 0.66 -3.90 2.79 5.02 -0.10 -5.03 118.16 124.64 1mjg n LYS 79 Ca 0.14 -0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.17 1mjg n LYS 79 Cb 0.46 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1mjg n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mjg s ALA 80 N -3.47 -0.67 -0.47 7.82 0.00 -1.18 -4.99 121.76 118.80 1mjg s ALA 80 Ca -0.08 -0.68 0.24 0.00 0.00 0.00 0.00 51.96 51.44 1mjg s ALA 80 Cb 0.13 0.88 0.35 0.00 0.00 0.00 0.00 23.12 24.48 1mjg s ALA 80 CO 0.90 -0.96 1.48 1.79 0.00 0.00 0.00 175.76 178.97 1mjg h THR 81 N 2.07 0.00 -3.97 0.00 1.35 -1.91 -3.34 112.91 107.10 1mjg h THR 81 Ca -0.25 -0.85 -0.16 0.00 -0.55 0.00 0.00 66.41 64.60 1mjg h THR 81 Cb 1.25 1.69 -0.10 0.00 -1.73 0.00 0.00 68.15 69.26 1mjg h THR 81 CO 0.32 0.00 -0.24 1.51 -0.25 0.00 0.00 175.52 176.86 1mjg s ASP 82 N -5.50 0.24 0.00 5.36 -4.77 -1.26 -4.88 116.67 105.86 1mjg s ASP 82 Ca 0.06 -1.18 0.00 0.00 -3.30 0.00 0.00 52.55 48.13 1mjg s ASP 82 Cb 0.08 0.57 0.00 0.00 -1.09 0.00 0.00 42.92 42.48 1mjg s ASP 82 CO 0.69 -1.13 0.00 0.61 0.70 0.00 0.00 175.17 176.04 1mjg n GLY 83 N -0.41 -0.37 0.11 2.12 0.00 -1.26 -4.12 105.19 101.26 1mjg n GLY 83 Ca -0.00 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.28 1mjg n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mjg n PRO 84 N -0.40 0.08 -0.30 1.61 -0.04 -1.26 -1.65 135.00 133.04 1mjg n PRO 84 Ca 0.00 0.55 0.09 0.00 -0.04 0.00 0.00 63.50 64.10 1mjg n PRO 84 Cb 0.00 -1.87 0.24 0.00 -0.04 0.00 0.00 33.50 31.84 1mjg n PRO 84 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mjg n GLY 85 N -1.33 2.70 0.61 0.55 0.00 -1.26 -4.43 105.19 102.03 1mjg n GLY 85 Ca -0.01 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1mjg n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mjg n SER 86 N 1.01 1.85 -4.06 1.61 3.41 -0.66 -0.92 113.62 115.87 1mjg n SER 86 Ca 0.18 -1.68 -0.09 0.00 -0.26 0.00 0.00 58.87 57.02 1mjg n SER 86 Cb 0.56 -0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 1mjg n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1mjg s ARG 87 N -1.85 1.01 1.07 4.33 0.52 -1.26 -4.44 118.95 118.33 1mjg s ARG 87 Ca 0.34 -1.30 -0.16 0.00 -0.52 0.00 0.00 55.73 54.10 1mjg s ARG 87 Cb 0.19 0.30 0.22 0.00 0.52 0.00 0.00 34.95 36.19 1mjg s ARG 87 CO 0.29 -0.32 1.13 0.20 0.02 0.00 0.00 175.30 176.62 1mjg s GLY 88 N -3.00 1.60 0.24 -3.53 0.00 -0.16 -4.83 107.32 97.63 1mjg s GLY 88 Ca 0.20 -0.73 -0.06 0.00 0.00 0.00 0.00 44.72 44.12 1mjg s GLY 88 CO 0.00 0.00 1.89 -2.22 0.00 0.00 0.00 173.10 172.78 1mjg h ILE 89 N -2.09 1.17 0.00 0.90 2.04 -1.94 0.05 117.51 117.63 1mjg h ILE 89 Ca -0.49 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1mjg h ILE 89 Cb 1.31 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1mjg h ILE 89 CO 0.47 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.83 1mjg n GLY 91 N 0.36 0.39 3.67 0.00 0.00 0.00 -4.92 105.19 104.70 1mjg n GLY 91 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 1mjg n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 92 N -1.88 1.26 -1.64 4.61 0.00 -1.26 -4.52 120.51 117.08 1mjg n ALA 92 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.57 1mjg n ALA 92 Cb 0.00 -2.32 0.09 0.00 0.00 0.00 0.00 19.45 17.22 1mjg n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1mjg s SER 93 N 0.59 4.59 0.26 0.00 0.01 -1.26 -0.99 113.70 116.91 1mjg s SER 93 Ca 0.73 1.20 -0.05 0.00 1.31 0.00 0.00 55.95 59.14 1mjg s SER 93 Cb -0.66 -1.91 0.31 0.00 0.21 0.00 0.00 66.02 63.97 1mjg s SER 93 CO 0.44 -1.89 1.92 0.00 0.41 0.00 0.00 173.24 174.11 1mjg h ALA 94 N -1.04 1.32 -0.21 1.44 0.00 -1.94 -1.97 119.26 116.87 1mjg h ALA 94 Ca -0.47 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1mjg h ALA 94 Cb 1.28 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1mjg h ALA 94 CO 0.61 0.59 -0.11 0.11 0.00 0.00 0.00 179.25 180.45 1mjg h TRP 95 N 1.30 0.36 -0.28 0.00 0.09 -1.93 -1.35 115.95 114.15 1mjg h TRP 95 Ca 0.39 -0.04 -0.12 0.00 0.09 0.00 0.00 58.89 59.21 1mjg h TRP 95 Cb -0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 29.16 29.08 1mjg h TRP 95 CO -0.00 0.46 -0.28 1.15 0.09 0.00 0.00 178.44 179.86 1mjg h THR 96 N 0.33 1.30 -0.67 0.12 2.02 -1.70 -0.19 112.91 114.11 1mjg h THR 96 Ca 0.07 -1.44 -0.07 0.00 0.77 0.00 0.00 66.41 65.74 1mjg h THR 96 Cb 0.41 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1mjg h THR 96 CO 0.02 0.46 0.16 0.40 0.37 0.00 0.00 175.52 176.94 1mjg h ILE 97 N 0.41 1.26 -0.32 3.11 2.04 -1.09 -0.00 117.51 122.92 1mjg h ILE 97 Ca 0.04 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 1mjg h ILE 97 Cb 0.84 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1mjg h ILE 97 CO 0.07 0.36 -0.06 0.58 0.00 0.00 0.00 178.15 179.10 1mjg h VAL 98 N 1.02 1.28 -0.77 1.67 2.07 -1.19 -2.01 116.25 118.32 1mjg h VAL 98 Ca 0.21 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.69 1mjg h VAL 98 Cb 0.36 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1mjg h VAL 98 CO 0.00 0.35 0.47 0.00 0.02 0.00 0.00 177.57 178.41 1mjg h ALA 99 N 0.81 1.03 -0.39 1.67 0.00 -0.61 -0.73 119.26 121.04 1mjg h ALA 99 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 99 Cb 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1mjg h ALA 99 CO 0.03 0.22 0.21 0.00 0.00 0.00 0.00 179.25 179.71 1mjg h ARG 100 N 0.88 0.54 -0.15 0.00 3.08 -0.84 0.26 114.38 118.16 1mjg h ARG 100 Ca 0.33 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 1mjg h ARG 100 Cb 0.11 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1mjg h ARG 100 CO -0.15 0.44 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.26 1mjg h ASN 101 N 0.50 0.27 0.50 7.04 2.35 -0.68 0.18 115.58 125.73 1mjg h ASN 101 Ca 0.14 -0.35 -0.14 0.00 -0.55 0.00 0.00 56.30 55.40 1mjg h ASN 101 Cb 0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1mjg h ASN 101 CO -0.02 0.55 -0.63 1.62 -1.65 0.00 0.00 177.43 177.30 1mjg h VAL 102 N -0.02 1.42 -0.61 2.81 3.04 -1.18 -2.91 116.25 118.80 1mjg h VAL 102 Ca 0.04 -2.10 -0.04 0.00 -1.01 0.00 0.00 66.70 63.59 1mjg h VAL 102 Cb 0.43 2.11 -0.03 0.00 -2.01 0.00 0.00 31.29 31.78 1mjg h VAL 102 CO 0.01 0.61 0.22 1.23 -1.01 0.00 0.00 177.57 178.64 1mjg h GLY 103 N 1.69 0.96 0.98 3.17 0.00 -0.28 -1.80 103.07 107.79 1mjg h GLY 103 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1mjg h GLY 103 CO 0.09 0.48 0.26 -2.00 0.00 0.00 0.00 176.54 175.37 1mjg h LEU 104 N 0.88 0.59 -0.35 3.11 5.85 -0.45 0.71 115.31 125.64 1mjg h LEU 104 Ca 0.20 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1mjg h LEU 104 Cb 0.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1mjg h LEU 104 CO -0.02 0.51 0.15 0.24 -0.34 0.00 0.00 178.44 178.98 1mjg h MET 105 N 0.63 0.53 -0.90 1.25 2.86 -1.43 -1.90 114.93 115.97 1mjg h MET 105 Ca 0.17 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1mjg h MET 105 Cb 0.04 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.56 1mjg h MET 105 CO -0.03 0.51 0.57 0.82 1.06 0.00 0.00 176.91 179.84 1mjg h ILE 106 N 0.43 1.07 -0.42 -1.22 2.04 -1.00 -2.07 117.51 116.34 1mjg h ILE 106 Ca 0.12 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1mjg h ILE 106 Cb 0.17 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 1mjg h ILE 106 CO -0.01 0.19 0.23 -0.07 0.00 0.00 0.00 178.15 178.49 1mjg h LEU 107 N 1.04 0.53 -1.21 1.44 3.38 -0.45 -0.29 115.31 119.76 1mjg h LEU 107 Ca 0.39 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1mjg h LEU 107 Cb 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1mjg h LEU 107 CO -0.17 0.48 -0.07 0.71 0.09 0.00 0.00 178.44 179.48 1mjg h THR 108 N 0.55 1.21 -0.09 0.22 1.35 -0.92 0.86 112.91 116.09 1mjg h THR 108 Ca 0.15 -0.87 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 1mjg h THR 108 Cb 0.07 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1mjg h THR 108 CO -0.02 0.29 -0.05 1.23 -0.25 0.00 0.00 175.52 176.71 1mjg h GLY 109 N 0.85 0.21 1.00 5.82 0.00 -0.99 -1.19 103.07 108.77 1mjg h GLY 109 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1mjg h GLY 109 CO 0.02 0.18 0.35 0.00 0.00 0.00 0.00 176.54 177.09 1mjg h ALA 110 N 0.62 0.78 -0.36 3.60 0.00 -0.80 -0.92 119.26 122.18 1mjg h ALA 110 Ca 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1mjg h ALA 110 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1mjg h ALA 110 CO 0.02 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.49 1mjg h ALA 111 N 1.17 1.24 -0.01 0.00 0.00 -0.80 0.19 119.26 121.06 1mjg h ALA 111 Ca 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mjg h ALA 111 Cb 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1mjg h ALA 111 CO -0.04 0.50 -0.00 0.00 0.00 0.00 0.00 179.25 179.71 1mjg h ALA 112 N 1.40 0.01 -0.38 0.00 0.00 -0.73 -1.06 119.26 118.50 1mjg h ALA 112 Ca 0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1mjg h ALA 112 Cb 0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1mjg h ALA 112 CO 0.02 -0.28 -0.02 0.45 0.00 0.00 0.00 179.25 179.42 1mjg h HIS 113 N -0.38 0.65 -0.38 0.00 3.86 -1.04 -2.32 115.15 115.54 1mjg h HIS 113 Ca 0.00 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1mjg h HIS 113 Cb 0.42 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1mjg h HIS 113 CO 0.07 0.64 0.16 0.00 0.86 0.00 0.00 177.93 179.65 1mjg h GLU 115 N 0.48 0.99 0.21 0.00 4.22 -0.97 0.41 114.58 119.91 1mjg h GLU 115 Ca 0.13 -0.21 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 1mjg h GLU 115 Cb 0.18 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1mjg h GLU 115 CO -0.01 0.86 -0.10 1.25 -2.18 0.00 0.00 179.01 178.83 1mjg h HIS 116 N 0.95 -0.26 -0.59 0.92 2.76 -1.11 0.11 115.15 117.93 1mjg h HIS 116 Ca 0.21 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 1mjg h HIS 116 Cb 0.31 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1mjg h HIS 116 CO 0.02 -0.11 0.05 0.78 -1.30 0.00 0.00 177.93 177.37 1mjg h GLY 117 N -0.35 1.06 1.00 5.26 0.00 -0.95 -2.06 103.07 107.04 1mjg h GLY 117 Ca -0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1mjg h GLY 117 CO 0.05 0.67 0.04 -0.57 0.00 0.00 0.00 176.54 176.73 1mjg h ASN 118 N 0.92 0.83 -0.26 0.19 -0.00 -0.80 -0.75 115.58 115.71 1mjg h ASN 118 Ca 0.18 -0.28 -0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1mjg h ASN 118 Cb 0.47 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 1mjg h ASN 118 CO 0.02 0.91 0.15 -0.74 -0.00 0.00 0.00 177.43 177.77 1mjg h HIS 119 N 0.72 0.34 -0.31 0.67 2.76 -0.59 -0.56 115.15 118.19 1mjg h HIS 119 Ca 0.15 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 1mjg h HIS 119 Cb 0.46 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1mjg h HIS 119 CO 0.03 0.26 -0.32 0.82 -1.30 0.00 0.00 177.93 177.42 1mjg h ILE 120 N 0.32 1.28 -0.68 6.26 2.04 -1.28 -1.00 117.51 124.45 1mjg h ILE 120 Ca 0.09 -1.46 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 1mjg h ILE 120 Cb 0.02 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1mjg h ILE 120 CO -0.02 0.47 0.30 0.00 0.00 0.00 0.00 178.15 178.91 1mjg h ALA 121 N 1.08 0.88 -0.43 1.87 0.00 -0.90 0.20 119.26 121.96 1mjg h ALA 121 Ca 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mjg h ALA 121 Cb 0.83 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1mjg h ALA 121 CO 0.07 0.47 0.25 1.25 0.00 0.00 0.00 179.25 181.29 1mjg h HIS 122 N 0.95 0.58 -0.76 0.00 -0.00 -0.86 -2.56 115.15 112.50 1mjg h HIS 122 Ca 0.23 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1mjg h HIS 122 Cb 0.16 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.34 1mjg h HIS 122 CO 0.01 0.42 0.45 0.00 -0.00 0.00 0.00 177.93 178.81 1mjg h ALA 123 N 1.11 0.97 -0.72 5.26 0.00 -0.57 -1.24 119.26 124.07 1mjg h ALA 123 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1mjg h ALA 123 Cb 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1mjg h ALA 123 CO -0.03 0.45 0.46 1.25 0.00 0.00 0.00 179.25 181.38 1mjg h LEU 124 N 1.04 0.75 -0.30 0.00 5.85 -0.71 0.22 115.31 122.16 1mjg h LEU 124 Ca 0.27 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 1mjg h LEU 124 Cb -0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1mjg h LEU 124 CO -0.05 0.52 -0.14 0.58 -0.34 0.00 0.00 178.44 179.01 1mjg h VAL 125 N 0.89 1.29 -0.50 1.05 2.07 -1.16 -0.55 116.25 119.34 1mjg h VAL 125 Ca 0.29 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1mjg h VAL 125 Cb 0.02 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1mjg h VAL 125 CO -0.11 0.40 0.29 -0.33 0.02 0.00 0.00 177.57 177.83 1mjg h GLU 126 N 0.39 0.56 0.07 1.57 4.39 -0.88 -0.35 114.58 120.32 1mjg h GLU 126 Ca 0.07 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1mjg h GLU 126 Cb 0.66 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1mjg h GLU 126 CO 0.04 0.37 -0.13 1.98 -1.16 0.00 0.00 179.01 180.11 1mjg h MET 127 N 0.57 -0.24 -0.06 2.33 4.05 -0.84 -0.29 114.93 120.45 1mjg h MET 127 Ca 0.20 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.66 1mjg h MET 127 Cb 0.04 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1mjg h MET 127 CO -0.10 -0.16 0.06 0.00 0.23 0.00 0.00 176.91 176.94 1mjg h ALA 128 N 0.64 1.73 -0.48 0.39 0.00 -0.51 -0.58 119.26 120.46 1mjg h ALA 128 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mjg h ALA 128 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1mjg h ALA 128 CO -0.07 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.48 1mjg n GLU 129 N -4.01 2.60 -1.86 0.00 1.02 -0.19 -4.86 120.64 113.34 1mjg n GLU 129 Ca -0.01 -1.92 -0.10 0.00 -0.02 0.00 0.00 57.16 55.11 1mjg n GLU 129 Cb 0.16 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 1mjg n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjg n GLY 130 N 1.06 0.40 0.62 0.62 0.00 -0.23 -4.92 105.19 102.74 1mjg n GLY 130 Ca 0.18 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1mjg n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjg n LYS 131 N -2.25 1.78 -3.10 1.61 5.02 -0.18 -4.70 118.16 116.34 1mjg n LYS 131 Ca -0.11 -1.68 -0.21 0.00 -2.02 0.00 0.00 58.31 54.29 1mjg n LYS 131 Cb 0.49 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 34.18 1mjg n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mjg n ALA 132 N 0.69 1.59 0.29 7.82 0.00 -1.23 -4.20 120.51 125.47 1mjg n ALA 132 Ca 0.10 -2.94 0.17 0.00 0.00 0.00 0.00 53.44 50.77 1mjg n ALA 132 Cb 0.38 -0.93 0.83 0.00 0.00 0.00 0.00 19.45 19.74 1mjg n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mjg h PRO 133 N 4.09 0.00 -0.00 0.00 0.13 -1.85 -1.66 132.00 132.72 1mjg h PRO 133 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1mjg h PRO 133 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1mjg h PRO 133 CO 0.42 0.00 -0.01 -0.25 -0.23 0.00 0.00 178.00 177.94 1mjg n ASP 134 N -3.10 0.04 -4.60 1.44 8.00 -1.26 -4.82 116.55 112.25 1mjg n ASP 134 Ca -0.00 -0.48 -0.27 0.00 0.71 0.00 0.00 54.79 54.75 1mjg n ASP 134 Cb 0.40 -0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 41.22 1mjg n ASP 134 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1mjg s TYR 135 N -2.36 2.48 0.07 1.24 1.51 -0.62 -5.02 117.35 114.64 1mjg s TYR 135 Ca 0.36 -0.60 -0.26 0.00 -1.01 0.00 0.00 57.07 55.55 1mjg s TYR 135 Cb 0.21 -1.63 0.09 0.00 -0.11 0.00 0.00 41.96 40.52 1mjg s TYR 135 CO 0.43 0.49 1.18 -1.54 -1.11 0.00 0.00 175.55 175.00 1mjg s SER 136 N -3.68 -0.02 -0.51 2.29 1.04 -1.26 -4.98 113.70 106.57 1mjg s SER 136 Ca 0.34 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.17 1mjg s SER 136 Cb 0.07 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1mjg s SER 136 CO 0.18 -0.58 0.85 -0.69 0.98 0.00 0.00 173.24 173.98 1mjg s VAL 137 N -2.25 4.53 -0.63 5.02 1.01 -1.26 -4.39 120.40 122.43 1mjg s VAL 137 Ca 0.22 0.26 0.23 0.00 0.00 0.00 0.00 61.98 62.69 1mjg s VAL 137 Cb -0.00 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 1mjg s VAL 137 CO 0.01 -0.94 1.09 0.29 0.00 0.00 0.00 175.10 175.55 1mjg n LYS 138 N 7.05 0.28 -3.58 2.72 5.02 -0.14 -4.64 118.16 124.87 1mjg n LYS 138 Ca 0.01 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 1mjg n LYS 138 Cb 0.47 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 1mjg n LYS 138 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1mjg s ASP 139 N -3.96 2.88 0.33 4.39 3.68 -0.98 -4.70 116.67 118.32 1mjg s ASP 139 Ca 0.04 -2.91 0.03 0.00 2.13 0.00 0.00 52.55 51.84 1mjg s ASP 139 Cb 0.14 -0.79 0.59 0.00 -1.45 0.00 0.00 42.92 41.41 1mjg s ASP 139 CO 0.78 -0.21 1.92 -0.33 0.13 0.00 0.00 175.17 177.47 1mjg h GLU 140 N 6.15 0.69 -0.45 4.34 5.08 -1.86 -2.01 114.58 126.52 1mjg h GLU 140 Ca 0.13 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1mjg h GLU 140 Cb 0.90 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1mjg h GLU 140 CO 0.44 0.58 0.17 0.00 -1.00 0.00 0.00 179.01 179.20 1mjg h ALA 141 N 1.52 0.59 -0.58 3.43 0.00 -1.99 -0.89 119.26 121.33 1mjg h ALA 141 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 141 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1mjg h ALA 141 CO -0.01 0.21 0.28 -0.22 0.00 0.00 0.00 179.25 179.50 1mjg h LYS 142 N 0.59 0.83 -0.02 0.00 1.63 -1.88 -0.66 116.57 117.06 1mjg h LYS 142 Ca 0.15 -0.12 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1mjg h LYS 142 Cb 0.21 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1mjg h LYS 142 CO -0.01 0.68 -0.08 1.25 -3.45 0.00 0.00 179.45 177.83 1mjg h LEU 143 N 0.78 -0.24 -1.21 5.20 5.85 -1.01 0.07 115.31 124.74 1mjg h LEU 143 Ca 0.20 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1mjg h LEU 143 Cb 0.12 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1mjg h LEU 143 CO -0.02 -0.12 -0.13 0.11 -0.34 0.00 0.00 178.44 177.93 1mjg h LYS 144 N -0.13 0.38 -0.28 1.25 1.57 -1.01 -0.59 116.57 117.75 1mjg h LYS 144 Ca 0.04 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1mjg h LYS 144 Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1mjg h LYS 144 CO -0.10 0.52 -0.08 1.49 -0.57 0.00 0.00 179.45 180.71 1mjg h GLU 145 N 0.35 0.54 -0.61 3.15 4.57 -0.59 -1.11 114.58 120.88 1mjg h GLU 145 Ca 0.07 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1mjg h GLU 145 Cb 0.45 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1mjg h GLU 145 CO 0.03 0.75 0.04 0.28 -1.18 0.00 0.00 179.01 178.94 1mjg h VAL 146 N 0.30 1.26 -0.53 0.32 2.07 -0.74 -0.94 116.25 117.99 1mjg h VAL 146 Ca 0.07 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1mjg h VAL 146 Cb 0.56 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1mjg h VAL 146 CO 0.03 0.40 0.35 0.00 0.02 0.00 0.00 177.57 178.37 1mjg h ARG 148 N 0.71 0.53 -0.42 0.00 2.43 -0.92 0.35 114.38 117.07 1mjg h ARG 148 Ca 0.20 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1mjg h ARG 148 Cb -0.07 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1mjg h ARG 148 CO -0.05 0.42 0.26 -0.09 -1.51 0.00 0.00 179.97 179.00 1mjg h ARG 149 N 0.49 0.55 -0.07 0.20 2.43 -0.77 -1.86 114.38 115.36 1mjg h ARG 149 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1mjg h ARG 149 Cb 0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1mjg h ARG 149 CO -0.02 0.38 0.00 0.28 -1.51 0.00 0.00 179.97 179.10 1mjg n VAL 150 N -4.46 0.07 -0.62 0.20 0.31 -0.61 -4.89 118.33 108.33 1mjg n VAL 150 Ca 0.03 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1mjg n VAL 150 Cb 0.07 0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1mjg n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mjg n GLY 151 N 1.16 0.67 3.70 2.92 0.00 -0.70 -5.04 105.19 107.91 1mjg n GLY 151 Ca 0.18 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1mjg n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 152 N -2.00 4.92 -0.18 -0.61 1.01 0.12 -4.99 121.20 119.45 1mjg s ILE 152 Ca 0.00 1.77 -0.29 0.00 0.00 0.00 0.00 60.65 62.13 1mjg s ILE 152 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1mjg s ILE 152 CO 0.00 0.14 1.36 -0.70 0.00 0.00 0.00 174.94 175.74 1mjg s GLU 153 N 1.32 4.11 0.03 2.79 -6.30 -1.26 -4.05 118.70 115.34 1mjg s GLU 153 Ca 0.44 1.65 0.13 0.00 -2.50 0.00 0.00 54.97 54.69 1mjg s GLU 153 Cb -0.19 -3.85 -0.18 0.00 0.00 0.00 0.00 34.13 29.91 1mjg s GLU 153 CO 0.20 -0.87 0.86 0.28 0.02 0.00 0.00 175.26 175.75 1mjg h VAL 154 N 5.67 0.91 -2.38 3.70 2.07 -1.94 -3.47 116.25 120.80 1mjg h VAL 154 Ca -0.29 -2.62 -0.54 0.00 0.82 0.00 0.00 66.70 64.07 1mjg h VAL 154 Cb 1.12 2.40 0.01 0.00 -1.52 0.00 0.00 31.29 33.30 1mjg h VAL 154 CO 0.98 0.52 1.23 -0.70 0.02 0.00 0.00 177.57 179.62 1mjg s GLU 155 N -2.72 4.08 0.00 1.57 2.12 -1.26 -3.09 118.70 119.39 1mjg s GLU 155 Ca -0.03 2.50 0.00 0.00 0.36 0.00 0.00 54.97 57.81 1mjg s GLU 155 Cb 0.08 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.32 1mjg s GLU 155 CO 0.82 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 1mjg n GLY 156 N 4.57 0.76 3.17 -1.50 0.00 -1.26 -5.09 105.19 105.83 1mjg n GLY 156 Ca 0.20 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1mjg n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjg s LYS 157 N -0.91 0.96 0.98 1.61 1.02 -1.18 -5.14 119.74 117.07 1mjg s LYS 157 Ca 0.00 -0.84 -0.13 0.00 0.02 0.00 0.00 55.97 55.02 1mjg s LYS 157 Cb 0.00 -0.99 0.18 0.00 -0.52 0.00 0.00 37.83 36.49 1mjg s LYS 157 CO 0.00 0.24 1.11 -1.54 -0.92 0.00 0.00 175.35 174.24 1mjg s SER 158 N -1.32 2.82 0.22 2.83 1.04 -1.26 -4.87 113.70 113.15 1mjg s SER 158 Ca 0.02 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 57.45 1mjg s SER 158 Cb -0.09 -1.65 0.20 0.00 0.10 0.00 0.00 66.02 64.58 1mjg s SER 158 CO 0.02 -2.99 1.65 -0.37 0.98 0.00 0.00 173.24 172.52 1mjg h VAL 159 N -1.80 1.27 -0.57 5.02 -1.51 -1.99 -2.71 116.25 113.96 1mjg h VAL 159 Ca -0.53 -1.29 -0.08 0.00 -1.23 0.00 0.00 66.70 63.57 1mjg h VAL 159 Cb 1.33 1.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.63 1mjg h VAL 159 CO 0.58 0.43 0.05 -0.07 -1.23 0.00 0.00 177.57 177.33 1mjg h LEU 160 N 0.69 0.91 -0.87 4.19 3.38 -1.92 -0.46 115.31 121.24 1mjg h LEU 160 Ca 0.10 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1mjg h LEU 160 Cb 0.69 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1mjg h LEU 160 CO 0.05 0.94 0.18 -0.33 0.09 0.00 0.00 178.44 179.37 1mjg h GLU 161 N 0.89 1.01 -0.32 1.13 5.08 -1.86 -0.71 114.58 119.80 1mjg h GLU 161 Ca 0.17 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1mjg h GLU 161 Cb 0.45 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1mjg h GLU 161 CO 0.02 0.89 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.72 1mjg h LEU 162 N 0.97 0.67 -0.86 1.33 3.38 -1.13 -0.79 115.31 118.88 1mjg h LEU 162 Ca 0.21 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1mjg h LEU 162 Cb 0.31 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1mjg h LEU 162 CO -0.00 0.91 0.57 0.00 0.09 0.00 0.00 178.44 180.00 1mjg h ALA 163 N 0.78 1.09 -0.51 1.53 0.00 -0.83 -0.22 119.26 121.10 1mjg h ALA 163 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1mjg h ALA 163 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1mjg h ALA 163 CO 0.04 0.49 -0.01 0.37 0.00 0.00 0.00 179.25 180.15 1mjg h GLN 164 N 1.17 0.91 -0.36 0.00 4.15 -0.96 -1.68 115.11 118.33 1mjg h GLN 164 Ca 0.32 -0.29 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1mjg h GLN 164 Cb -0.13 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1mjg h GLN 164 CO -0.07 0.94 -0.11 1.49 -1.93 0.00 0.00 178.83 179.15 1mjg h GLU 165 N 0.77 0.71 -0.24 1.69 4.81 -0.58 -1.77 114.58 119.97 1mjg h GLU 165 Ca 0.14 -0.28 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 1mjg h GLU 165 Cb 0.53 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1mjg h GLU 165 CO 0.03 0.88 -0.43 -0.39 -0.73 0.00 0.00 179.01 178.37 1mjg h VAL 166 N 0.51 1.30 0.06 0.32 -1.51 -1.06 -1.60 116.25 114.26 1mjg h VAL 166 Ca 0.09 -1.61 0.01 0.00 -1.23 0.00 0.00 66.70 63.95 1mjg h VAL 166 Cb 0.63 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.36 1mjg h VAL 166 CO 0.04 0.51 -0.11 1.23 -1.23 0.00 0.00 177.57 178.02 1mjg h GLY 167 N 1.03 -0.18 1.56 5.19 0.00 -1.21 -0.49 103.07 108.99 1mjg h GLY 167 Ca 0.04 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1mjg h GLY 167 CO 0.08 -0.11 0.13 0.83 0.00 0.00 0.00 176.54 177.48 1mjg h GLU 168 N -0.21 0.56 -0.72 4.80 5.08 -1.25 0.05 114.58 122.88 1mjg h GLU 168 Ca 0.02 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1mjg h GLU 168 Cb 0.23 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1mjg h GLU 168 CO -0.06 0.49 0.25 -0.22 -1.00 0.00 0.00 179.01 178.47 1mjg h LYS 169 N 0.56 1.11 -0.26 2.33 1.63 -0.72 -1.30 116.57 119.92 1mjg h LYS 169 Ca 0.14 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.65 1mjg h LYS 169 Cb 0.16 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1mjg h LYS 169 CO -0.01 0.93 -0.07 0.00 -3.45 0.00 0.00 179.45 176.85 1mjg h ALA 170 N 1.12 0.36 -0.52 5.00 0.00 -0.14 -2.71 119.26 122.37 1mjg h ALA 170 Ca 0.24 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 170 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1mjg h ALA 170 CO -0.01 0.17 0.36 -0.07 0.00 0.00 0.00 179.25 179.70 1mjg h LEU 171 N 0.25 0.25 -1.53 0.00 3.38 -0.68 0.28 115.31 117.26 1mjg h LEU 171 Ca 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1mjg h LEU 171 Cb 0.55 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1mjg h LEU 171 CO 0.03 0.15 0.14 -0.33 0.09 0.00 0.00 178.44 178.51 1mjg h GLU 172 N 0.27 0.45 0.00 1.13 5.08 -0.91 -1.19 114.58 119.41 1mjg h GLU 172 Ca 0.24 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1mjg h GLU 172 Cb 0.60 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1mjg h GLU 172 CO -0.05 0.37 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.71 1mjg h ASP 173 N 0.46 0.00 1.16 1.42 3.32 -0.40 -1.87 116.42 120.50 1mjg h ASP 173 Ca 0.12 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1mjg h ASP 173 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1mjg h ASP 173 CO -0.01 0.18 -0.88 -0.26 -1.72 0.00 0.00 179.24 176.54 1mjg h PHE 174 N 0.00 0.00 0.00 4.55 -1.00 -1.11 0.87 116.94 120.25 1mjg h PHE 174 Ca -0.00 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.57 1mjg h PHE 174 Cb 0.59 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.12 1mjg h PHE 174 CO 0.00 0.30 -1.79 0.54 -1.61 0.00 0.00 178.31 175.75 1mjg n ARG 175 N -2.93 0.65 -1.60 1.51 1.74 -0.88 -3.53 116.66 111.62 1mjg n ARG 175 Ca -0.02 0.10 -0.47 0.00 -0.77 0.00 0.00 57.85 56.68 1mjg n ARG 175 Cb 0.68 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1mjg n ARG 175 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1mjg n ARG 176 N -2.76 1.39 -3.04 5.56 0.63 -0.73 -4.91 116.66 112.80 1mjg n ARG 176 Ca -0.16 0.49 -0.19 0.00 -0.92 0.00 0.00 57.85 57.08 1mjg n ARG 176 Cb 0.90 -2.02 0.01 0.00 0.45 0.00 0.00 32.46 31.80 1mjg n ARG 176 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1mjg s LEU 177 N 0.51 3.65 0.21 6.15 1.43 -1.26 -2.85 118.68 126.51 1mjg s LEU 177 Ca 0.71 -0.21 -0.32 0.00 -1.03 0.00 0.00 54.13 53.27 1mjg s LEU 177 Cb -0.79 -2.77 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 1mjg s LEU 177 CO 0.52 -0.76 1.56 1.17 0.23 0.00 0.00 176.35 179.07 1mjg n LYS 178 N -1.93 2.28 -0.69 1.70 4.81 -1.26 -1.49 118.16 121.58 1mjg n LYS 178 Ca 0.05 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1mjg n LYS 178 Cb 0.59 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1mjg n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mjg n GLY 179 N 3.00 1.44 0.79 3.14 0.00 -1.26 -4.90 105.19 107.41 1mjg n GLY 179 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1mjg n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mjg n GLU 180 N -2.00 2.05 0.00 1.61 1.02 -0.55 -5.06 120.64 117.71 1mjg n GLU 180 Ca 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.57 1mjg n GLU 180 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1mjg n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjg n GLY 181 N 1.29 0.95 3.44 0.62 0.00 -1.26 -4.94 105.19 105.29 1mjg n GLY 181 Ca 0.17 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1mjg n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjg s GLU 182 N -1.87 1.59 -0.04 1.61 2.02 -1.26 -4.21 118.70 116.54 1mjg s GLU 182 Ca 0.00 -1.28 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 1mjg s GLU 182 Cb 0.00 -2.00 -0.06 0.00 0.10 0.00 0.00 34.13 32.17 1mjg s GLU 182 CO 0.00 0.46 1.66 0.00 0.02 0.00 0.00 175.26 177.41 1mjg s ALA 183 N -1.13 3.62 0.11 5.21 0.00 -0.50 -4.91 121.76 124.15 1mjg s ALA 183 Ca 0.16 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 52.84 1mjg s ALA 183 Cb -0.10 -3.75 -0.08 0.00 0.00 0.00 0.00 23.12 19.19 1mjg s ALA 183 CO 0.08 -1.39 1.67 1.15 0.00 0.00 0.00 175.76 177.27 1mjg h THR 184 N 5.54 0.59 0.00 0.00 2.02 -1.91 -2.38 112.91 116.76 1mjg h THR 184 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1mjg h THR 184 Cb 1.18 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1mjg h THR 184 CO 0.95 0.00 0.00 0.79 0.37 0.00 0.00 175.52 177.63 1mjg n TRP 185 N -5.30 0.13 -0.09 3.16 8.01 -1.26 -1.38 117.44 120.71 1mjg n TRP 185 Ca -0.06 0.06 -0.15 0.00 -1.31 0.00 0.00 57.50 56.05 1mjg n TRP 185 Cb 0.22 -0.60 -0.06 0.00 -2.01 0.00 0.00 31.31 28.85 1mjg n TRP 185 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 1mjg n LEU 186 N -1.63 1.86 0.23 -0.99 7.94 -0.96 -4.03 117.00 119.43 1mjg n LEU 186 Ca 0.01 0.48 0.07 0.00 -1.11 0.00 0.00 56.01 55.46 1mjg n LEU 186 Cb 0.07 -0.88 0.55 0.00 0.53 0.00 0.00 43.42 43.69 1mjg n LEU 186 CO 0.06 -0.04 0.93 0.24 -1.11 0.00 0.00 177.39 177.48 1mjg h MET 187 N -1.00 0.00 -0.01 1.96 2.86 -1.26 -2.39 114.93 115.09 1mjg h MET 187 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1mjg h MET 187 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1mjg h MET 187 CO -0.13 0.16 -0.17 0.25 1.06 0.00 0.00 176.91 178.07 1mjg n THR 188 N -4.24 0.00 0.07 2.22 -2.24 -0.48 -4.00 114.28 105.61 1mjg n THR 188 Ca -0.02 -0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.65 1mjg n THR 188 Cb 0.23 0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.77 1mjg n THR 188 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mjg n THR 189 N -0.59 0.49 -4.49 4.28 -2.24 -0.91 -4.96 114.28 105.84 1mjg n THR 189 Ca 0.14 -0.74 -0.24 0.00 -2.27 0.00 0.00 64.05 60.94 1mjg n THR 189 Cb 0.33 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 1mjg n THR 189 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1mjg s ILE 190 N -0.71 2.03 0.84 2.28 -4.36 -1.13 -4.84 121.20 115.31 1mjg s ILE 190 Ca 0.08 -2.19 -0.12 0.00 -0.26 0.00 0.00 60.65 58.16 1mjg s ILE 190 Cb 0.05 -2.54 0.10 0.00 1.25 0.00 0.00 42.46 41.32 1mjg s ILE 190 CO 0.07 -0.26 1.18 0.54 0.24 0.00 0.00 174.94 176.71 1mjg s ASN 191 N -3.54 4.17 0.26 4.36 4.22 -1.26 -4.88 114.94 118.28 1mjg s ASN 191 Ca 0.31 0.77 -0.05 0.00 -2.14 0.00 0.00 52.86 51.75 1mjg s ASN 191 Cb 0.02 -1.24 0.30 0.00 1.28 0.00 0.00 41.25 41.61 1mjg s ASN 191 CO 0.15 -2.12 1.93 -0.33 -2.04 0.00 0.00 177.10 174.69 1mjg h GLU 192 N -1.20 1.25 -0.12 3.55 4.39 -1.98 -2.25 114.58 118.22 1mjg h GLU 192 Ca -0.47 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.18 1mjg h GLU 192 Cb 1.32 -0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1mjg h GLU 192 CO 0.63 0.85 -0.15 0.78 -1.16 0.00 0.00 179.01 179.95 1mjg h GLY 193 N 1.29 -0.10 1.44 -3.84 0.00 -1.94 -0.34 103.07 99.58 1mjg h GLY 193 Ca 0.34 0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.79 1mjg h GLY 193 CO -0.07 -0.15 -0.04 3.21 0.00 0.00 0.00 176.54 179.49 1mjg h ARG 194 N -0.20 0.68 -0.46 4.80 2.47 -1.89 -1.23 114.38 118.54 1mjg h ARG 194 Ca 0.09 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 1mjg h ARG 194 Cb 0.33 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1mjg h ARG 194 CO -0.23 0.72 0.14 0.87 0.56 0.00 0.00 179.97 182.03 1mjg h LYS 195 N 0.63 0.72 -0.32 0.04 1.57 -0.94 -0.64 116.57 117.63 1mjg h LYS 195 Ca 0.12 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1mjg h LYS 195 Cb 0.45 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1mjg h LYS 195 CO 0.02 0.69 0.18 0.93 -0.57 0.00 0.00 179.45 180.70 1mjg h GLU 196 N 0.61 0.45 0.21 3.15 4.39 -0.85 -1.51 114.58 121.04 1mjg h GLU 196 Ca 0.15 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1mjg h GLU 196 Cb 0.27 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1mjg h GLU 196 CO -0.00 0.39 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.83 1mjg h LYS 197 N 0.40 -0.39 -0.17 2.33 1.63 -1.01 -1.08 116.57 118.28 1mjg h LYS 197 Ca 0.11 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1mjg h LYS 197 Cb 0.07 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1mjg h LYS 197 CO -0.02 -0.26 -0.12 0.74 -3.45 0.00 0.00 179.45 176.34 1mjg h PHE 198 N -0.41 0.28 -0.01 1.91 0.05 -1.05 -1.43 116.94 116.28 1mjg h PHE 198 Ca -0.01 -0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.68 1mjg h PHE 198 Cb 0.37 -0.08 0.01 0.00 2.00 0.00 0.00 35.95 38.24 1mjg h PHE 198 CO -0.13 0.39 -0.29 0.00 -0.18 0.00 0.00 178.31 178.10 1mjg h ARG 199 N 0.25 0.22 0.00 1.51 3.08 -1.07 -1.02 114.38 117.34 1mjg h ARG 199 Ca 0.05 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 1mjg h ARG 199 Cb 0.37 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1mjg h ARG 199 CO 0.02 0.92 -0.22 1.79 -1.07 0.00 0.00 179.97 181.41 1mjg h THR 200 N -0.40 1.00 -0.02 2.04 1.35 -1.14 -2.35 112.91 113.38 1mjg h THR 200 Ca -0.03 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1mjg h THR 200 Cb 1.01 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1mjg h THR 200 CO 0.06 0.22 -0.01 1.41 -0.25 0.00 0.00 175.52 176.95 1mjg n HIS 201 N -4.03 0.00 -3.78 4.73 8.25 -0.55 -4.98 115.22 114.86 1mjg n HIS 201 Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.20 1mjg n HIS 201 Cb 0.30 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.43 1mjg n HIS 201 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1mjg n ASN 202 N 0.70 -2.19 -0.07 0.41 5.15 -0.55 -4.91 115.26 113.81 1mjg n ASN 202 Ca 0.16 -0.82 0.01 0.00 -0.60 0.00 0.00 54.58 53.33 1mjg n ASN 202 Cb 0.47 -3.93 0.02 0.00 -0.53 0.00 0.00 39.78 35.81 1mjg n ASN 202 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1mjg n VAL 203 N -4.41 1.05 -2.08 3.44 0.24 -0.50 -4.99 118.33 111.09 1mjg n VAL 203 Ca -0.20 -1.07 -0.42 0.00 -2.04 0.00 0.00 64.34 60.61 1mjg n VAL 203 Cb 0.63 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 1mjg n VAL 203 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1mjg s VAL 204 N -1.11 3.70 0.31 3.34 1.01 -1.22 -4.20 120.40 122.23 1mjg s VAL 204 Ca 0.04 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 1mjg s VAL 204 Cb 0.03 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 1mjg s VAL 204 CO 0.02 -0.07 1.29 -2.16 0.00 0.00 0.00 175.10 174.17 1mjg s PRO 205 N 3.91 4.39 -0.11 2.72 0.04 -1.26 -4.89 135.00 139.81 1mjg s PRO 205 Ca 0.70 2.15 -0.02 0.00 0.04 0.00 0.00 61.00 63.87 1mjg s PRO 205 Cb -0.31 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1mjg s PRO 205 CO 0.27 -0.16 -0.04 0.27 0.04 0.00 0.00 177.00 177.38 1mjg h PHE 206 N 3.71 0.00 -3.70 0.56 -0.00 -1.89 -1.33 116.94 114.29 1mjg h PHE 206 Ca -0.48 0.00 -0.41 0.00 -0.00 0.00 0.00 57.97 57.08 1mjg h PHE 206 Cb 1.22 0.00 -0.19 0.00 -0.00 0.00 0.00 35.95 36.98 1mjg h PHE 206 CO 0.57 0.00 -0.76 0.20 -0.00 0.00 0.00 178.31 178.32 1mjg s GLY 207 N -3.66 1.01 -0.01 6.09 0.00 -1.13 -3.48 107.32 106.13 1mjg s GLY 207 Ca -0.04 -1.21 -0.22 0.00 0.00 0.00 0.00 44.72 43.26 1mjg s GLY 207 CO 0.05 -1.26 0.99 -2.22 0.00 0.00 0.00 173.10 170.67 1mjg h ILE 208 N 3.74 0.45 -0.77 0.90 2.04 -0.98 -1.45 117.51 121.44 1mjg h ILE 208 Ca -0.40 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1mjg h ILE 208 Cb 1.19 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1mjg h ILE 208 CO 0.48 0.09 0.41 0.45 0.00 0.00 0.00 178.15 179.58 1mjg h HIS 209 N -0.96 1.07 -0.19 1.37 3.86 -1.82 -2.28 115.15 116.20 1mjg h HIS 209 Ca -0.05 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 1mjg h HIS 209 Cb 0.53 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1mjg h HIS 209 CO 0.03 0.76 -0.20 0.00 0.86 0.00 0.00 177.93 179.37 1mjg h ALA 210 N 1.21 1.30 -0.45 2.45 0.00 -1.79 -0.51 119.26 121.47 1mjg h ALA 210 Ca 0.27 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1mjg h ALA 210 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mjg h ALA 210 CO -0.04 0.47 -0.28 0.77 0.00 0.00 0.00 179.25 180.17 1mjg h SER 211 N 0.31 1.02 -0.09 0.00 0.02 -0.89 -0.88 113.55 113.03 1mjg h SER 211 Ca 0.05 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1mjg h SER 211 Cb 0.54 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1mjg h SER 211 CO 0.04 1.22 0.03 0.40 -1.14 0.00 0.00 176.83 177.37 1mjg h ILE 212 N 0.83 1.17 -0.96 3.27 2.04 -1.09 -2.99 117.51 119.77 1mjg h ILE 212 Ca 0.09 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1mjg h ILE 212 Cb 0.86 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1mjg h ILE 212 CO 0.08 0.15 0.63 -1.28 0.00 0.00 0.00 178.15 177.73 1mjg h SER 213 N -0.03 1.08 -0.86 1.72 0.87 -1.01 -2.52 113.55 112.80 1mjg h SER 213 Ca 0.03 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1mjg h SER 213 Cb 0.20 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 1mjg h SER 213 CO -0.00 0.76 0.57 -0.08 -0.53 0.00 0.00 176.83 177.55 1mjg h GLU 214 N 1.26 1.12 -0.23 2.24 4.57 -1.02 -0.28 114.58 122.24 1mjg h GLU 214 Ca 0.36 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.31 1mjg h GLU 214 Cb -0.08 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.25 1mjg h GLU 214 CO -0.09 0.74 -0.54 1.25 -1.18 0.00 0.00 179.01 179.19 1mjg h LEU 215 N 1.15 0.75 -0.76 1.64 5.85 -1.37 -0.57 115.31 122.00 1mjg h LEU 215 Ca 0.32 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1mjg h LEU 215 Cb -0.11 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 1mjg h LEU 215 CO -0.08 1.14 0.49 0.58 -0.34 0.00 0.00 178.44 180.24 1mjg h VAL 216 N 0.52 1.15 -0.58 1.05 2.07 -1.04 -1.20 116.25 118.22 1mjg h VAL 216 Ca 0.01 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1mjg h VAL 216 Cb 1.10 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1mjg h VAL 216 CO 0.11 0.18 0.25 -1.13 0.02 0.00 0.00 177.57 177.00 1mjg h ASN 217 N 0.99 0.78 0.45 0.57 -0.73 -0.79 -2.54 115.58 114.30 1mjg h ASN 217 Ca 0.29 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 1mjg h ASN 217 Cb -0.04 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.34 1mjg h ASN 217 CO -0.09 0.72 -0.05 1.56 -0.37 0.00 0.00 177.43 179.20 1mjg h GLN 218 N 0.79 0.00 0.00 6.67 4.20 -0.24 -2.48 115.11 124.05 1mjg h GLN 218 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1mjg h GLN 218 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1mjg h GLN 218 CO -0.02 0.05 -0.48 0.00 -0.67 0.00 0.00 178.83 177.70 1mjg n ALA 219 N -2.16 2.92 -1.65 3.87 0.00 -0.54 -3.18 120.51 119.77 1mjg n ALA 219 Ca -0.01 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1mjg n ALA 219 Cb 0.21 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.51 1mjg n ALA 219 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1mjg n HIS 220 N -1.98 1.63 -1.62 0.00 -0.00 -0.94 -4.88 115.22 107.45 1mjg n HIS 220 Ca 0.04 0.42 -0.47 0.00 -0.00 0.00 0.00 57.72 57.71 1mjg n HIS 220 Cb 0.41 -2.22 -0.03 0.00 -0.00 0.00 0.00 29.99 28.14 1mjg n HIS 220 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1mjg n MET 221 N -1.87 1.53 -1.86 1.57 0.00 -1.26 -2.31 117.12 112.91 1mjg n MET 221 Ca 0.15 0.54 -0.10 0.00 -0.00 0.00 0.00 57.70 58.30 1mjg n MET 221 Cb 0.48 -2.10 -0.02 0.00 0.00 0.00 0.00 33.22 31.58 1mjg n MET 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1mjg n GLY 222 N 2.03 0.38 0.00 -5.12 0.00 -1.26 -4.99 105.19 96.22 1mjg n GLY 222 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1mjg n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mjg n MET 223 N -2.21 0.00 -2.77 1.61 2.00 -0.98 -5.06 117.12 109.71 1mjg n MET 223 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.21 1mjg n MET 223 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.65 1mjg n MET 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1mjg s ASP 224 N -0.59 7.45 -0.01 7.83 3.68 -1.19 -4.94 116.67 128.91 1mjg s ASP 224 Ca 0.00 1.88 0.01 0.00 2.13 0.00 0.00 52.55 56.57 1mjg s ASP 224 Cb 0.00 -2.59 0.01 0.00 -1.45 0.00 0.00 42.92 38.89 1mjg s ASP 224 CO 0.00 0.02 0.71 -3.20 0.13 0.00 0.00 175.17 172.83 1mjg n ASN 225 N 0.90 0.37 -4.55 -0.34 2.85 -1.26 -4.98 115.26 108.25 1mjg n ASN 225 Ca 0.00 -1.46 -0.41 0.00 -0.11 0.00 0.00 54.58 52.61 1mjg n ASN 225 Cb 0.49 -0.07 -0.09 0.00 1.24 0.00 0.00 39.78 41.35 1mjg n ASN 225 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1mjg s ASP 226 N -0.49 6.20 0.20 1.20 -1.08 -1.26 -4.84 116.67 116.60 1mjg s ASP 226 Ca 0.02 -0.16 -0.10 0.00 -0.52 0.00 0.00 52.55 51.78 1mjg s ASP 226 Cb 0.01 -2.21 0.22 0.00 -1.46 0.00 0.00 42.92 39.48 1mjg s ASP 226 CO 0.00 -0.35 1.80 1.55 0.52 0.00 0.00 175.17 178.70 1mjg h PRO 227 N 8.44 0.62 -0.47 4.34 0.13 -1.96 -1.07 132.00 142.03 1mjg h PRO 227 Ca -0.30 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.66 1mjg h PRO 227 Cb 1.14 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1mjg h PRO 227 CO 0.70 0.41 -0.24 0.28 -0.23 0.00 0.00 178.00 178.93 1mjg h VAL 228 N 0.64 1.27 -0.70 1.56 2.07 -1.99 -1.34 116.25 117.75 1mjg h VAL 228 Ca 0.28 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1mjg h VAL 228 Cb 0.18 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1mjg h VAL 228 CO -0.18 0.48 0.21 -1.13 0.02 0.00 0.00 177.57 176.98 1mjg h ASN 229 N 0.84 1.02 -0.20 0.57 -1.24 -1.92 -0.89 115.58 113.77 1mjg h ASN 229 Ca 0.10 -0.19 -0.07 0.00 0.71 0.00 0.00 56.30 56.85 1mjg h ASN 229 Cb 0.82 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 1mjg h ASN 229 CO 0.07 0.95 -0.16 -0.07 -1.29 0.00 0.00 177.43 176.94 1mjg h LEU 230 N 1.05 0.48 -0.42 0.34 3.38 -1.05 -2.19 115.31 116.89 1mjg h LEU 230 Ca 0.23 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1mjg h LEU 230 Cb 0.30 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1mjg h LEU 230 CO -0.01 0.83 0.21 0.58 0.09 0.00 0.00 178.44 180.14 1mjg h VAL 231 N 0.14 1.17 -0.59 1.22 2.07 -1.11 -1.14 116.25 118.01 1mjg h VAL 231 Ca 0.04 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1mjg h VAL 231 Cb 0.68 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1mjg h VAL 231 CO 0.04 0.19 0.38 -0.26 0.02 0.00 0.00 177.57 177.94 1mjg h PHE 232 N 0.54 0.75 -0.32 1.57 -1.00 -1.16 0.62 116.94 117.93 1mjg h PHE 232 Ca 0.14 0.01 -0.12 0.00 2.81 0.00 0.00 57.97 60.81 1mjg h PHE 232 Cb 0.11 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 1mjg h PHE 232 CO -0.01 0.48 -0.31 1.03 -1.61 0.00 0.00 178.31 177.89 1mjg h SER 233 N 0.80 0.72 -0.15 2.17 0.87 -0.92 -0.74 113.55 116.31 1mjg h SER 233 Ca 0.22 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1mjg h SER 233 Cb -0.08 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1mjg h SER 233 CO -0.05 0.98 -0.17 0.00 -0.53 0.00 0.00 176.83 177.06 1mjg h ALA 234 N 1.07 1.14 -0.44 6.23 0.00 -0.06 -1.91 119.26 125.29 1mjg h ALA 234 Ca 0.07 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1mjg h ALA 234 Cb 0.82 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1mjg h ALA 234 CO 0.07 0.54 -0.20 0.82 0.00 0.00 0.00 179.25 180.47 1mjg h ILE 235 N 0.49 1.27 -0.63 0.00 2.04 -0.48 -0.45 117.51 119.76 1mjg h ILE 235 Ca 0.08 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.56 1mjg h ILE 235 Cb 0.58 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1mjg h ILE 235 CO 0.04 0.46 0.22 -0.09 0.00 0.00 0.00 178.15 178.77 1mjg h ARG 236 N 0.77 0.94 -0.43 2.37 2.43 -0.74 0.48 114.38 120.20 1mjg h ARG 236 Ca 0.11 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1mjg h ARG 236 Cb 0.74 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1mjg h ARG 236 CO 0.06 0.79 -0.25 0.28 -1.51 0.00 0.00 179.97 179.34 1mjg h VAL 237 N 0.91 1.27 -0.75 0.20 2.07 -0.99 -1.18 116.25 117.79 1mjg h VAL 237 Ca 0.21 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 1mjg h VAL 237 Cb 0.23 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1mjg h VAL 237 CO -0.01 0.47 0.28 0.00 0.02 0.00 0.00 177.57 178.33 1mjg h ALA 238 N 0.94 0.97 0.00 1.67 0.00 -0.39 -0.23 119.26 122.22 1mjg h ALA 238 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1mjg h ALA 238 Cb 0.80 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1mjg h ALA 238 CO 0.07 0.62 -0.30 -0.07 0.00 0.00 0.00 179.25 179.57 1mjg h LEU 239 N 1.09 0.00 -0.48 0.00 3.38 -0.68 -0.69 115.31 117.93 1mjg h LEU 239 Ca 0.25 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 1mjg h LEU 239 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1mjg h LEU 239 CO -0.02 0.30 -0.57 0.00 0.09 0.00 0.00 178.44 178.24 1mjg h ALA 240 N 1.70 0.65 0.26 1.53 0.00 -0.28 -1.43 119.26 121.70 1mjg h ALA 240 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1mjg h ALA 240 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mjg h ALA 240 CO 0.04 0.69 -0.12 0.22 0.00 0.00 0.00 179.25 180.08 1mjg h ASP 241 N 0.45 -0.30 -0.94 0.00 3.58 -0.20 -1.66 116.42 117.35 1mjg h ASP 241 Ca 0.00 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.55 1mjg h ASP 241 Cb 1.12 0.08 -0.08 0.00 1.72 0.00 0.00 39.33 42.17 1mjg h ASP 241 CO 0.11 -0.18 0.57 0.22 -2.88 0.00 0.00 179.24 177.08 1mjg h TYR 242 N -0.39 1.04 -0.09 0.28 3.20 -1.03 -0.63 116.97 119.34 1mjg h TYR 242 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1mjg h TYR 242 Cb 0.29 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1mjg h TYR 242 CO -0.05 0.41 0.06 1.15 -1.64 0.00 0.00 178.16 178.09 1mjg h THR 243 N 0.92 1.02 -0.65 1.81 2.02 -0.88 -0.79 112.91 116.36 1mjg h THR 243 Ca 0.46 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.56 1mjg h THR 243 Cb 0.45 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1mjg h THR 243 CO -0.26 0.02 0.24 1.23 0.37 0.00 0.00 175.52 177.12 1mjg h GLY 244 N 0.12 1.03 0.96 2.16 0.00 -0.63 -1.99 103.07 104.73 1mjg h GLY 244 Ca 0.04 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1mjg h GLY 244 CO -0.01 0.52 0.11 0.83 0.00 0.00 0.00 176.54 177.99 1mjg h GLU 245 N 0.94 0.27 -0.39 4.80 5.08 -0.72 -0.52 114.58 124.04 1mjg h GLU 245 Ca 0.22 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1mjg h GLU 245 Cb 0.21 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1mjg h GLU 245 CO -0.02 0.23 0.12 1.25 -1.00 0.00 0.00 179.01 179.60 1mjg h HIS 246 N 0.23 0.56 -0.34 4.33 2.76 -0.89 -0.44 115.15 121.36 1mjg h HIS 246 Ca 0.07 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 1mjg h HIS 246 Cb 0.04 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1mjg h HIS 246 CO -0.05 0.47 0.00 0.82 -1.30 0.00 0.00 177.93 177.88 1mjg h ILE 247 N 0.56 1.26 -0.44 6.26 2.04 -0.96 -1.34 117.51 124.89 1mjg h ILE 247 Ca 0.13 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1mjg h ILE 247 Cb 0.17 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1mjg h ILE 247 CO -0.01 0.32 0.28 0.00 0.00 0.00 0.00 178.15 178.74 1mjg h ALA 248 N 0.86 0.56 -0.11 1.87 0.00 -0.26 -1.57 119.26 120.61 1mjg h ALA 248 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1mjg h ALA 248 Cb 0.45 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1mjg h ALA 248 CO 0.02 0.04 0.02 1.15 0.00 0.00 0.00 179.25 180.47 1mjg h THR 249 N 0.59 1.22 -0.04 0.00 2.02 -1.04 -0.70 112.91 114.96 1mjg h THR 249 Ca 0.16 -0.68 0.03 0.00 0.77 0.00 0.00 66.41 66.69 1mjg h THR 249 Cb -0.03 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1mjg h THR 249 CO -0.03 0.20 -0.19 0.44 0.37 0.00 0.00 175.52 176.31 1mjg h ASP 250 N -0.05 -0.55 0.51 4.18 3.32 -1.13 -1.41 116.42 121.29 1mjg h ASP 250 Ca 0.03 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1mjg h ASP 250 Cb 0.29 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1mjg h ASP 250 CO 0.00 -0.25 -0.40 -0.26 -1.72 0.00 0.00 179.24 176.62 1mjg h PHE 251 N -0.28 0.00 -0.30 4.55 0.04 -1.30 -1.40 116.94 118.25 1mjg h PHE 251 Ca 0.07 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.68 1mjg h PHE 251 Cb 0.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1mjg h PHE 251 CO -0.25 0.40 -0.44 0.77 -0.60 0.00 0.00 178.31 178.19 1mjg h SER 252 N 0.00 0.83 -0.27 2.17 0.02 -0.79 -0.55 113.55 114.97 1mjg h SER 252 Ca -0.00 -0.40 -0.15 0.00 -0.84 0.00 0.00 61.79 60.40 1mjg h SER 252 Cb 0.76 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1mjg h SER 252 CO 0.05 1.15 -0.38 0.44 -1.14 0.00 0.00 176.83 176.95 1mjg h ASP 253 N 0.62 0.87 -0.48 3.07 5.19 -0.98 0.11 116.42 124.82 1mjg h ASP 253 Ca 0.04 -0.39 -0.05 0.00 -0.62 0.00 0.00 57.03 56.01 1mjg h ASP 253 Cb 1.00 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 1mjg h ASP 253 CO 0.10 1.15 0.10 0.40 -3.12 0.00 0.00 179.24 177.86 1mjg h ILE 254 N 0.67 1.24 0.10 0.35 2.04 -1.10 0.48 117.51 121.29 1mjg h ILE 254 Ca 0.06 -0.88 -0.26 0.00 1.00 0.00 0.00 64.86 64.78 1mjg h ILE 254 Cb 0.95 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1mjg h ILE 254 CO 0.09 0.31 -1.17 -0.07 0.00 0.00 0.00 178.15 177.32 1mjg h LEU 255 N 0.66 0.46 -1.04 1.44 3.38 -1.03 -0.26 115.31 118.93 1mjg h LEU 255 Ca 0.15 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1mjg h LEU 255 Cb 0.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1mjg h LEU 255 CO 0.01 1.33 -0.00 0.49 0.09 0.00 0.00 178.44 180.35 1mjg n PHE 256 N -3.60 0.00 0.00 1.13 3.01 0.38 -3.85 117.46 114.53 1mjg n PHE 256 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1mjg n PHE 256 Cb 0.97 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.44 1mjg n PHE 256 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mjg n GLY 257 N 0.11 1.60 3.70 1.37 0.00 0.17 -4.97 105.19 107.17 1mjg n GLY 257 Ca 0.01 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1mjg n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mjg s THR 258 N -1.40 4.14 0.36 2.61 2.01 -1.22 -4.50 115.64 117.63 1mjg s THR 258 Ca 0.00 1.51 -0.26 0.00 0.31 0.00 0.00 61.69 63.25 1mjg s THR 258 Cb 0.00 -3.97 -0.12 0.00 0.01 0.00 0.00 72.50 68.42 1mjg s THR 258 CO 0.00 0.07 1.04 -2.65 -0.69 0.00 0.00 174.62 172.39 1mjg n PRO 259 N 4.47 1.46 -4.22 4.92 -0.02 -1.26 -5.03 135.00 135.32 1mjg n PRO 259 Ca 0.10 0.52 -0.17 0.00 -2.02 0.00 0.00 63.50 61.93 1mjg n PRO 259 Cb 0.46 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.83 1mjg n PRO 259 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1mjg s GLN 260 N -1.81 0.98 0.10 -0.52 -0.21 -1.11 -4.10 119.66 113.00 1mjg s GLN 260 Ca 0.60 -1.22 -0.36 0.00 0.02 0.00 0.00 55.36 54.40 1mjg s GLN 260 Cb -0.61 -0.79 -0.17 0.00 1.00 0.00 0.00 33.01 32.44 1mjg s GLN 260 CO 0.59 0.14 1.31 -2.30 -2.12 0.00 0.00 175.29 172.91 1mjg n PRO 261 N 0.51 1.16 -3.88 2.91 -0.02 -1.15 -4.27 135.00 130.26 1mjg n PRO 261 Ca -0.15 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.64 1mjg n PRO 261 Cb 0.57 -2.03 -0.09 0.00 -0.02 0.00 0.00 33.50 31.93 1mjg n PRO 261 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1mjg s VAL 262 N 0.37 0.11 -0.07 -1.45 0.11 0.19 -4.95 120.40 114.71 1mjg s VAL 262 Ca 0.82 -0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1mjg s VAL 262 Cb -0.93 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 1mjg s VAL 262 CO 0.48 -0.49 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.04 1mjg s VAL 263 N -2.22 4.03 0.00 2.04 1.01 -1.26 -1.15 120.40 122.85 1mjg s VAL 263 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1mjg s VAL 263 Cb -0.03 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1mjg s VAL 263 CO -0.02 0.57 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 1mjg n SER 264 N 2.07 0.00 -4.17 3.32 2.88 0.29 -4.87 113.62 113.13 1mjg n SER 264 Ca -0.18 -0.20 -0.11 0.00 -1.33 0.00 0.00 58.87 57.06 1mjg n SER 264 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1mjg n SER 264 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1mjg s GLU 265 N 0.40 0.87 0.04 -1.46 2.02 -1.26 -0.07 118.70 119.24 1mjg s GLU 265 Ca 0.00 -1.37 -0.04 0.00 0.02 0.00 0.00 54.97 53.58 1mjg s GLU 265 Cb 0.00 -0.11 -0.02 0.00 0.10 0.00 0.00 34.13 34.11 1mjg s GLU 265 CO 0.00 -0.08 0.06 0.00 0.02 0.00 0.00 175.26 175.26 1mjg s ALA 266 N -3.72 0.04 0.00 5.21 0.00 -0.61 -2.06 121.76 120.62 1mjg s ALA 266 Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1mjg s ALA 266 Cb 0.06 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1mjg s ALA 266 CO -0.03 -0.31 0.00 -1.71 0.00 0.00 0.00 175.76 173.71 1mjg n ASN 267 N 0.78 0.00 0.07 0.00 2.85 0.12 -1.62 115.26 117.46 1mjg n ASN 267 Ca -0.19 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.48 1mjg n ASN 267 Cb 0.58 0.00 0.57 0.00 1.24 0.00 0.00 39.78 42.18 1mjg n ASN 267 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1mjg h MET 268 N 0.00 0.00 0.00 1.20 2.86 -1.07 -1.95 114.93 115.97 1mjg h MET 268 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1mjg h MET 268 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1mjg h MET 268 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1mjg n GLY 269 N -1.51 -0.85 0.00 8.32 0.00 0.97 -1.70 105.19 110.41 1mjg n GLY 269 Ca 0.10 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.35 1mjg n GLY 269 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mjg n VAL 270 N -2.06 0.46 -2.66 1.61 0.24 -0.73 -4.77 118.33 110.41 1mjg n VAL 270 Ca -0.00 0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 62.05 1mjg n VAL 270 Cb 0.06 -0.75 -0.05 0.00 -1.47 0.00 0.00 33.84 31.63 1mjg n VAL 270 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1mjg s LEU 271 N -2.86 4.18 -0.18 1.34 1.43 -0.69 -5.05 118.68 116.85 1mjg s LEU 271 Ca 0.14 1.92 -0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1mjg s LEU 271 Cb 0.14 -4.18 0.05 0.00 0.03 0.00 0.00 46.19 42.23 1mjg s LEU 271 CO 0.37 -0.33 -0.05 -0.62 0.23 0.00 0.00 176.35 175.95 1mjg s ASP 272 N -1.67 3.08 0.60 2.29 -1.08 -1.26 -5.02 116.67 113.60 1mjg s ASP 272 Ca 0.56 -0.79 0.29 0.00 -0.52 0.00 0.00 52.55 52.09 1mjg s ASP 272 Cb -0.19 -0.97 1.64 0.00 -1.46 0.00 0.00 42.92 41.95 1mjg s ASP 272 CO 0.24 -0.20 2.05 1.55 0.52 0.00 0.00 175.17 179.33 1mjg h PRO 273 N 8.08 0.00 -0.52 4.34 0.13 -1.97 -1.76 132.00 140.30 1mjg h PRO 273 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1mjg h PRO 273 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1mjg h PRO 273 CO 0.41 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 1mjg n ASP 274 N -3.69 3.34 -4.67 1.44 8.00 -1.26 -4.93 116.55 114.79 1mjg n ASP 274 Ca 0.03 -1.97 -0.29 0.00 0.71 0.00 0.00 54.79 53.26 1mjg n ASP 274 Cb 0.39 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 1mjg n ASP 274 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mjg s GLN 275 N -1.31 2.04 -0.52 -1.24 -0.21 -0.66 -1.08 119.66 116.67 1mjg s GLN 275 Ca 0.41 -2.16 -0.23 0.00 0.02 0.00 0.00 55.36 53.40 1mjg s GLN 275 Cb 0.22 -1.65 0.04 0.00 1.00 0.00 0.00 33.01 32.63 1mjg s GLN 275 CO 0.30 -0.14 0.87 0.08 -2.12 0.00 0.00 175.29 174.29 1mjg s VAL 276 N -2.74 4.50 -0.57 1.09 1.01 -0.02 -4.88 120.40 118.79 1mjg s VAL 276 Ca 0.28 0.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 1mjg s VAL 276 Cb 0.07 -4.47 0.04 0.00 0.00 0.00 0.00 36.38 32.03 1mjg s VAL 276 CO 0.15 -0.99 1.01 0.20 0.00 0.00 0.00 175.10 175.47 1mjg s ASN 277 N 2.68 6.35 -0.32 3.32 0.01 -1.26 -0.38 114.94 125.34 1mjg s ASN 277 Ca 0.29 -0.26 -0.08 0.00 -0.71 0.00 0.00 52.86 52.09 1mjg s ASN 277 Cb -0.13 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1mjg s ASN 277 CO 0.19 -1.32 0.12 0.12 -1.51 0.00 0.00 177.10 174.70 1mjg s PHE 278 N 4.25 3.18 -0.14 2.20 5.36 -0.80 -1.56 117.98 130.48 1mjg s PHE 278 Ca 0.33 -0.94 -0.18 0.00 -0.96 0.00 0.00 56.93 55.19 1mjg s PHE 278 Cb -0.11 -2.31 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 1mjg s PHE 278 CO 0.20 -0.58 0.46 0.08 -1.46 0.00 0.00 175.22 173.93 1mjg s VAL 279 N 1.52 5.19 -0.37 3.12 1.01 0.98 -1.42 120.40 130.43 1mjg s VAL 279 Ca 0.02 0.90 -0.13 0.00 0.00 0.00 0.00 61.98 62.77 1mjg s VAL 279 Cb -0.18 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1mjg s VAL 279 CO 0.04 0.30 0.26 -0.76 0.00 0.00 0.00 175.10 174.94 1mjg s LEU 280 N 0.84 4.75 0.04 3.92 1.43 0.13 -1.00 118.68 128.78 1mjg s LEU 280 Ca 0.24 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1mjg s LEU 280 Cb -0.15 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1mjg s LEU 280 CO 0.09 -0.33 -0.16 -2.28 0.23 0.00 0.00 176.35 173.91 1mjg s HIS 281 N 1.69 1.36 0.00 0.29 2.46 -0.78 -0.93 115.29 119.37 1mjg s HIS 281 Ca 0.05 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.24 1mjg s HIS 281 Cb -0.18 -0.81 0.00 0.00 -0.13 0.00 0.00 32.58 31.46 1mjg s HIS 281 CO 0.10 0.04 0.00 0.41 -2.47 0.00 0.00 174.74 172.82 1mjg n GLY 282 N 1.97 0.30 0.00 1.59 0.00 -1.25 -2.83 105.19 104.96 1mjg n GLY 282 Ca -0.17 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1mjg n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mjg n HIS 283 N 0.00 0.00 -2.97 1.61 8.25 -1.14 -1.77 115.22 119.20 1mjg n HIS 283 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1mjg n HIS 283 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1mjg n HIS 283 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1mjg s ASN 284 N -2.31 6.69 0.00 0.41 3.84 -1.26 -4.02 114.94 118.29 1mjg s ASN 284 Ca 0.00 0.79 0.16 0.00 0.21 0.00 0.00 52.86 54.02 1mjg s ASN 284 Cb 0.00 -2.40 0.79 0.00 -0.55 0.00 0.00 41.25 39.09 1mjg s ASN 284 CO 0.00 -0.52 1.46 -0.81 -2.79 0.00 0.00 177.10 174.44 1mjg n PRO 285 N 6.01 0.20 0.29 0.43 -0.04 -1.26 -2.66 135.00 137.97 1mjg n PRO 285 Ca 0.03 0.15 0.15 0.00 -0.04 0.00 0.00 63.50 63.78 1mjg n PRO 285 Cb 0.48 -1.50 0.89 0.00 -0.04 0.00 0.00 33.50 33.34 1mjg n PRO 285 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1mjg h LEU 286 N 0.00 0.00 0.00 1.53 3.38 -2.00 -1.05 115.31 117.17 1mjg h LEU 286 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mjg h LEU 286 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1mjg h LEU 286 CO 0.00 0.01 -0.34 -0.11 0.09 0.00 0.00 178.44 178.09 1mjg n LEU 287 N -3.88 1.03 -0.17 1.67 7.94 -1.09 -4.29 117.00 118.22 1mjg n LEU 287 Ca -0.03 0.42 -0.02 0.00 -1.11 0.00 0.00 56.01 55.27 1mjg n LEU 287 Cb 0.09 -0.70 0.07 0.00 0.53 0.00 0.00 43.42 43.41 1mjg n LEU 287 CO 0.28 -0.47 0.85 0.77 -1.11 0.00 0.00 177.39 177.71 1mjg h SER 288 N -0.56 -0.20 -0.96 1.96 4.64 -1.65 -1.42 113.55 115.35 1mjg h SER 288 Ca 0.00 0.12 0.15 0.00 -0.47 0.00 0.00 61.79 61.60 1mjg h SER 288 Cb 0.34 0.21 -0.10 0.00 -0.31 0.00 0.00 62.40 62.54 1mjg h SER 288 CO 0.00 -0.07 0.57 -0.33 -0.87 0.00 0.00 176.83 176.13 1mjg h GLU 289 N 0.13 0.78 -0.10 4.77 4.39 -1.44 0.63 114.58 123.74 1mjg h GLU 289 Ca 0.26 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.74 1mjg h GLU 289 Cb 0.40 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1mjg h GLU 289 CO -0.43 0.52 -0.68 0.82 -1.16 0.00 0.00 179.01 178.08 1mjg h ILE 290 N 0.81 1.37 -0.74 3.13 1.08 -1.51 -2.72 117.51 118.93 1mjg h ILE 290 Ca 0.52 -2.06 -0.02 0.00 -0.39 0.00 0.00 64.86 62.92 1mjg h ILE 290 Cb 0.69 2.04 -0.03 0.00 -3.07 0.00 0.00 36.82 36.44 1mjg h ILE 290 CO -0.34 0.62 0.38 0.40 -0.69 0.00 0.00 178.15 178.53 1mjg h ILE 291 N 0.29 1.23 -0.44 -0.67 1.08 -0.06 -0.04 117.51 118.89 1mjg h ILE 291 Ca -0.02 -0.60 0.04 0.00 -0.39 0.00 0.00 64.86 63.89 1mjg h ILE 291 Cb 1.24 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1mjg h ILE 291 CO 0.12 0.26 0.20 0.58 -0.69 0.00 0.00 178.15 178.62 1mjg h VAL 292 N 1.02 0.94 -0.21 1.67 2.07 -0.79 0.15 116.25 121.10 1mjg h VAL 292 Ca 0.26 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1mjg h VAL 292 Cb 0.07 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1mjg h VAL 292 CO -0.04 0.07 0.06 1.56 0.02 0.00 0.00 177.57 179.25 1mjg h GLN 293 N 0.41 0.33 -0.75 1.57 4.20 -1.14 -3.03 115.11 116.70 1mjg h GLN 293 Ca 0.20 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1mjg h GLN 293 Cb 0.13 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1mjg h GLN 293 CO -0.16 0.44 0.43 0.00 -0.67 0.00 0.00 178.83 178.87 1mjg h ALA 294 N 0.88 1.35 -0.85 3.87 0.00 -0.63 -2.65 119.26 121.21 1mjg h ALA 294 Ca 0.07 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1mjg h ALA 294 Cb 0.25 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1mjg h ALA 294 CO -0.00 0.55 0.55 0.00 0.00 0.00 0.00 179.25 180.35 1mjg h ALA 295 N 1.44 1.13 -0.53 0.00 0.00 -0.60 -2.56 119.26 118.13 1mjg h ALA 295 Ca 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1mjg h ALA 295 Cb -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1mjg h ALA 295 CO -0.05 0.38 0.33 0.00 0.00 0.00 0.00 179.25 179.91 1mjg h ARG 296 N 1.06 0.64 -0.88 0.00 3.08 -1.37 -2.30 114.38 114.61 1mjg h ARG 296 Ca 0.34 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 1mjg h ARG 296 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1mjg h ARG 296 CO -0.12 0.42 0.06 -0.85 -1.07 0.00 0.00 179.97 178.41 1mjg n GLU 297 N -4.77 2.22 -0.06 0.04 0.28 -0.98 -3.72 120.64 113.65 1mjg n GLU 297 Ca 0.04 -1.15 0.00 0.00 -0.16 0.00 0.00 57.16 55.89 1mjg n GLU 297 Cb 0.06 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.23 1mjg n GLU 297 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1mjg n MET 298 N 0.15 0.62 0.18 3.44 2.81 -0.87 -4.76 117.12 118.68 1mjg n MET 298 Ca 0.13 -0.82 0.14 0.00 -1.81 0.00 0.00 57.70 55.34 1mjg n MET 298 Cb 0.68 -0.63 0.73 0.00 -0.71 0.00 0.00 33.22 33.29 1mjg n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1mjg h GLU 299 N 0.00 0.00 -0.28 0.03 4.39 -1.62 -1.97 114.58 115.13 1mjg h GLU 299 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1mjg h GLU 299 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1mjg h GLU 299 CO 0.00 0.00 0.11 0.78 -1.16 0.00 0.00 179.01 178.74 1mjg h GLY 300 N 0.00 0.45 1.60 -3.84 0.00 -1.88 0.06 103.07 99.46 1mjg h GLY 300 Ca 0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1mjg h GLY 300 CO -0.00 0.23 -0.18 0.83 0.00 0.00 0.00 176.54 177.43 1mjg h GLU 301 N 0.30 0.48 -0.04 4.80 5.08 -1.72 -1.77 114.58 121.72 1mjg h GLU 301 Ca 0.09 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1mjg h GLU 301 Cb 0.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1mjg h GLU 301 CO -0.01 0.64 -0.08 0.00 -1.00 0.00 0.00 179.01 178.57 1mjg h ALA 302 N 1.38 0.06 0.00 3.43 0.00 -1.33 -1.84 119.26 120.96 1mjg h ALA 302 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1mjg h ALA 302 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1mjg h ALA 302 CO 0.04 -0.09 -0.05 0.87 0.00 0.00 0.00 179.25 180.01 1mjg h LYS 303 N -0.42 0.00 0.00 0.00 1.57 -0.93 0.49 116.57 117.28 1mjg h LYS 303 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1mjg h LYS 303 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1mjg h LYS 303 CO 0.02 0.05 -0.57 0.00 -0.57 0.00 0.00 179.45 178.39 1mjg h ALA 304 N 1.95 0.74 -0.00 3.86 0.00 -1.20 -3.08 119.26 121.53 1mjg h ALA 304 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mjg h ALA 304 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1mjg h ALA 304 CO 0.01 0.40 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 1mjg n ALA 305 N -2.21 2.67 0.00 0.00 0.00 0.02 -4.87 120.51 116.13 1mjg n ALA 305 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1mjg n ALA 305 Cb 0.66 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1mjg n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjg n GLY 306 N 1.20 1.01 3.92 0.00 0.00 -1.02 -4.74 105.19 105.56 1mjg n GLY 306 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1mjg n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg s ALA 307 N -2.00 3.97 -0.17 4.61 0.00 -0.37 -4.98 121.76 122.82 1mjg s ALA 307 Ca 0.00 -0.83 0.29 0.00 0.00 0.00 0.00 51.96 51.42 1mjg s ALA 307 Cb 0.00 -1.87 1.06 0.00 0.00 0.00 0.00 23.12 22.32 1mjg s ALA 307 CO 0.00 0.76 1.85 0.87 0.00 0.00 0.00 175.76 179.24 1mjg h LYS 308 N 2.89 0.00 0.00 0.00 1.57 -1.40 -3.26 116.57 116.37 1mjg h LYS 308 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1mjg h LYS 308 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1mjg h LYS 308 CO 0.74 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 1mjg n GLY 309 N 0.32 -1.53 3.48 3.86 0.00 -1.26 -4.89 105.19 105.17 1mjg n GLY 309 Ca 0.02 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 1mjg n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 310 N -2.90 4.50 -0.64 -0.61 1.01 -1.26 -0.84 121.20 120.46 1mjg s ILE 310 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 1mjg s ILE 310 Cb 0.00 -3.11 0.17 0.00 0.01 0.00 0.00 42.46 39.53 1mjg s ILE 310 CO 0.00 0.33 0.52 0.21 0.00 0.00 0.00 174.94 176.00 1mjg s ASN 311 N 1.55 5.91 0.05 3.58 2.47 0.49 -4.90 114.94 124.08 1mjg s ASN 311 Ca 0.06 -2.46 -0.30 0.00 0.42 0.00 0.00 52.86 50.58 1mjg s ASN 311 Cb -0.15 -2.03 -0.04 0.00 -1.45 0.00 0.00 41.25 37.57 1mjg s ASN 311 CO 0.05 -0.56 1.00 -0.76 -3.72 0.00 0.00 177.10 173.11 1mjg s LEU 312 N 0.53 4.41 0.06 3.21 1.43 -1.26 -1.90 118.68 125.16 1mjg s LEU 312 Ca 0.13 1.76 0.01 0.00 -1.03 0.00 0.00 54.13 55.00 1mjg s LEU 312 Cb -0.19 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1mjg s LEU 312 CO -0.04 -0.23 -0.06 0.68 0.23 0.00 0.00 176.35 176.93 1mjg s VAL 313 N 0.67 0.49 0.31 -1.59 -7.23 -0.51 -4.38 120.40 108.16 1mjg s VAL 313 Ca 0.51 -1.36 0.11 0.00 -1.81 0.00 0.00 61.98 59.43 1mjg s VAL 313 Cb -0.23 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 1mjg s VAL 313 CO 0.29 -0.59 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.53 1mjg s GLY 314 N -2.10 1.98 0.02 2.32 0.00 0.20 0.19 107.32 109.94 1mjg s GLY 314 Ca -0.03 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.76 1mjg s GLY 314 CO -0.02 -1.96 -0.04 -0.42 0.00 0.00 0.00 173.10 170.66 1mjg s ILE 315 N -2.53 0.25 0.00 0.90 1.01 -0.11 -0.83 121.20 119.90 1mjg s ILE 315 Ca 0.31 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1mjg s ILE 315 Cb -0.02 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.11 1mjg s ILE 315 CO 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 174.94 174.78 1mjg h THR 318 N 1.28 1.19 -0.00 0.00 1.35 -1.48 0.25 112.91 115.49 1mjg h THR 318 Ca 0.35 -0.87 0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1mjg h THR 318 Cb -0.14 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1mjg h THR 318 CO -0.08 0.26 -0.03 1.23 -0.25 0.00 0.00 175.52 176.65 1mjg h GLY 319 N 0.78 -0.03 1.03 5.82 0.00 -0.79 -1.13 103.07 108.74 1mjg h GLY 319 Ca 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1mjg h GLY 319 CO 0.03 -0.04 0.41 3.43 0.00 0.00 0.00 176.54 180.37 1mjg h ASN 320 N -0.06 1.07 0.01 0.19 2.35 -0.00 -1.81 115.58 117.33 1mjg h ASN 320 Ca 0.02 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1mjg h ASN 320 Cb 0.08 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1mjg h ASN 320 CO -0.04 0.89 -0.24 -0.33 -1.65 0.00 0.00 177.43 176.07 1mjg h GLU 321 N 1.17 -0.36 0.00 0.81 4.39 0.04 0.98 114.58 121.60 1mjg h GLU 321 Ca 0.29 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1mjg h GLU 321 Cb 0.09 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1mjg h GLU 321 CO -0.04 -0.24 0.00 -0.39 -1.16 0.00 0.00 179.01 177.18 1mjg h VAL 322 N -0.38 0.00 0.02 3.13 -1.51 -1.14 -2.39 116.25 113.98 1mjg h VAL 322 Ca 0.06 -0.49 -0.08 0.00 -1.23 0.00 0.00 66.70 64.96 1mjg h VAL 322 Cb 0.45 1.40 0.01 0.00 -2.13 0.00 0.00 31.29 31.02 1mjg h VAL 322 CO -0.21 0.00 -0.32 0.25 -1.23 0.00 0.00 177.57 176.06 1mjg h LEU 323 N 0.00 0.25 -1.54 4.19 5.85 -0.76 0.17 115.31 123.47 1mjg h LEU 323 Ca 0.00 -0.83 -0.02 0.00 0.84 0.00 0.00 57.88 57.87 1mjg h LEU 323 Cb 0.62 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1mjg h LEU 323 CO 0.00 1.06 0.11 0.24 -0.34 0.00 0.00 178.44 179.51 1mjg h MET 324 N -0.52 0.41 0.00 1.25 2.86 -0.69 -1.67 114.93 116.58 1mjg h MET 324 Ca -0.05 -0.05 -0.24 0.00 -2.06 0.00 0.00 59.70 57.31 1mjg h MET 324 Cb 1.12 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.66 1mjg h MET 324 CO 0.06 0.35 -1.90 0.54 1.06 0.00 0.00 176.91 177.03 1mjg n ARG 325 N -4.41 1.74 0.00 1.72 1.74 -0.91 -4.16 116.66 112.38 1mjg n ARG 325 Ca 0.01 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.12 1mjg n ARG 325 Cb 0.14 -1.33 0.01 0.00 -1.02 0.00 0.00 32.46 30.26 1mjg n ARG 325 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1mjg n GLN 326 N -2.53 0.31 -1.14 5.56 1.13 0.53 -4.99 117.38 116.25 1mjg n GLN 326 Ca -0.22 -0.68 -0.05 0.00 -1.94 0.00 0.00 57.00 54.12 1mjg n GLN 326 Cb 0.91 -1.04 -0.02 0.00 0.11 0.00 0.00 30.24 30.20 1mjg n GLN 326 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mjg n GLY 327 N 0.35 0.70 3.72 1.08 0.00 -0.63 -4.94 105.19 105.47 1mjg n GLY 327 Ca 0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1mjg n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 328 N -1.95 2.66 0.60 -0.61 -1.09 -0.90 -4.72 121.20 115.18 1mjg s ILE 328 Ca 0.00 0.47 -0.17 0.00 -2.23 0.00 0.00 60.65 58.72 1mjg s ILE 328 Cb 0.00 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 1mjg s ILE 328 CO 0.00 0.04 1.10 -2.16 -1.23 0.00 0.00 174.94 172.69 1mjg s PRO 329 N 1.14 3.14 -0.16 2.79 0.04 -1.26 -3.97 135.00 136.72 1mjg s PRO 329 Ca 0.70 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 1mjg s PRO 329 Cb -0.43 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1mjg s PRO 329 CO 0.31 -0.98 0.27 -0.51 0.04 0.00 0.00 177.00 176.13 1mjg s LEU 330 N -4.36 4.25 -0.16 -3.56 1.43 -0.87 -0.63 118.68 114.77 1mjg s LEU 330 Ca 0.68 0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 53.99 1mjg s LEU 330 Cb -0.20 -2.33 -0.24 0.00 0.03 0.00 0.00 46.19 43.45 1mjg s LEU 330 CO 0.34 0.13 0.60 0.58 0.23 0.00 0.00 176.35 178.23 1mjg h VAL 331 N 4.64 1.52 -2.74 -1.59 2.07 -1.22 0.35 116.25 119.27 1mjg h VAL 331 Ca -0.42 -2.27 0.08 0.00 0.82 0.00 0.00 66.70 64.91 1mjg h VAL 331 Cb 1.17 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.92 1mjg h VAL 331 CO 0.75 0.51 0.43 0.28 0.02 0.00 0.00 177.57 179.57 1mjg s THR 332 N -2.25 0.00 0.25 2.57 -1.32 -1.25 -0.86 115.64 112.78 1mjg s THR 332 Ca -0.21 -0.78 0.03 0.00 -1.21 0.00 0.00 61.69 59.52 1mjg s THR 332 Cb -0.00 -2.82 0.03 0.00 -1.51 0.00 0.00 72.50 68.20 1mjg s THR 332 CO 0.65 0.00 0.27 -1.54 -2.21 0.00 0.00 174.62 171.79 1mjg n SER 333 N -1.25 1.32 -0.07 8.08 3.41 -1.26 -3.96 113.62 119.88 1mjg n SER 333 Ca -0.05 -1.75 -0.04 0.00 -0.26 0.00 0.00 58.87 56.76 1mjg n SER 333 Cb 0.60 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1mjg n SER 333 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1mjg h PHE 334 N 0.29 -0.57 -0.61 7.33 3.57 -1.94 -2.89 116.94 122.11 1mjg h PHE 334 Ca -0.14 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.57 1mjg h PHE 334 Cb 0.56 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1mjg h PHE 334 CO 0.00 -0.15 0.52 0.00 -2.23 0.00 0.00 178.31 176.45 1mjg h ALA 335 N -0.79 2.45 -0.28 2.41 0.00 -1.97 -2.43 119.26 118.65 1mjg h ALA 335 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1mjg h ALA 335 Cb 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1mjg h ALA 335 CO -0.22 -0.84 0.00 -1.13 0.00 0.00 0.00 179.25 177.06 1mjg n SER 336 N -4.00 3.71 -0.12 0.00 3.41 -1.11 -4.69 113.62 110.83 1mjg n SER 336 Ca 0.12 -3.12 0.08 0.00 -0.26 0.00 0.00 58.87 55.69 1mjg n SER 336 Cb 0.76 -0.56 0.42 0.00 -0.26 0.00 0.00 64.21 64.57 1mjg n SER 336 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1mjg h GLN 337 N 1.68 0.58 -0.38 4.33 3.07 -1.28 -2.00 115.11 121.11 1mjg h GLN 337 Ca 0.04 -0.03 -0.15 0.00 0.09 0.00 0.00 58.65 58.59 1mjg h GLN 337 Cb 1.49 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.91 1mjg h GLN 337 CO 0.25 0.38 -0.33 0.93 0.09 0.00 0.00 178.83 180.15 1mjg h GLU 338 N 0.59 0.90 0.00 0.06 5.08 -1.85 -3.07 114.58 116.29 1mjg h GLU 338 Ca 0.28 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1mjg h GLU 338 Cb 0.33 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1mjg h GLU 338 CO -0.08 1.11 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.93 1mjg h LEU 339 N 0.71 0.00 -1.15 1.33 3.38 -1.71 -0.46 115.31 117.42 1mjg h LEU 339 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1mjg h LEU 339 Cb 0.92 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1mjg h LEU 339 CO 0.08 0.03 0.51 0.00 0.09 0.00 0.00 178.44 179.15 1mjg h ALA 340 N 1.97 1.37 -0.15 1.53 0.00 -1.41 -1.08 119.26 121.50 1mjg h ALA 340 Ca -0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1mjg h ALA 340 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1mjg h ALA 340 CO 0.00 0.56 -0.39 0.82 0.00 0.00 0.00 179.25 180.24 1mjg h ILE 341 N 1.11 1.30 0.00 0.00 2.04 -1.18 -2.68 117.51 118.10 1mjg h ILE 341 Ca 0.29 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1mjg h ILE 341 Cb -0.08 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1mjg h ILE 341 CO -0.06 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.54 1mjg h THR 343 N 0.00 0.08 0.00 0.00 1.35 -1.39 -3.46 112.91 109.49 1mjg h THR 343 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1mjg h THR 343 Cb 0.10 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1mjg h THR 343 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1mjg n GLY 344 N 0.26 0.87 0.70 5.82 0.00 -0.41 -0.80 105.19 111.62 1mjg n GLY 344 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1mjg n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 345 N 1.00 2.45 -2.63 4.61 0.00 -1.26 -4.81 120.51 119.87 1mjg n ALA 345 Ca 0.00 -0.68 -0.43 0.00 0.00 0.00 0.00 53.44 52.33 1mjg n ALA 345 Cb 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 1mjg n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mjg s ILE 346 N -1.37 4.49 0.02 0.00 -1.09 -1.26 -4.35 121.20 117.64 1mjg s ILE 346 Ca 0.21 1.56 0.10 0.00 -2.23 0.00 0.00 60.65 60.29 1mjg s ILE 346 Cb 0.14 -4.42 -0.22 0.00 -1.58 0.00 0.00 42.46 36.38 1mjg s ILE 346 CO 0.21 -0.55 0.91 0.44 -1.23 0.00 0.00 174.94 174.72 1mjg h ASP 347 N 8.30 0.02 -3.75 3.58 3.32 -1.62 -3.41 116.42 122.86 1mjg h ASP 347 Ca -0.21 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1mjg h ASP 347 Cb 1.06 -0.01 -0.21 0.00 0.22 0.00 0.00 39.33 40.39 1mjg h ASP 347 CO 1.03 1.02 0.14 0.00 -1.72 0.00 0.00 179.24 179.71 1mjg s ALA 348 N -2.64 -1.82 -0.30 3.45 0.00 -1.13 -2.40 121.76 116.92 1mjg s ALA 348 Ca -0.03 2.09 0.03 0.00 0.00 0.00 0.00 51.96 54.05 1mjg s ALA 348 Cb 0.09 -1.25 0.08 0.00 0.00 0.00 0.00 23.12 22.04 1mjg s ALA 348 CO 0.82 -0.34 -0.01 1.41 0.00 0.00 0.00 175.76 177.65 1mjg s MET 349 N 0.60 1.65 -0.20 0.00 1.75 -0.30 -0.01 119.30 122.79 1mjg s MET 349 Ca -0.02 -1.54 -0.16 0.00 -1.25 0.00 0.00 55.69 52.73 1mjg s MET 349 Cb -0.05 -2.93 -0.04 0.00 2.84 0.00 0.00 34.83 34.66 1mjg s MET 349 CO -0.03 -0.79 0.40 0.00 -0.65 0.00 0.00 175.02 173.95 1mjg s VAL 351 N 1.32 1.38 0.00 0.00 0.11 0.54 -1.87 120.40 121.87 1mjg s VAL 351 Ca 0.19 -1.77 0.00 0.00 -2.93 0.00 0.00 61.98 57.47 1mjg s VAL 351 Cb -0.15 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 1mjg s VAL 351 CO 0.08 -0.43 0.00 -0.90 -3.33 0.00 0.00 175.10 170.52 1mjg n ASP 352 N 0.45 0.00 -4.10 3.54 5.68 -1.13 -2.11 116.55 118.87 1mjg n ASP 352 Ca -0.15 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.04 1mjg n ASP 352 Cb 0.57 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.45 1mjg n ASP 352 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1mjg s VAL 353 N 0.02 0.50 0.19 2.12 -7.23 -1.26 -4.40 120.40 110.34 1mjg s VAL 353 Ca 0.00 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1mjg s VAL 353 Cb 0.00 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.81 1mjg s VAL 353 CO 0.00 -0.69 0.00 0.00 -0.31 0.00 0.00 175.10 174.10 1mjg n GLN 354 N 0.68 -2.52 -2.81 4.82 6.02 -1.26 -2.90 117.38 119.40 1mjg n GLN 354 Ca -0.17 1.82 -0.22 0.00 -0.01 0.00 0.00 57.00 58.42 1mjg n GLN 354 Cb 0.58 -2.01 0.02 0.00 1.02 0.00 0.00 30.24 29.85 1mjg n GLN 354 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mjg s ILE 356 N -3.13 4.45 -0.24 0.00 1.01 -1.26 -4.95 121.20 117.08 1mjg s ILE 356 Ca 0.20 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1mjg s ILE 356 Cb -0.09 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1mjg s ILE 356 CO 0.25 -0.23 1.79 -0.04 0.00 0.00 0.00 174.94 176.71 1mjg s MET 357 N 1.53 3.56 0.26 2.79 -1.94 -1.26 -4.83 119.30 119.40 1mjg s MET 357 Ca 0.01 1.69 0.19 0.00 -1.71 0.00 0.00 55.69 55.87 1mjg s MET 357 Cb -0.19 -4.15 0.98 0.00 2.01 0.00 0.00 34.83 33.47 1mjg s MET 357 CO 0.06 -1.59 1.59 -0.35 -0.01 0.00 0.00 175.02 174.72 1mjg n PRO 358 N 8.09 0.13 0.05 2.03 -0.04 -1.26 -1.78 135.00 142.23 1mjg n PRO 358 Ca 0.22 0.56 0.08 0.00 -0.04 0.00 0.00 63.50 64.32 1mjg n PRO 358 Cb 0.45 -1.87 0.34 0.00 -0.04 0.00 0.00 33.50 32.38 1mjg n PRO 358 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mjg n SER 359 N -2.14 0.25 0.28 3.54 3.41 -1.26 -2.74 113.62 114.95 1mjg n SER 359 Ca -0.00 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 1mjg n SER 359 Cb 0.07 -0.62 0.84 0.00 -0.26 0.00 0.00 64.21 64.24 1mjg n SER 359 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1mjg h ILE 360 N 0.00 0.64 -0.20 -1.33 3.07 -1.75 -0.04 117.51 117.91 1mjg h ILE 360 Ca 0.00 0.00 -0.17 0.00 1.55 0.00 0.00 64.86 66.24 1mjg h ILE 360 Cb 0.22 0.98 -0.00 0.00 -0.27 0.00 0.00 36.82 37.74 1mjg h ILE 360 CO 0.00 0.00 -0.57 0.77 -1.05 0.00 0.00 178.15 177.30 1mjg h SER 361 N 0.00 0.70 -0.00 2.16 4.64 -1.78 0.23 113.55 119.49 1mjg h SER 361 Ca 0.01 -0.38 -0.19 0.00 -0.47 0.00 0.00 61.79 60.76 1mjg h SER 361 Cb 0.06 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1mjg h SER 361 CO -0.00 1.12 -0.65 0.00 -0.87 0.00 0.00 176.83 176.43 1mjg h ALA 362 N 0.89 0.54 -0.17 5.18 0.00 -1.34 -2.54 119.26 121.81 1mjg h ALA 362 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1mjg h ALA 362 Cb 1.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1mjg h ALA 362 CO 0.11 0.71 -0.24 0.28 0.00 0.00 0.00 179.25 180.11 1mjg h VAL 363 N 0.45 1.35 -0.00 0.00 2.07 -0.98 -3.08 116.25 116.06 1mjg h VAL 363 Ca -0.02 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1mjg h VAL 363 Cb 1.24 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1mjg h VAL 363 CO 0.13 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1mjg h ALA 364 N 0.60 1.96 0.00 1.67 0.00 -0.55 -1.27 119.26 121.67 1mjg h ALA 364 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mjg h ALA 364 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1mjg h ALA 364 CO 0.06 -0.00 -0.01 1.49 0.00 0.00 0.00 179.25 180.78 1mjg h GLU 365 N 0.00 0.00 0.00 0.00 4.81 -1.36 0.27 114.58 118.31 1mjg h GLU 365 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mjg h GLU 365 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1mjg h GLU 365 CO -0.00 0.01 -0.17 0.00 -0.73 0.00 0.00 179.01 178.12 1mjg n TYR 367 N -2.35 0.00 -3.22 0.00 4.02 -0.23 -5.02 117.16 110.36 1mjg n TYR 367 Ca 0.05 -0.33 -0.23 0.00 -0.01 0.00 0.00 57.90 57.37 1mjg n TYR 367 Cb 0.45 -0.03 0.05 0.00 -0.02 0.00 0.00 39.34 39.78 1mjg n TYR 367 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1mjg n HIS 368 N -0.33 -2.25 -3.54 -0.72 8.25 -0.08 -4.99 115.22 111.56 1mjg n HIS 368 Ca 0.00 0.68 -0.34 0.00 -0.26 0.00 0.00 57.72 57.80 1mjg n HIS 368 Cb 0.31 -4.62 -0.05 0.00 1.12 0.00 0.00 29.99 26.74 1mjg n HIS 368 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1mjg s THR 369 N -3.22 5.05 -0.26 1.59 2.01 -1.08 -4.94 115.64 114.78 1mjg s THR 369 Ca 0.40 0.48 -0.16 0.00 0.31 0.00 0.00 61.69 62.72 1mjg s THR 369 Cb -0.18 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1mjg s THR 369 CO 0.50 0.23 0.42 -0.13 -0.69 0.00 0.00 174.62 174.95 1mjg s ARG 370 N -2.06 4.05 -0.16 4.92 1.81 -1.01 -4.69 118.95 121.80 1mjg s ARG 370 Ca 0.36 0.15 -0.12 0.00 -1.72 0.00 0.00 55.73 54.40 1mjg s ARG 370 Cb -0.14 -3.64 -0.05 0.00 -0.45 0.00 0.00 34.95 30.67 1mjg s ARG 370 CO 0.19 -0.28 0.23 0.42 -0.68 0.00 0.00 175.30 175.18 1mjg s ILE 371 N 2.08 5.35 -0.18 1.52 -1.09 -1.26 -1.14 121.20 126.47 1mjg s ILE 371 Ca 0.17 0.41 -0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1mjg s ILE 371 Cb -0.16 -3.56 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1mjg s ILE 371 CO 0.09 0.43 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.54 1mjg s ILE 372 N 0.26 1.31 0.34 2.92 1.01 -0.56 -1.29 121.20 125.18 1mjg s ILE 372 Ca 0.14 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1mjg s ILE 372 Cb -0.12 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1mjg s ILE 372 CO 0.02 0.11 0.61 0.42 0.00 0.00 0.00 174.94 176.10 1mjg s THR 373 N 1.54 4.99 0.00 2.92 -4.23 -0.02 -0.34 115.64 120.50 1mjg s THR 373 Ca -0.01 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1mjg s THR 373 Cb -0.16 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1mjg s THR 373 CO -0.08 -0.45 0.00 0.35 -0.54 0.00 0.00 174.62 173.90 1mjg n THR 374 N -1.27 0.00 -3.78 3.99 -2.24 -0.90 -1.12 114.28 108.96 1mjg n THR 374 Ca -0.01 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 1mjg n THR 374 Cb 0.54 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 1mjg n THR 374 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mjg s ALA 375 N -0.19 3.83 -0.90 6.98 0.00 -1.26 -2.60 121.76 127.62 1mjg s ALA 375 Ca 0.00 -0.53 0.17 0.00 0.00 0.00 0.00 51.96 51.60 1mjg s ALA 375 Cb 0.00 -2.08 0.74 0.00 0.00 0.00 0.00 23.12 21.78 1mjg s ALA 375 CO 0.00 0.59 1.55 -0.40 0.00 0.00 0.00 175.76 177.50 1mjg n ASP 376 N 1.87 0.13 -0.78 0.00 5.68 -1.26 -2.65 116.55 119.55 1mjg n ASP 376 Ca -0.18 0.53 0.07 0.00 -0.50 0.00 0.00 54.79 54.72 1mjg n ASP 376 Cb 0.54 -0.56 0.22 0.00 -1.14 0.00 0.00 41.12 40.18 1mjg n ASP 376 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1mjg n ASN 377 N -1.64 3.49 -3.18 -1.12 2.04 -1.26 -4.79 115.26 108.80 1mjg n ASN 377 Ca 0.04 -2.63 -0.11 0.00 -0.44 0.00 0.00 54.58 51.43 1mjg n ASN 377 Cb 0.20 -0.42 -0.04 0.00 -2.53 0.00 0.00 39.78 36.99 1mjg n ASN 377 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1mjg s ALA 378 N -2.14 -0.99 0.15 -2.53 0.00 -1.08 -5.05 121.76 110.12 1mjg s ALA 378 Ca 0.34 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.56 1mjg s ALA 378 Cb 0.26 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1mjg s ALA 378 CO 0.11 -2.16 -0.06 0.15 0.00 0.00 0.00 175.76 173.80 1mjg s LYS 379 N 1.15 2.21 -0.15 0.00 1.02 -1.26 -4.42 119.74 118.28 1mjg s LYS 379 Ca 0.23 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 55.07 1mjg s LYS 379 Cb -0.06 -2.28 0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1mjg s LYS 379 CO -0.07 0.47 -0.01 0.42 -0.92 0.00 0.00 175.35 175.24 1mjg s ILE 380 N -1.56 0.73 0.39 2.17 1.01 -1.26 -5.10 121.20 117.58 1mjg s ILE 380 Ca 0.25 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 1mjg s ILE 380 Cb -0.10 -1.01 -0.11 0.00 0.01 0.00 0.00 42.46 41.25 1mjg s ILE 380 CO 0.16 0.05 1.34 -2.65 0.00 0.00 0.00 174.94 173.84 1mjg n PRO 381 N 5.00 2.19 0.00 2.79 -0.02 -1.26 -1.42 135.00 142.28 1mjg n PRO 381 Ca -0.10 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1mjg n PRO 381 Cb 0.48 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1mjg n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjg n GLY 382 N 0.70 3.36 3.83 -1.23 0.00 -1.26 -4.89 105.19 105.70 1mjg n GLY 382 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1mjg n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg s ALA 383 N -2.48 3.73 0.51 4.61 0.00 -0.51 -4.92 121.76 122.70 1mjg s ALA 383 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 1mjg s ALA 383 Cb 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 1mjg s ALA 383 CO 0.00 0.70 1.27 0.71 0.00 0.00 0.00 175.76 178.43 1mjg s TYR 384 N -1.20 2.55 -0.05 0.00 4.12 -0.41 -4.82 117.35 117.53 1mjg s TYR 384 Ca 0.23 1.45 0.04 0.00 0.02 0.00 0.00 57.07 58.81 1mjg s TYR 384 Cb -0.12 -3.60 -0.00 0.00 -1.52 0.00 0.00 41.96 36.72 1mjg s TYR 384 CO 0.14 -2.25 -0.17 -1.58 0.02 0.00 0.00 175.55 171.70 1mjg s HIS 385 N -1.42 1.75 -0.14 2.71 5.65 -1.26 -0.84 115.29 121.73 1mjg s HIS 385 Ca 0.68 -0.54 0.02 0.00 0.25 0.00 0.00 55.06 55.48 1mjg s HIS 385 Cb -0.35 -1.19 0.01 0.00 -1.18 0.00 0.00 32.58 29.87 1mjg s HIS 385 CO 0.41 -0.20 -0.20 0.42 -0.65 0.00 0.00 174.74 174.52 1mjg s ILE 386 N 0.13 2.24 -1.26 0.89 1.01 -0.28 -4.96 121.20 118.97 1mjg s ILE 386 Ca -0.06 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 1mjg s ILE 386 Cb -0.12 -1.91 0.08 0.00 0.01 0.00 0.00 42.46 40.52 1mjg s ILE 386 CO 0.03 0.54 1.68 -0.62 0.00 0.00 0.00 174.94 176.57 1mjg s ASP 387 N 0.76 6.83 0.04 3.58 2.15 -1.26 -4.05 116.67 124.72 1mjg s ASP 387 Ca -0.08 -2.41 -0.30 0.00 0.43 0.00 0.00 52.55 50.18 1mjg s ASP 387 Cb -0.16 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.82 1mjg s ASP 387 CO -0.00 -1.16 1.71 -0.47 -0.17 0.00 0.00 175.17 175.08 1mjg s TYR 388 N 4.04 2.15 -0.01 -5.34 5.04 -1.07 -5.02 117.35 117.14 1mjg s TYR 388 Ca 0.52 0.16 0.05 0.00 -2.44 0.00 0.00 57.07 55.36 1mjg s TYR 388 Cb 0.03 -4.01 -0.01 0.00 0.35 0.00 0.00 41.96 38.32 1mjg s TYR 388 CO 0.06 -4.18 -0.16 -0.65 -1.34 0.00 0.00 175.55 169.28 1mjg s GLN 389 N 3.19 1.25 0.30 4.97 -0.21 -1.26 -4.94 119.66 122.96 1mjg s GLN 389 Ca 0.76 -0.57 0.03 0.00 0.02 0.00 0.00 55.36 55.61 1mjg s GLN 389 Cb -0.39 -1.21 0.62 0.00 1.00 0.00 0.00 33.01 33.03 1mjg s GLN 389 CO 0.33 0.33 1.85 1.79 -2.12 0.00 0.00 175.29 177.48 1mjg h THR 390 N 4.74 0.91 0.00 -0.19 1.35 -1.95 -1.54 112.91 116.24 1mjg h THR 390 Ca -0.36 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1mjg h THR 390 Cb 1.16 -0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1mjg h THR 390 CO 0.48 0.17 -0.00 0.00 -0.25 0.00 0.00 175.52 175.92 1mjg h ALA 391 N 1.55 1.88 -0.41 6.62 0.00 -1.95 -3.04 119.26 123.90 1mjg h ALA 391 Ca 0.47 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.08 1mjg h ALA 391 Cb 0.52 -0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.96 1mjg h ALA 391 CO -0.24 0.00 -0.92 0.25 0.00 0.00 0.00 179.25 178.35 1mjg n THR 392 N -4.36 1.64 -0.13 0.00 -2.24 -0.75 -4.73 114.28 103.71 1mjg n THR 392 Ca -0.03 -3.11 -0.04 0.00 -2.27 0.00 0.00 64.05 58.60 1mjg n THR 392 Cb 0.09 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 68.56 1mjg n THR 392 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mjg h ALA 393 N 1.98 0.40 -0.47 6.98 0.00 -1.19 -2.78 119.26 124.18 1mjg h ALA 393 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1mjg h ALA 393 Cb 1.42 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1mjg h ALA 393 CO 0.34 -0.39 0.19 0.97 0.00 0.00 0.00 179.25 180.36 1mjg h ILE 394 N 0.11 0.89 -0.63 0.00 6.09 -1.89 0.29 117.51 122.37 1mjg h ILE 394 Ca 0.22 -0.13 -0.00 0.00 -1.37 0.00 0.00 64.86 63.57 1mjg h ILE 394 Cb 0.31 0.47 -0.03 0.00 0.47 0.00 0.00 36.82 38.04 1mjg h ILE 394 CO -0.36 0.07 0.38 -0.33 -3.07 0.00 0.00 178.15 174.83 1mjg h GLU 395 N 0.39 0.85 -0.59 2.19 5.08 -1.91 -0.76 114.58 119.82 1mjg h GLU 395 Ca 0.22 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1mjg h GLU 395 Cb 0.19 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1mjg h GLU 395 CO -0.20 0.61 0.18 0.77 -1.00 0.00 0.00 179.01 179.37 1mjg h SER 396 N 0.85 0.86 -0.43 1.42 0.02 -1.18 -1.03 113.55 114.06 1mjg h SER 396 Ca 0.22 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1mjg h SER 396 Cb -0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1mjg h SER 396 CO -0.04 0.84 0.29 0.00 -1.14 0.00 0.00 176.83 176.78 1mjg h ALA 397 N 1.05 0.55 -0.58 3.77 0.00 -0.49 -0.95 119.26 122.61 1mjg h ALA 397 Ca 0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1mjg h ALA 397 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1mjg h ALA 397 CO -0.01 0.00 0.08 0.87 0.00 0.00 0.00 179.25 180.20 1mjg h LYS 398 N 0.58 0.94 -0.52 0.00 1.57 -0.95 -1.44 116.57 116.76 1mjg h LYS 398 Ca 0.16 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1mjg h LYS 398 Cb -0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1mjg h LYS 398 CO -0.03 0.88 0.29 1.15 -0.57 0.00 0.00 179.45 181.17 1mjg h THR 399 N 0.89 1.17 -0.29 -0.16 2.02 -0.76 0.10 112.91 115.88 1mjg h THR 399 Ca 0.18 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1mjg h THR 399 Cb 0.41 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1mjg h THR 399 CO 0.01 0.19 0.13 0.00 0.37 0.00 0.00 175.52 176.21 1mjg h ALA 400 N 1.13 0.38 -0.67 6.16 0.00 -0.88 -1.99 119.26 123.38 1mjg h ALA 400 Ca 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 400 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1mjg h ALA 400 CO -0.03 -0.03 0.40 0.82 0.00 0.00 0.00 179.25 180.41 1mjg h ILE 401 N 0.33 1.19 -0.18 0.00 2.04 -1.02 -1.65 117.51 118.22 1mjg h ILE 401 Ca 0.10 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1mjg h ILE 401 Cb 0.16 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1mjg h ILE 401 CO -0.01 0.20 0.03 0.03 0.00 0.00 0.00 178.15 178.40 1mjg h ARG 402 N 0.91 0.26 -0.56 2.37 3.08 -0.79 -0.20 114.38 119.44 1mjg h ARG 402 Ca 0.24 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1mjg h ARG 402 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1mjg h ARG 402 CO -0.04 0.26 0.02 0.52 -1.07 0.00 0.00 179.97 179.66 1mjg h MET 403 N 0.26 0.98 -0.71 0.04 2.86 -0.56 -1.62 114.93 116.19 1mjg h MET 403 Ca 0.06 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 1mjg h MET 403 Cb 0.14 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1mjg h MET 403 CO -0.00 0.98 0.20 0.00 1.06 0.00 0.00 176.91 179.15 1mjg h ALA 404 N 0.97 0.93 -0.74 6.32 0.00 -0.52 -1.63 119.26 124.60 1mjg h ALA 404 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1mjg h ALA 404 Cb 0.52 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1mjg h ALA 404 CO 0.03 0.63 0.34 0.82 0.00 0.00 0.00 179.25 181.07 1mjg h ILE 405 N 1.06 1.24 -0.70 0.00 2.04 -0.80 -0.02 117.51 120.33 1mjg h ILE 405 Ca 0.23 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1mjg h ILE 405 Cb 0.33 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1mjg h ILE 405 CO -0.00 0.29 0.21 -0.33 0.00 0.00 0.00 178.15 178.31 1mjg h GLU 406 N 1.03 1.08 -0.06 2.37 4.39 -1.00 -1.72 114.58 120.68 1mjg h GLU 406 Ca 0.25 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1mjg h GLU 406 Cb 0.13 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1mjg h GLU 406 CO -0.03 0.92 -0.25 0.00 -1.16 0.00 0.00 179.01 178.49 1mjg h ALA 407 N 1.19 1.47 0.19 3.43 0.00 -0.63 -2.30 119.26 122.61 1mjg h ALA 407 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1mjg h ALA 407 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1mjg h ALA 407 CO -0.01 0.39 -0.09 0.35 0.00 0.00 0.00 179.25 179.89 1mjg h PHE 408 N 0.09 -0.23 -0.33 0.00 3.57 -0.17 -1.42 116.94 118.46 1mjg h PHE 408 Ca 0.02 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1mjg h PHE 408 Cb 0.51 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 1mjg h PHE 408 CO 0.00 0.06 -0.11 0.87 -2.23 0.00 0.00 178.31 176.91 1mjg h LYS 409 N -0.52 -0.03 -0.63 1.11 1.57 -1.15 -0.60 116.57 116.31 1mjg h LYS 409 Ca -0.03 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1mjg h LYS 409 Cb 0.40 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1mjg h LYS 409 CO 0.04 -0.02 0.42 0.93 -0.57 0.00 0.00 179.45 180.25 1mjg h GLU 410 N -0.03 0.80 0.00 3.15 5.08 -1.39 0.15 114.58 122.33 1mjg h GLU 410 Ca 0.16 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1mjg h GLU 410 Cb 0.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1mjg h GLU 410 CO -0.36 0.53 -0.45 -0.09 -1.00 0.00 0.00 179.01 177.64 1mjg h ARG 411 N 0.82 0.00 0.06 2.33 2.43 -0.04 -3.30 114.38 116.68 1mjg h ARG 411 Ca 0.24 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.16 1mjg h ARG 411 Cb -0.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1mjg h ARG 411 CO -0.06 0.45 -1.32 0.87 -1.51 0.00 0.00 179.97 178.41 1mjg h LYS 412 N 0.00 0.12 -2.04 0.20 1.79 -0.20 -3.37 116.57 113.07 1mjg h LYS 412 Ca -0.00 -0.21 -0.05 0.00 -2.18 0.00 0.00 60.65 58.21 1mjg h LYS 412 Cb 0.80 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 1mjg h LYS 412 CO 0.06 1.10 -0.08 -0.85 -1.08 0.00 0.00 179.45 178.60 1mjg n GLU 413 N -4.13 1.11 -3.69 3.15 0.28 0.43 -4.71 120.64 113.08 1mjg n GLU 413 Ca -0.28 -0.26 -0.05 0.00 -0.16 0.00 0.00 57.16 56.41 1mjg n GLU 413 Cb 0.79 -1.33 -0.02 0.00 1.43 0.00 0.00 31.44 32.32 1mjg n GLU 413 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1mjg s SER 414 N 2.04 -0.24 -0.21 -1.84 1.04 -1.25 -4.95 113.70 108.30 1mjg s SER 414 Ca 0.17 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.01 1mjg s SER 414 Cb 0.08 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1mjg s SER 414 CO 0.00 -0.87 1.90 0.21 0.98 0.00 0.00 173.24 175.46 1mjg s ASN 415 N -2.83 5.99 -0.83 7.02 3.84 -1.26 -4.92 114.94 121.95 1mjg s ASN 415 Ca 0.10 1.79 -0.04 0.00 0.21 0.00 0.00 52.86 54.92 1mjg s ASN 415 Cb -0.02 -2.52 0.21 0.00 -0.55 0.00 0.00 41.25 38.37 1mjg s ASN 415 CO -0.01 -1.55 0.71 0.00 -2.79 0.00 0.00 177.10 173.47 1mjg s ARG 416 N 5.39 3.19 -0.95 0.43 1.70 -1.26 -4.98 118.95 122.47 1mjg s ARG 416 Ca 0.85 -3.00 -0.23 0.00 -0.47 0.00 0.00 55.73 52.88 1mjg s ARG 416 Cb -0.29 -3.99 -0.14 0.00 -0.57 0.00 0.00 34.95 29.95 1mjg s ARG 416 CO 0.34 -1.24 1.92 -2.30 -1.08 0.00 0.00 175.30 172.94 1mjg n PRO 417 N 2.82 1.35 -3.22 3.89 -0.02 -1.26 -4.89 135.00 133.67 1mjg n PRO 417 Ca 0.17 -2.10 -0.39 0.00 -2.02 0.00 0.00 63.50 59.16 1mjg n PRO 417 Cb 0.38 -3.38 -0.06 0.00 -0.02 0.00 0.00 33.50 30.43 1mjg n PRO 417 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mjg s VAL 418 N 9.11 4.93 -0.08 -1.45 1.01 -1.26 -4.69 120.40 127.96 1mjg s VAL 418 Ca 0.66 1.21 -0.03 0.00 0.00 0.00 0.00 61.98 63.82 1mjg s VAL 418 Cb 0.05 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.56 1mjg s VAL 418 CO 0.15 0.42 0.08 -0.47 0.00 0.00 0.00 175.10 175.28 1mjg s TYR 419 N -0.20 0.08 -0.22 5.22 5.04 0.02 -5.04 117.35 122.25 1mjg s TYR 419 Ca 0.30 0.11 0.02 0.00 -2.44 0.00 0.00 57.07 55.06 1mjg s TYR 419 Cb -0.18 -0.53 0.05 0.00 0.35 0.00 0.00 41.96 41.65 1mjg s TYR 419 CO 0.17 -0.29 -0.11 0.42 -1.34 0.00 0.00 175.55 174.40 1mjg s ILE 420 N 2.17 1.84 0.02 3.14 1.01 -1.26 -4.39 121.20 123.72 1mjg s ILE 420 Ca 0.04 -1.25 -0.34 0.00 0.00 0.00 0.00 60.65 59.11 1mjg s ILE 420 Cb -0.13 -1.93 -0.12 0.00 0.01 0.00 0.00 42.46 40.28 1mjg s ILE 420 CO -0.05 0.09 1.77 -2.65 0.00 0.00 0.00 174.94 174.10 1mjg n PRO 421 N 4.59 2.22 -1.34 2.79 -0.02 -1.26 -4.80 135.00 137.18 1mjg n PRO 421 Ca -0.15 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1mjg n PRO 421 Cb 0.45 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 1mjg n PRO 421 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1mjg n GLN 422 N 5.45 3.43 -4.71 -0.52 1.13 -1.26 -2.49 117.38 118.40 1mjg n GLN 422 Ca 0.20 -2.13 -0.28 0.00 -1.94 0.00 0.00 57.00 52.85 1mjg n GLN 422 Cb 0.30 -2.59 -0.17 0.00 0.11 0.00 0.00 30.24 27.89 1mjg n GLN 422 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mjg s ILE 423 N 1.31 1.56 -0.13 5.09 1.01 -1.26 -4.91 121.20 123.87 1mjg s ILE 423 Ca 0.67 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 1mjg s ILE 423 Cb 0.22 -1.40 0.12 0.00 0.01 0.00 0.00 42.46 41.40 1mjg s ILE 423 CO -0.06 0.45 0.94 -1.59 0.00 0.00 0.00 174.94 174.68 1mjg s LYS 424 N 0.71 0.68 0.13 2.79 -2.85 -1.26 -0.02 119.74 119.92 1mjg s LYS 424 Ca -0.12 0.14 0.08 0.00 -1.00 0.00 0.00 55.97 55.06 1mjg s LYS 424 Cb -0.16 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 1mjg s LYS 424 CO 0.03 -0.22 -0.19 -0.80 0.10 0.00 0.00 175.35 174.27 1mjg s ASN 425 N -1.20 2.48 0.36 0.03 0.01 -0.64 -4.95 114.94 111.03 1mjg s ASN 425 Ca -0.03 -0.77 -0.26 0.00 -0.71 0.00 0.00 52.86 51.09 1mjg s ASN 425 Cb -0.00 -0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.43 1mjg s ASN 425 CO 0.02 -0.01 1.14 -0.60 -1.51 0.00 0.00 177.10 176.15 1mjg s ARG 426 N -2.34 4.26 -0.00 -0.60 3.52 -1.26 -1.58 118.95 120.95 1mjg s ARG 426 Ca 0.10 1.81 0.03 0.00 -0.13 0.00 0.00 55.73 57.54 1mjg s ARG 426 Cb -0.08 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 1mjg s ARG 426 CO 0.05 -0.14 -0.10 0.08 -0.81 0.00 0.00 175.30 174.38 1mjg s VAL 427 N -1.36 0.78 -0.14 7.11 1.01 0.91 -3.69 120.40 125.02 1mjg s VAL 427 Ca 0.53 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1mjg s VAL 427 Cb -0.30 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1mjg s VAL 427 CO 0.39 0.18 -0.19 -0.69 0.00 0.00 0.00 175.10 174.79 1mjg s VAL 428 N -0.32 1.88 0.00 2.92 1.01 -0.40 -0.55 120.40 124.94 1mjg s VAL 428 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1mjg s VAL 428 Cb -0.04 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1mjg s VAL 428 CO -0.00 0.51 0.00 0.00 0.00 0.00 0.00 175.10 175.61 1mjg n ALA 429 N 4.33 0.00 -1.19 5.51 0.00 -0.30 -4.56 120.51 124.29 1mjg n ALA 429 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1mjg n ALA 429 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1mjg n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjg n GLY 430 N 0.02 0.62 3.17 0.00 0.00 -1.24 -0.63 105.19 107.13 1mjg n GLY 430 Ca 0.00 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1mjg n GLY 430 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mjg n TRP 431 N -3.08 4.02 -1.37 1.61 7.02 -0.86 -2.75 117.44 122.03 1mjg n TRP 431 Ca 0.00 -3.03 -0.29 0.00 -1.02 0.00 0.00 57.50 53.16 1mjg n TRP 431 Cb 0.20 -2.23 0.15 0.00 -2.42 0.00 0.00 31.31 27.01 1mjg n TRP 431 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1mjg s SER 432 N 2.42 3.28 0.33 -0.99 1.04 -1.26 -4.29 113.70 114.24 1mjg s SER 432 Ca 0.44 1.14 0.05 0.00 0.48 0.00 0.00 55.95 58.06 1mjg s SER 432 Cb 0.05 -1.77 0.60 0.00 0.10 0.00 0.00 66.02 64.99 1mjg s SER 432 CO 0.00 -2.71 1.85 0.25 0.98 0.00 0.00 173.24 173.61 1mjg h LEU 433 N -1.60 0.42 -0.78 2.42 5.85 -1.92 -1.53 115.31 118.16 1mjg h LEU 433 Ca -0.52 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 1mjg h LEU 433 Cb 1.32 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1mjg h LEU 433 CO 0.59 0.56 0.49 -0.33 -0.34 0.00 0.00 178.44 179.41 1mjg h GLU 434 N 0.42 1.05 -0.41 1.25 3.07 -1.91 0.14 114.58 118.19 1mjg h GLU 434 Ca 0.08 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 1mjg h GLU 434 Cb 0.43 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1mjg h GLU 434 CO 0.02 0.73 -0.04 0.00 -1.40 0.00 0.00 179.01 178.33 1mjg h ALA 435 N 1.26 0.56 -0.75 3.43 0.00 -1.66 -1.06 119.26 121.04 1mjg h ALA 435 Ca 0.28 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1mjg h ALA 435 Cb -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1mjg h ALA 435 CO -0.06 0.37 0.32 -0.07 0.00 0.00 0.00 179.25 179.82 1mjg h LEU 436 N 0.57 1.02 -0.53 0.00 3.38 -0.94 -1.25 115.31 117.54 1mjg h LEU 436 Ca 0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1mjg h LEU 436 Cb 0.53 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1mjg h LEU 436 CO 0.03 0.90 0.22 0.74 0.09 0.00 0.00 178.44 180.42 1mjg h THR 437 N 1.07 1.21 -0.89 0.22 2.02 -0.54 0.09 112.91 116.09 1mjg h THR 437 Ca 0.25 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1mjg h THR 437 Cb 0.18 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1mjg h THR 437 CO -0.02 0.25 0.53 0.50 0.37 0.00 0.00 175.52 177.14 1mjg h LYS 438 N 0.72 1.21 -0.08 6.66 1.63 -0.88 0.12 116.57 125.95 1mjg h LYS 438 Ca 0.18 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1mjg h LYS 438 Cb 0.18 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1mjg h LYS 438 CO -0.02 0.85 0.03 1.25 -3.45 0.00 0.00 179.45 178.12 1mjg h LEU 439 N 1.22 0.11 -1.31 5.20 5.85 -0.64 -2.82 115.31 122.93 1mjg h LEU 439 Ca 0.32 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1mjg h LEU 439 Cb -0.04 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1mjg h LEU 439 CO -0.06 0.23 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.86 1mjg h LEU 440 N -0.02 0.00 -2.41 2.25 3.38 -0.70 -2.74 115.31 115.07 1mjg h LEU 440 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1mjg h LEU 440 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1mjg h LEU 440 CO -0.00 0.35 -0.03 0.00 0.09 0.00 0.00 178.44 178.85 1mjg h ALA 441 N 1.65 1.13 0.00 1.53 0.00 -0.51 -1.30 119.26 121.77 1mjg h ALA 441 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mjg h ALA 441 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mjg h ALA 441 CO 0.04 0.03 0.00 1.79 0.00 0.00 0.00 179.25 181.12 1mjg h THR 442 N 0.00 0.00 0.01 0.00 1.35 -1.45 -2.17 112.91 110.64 1mjg h THR 442 Ca -0.00 -0.32 -0.38 0.00 -0.55 0.00 0.00 66.41 65.16 1mjg h THR 442 Cb 0.17 1.19 -0.07 0.00 -1.73 0.00 0.00 68.15 67.71 1mjg h THR 442 CO 0.00 0.00 -2.42 0.00 -0.25 0.00 0.00 175.52 172.86 1mjg n GLN 443 N -2.75 0.67 -3.37 4.72 1.13 -0.52 -4.73 117.38 112.53 1mjg n GLN 443 Ca 0.00 0.11 -0.16 0.00 -1.94 0.00 0.00 57.00 55.01 1mjg n GLN 443 Cb 0.23 -1.53 -0.08 0.00 0.11 0.00 0.00 30.24 28.97 1mjg n GLN 443 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1mjg s ASN 444 N -6.23 1.22 0.40 1.08 3.84 -1.03 -5.02 114.94 109.21 1mjg s ASN 444 Ca -0.26 -1.29 0.16 0.00 0.21 0.00 0.00 52.86 51.67 1mjg s ASN 444 Cb 0.08 0.59 0.85 0.00 -0.55 0.00 0.00 41.25 42.22 1mjg s ASN 444 CO 0.68 -0.30 1.86 0.00 -2.79 0.00 0.00 177.10 176.56 1mjg h ALA 445 N 7.43 1.33 -0.32 1.71 0.00 -1.67 -2.01 119.26 125.73 1mjg h ALA 445 Ca -0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1mjg h ALA 445 Cb 1.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1mjg h ALA 445 CO 0.24 0.40 -0.48 1.96 0.00 0.00 0.00 179.25 181.37 1mjg h GLN 446 N 0.00 0.89 -2.08 0.00 7.50 -1.95 -3.39 115.11 116.08 1mjg h GLN 446 Ca -0.00 -0.53 -0.54 0.00 0.50 0.00 0.00 58.65 58.07 1mjg h GLN 446 Cb 0.62 0.05 -0.36 0.00 0.05 0.00 0.00 27.48 27.84 1mjg h GLN 446 CO 0.04 1.17 -0.97 -1.71 -1.50 0.00 0.00 178.83 175.86 1mjg n ASN 447 N -4.04 -0.56 -0.18 1.46 2.85 -1.17 -5.03 115.26 108.59 1mjg n ASN 447 Ca -0.04 -2.54 -0.05 0.00 -0.11 0.00 0.00 54.58 51.84 1mjg n ASN 447 Cb 0.60 -0.35 0.01 0.00 1.24 0.00 0.00 39.78 41.27 1mjg n ASN 447 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1mjg h PRO 448 N 5.03 -0.16 -0.07 1.20 0.11 -1.57 -1.50 132.00 135.03 1mjg h PRO 448 Ca 0.18 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.32 1mjg h PRO 448 Cb 0.92 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1mjg h PRO 448 CO 0.37 -0.11 0.08 0.97 -0.21 0.00 0.00 178.00 179.10 1mjg h ILE 449 N -0.17 0.55 0.00 4.15 6.09 -1.91 -1.28 117.51 124.94 1mjg h ILE 449 Ca 0.22 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.71 1mjg h ILE 449 Cb 0.54 0.94 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 1mjg h ILE 449 CO -0.65 0.00 -0.01 -0.09 -3.07 0.00 0.00 178.15 174.34 1mjg h ARG 450 N 0.00 0.00 -0.73 2.19 9.65 -1.64 -1.58 114.38 122.27 1mjg h ARG 450 Ca 0.03 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1mjg h ARG 450 Cb 0.18 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.72 1mjg h ARG 450 CO -0.00 0.01 0.46 0.28 2.80 0.00 0.00 179.97 183.52 1mjg h VAL 451 N 0.00 1.10 -0.04 0.20 2.07 -1.33 0.34 116.25 118.59 1mjg h VAL 451 Ca -0.00 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1mjg h VAL 451 Cb 0.01 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1mjg h VAL 451 CO 0.00 0.16 -0.16 0.25 0.02 0.00 0.00 177.57 177.85 1mjg h LEU 452 N 0.90 0.21 -0.35 2.57 5.85 -1.47 -2.91 115.31 120.10 1mjg h LEU 452 Ca 0.29 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1mjg h LEU 452 Cb 0.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1mjg h LEU 452 CO -0.11 0.82 0.23 0.78 -0.34 0.00 0.00 178.44 179.82 1mjg h ASN 453 N -0.39 0.40 -0.84 1.25 2.35 -1.10 -2.55 115.58 114.70 1mjg h ASN 453 Ca -0.01 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1mjg h ASN 453 Cb 0.81 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 1mjg h ASN 453 CO 0.03 0.29 0.48 -0.61 -1.65 0.00 0.00 177.43 175.97 1mjg h GLN 454 N 0.47 1.16 -0.16 0.81 5.75 -0.42 0.48 115.11 123.20 1mjg h GLN 454 Ca 0.13 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1mjg h GLN 454 Cb -0.05 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.25 1mjg h GLN 454 CO -0.03 0.83 -0.06 0.00 -2.65 0.00 0.00 178.83 176.92 1mjg h ALA 455 N 1.36 1.60 0.02 3.38 0.00 -1.28 0.30 119.26 124.64 1mjg h ALA 455 Ca 0.30 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 455 Cb -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1mjg h ALA 455 CO -0.05 0.29 -0.54 0.82 0.00 0.00 0.00 179.25 179.77 1mjg h ILE 456 N 0.23 1.47 -0.67 0.00 2.04 -0.87 0.35 117.51 120.06 1mjg h ILE 456 Ca 0.05 -2.11 -0.04 0.00 1.00 0.00 0.00 64.86 63.76 1mjg h ILE 456 Cb 0.26 2.72 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 1mjg h ILE 456 CO 0.01 0.60 0.27 -0.07 0.00 0.00 0.00 178.15 178.96 1mjg h LEU 457 N -0.24 0.90 -1.27 1.44 3.38 -0.53 -2.31 115.31 116.68 1mjg h LEU 457 Ca -0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1mjg h LEU 457 Cb 1.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1mjg h LEU 457 CO 0.11 0.80 0.00 0.44 0.09 0.00 0.00 178.44 179.88 1mjg h ASP 458 N 0.96 0.00 0.00 -0.43 3.32 -0.47 -3.46 116.42 116.33 1mjg h ASP 458 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1mjg h ASP 458 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1mjg h ASP 458 CO -0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.11 1mjg n GLY 459 N 0.16 0.62 0.26 2.75 0.00 -0.87 -4.95 105.19 103.15 1mjg n GLY 459 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1mjg n GLY 459 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mjg h GLU 460 N 4.69 0.80 -6.84 1.61 4.81 -1.21 -3.44 114.58 115.01 1mjg h GLU 460 Ca 0.00 -0.39 -0.69 0.00 -0.13 0.00 0.00 59.36 58.15 1mjg h GLU 460 Cb 0.00 -0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.15 1mjg h GLU 460 CO 0.00 1.02 -0.86 -0.51 -0.73 0.00 0.00 179.01 177.92 1mjg s LEU 461 N -8.80 2.33 0.37 1.64 1.43 -0.53 -3.98 118.68 111.13 1mjg s LEU 461 Ca -0.10 -0.68 0.20 0.00 -1.03 0.00 0.00 54.13 52.53 1mjg s LEU 461 Cb 0.12 -1.28 0.22 0.00 0.03 0.00 0.00 46.19 45.28 1mjg s LEU 461 CO 0.85 0.20 1.51 0.00 0.23 0.00 0.00 176.35 179.14 1mjg h ALA 462 N 4.12 0.86 0.00 4.21 0.00 -1.07 -3.39 119.26 123.98 1mjg h ALA 462 Ca -0.50 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1mjg h ALA 462 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1mjg h ALA 462 CO 0.41 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1mjg n GLY 463 N 1.15 0.29 3.33 0.00 0.00 -1.26 -4.71 105.19 103.99 1mjg n GLY 463 Ca 0.03 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1mjg n GLY 463 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjg s VAL 464 N -2.96 2.11 -0.03 1.61 1.01 -0.48 -1.35 120.40 120.32 1mjg s VAL 464 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1mjg s VAL 464 Cb 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1mjg s VAL 464 CO 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 1mjg s ALA 465 N -0.72 0.47 -0.21 5.51 0.00 -0.70 -1.38 121.76 124.72 1mjg s ALA 465 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1mjg s ALA 465 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1mjg s ALA 465 CO 0.01 -0.01 0.06 -1.17 0.00 0.00 0.00 175.76 174.65 1mjg s LEU 466 N 0.75 3.61 -0.31 0.00 2.96 -0.22 -1.15 118.68 124.32 1mjg s LEU 466 Ca -0.09 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 1mjg s LEU 466 Cb -0.12 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.66 1mjg s LEU 466 CO -0.01 0.07 0.06 -0.63 -1.32 0.00 0.00 176.35 174.53 1mjg s ILE 467 N 0.97 3.68 0.41 6.68 -1.09 0.24 -0.65 121.20 131.44 1mjg s ILE 467 Ca 0.04 -0.95 0.04 0.00 -2.23 0.00 0.00 60.65 57.55 1mjg s ILE 467 Cb -0.14 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.71 1mjg s ILE 467 CO 0.03 -0.01 0.05 0.00 -1.23 0.00 0.00 174.94 173.77 1mjg n GLY 469 N -0.93 3.77 0.00 0.00 0.00 -1.26 -3.68 105.19 103.08 1mjg n GLY 469 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1mjg n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ASN 471 N 0.00 1.78 -4.60 0.00 3.02 -1.06 -4.38 115.26 110.02 1mjg n ASN 471 Ca 0.00 -3.02 -0.43 0.00 -0.03 0.00 0.00 54.58 51.10 1mjg n ASN 471 Cb 0.00 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.50 1mjg n ASN 471 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1mjg s ASN 472 N -1.71 6.49 0.00 6.41 3.84 -0.48 -4.66 114.94 124.83 1mjg s ASN 472 Ca 0.37 0.51 0.01 0.00 0.21 0.00 0.00 52.86 53.96 1mjg s ASN 472 Cb 0.15 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.38 1mjg s ASN 472 CO -0.07 -1.37 0.48 0.18 -2.79 0.00 0.00 177.10 173.53 1mjg n LEU 473 N 8.31 0.00 0.28 3.21 4.77 -1.26 -1.99 117.00 130.32 1mjg n LEU 473 Ca 0.13 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.26 1mjg n LEU 473 Cb 0.49 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 42.37 1mjg n LEU 473 CO 0.71 0.00 1.01 0.11 -1.33 0.00 0.00 177.39 177.89 1mjg h LYS 474 N 0.00 0.00 -6.30 3.23 1.57 -1.90 -3.41 116.57 109.76 1mjg h LYS 474 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1mjg h LYS 474 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 1mjg h LYS 474 CO 0.00 0.08 -0.80 0.20 -0.57 0.00 0.00 179.45 178.35 1mjg s GLY 475 N -4.19 1.56 0.26 3.86 0.00 -0.84 -1.85 107.32 106.13 1mjg s GLY 475 Ca -0.02 -1.57 -0.31 0.00 0.00 0.00 0.00 44.72 42.82 1mjg s GLY 475 CO 0.55 -1.60 1.65 0.69 0.00 0.00 0.00 173.10 174.38 1mjg n PHE 476 N 0.29 2.84 -1.68 1.90 3.01 -1.26 -4.80 117.46 117.76 1mjg n PHE 476 Ca -0.13 0.17 -0.54 0.00 1.01 0.00 0.00 57.45 57.96 1mjg n PHE 476 Cb 0.56 -2.63 -0.06 0.00 -0.01 0.00 0.00 39.48 37.34 1mjg n PHE 476 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1mjg n GLN 477 N 2.83 1.38 -0.36 -1.08 7.27 0.41 -1.62 117.38 126.21 1mjg n GLN 477 Ca 0.11 0.50 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1mjg n GLN 477 Cb 0.36 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 30.80 1mjg n GLN 477 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1mjg n ASP 478 N 4.86 0.00 -0.19 1.69 8.00 -1.26 -2.23 116.55 127.42 1mjg n ASP 478 Ca 0.24 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.65 1mjg n ASP 478 Cb 0.18 -0.79 0.02 0.00 -0.02 0.00 0.00 41.12 40.51 1mjg n ASP 478 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1mjg h ASN 479 N 0.00 0.78 -0.11 -2.24 -1.24 -1.68 -1.47 115.58 109.62 1mjg h ASN 479 Ca 0.00 -0.20 -0.18 0.00 0.71 0.00 0.00 56.30 56.63 1mjg h ASN 479 Cb 0.00 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.85 1mjg h ASN 479 CO 0.00 0.77 -0.58 0.28 -1.29 0.00 0.00 177.43 176.61 1mjg h SER 480 N 0.74 0.79 -0.09 1.15 0.02 -1.89 -1.28 113.55 112.98 1mjg h SER 480 Ca 0.17 -0.44 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1mjg h SER 480 Cb 0.27 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1mjg h SER 480 CO -0.01 1.20 0.05 0.45 -1.14 0.00 0.00 176.83 177.38 1mjg h HIS 481 N 0.53 0.13 -0.02 3.45 3.86 -1.87 -1.57 115.15 119.66 1mjg h HIS 481 Ca 0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1mjg h HIS 481 Cb 1.16 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 1mjg h HIS 481 CO 0.06 0.14 0.01 -0.07 0.86 0.00 0.00 177.93 178.93 1mjg h LEU 482 N 0.07 0.03 -0.38 2.43 -0.00 -1.27 -1.32 115.31 114.88 1mjg h LEU 482 Ca 0.03 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1mjg h LEU 482 Cb 0.06 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.69 1mjg h LEU 482 CO -0.01 0.23 0.22 0.74 -0.00 0.00 0.00 178.44 179.62 1mjg h THR 483 N -0.16 1.13 -0.16 0.22 2.02 -1.24 -0.29 112.91 114.43 1mjg h THR 483 Ca 0.01 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1mjg h THR 483 Cb 0.20 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1mjg h THR 483 CO -0.00 0.14 0.08 0.58 0.37 0.00 0.00 175.52 176.69 1mjg h VAL 484 N 0.50 1.13 -0.20 3.16 2.07 -1.28 -2.17 116.25 119.46 1mjg h VAL 484 Ca 0.14 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1mjg h VAL 484 Cb 0.03 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1mjg h VAL 484 CO -0.02 0.12 0.10 0.24 0.02 0.00 0.00 177.57 178.03 1mjg h MET 485 N 0.14 0.27 -0.63 1.57 2.07 -1.07 -1.76 114.93 115.53 1mjg h MET 485 Ca 0.06 -0.03 0.03 0.00 -2.07 0.00 0.00 59.70 57.68 1mjg h MET 485 Cb 0.12 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.76 1mjg h MET 485 CO -0.01 0.27 0.38 0.87 1.07 0.00 0.00 176.91 179.49 1mjg h LYS 486 N 0.21 0.72 -0.26 1.72 1.57 -1.03 0.36 116.57 119.85 1mjg h LYS 486 Ca 0.07 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1mjg h LYS 486 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1mjg h LYS 486 CO -0.01 0.47 -0.28 1.49 -0.57 0.00 0.00 179.45 180.56 1mjg h GLU 487 N 0.74 0.53 -0.13 3.15 4.57 -1.26 -0.66 114.58 121.52 1mjg h GLU 487 Ca 0.26 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 58.12 1mjg h GLU 487 Cb 0.05 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1mjg h GLU 487 CO -0.12 0.76 -0.32 -0.07 -1.18 0.00 0.00 179.01 178.08 1mjg h LEU 488 N 0.46 0.50 -0.44 1.64 3.38 -0.86 -2.52 115.31 117.47 1mjg h LEU 488 Ca 0.06 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.48 1mjg h LEU 488 Cb 0.72 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1mjg h LEU 488 CO 0.06 1.00 0.23 -0.07 0.09 0.00 0.00 178.44 179.74 1mjg h LEU 489 N 0.03 0.34 -1.91 1.67 3.38 -0.84 -0.40 115.31 117.57 1mjg h LEU 489 Ca -0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1mjg h LEU 489 Cb 0.93 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1mjg h LEU 489 CO 0.07 0.24 0.21 0.50 0.09 0.00 0.00 178.44 179.55 1mjg h LYS 490 N 0.46 0.10 -0.71 1.13 3.64 -0.98 -1.45 116.57 118.77 1mjg h LYS 490 Ca 0.19 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 1mjg h LYS 490 Cb 0.09 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 1mjg h LYS 490 CO -0.13 0.07 0.17 0.09 -2.27 0.00 0.00 179.45 177.38 1mjg n ASN 491 N -4.47 5.06 -2.65 4.20 3.02 -0.23 -3.78 115.26 116.42 1mjg n ASN 491 Ca 0.04 -3.06 -0.18 0.00 -0.03 0.00 0.00 54.58 51.34 1mjg n ASN 491 Cb 0.31 -0.72 0.05 0.00 -0.61 0.00 0.00 39.78 38.81 1mjg n ASN 491 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1mjg n ASN 492 N 0.15 -5.27 -4.76 6.41 3.02 -0.63 -4.42 115.26 109.76 1mjg n ASN 492 Ca 0.35 -0.32 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 1mjg n ASN 492 Cb 1.29 -3.99 -0.07 0.00 -0.61 0.00 0.00 39.78 36.39 1mjg n ASN 492 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mjg s VAL 493 N -3.14 5.28 -0.35 2.41 1.01 -0.77 -0.61 120.40 124.22 1mjg s VAL 493 Ca 0.35 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 1mjg s VAL 493 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1mjg s VAL 493 CO 0.43 0.44 1.18 0.12 0.00 0.00 0.00 175.10 177.27 1mjg s PHE 494 N 0.08 2.90 -0.22 5.22 5.36 -0.45 -4.48 117.98 126.39 1mjg s PHE 494 Ca 0.18 0.97 -0.09 0.00 -0.96 0.00 0.00 56.93 57.03 1mjg s PHE 494 Cb -0.14 -3.94 -0.04 0.00 -0.34 0.00 0.00 43.02 38.56 1mjg s PHE 494 CO 0.06 -1.24 0.10 0.08 -1.46 0.00 0.00 175.22 172.76 1mjg s VAL 495 N 4.13 4.92 0.10 3.12 1.01 -1.26 -1.73 120.40 130.70 1mjg s VAL 495 Ca 0.50 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.59 1mjg s VAL 495 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1mjg s VAL 495 CO 0.22 0.39 -0.20 0.68 0.00 0.00 0.00 175.10 176.19 1mjg s VAL 496 N 0.89 2.71 0.06 2.92 -7.23 -0.30 -1.12 120.40 118.33 1mjg s VAL 496 Ca 0.05 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 58.67 1mjg s VAL 496 Cb -0.13 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1mjg s VAL 496 CO 0.03 0.15 0.11 0.00 -0.31 0.00 0.00 175.10 175.07 1mjg s ALA 497 N -1.08 0.01 0.28 1.32 0.00 -0.15 -0.59 121.76 121.54 1mjg s ALA 497 Ca 0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1mjg s ALA 497 Cb -0.10 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1mjg s ALA 497 CO 0.08 -0.42 0.31 0.95 0.00 0.00 0.00 175.76 176.69 1mjg s THR 498 N -3.51 0.00 0.00 0.00 -4.23 -0.73 -0.55 115.64 106.62 1mjg s THR 498 Ca 0.03 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1mjg s THR 498 Cb 0.04 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1mjg s THR 498 CO -0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1mjg n GLY 499 N -0.45 1.53 0.25 3.99 0.00 -0.50 -1.59 105.19 108.42 1mjg n GLY 499 Ca 0.02 -0.48 0.17 0.00 0.00 0.00 0.00 46.02 45.73 1mjg n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg h SER 501 N 0.00 0.77 -0.13 0.00 0.87 -1.36 -0.94 113.55 112.75 1mjg h SER 501 Ca 0.00 -0.54 -0.10 0.00 -1.23 0.00 0.00 61.79 59.91 1mjg h SER 501 Cb 0.30 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1mjg h SER 501 CO 0.00 1.17 -0.25 0.00 -0.53 0.00 0.00 176.83 177.22 1mjg h ALA 502 N 0.62 1.01 -0.26 6.23 0.00 -0.47 -2.35 119.26 124.04 1mjg h ALA 502 Ca 0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1mjg h ALA 502 Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1mjg h ALA 502 CO 0.10 0.59 -0.24 1.96 0.00 0.00 0.00 179.25 181.66 1mjg h GLN 503 N 0.51 0.49 -0.50 0.00 4.20 -1.18 0.07 115.11 118.69 1mjg h GLN 503 Ca 0.07 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1mjg h GLN 503 Cb 0.71 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1mjg h GLN 503 CO 0.05 0.70 0.15 0.00 -0.67 0.00 0.00 178.83 179.06 1mjg h ALA 504 N 1.31 0.66 -0.35 3.87 0.00 -0.83 0.61 119.26 124.53 1mjg h ALA 504 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1mjg h ALA 504 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1mjg h ALA 504 CO 0.05 0.33 0.18 0.00 0.00 0.00 0.00 179.25 179.80 1mjg h ALA 505 N 1.01 0.45 0.07 0.00 0.00 -1.03 -2.04 119.26 117.72 1mjg h ALA 505 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 505 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1mjg h ALA 505 CO -0.00 -0.00 -0.03 0.78 0.00 0.00 0.00 179.25 179.99 1mjg h GLY 506 N 0.43 -0.10 1.36 0.00 0.00 -0.67 0.27 103.07 104.36 1mjg h GLY 506 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1mjg h GLY 506 CO -0.02 -0.04 0.38 0.50 0.00 0.00 0.00 176.54 177.36 1mjg h LYS 507 N -0.15 0.85 -0.56 4.80 1.57 -0.84 -3.12 116.57 119.12 1mjg h LYS 507 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1mjg h LYS 507 Cb 0.12 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1mjg h LYS 507 CO 0.02 0.59 0.00 1.28 -0.57 0.00 0.00 179.45 180.77 1mjg n LEU 508 N -4.41 4.65 0.00 2.94 4.77 -0.77 -4.41 117.00 119.77 1mjg n LEU 508 Ca 0.06 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 1mjg n LEU 508 Cb 0.07 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1mjg n LEU 508 CO 0.37 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1mjg n GLY 509 N 0.76 0.76 0.00 -0.72 0.00 -0.77 -4.94 105.19 100.28 1mjg n GLY 509 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.41 1mjg n GLY 509 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mjg n LEU 510 N 0.00 0.00 -0.89 0.99 4.77 0.87 -2.54 117.00 120.21 1mjg n LEU 510 Ca 0.00 0.09 0.07 0.00 -0.03 0.00 0.00 56.01 56.14 1mjg n LEU 510 Cb 0.00 -0.09 0.22 0.00 -2.33 0.00 0.00 43.42 41.22 1mjg n LEU 510 CO 0.00 -0.01 0.69 0.18 -1.33 0.00 0.00 177.39 176.92 1mjg n LEU 511 N -1.09 3.52 -4.53 2.23 4.77 -1.20 -2.39 117.00 118.30 1mjg n LEU 511 Ca 0.19 -2.35 -0.39 0.00 -0.03 0.00 0.00 56.01 53.44 1mjg n LEU 511 Cb 0.14 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 1mjg n LEU 511 CO 0.18 0.74 -0.18 -0.62 -1.33 0.00 0.00 177.39 176.18 1mjg s ASP 512 N -1.24 5.85 0.58 -1.43 -1.08 -1.05 -1.27 116.67 117.02 1mjg s ASP 512 Ca 0.34 -0.22 0.29 0.00 -0.52 0.00 0.00 52.55 52.43 1mjg s ASP 512 Cb 0.22 -2.08 1.48 0.00 -1.46 0.00 0.00 42.92 41.07 1mjg s ASP 512 CO 0.16 -0.12 1.92 -0.65 0.52 0.00 0.00 175.17 177.00 1mjg h PRO 513 N 8.38 0.00 0.00 4.34 0.11 -1.87 0.10 132.00 143.07 1mjg h PRO 513 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1mjg h PRO 513 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1mjg h PRO 513 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 1mjg h ALA 514 N 1.52 1.00 -0.60 -0.75 0.00 -1.93 -2.77 119.26 115.73 1mjg h ALA 514 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1mjg h ALA 514 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1mjg h ALA 514 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1mjg n ASN 515 N -2.87 3.53 -0.33 0.00 3.02 0.35 -4.32 115.26 114.64 1mjg n ASN 515 Ca -0.01 -1.99 -0.03 0.00 -0.03 0.00 0.00 54.58 52.52 1mjg n ASN 515 Cb 0.16 -0.40 0.10 0.00 -0.61 0.00 0.00 39.78 39.03 1mjg n ASN 515 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1mjg h VAL 516 N 4.02 1.26 -0.50 2.41 2.07 -1.63 -2.36 116.25 121.53 1mjg h VAL 516 Ca 0.00 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 1mjg h VAL 516 Cb 0.91 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1mjg h VAL 516 CO 0.00 0.29 -0.10 -0.33 0.02 0.00 0.00 177.57 177.45 1mjg h GLU 517 N 1.26 0.91 0.00 1.57 4.39 -1.82 -1.34 114.58 119.54 1mjg h GLU 517 Ca 0.32 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1mjg h GLU 517 Cb 0.01 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1mjg h GLU 517 CO -0.05 0.96 -0.13 1.79 -1.16 0.00 0.00 179.01 180.41 1mjg h THR 518 N 0.81 0.26 0.00 1.13 1.35 -1.74 -3.39 112.91 111.34 1mjg h THR 518 Ca 0.13 -1.13 -0.03 0.00 -0.55 0.00 0.00 66.41 64.84 1mjg h THR 518 Cb 0.62 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1mjg h THR 518 CO 0.04 0.13 -1.11 -1.22 -0.25 0.00 0.00 175.52 173.12 1mjg n TYR 519 N -3.18 0.00 -2.65 4.73 0.53 -0.92 -5.07 117.16 110.61 1mjg n TYR 519 Ca 0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.49 1mjg n TYR 519 Cb 0.50 -0.07 -0.05 0.00 -1.03 0.00 0.00 39.34 38.69 1mjg n TYR 519 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1mjg s GLY 521 N -0.31 1.59 0.34 0.00 0.00 -0.69 -4.63 107.32 103.61 1mjg s GLY 521 Ca 0.46 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 45.05 1mjg s GLY 521 CO 0.32 0.40 1.92 -0.55 0.00 0.00 0.00 173.10 175.19 1mjg h ASP 522 N -1.88 0.76 0.50 1.64 3.32 -1.91 0.37 116.42 119.23 1mjg h ASP 522 Ca -0.53 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 1mjg h ASP 522 Cb 1.31 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1mjg h ASP 522 CO 0.55 0.47 -0.24 1.23 -1.72 0.00 0.00 179.24 179.52 1mjg h GLY 523 N 0.85 -0.71 1.00 2.75 0.00 -1.92 -0.55 103.07 104.50 1mjg h GLY 523 Ca 0.37 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1mjg h GLY 523 CO -0.14 -0.26 0.10 -2.00 0.00 0.00 0.00 176.54 174.24 1mjg h LEU 524 N -0.84 0.17 -0.53 3.11 5.85 -1.64 -1.00 115.31 120.43 1mjg h LEU 524 Ca -0.07 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1mjg h LEU 524 Cb 0.59 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1mjg h LEU 524 CO 0.11 0.13 0.18 0.50 -0.34 0.00 0.00 178.44 179.02 1mjg h LYS 525 N 0.20 0.34 -0.71 1.25 3.64 -0.93 0.30 116.57 120.67 1mjg h LYS 525 Ca 0.06 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1mjg h LYS 525 Cb -0.02 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1mjg h LYS 525 CO -0.01 0.23 0.29 0.78 -2.27 0.00 0.00 179.45 178.46 1mjg h GLY 526 N 0.35 1.14 0.96 5.01 0.00 -0.83 -0.32 103.07 109.39 1mjg h GLY 526 Ca 0.26 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1mjg h GLY 526 CO -0.28 0.59 0.19 -2.75 0.00 0.00 0.00 176.54 174.29 1mjg h PHE 527 N 1.02 0.48 -0.16 5.60 3.57 0.08 -1.99 116.94 125.53 1mjg h PHE 527 Ca 0.24 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 1mjg h PHE 527 Cb 0.21 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1mjg h PHE 527 CO 0.02 0.38 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.04 1mjg h LEU 528 N 0.44 0.36 -0.06 0.59 3.38 -0.22 -2.09 115.31 117.71 1mjg h LEU 528 Ca 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1mjg h LEU 528 Cb 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1mjg h LEU 528 CO -0.02 0.71 0.02 0.11 0.09 0.00 0.00 178.44 179.35 1mjg h LYS 529 N 0.30 0.09 -0.85 1.13 1.79 -0.81 -0.85 116.57 117.37 1mjg h LYS 529 Ca 0.03 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1mjg h LYS 529 Cb 0.79 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.38 1mjg h LYS 529 CO 0.06 0.22 0.52 -0.09 -1.08 0.00 0.00 179.45 179.08 1mjg h ARG 530 N -0.07 1.16 -0.23 3.15 2.43 -1.26 -2.43 114.38 117.13 1mjg h ARG 530 Ca 0.02 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1mjg h ARG 530 Cb 0.17 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1mjg h ARG 530 CO -0.00 0.81 0.03 -0.07 -1.51 0.00 0.00 179.97 179.22 1mjg h LEU 531 N 1.18 0.37 -2.40 3.80 3.38 -1.14 -2.91 115.31 117.59 1mjg h LEU 531 Ca 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1mjg h LEU 531 Cb -0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1mjg h LEU 531 CO -0.06 0.55 -0.03 1.23 0.09 0.00 0.00 178.44 180.23 1mjg h GLY 532 N 0.18 0.00 -0.13 0.83 0.00 -0.88 -1.93 103.07 101.14 1mjg h GLY 532 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1mjg h GLY 532 CO 0.01 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.73 1mjg n GLU 533 N -3.31 1.39 -1.56 4.80 1.02 -0.94 -4.68 120.64 117.36 1mjg n GLU 533 Ca -0.02 -0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 56.21 1mjg n GLU 533 Cb 0.15 -1.36 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 1mjg n GLU 533 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mjg s GLY 534 N -1.62 1.92 -0.00 0.62 0.00 -0.73 -4.92 107.32 102.58 1mjg s GLY 534 Ca 0.32 0.38 -0.36 0.00 0.00 0.00 0.00 44.72 45.06 1mjg s GLY 534 CO 0.25 0.73 1.57 0.00 0.00 0.00 0.00 173.10 175.65 1mjg n ALA 535 N -2.90 0.04 -1.49 3.20 0.00 -1.26 -2.28 120.51 115.82 1mjg n ALA 535 Ca 0.09 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.80 1mjg n ALA 535 Cb 0.53 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 1mjg n ALA 535 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mjg n ASN 536 N 3.99 -5.10 -4.44 0.00 5.03 -1.26 -4.94 115.26 108.53 1mjg n ASN 536 Ca 0.20 0.42 -0.44 0.00 0.87 0.00 0.00 54.58 55.63 1mjg n ASN 536 Cb 0.22 -4.10 -0.02 0.00 -1.02 0.00 0.00 39.78 34.86 1mjg n ASN 536 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1mjg s ILE 537 N -2.62 4.93 -0.04 2.41 1.01 -0.97 -4.86 121.20 121.08 1mjg s ILE 537 Ca 0.00 -2.01 -0.22 0.00 0.00 0.00 0.00 60.65 58.43 1mjg s ILE 537 Cb 0.00 -4.78 -0.15 0.00 0.01 0.00 0.00 42.46 37.53 1mjg s ILE 537 CO 0.00 -1.49 0.94 -0.33 0.00 0.00 0.00 174.94 174.06 1mjg h GLU 538 N 8.21 -0.27 -6.90 2.79 3.07 -1.89 -3.46 114.58 116.13 1mjg h GLU 538 Ca 0.20 0.02 -0.55 0.00 -0.50 0.00 0.00 59.36 58.52 1mjg h GLU 538 Cb 0.98 0.06 0.12 0.00 -0.84 0.00 0.00 28.75 29.07 1mjg h GLU 538 CO 1.11 0.12 0.65 0.44 -1.40 0.00 0.00 179.01 179.93 1mjg n ILE 539 N -4.98 2.34 -2.45 3.13 -6.64 -1.26 -4.97 119.36 104.53 1mjg n ILE 539 Ca -0.08 -0.50 -0.36 0.00 -1.77 0.00 0.00 62.75 60.04 1mjg n ILE 539 Cb 0.26 -1.78 -0.03 0.00 -1.44 0.00 0.00 39.64 36.65 1mjg n ILE 539 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1mjg s GLY 540 N -0.34 2.68 -0.06 3.28 0.00 -1.26 -5.00 107.32 106.62 1mjg s GLY 540 Ca 0.57 0.75 -0.23 0.00 0.00 0.00 0.00 44.72 45.81 1mjg s GLY 540 CO 0.61 1.15 0.66 1.08 0.00 0.00 0.00 173.10 176.60 1mjg s LEU 541 N -3.05 4.33 0.69 0.66 1.43 -1.26 -4.78 118.68 116.70 1mjg s LEU 541 Ca 0.63 1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 54.79 1mjg s LEU 541 Cb -0.22 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.00 1mjg s LEU 541 CO 0.27 -0.07 1.04 -2.16 0.23 0.00 0.00 176.35 175.67 1mjg s PRO 542 N 0.62 2.69 0.13 1.29 0.04 -1.26 -4.32 135.00 134.19 1mjg s PRO 542 Ca 0.35 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.49 1mjg s PRO 542 Cb -0.18 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 1mjg s PRO 542 CO 0.17 -1.04 1.42 -1.35 0.04 0.00 0.00 177.00 176.25 1mjg h PRO 543 N -0.57 0.90 -5.58 0.56 0.11 -1.78 -3.43 132.00 122.21 1mjg h PRO 543 Ca -0.45 -0.55 -0.67 0.00 0.11 0.00 0.00 66.00 64.44 1mjg h PRO 543 Cb 1.27 0.06 -0.28 0.00 0.11 0.00 0.00 31.00 32.15 1mjg h PRO 543 CO 0.63 1.19 -0.81 0.08 -0.21 0.00 0.00 178.00 178.88 1mjg s VAL 544 N -4.19 2.68 -0.43 3.15 1.01 -1.01 -4.54 120.40 117.07 1mjg s VAL 544 Ca -0.11 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1mjg s VAL 544 Cb 0.10 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1mjg s VAL 544 CO 0.89 0.55 0.53 -0.36 0.00 0.00 0.00 175.10 176.71 1mjg s PHE 545 N 0.11 3.12 -0.45 5.22 0.40 -0.28 -4.70 117.98 121.41 1mjg s PHE 545 Ca -0.08 -0.26 -0.28 0.00 -0.60 0.00 0.00 56.93 55.71 1mjg s PHE 545 Cb -0.15 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.26 1mjg s PHE 545 CO 0.05 -0.79 1.54 -1.58 0.70 0.00 0.00 175.22 175.14 1mjg s HIS 546 N 2.45 2.17 -2.67 0.36 2.46 -1.26 -0.98 115.29 117.81 1mjg s HIS 546 Ca 0.17 0.63 0.26 0.00 0.47 0.00 0.00 55.06 56.58 1mjg s HIS 546 Cb -0.16 -4.27 0.70 0.00 -0.13 0.00 0.00 32.58 28.72 1mjg s HIS 546 CO 0.16 -2.23 1.55 -1.33 -2.47 0.00 0.00 174.74 170.41 1mjg n MET 547 N 8.39 1.94 0.00 2.88 2.81 0.29 -2.03 117.12 131.40 1mjg n MET 547 Ca 0.17 -1.37 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 1mjg n MET 547 Cb 0.48 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1mjg n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mjg n GLY 548 N 1.25 0.63 2.37 3.03 0.00 -1.25 -4.72 105.19 106.50 1mjg n GLY 548 Ca 0.17 -2.20 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 1mjg n GLY 548 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mjg n SER 549 N 0.00 -0.61 -0.03 1.61 3.41 -1.26 -1.41 113.62 115.32 1mjg n SER 549 Ca 0.00 -1.16 -0.10 0.00 -0.26 0.00 0.00 58.87 57.35 1mjg n SER 549 Cb 0.00 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.27 1mjg n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mjg h VAL 551 N 0.21 0.81 0.00 0.00 -1.51 -1.94 0.09 116.25 113.91 1mjg h VAL 551 Ca 0.07 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1mjg h VAL 551 Cb -0.01 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1mjg h VAL 551 CO -0.03 0.04 0.00 0.47 -1.23 0.00 0.00 177.57 176.82 1mjg n ASP 552 N -4.16 0.00 0.28 4.19 9.92 -0.52 -1.28 116.55 124.98 1mjg n ASP 552 Ca -0.03 -0.39 0.18 0.00 -0.53 0.00 0.00 54.79 54.03 1mjg n ASP 552 Cb 0.13 0.00 0.86 0.00 -0.64 0.00 0.00 41.12 41.47 1mjg n ASP 552 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1mjg h ASN 553 N 0.00 0.00 0.29 -2.24 2.35 -0.98 0.49 115.58 115.49 1mjg h ASN 553 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1mjg h ASN 553 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1mjg h ASN 553 CO 0.00 0.00 -0.18 0.77 -1.65 0.00 0.00 177.43 176.37 1mjg h SER 554 N 0.00 0.00 -0.50 5.81 4.64 -1.41 -1.53 113.55 120.56 1mjg h SER 554 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1mjg h SER 554 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1mjg h SER 554 CO 0.00 0.18 -0.08 0.03 -0.87 0.00 0.00 176.83 176.09 1mjg h ARG 555 N 0.00 0.94 -0.30 4.77 3.08 -1.12 -1.37 114.38 120.38 1mjg h ARG 555 Ca -0.00 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 1mjg h ARG 555 Cb 0.37 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1mjg h ARG 555 CO 0.02 1.00 0.08 0.00 -1.07 0.00 0.00 179.97 180.00 1mjg h ALA 556 N 0.91 1.59 -0.30 0.04 0.00 -1.34 -0.24 119.26 119.92 1mjg h ALA 556 Ca 0.13 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1mjg h ALA 556 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1mjg h ALA 556 CO 0.04 0.31 -0.23 0.28 0.00 0.00 0.00 179.25 179.66 1mjg h VAL 557 N 0.42 1.30 -0.91 0.00 2.07 -0.98 -0.50 116.25 117.65 1mjg h VAL 557 Ca 0.10 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.32 1mjg h VAL 557 Cb 0.15 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1mjg h VAL 557 CO -0.01 0.44 0.59 0.44 0.02 0.00 0.00 177.57 179.05 1mjg h ASP 558 N 0.43 0.88 -0.50 0.57 3.32 -0.27 0.13 116.42 120.99 1mjg h ASP 558 Ca 0.06 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1mjg h ASP 558 Cb 0.78 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1mjg h ASP 558 CO 0.06 0.55 0.07 0.25 -1.72 0.00 0.00 179.24 178.45 1mjg h LEU 559 N 0.99 0.80 -0.49 1.55 5.85 -0.70 -1.11 115.31 122.20 1mjg h LEU 559 Ca 0.40 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1mjg h LEU 559 Cb 0.26 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1mjg h LEU 559 CO -0.16 0.86 0.25 0.25 -0.34 0.00 0.00 178.44 179.31 1mjg h LEU 560 N 0.70 0.62 -0.87 2.25 5.85 0.37 -1.07 115.31 123.16 1mjg h LEU 560 Ca 0.15 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1mjg h LEU 560 Cb 0.41 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1mjg h LEU 560 CO 0.01 0.55 0.14 0.24 -0.34 0.00 0.00 178.44 179.04 1mjg h MET 561 N 0.64 0.98 -0.47 1.25 2.86 -0.63 -0.48 114.93 119.09 1mjg h MET 561 Ca 0.17 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1mjg h MET 561 Cb 0.08 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1mjg h MET 561 CO -0.02 0.88 0.21 0.00 1.06 0.00 0.00 176.91 179.03 1mjg h ALA 562 N 1.22 0.60 -0.33 6.32 0.00 -0.87 -0.91 119.26 125.30 1mjg h ALA 562 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 562 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1mjg h ALA 562 CO 0.00 0.18 0.19 0.52 0.00 0.00 0.00 179.25 180.14 1mjg h MET 563 N 0.61 0.45 -0.56 0.00 2.07 -0.79 -1.90 114.93 114.80 1mjg h MET 563 Ca 0.16 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.72 1mjg h MET 563 Cb 0.15 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 29.76 1mjg h MET 563 CO -0.02 0.36 0.27 0.00 1.07 0.00 0.00 176.91 178.59 1mjg h ALA 564 N 1.07 0.73 -0.37 6.32 0.00 -0.90 -1.12 119.26 124.98 1mjg h ALA 564 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1mjg h ALA 564 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1mjg h ALA 564 CO -0.02 0.29 -0.14 -0.91 0.00 0.00 0.00 179.25 178.46 1mjg h ASN 565 N 0.76 0.65 -0.19 0.00 2.35 -1.07 -0.05 115.58 118.03 1mjg h ASN 565 Ca 0.19 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1mjg h ASN 565 Cb 0.11 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1mjg h ASN 565 CO -0.03 0.82 -0.33 -0.78 -1.65 0.00 0.00 177.43 175.46 1mjg h ASP 566 N 0.60 0.73 1.16 5.81 -0.00 -1.08 -2.70 116.42 120.93 1mjg h ASP 566 Ca 0.10 -0.30 0.00 0.00 -0.00 0.00 0.00 57.03 56.83 1mjg h ASP 566 Cb 0.59 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.72 1mjg h ASP 566 CO 0.04 1.00 0.00 0.18 -0.00 0.00 0.00 179.24 180.46 1mjg n LEU 567 N -4.07 0.41 -2.38 2.28 4.77 -0.45 -4.94 117.00 112.63 1mjg n LEU 567 Ca -0.01 0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 56.37 1mjg n LEU 567 Cb 0.49 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1mjg n LEU 567 CO 0.45 -0.14 0.15 0.61 -1.33 0.00 0.00 177.39 177.13 1mjg n GLY 568 N 1.22 0.04 3.24 -0.72 0.00 -0.12 -5.03 105.19 103.81 1mjg n GLY 568 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1mjg n GLY 568 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mjg s VAL 569 N -3.19 0.08 0.66 1.61 -7.23 -0.69 -5.02 120.40 106.61 1mjg s VAL 569 Ca 0.34 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 1mjg s VAL 569 Cb -0.15 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1mjg s VAL 569 CO 0.44 -0.36 1.06 -0.62 -0.31 0.00 0.00 175.10 175.31 1mjg s ASP 570 N -3.02 5.86 0.46 4.85 3.68 -1.26 -4.40 116.67 122.85 1mjg s ASP 570 Ca 0.22 1.27 0.22 0.00 2.13 0.00 0.00 52.55 56.40 1mjg s ASP 570 Cb 0.06 -2.21 1.23 0.00 -1.45 0.00 0.00 42.92 40.54 1mjg s ASP 570 CO 0.02 -1.09 1.89 0.71 0.13 0.00 0.00 175.17 176.83 1mjg h THR 571 N -0.47 0.66 0.00 1.71 1.35 -1.90 -2.31 112.91 111.95 1mjg h THR 571 Ca -0.44 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1mjg h THR 571 Cb 1.22 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1mjg h THR 571 CO 0.63 0.05 0.05 -0.65 -0.25 0.00 0.00 175.52 175.34 1mjg h PRO 572 N 0.25 0.00 -0.02 4.72 0.11 -1.83 -1.43 132.00 133.79 1mjg h PRO 572 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1mjg h PRO 572 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1mjg h PRO 572 CO -0.10 0.00 -0.19 1.63 -0.21 0.00 0.00 178.00 179.12 1mjg n LYS 573 N -2.57 1.79 -3.01 1.05 5.02 -0.87 -4.94 118.16 114.63 1mjg n LYS 573 Ca -0.02 -1.44 -0.40 0.00 -2.02 0.00 0.00 58.31 54.43 1mjg n LYS 573 Cb 0.09 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1mjg n LYS 573 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mjg s VAL 574 N -2.20 4.85 -1.18 -0.18 1.01 -0.54 -4.87 120.40 117.28 1mjg s VAL 574 Ca 0.25 1.56 -0.20 0.00 0.00 0.00 0.00 61.98 63.59 1mjg s VAL 574 Cb 0.19 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1mjg s VAL 574 CO 0.42 0.33 1.92 -2.65 0.00 0.00 0.00 175.10 175.11 1mjg n PRO 575 N 3.13 2.28 -3.77 2.72 -0.02 -1.26 -4.81 135.00 133.27 1mjg n PRO 575 Ca -0.02 -2.62 -0.14 0.00 -2.02 0.00 0.00 63.50 58.70 1mjg n PRO 575 Cb 0.51 -3.43 -0.15 0.00 -0.02 0.00 0.00 33.50 30.41 1mjg n PRO 575 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1mjg s PHE 576 N 6.53 -0.10 0.03 6.00 5.36 -1.26 -1.38 117.98 133.17 1mjg s PHE 576 Ca 0.58 0.34 0.02 0.00 -0.96 0.00 0.00 56.93 56.92 1mjg s PHE 576 Cb 0.06 -0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.62 1mjg s PHE 576 CO 0.08 -0.12 -0.07 0.14 -1.46 0.00 0.00 175.22 173.78 1mjg s VAL 577 N 0.95 0.53 0.08 3.12 -7.23 -0.48 -4.13 120.40 113.24 1mjg s VAL 577 Ca -0.07 -0.86 0.05 0.00 -1.81 0.00 0.00 61.98 59.28 1mjg s VAL 577 Cb -0.10 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 1mjg s VAL 577 CO -0.04 -0.24 -0.02 0.00 -0.31 0.00 0.00 175.10 174.49 1mjg s ALA 578 N -1.04 3.23 -0.11 1.32 0.00 -0.60 -1.06 121.76 123.50 1mjg s ALA 578 Ca -0.07 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 1mjg s ALA 578 Cb -0.08 -1.16 0.04 0.00 0.00 0.00 0.00 23.12 21.93 1mjg s ALA 578 CO 0.00 0.69 0.27 0.45 0.00 0.00 0.00 175.76 177.17 1mjg s SER 579 N -2.22 -0.30 -0.65 0.00 0.15 0.18 -0.33 113.70 110.53 1mjg s SER 579 Ca 0.24 0.57 0.05 0.00 0.70 0.00 0.00 55.95 57.51 1mjg s SER 579 Cb -0.12 0.48 0.17 0.00 -1.71 0.00 0.00 66.02 64.84 1mjg s SER 579 CO 0.17 -0.16 0.46 0.00 1.20 0.00 0.00 173.24 174.91 1mjg s ALA 580 N 1.09 3.40 0.34 5.45 0.00 0.67 -0.59 121.76 132.12 1mjg s ALA 580 Ca -0.08 -3.59 0.11 0.00 0.00 0.00 0.00 51.96 48.40 1mjg s ALA 580 Cb -0.09 -2.07 0.90 0.00 0.00 0.00 0.00 23.12 21.87 1mjg s ALA 580 CO -0.08 -2.08 1.78 -1.35 0.00 0.00 0.00 175.76 174.04 1mjg h PRO 581 N 5.46 0.58 -1.09 0.00 0.11 -1.81 0.32 132.00 135.56 1mjg h PRO 581 Ca 0.16 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.79 1mjg h PRO 581 Cb 0.78 -0.13 -0.41 0.00 0.11 0.00 0.00 31.00 31.35 1mjg h PRO 581 CO 0.66 0.38 -0.98 0.39 -0.21 0.00 0.00 178.00 178.24 1mjg n GLU 582 N -4.72 2.33 -1.69 1.05 1.02 -1.26 -3.58 120.64 113.79 1mjg n GLU 582 Ca 0.24 -3.85 -0.44 0.00 -0.02 0.00 0.00 57.16 53.10 1mjg n GLU 582 Cb 0.70 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 1mjg n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mjg n ALA 583 N -0.35 1.27 0.08 0.62 0.00 -1.18 -1.38 120.51 119.55 1mjg n ALA 583 Ca 0.24 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1mjg n ALA 583 Cb 0.78 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1mjg n ALA 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1mjg n MET 584 N 1.39 0.00 -0.83 0.00 0.00 -1.26 -4.54 117.12 111.88 1mjg n MET 584 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.48 1mjg n MET 584 Cb 0.34 -0.02 0.15 0.00 0.00 0.00 0.00 33.22 33.69 1mjg n MET 584 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1mjg s SER 585 N -5.02 3.16 0.38 6.12 1.04 -1.26 -4.90 113.70 113.21 1mjg s SER 585 Ca 0.00 2.04 0.12 0.00 0.48 0.00 0.00 55.95 58.60 1mjg s SER 585 Cb 0.00 -2.53 0.75 0.00 0.10 0.00 0.00 66.02 64.34 1mjg s SER 585 CO 0.00 -2.93 1.85 1.23 0.98 0.00 0.00 173.24 174.37 1mjg h GLY 586 N -1.75 0.03 1.01 7.32 0.00 -1.93 -2.06 103.07 105.70 1mjg h GLY 586 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1mjg h GLY 586 CO 0.45 0.02 0.59 0.50 0.00 0.00 0.00 176.54 178.10 1mjg h LYS 587 N 0.02 1.25 -0.57 4.80 1.57 -1.83 -0.47 116.57 121.34 1mjg h LYS 587 Ca 0.00 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1mjg h LYS 587 Cb 0.61 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1mjg h LYS 587 CO 0.04 0.85 0.08 0.00 -0.57 0.00 0.00 179.45 179.85 1mjg h ALA 588 N 1.33 1.06 -0.30 3.86 0.00 -1.73 0.74 119.26 124.22 1mjg h ALA 588 Ca 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 588 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1mjg h ALA 588 CO -0.07 0.60 0.12 0.00 0.00 0.00 0.00 179.25 179.91 1mjg h ALA 589 N 1.20 0.39 -0.42 0.00 0.00 -1.01 0.79 119.26 120.22 1mjg h ALA 589 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1mjg h ALA 589 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1mjg h ALA 589 CO 0.01 -0.02 0.13 0.00 0.00 0.00 0.00 179.25 179.37 1mjg h ALA 590 N 0.97 0.55 -0.30 0.00 0.00 -0.79 -1.79 119.26 117.89 1mjg h ALA 590 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1mjg h ALA 590 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1mjg h ALA 590 CO -0.01 0.20 0.17 0.82 0.00 0.00 0.00 179.25 180.42 1mjg h ILE 591 N 0.53 1.13 -1.00 0.00 2.04 -0.67 -1.15 117.51 118.38 1mjg h ILE 591 Ca 0.13 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1mjg h ILE 591 Cb 0.26 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1mjg h ILE 591 CO -0.00 0.13 0.65 1.23 0.00 0.00 0.00 178.15 180.16 1mjg h GLY 592 N 0.37 1.48 0.96 5.37 0.00 -0.75 -1.86 103.07 108.63 1mjg h GLY 592 Ca 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1mjg h GLY 592 CO -0.02 0.40 0.07 -0.84 0.00 0.00 0.00 176.54 176.15 1mjg h THR 593 N 1.24 1.24 0.00 4.70 2.02 -0.66 -2.57 112.91 118.88 1mjg h THR 593 Ca 0.41 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1mjg h THR 593 Cb 0.05 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1mjg h THR 593 CO -0.14 0.31 -0.23 4.11 0.37 0.00 0.00 175.52 179.94 1mjg h TRP 594 N 0.59 0.00 -0.29 3.16 5.08 -0.86 -1.70 115.95 121.93 1mjg h TRP 594 Ca 0.13 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.09 1mjg h TRP 594 Cb 0.38 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.52 1mjg h TRP 594 CO 0.03 0.23 0.12 -1.49 -1.28 0.00 0.00 178.44 176.05 1mjg h TRP 595 N 0.00 0.42 -0.58 0.12 -0.00 -1.13 0.24 115.95 115.03 1mjg h TRP 595 Ca -0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.89 1mjg h TRP 595 Cb 0.83 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.16 29.83 1mjg h TRP 595 CO 0.00 0.41 0.35 0.28 -0.00 0.00 0.00 178.44 179.47 1mjg h VAL 596 N 0.32 1.05 -0.54 1.49 2.07 -1.20 -1.77 116.25 117.68 1mjg h VAL 596 Ca 0.10 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1mjg h VAL 596 Cb 0.16 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1mjg h VAL 596 CO -0.01 0.12 0.20 0.28 0.02 0.00 0.00 177.57 178.19 1mjg h SER 597 N 0.68 0.71 -0.01 0.57 0.02 -0.83 -1.74 113.55 112.95 1mjg h SER 597 Ca 0.23 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1mjg h SER 597 Cb 0.04 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1mjg h SER 597 CO -0.11 0.65 0.00 0.18 -1.14 0.00 0.00 176.83 176.41 1mjg n LEU 598 N -4.33 0.18 0.00 5.07 4.77 0.80 -4.86 117.00 118.62 1mjg n LEU 598 Ca 0.04 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1mjg n LEU 598 Cb 0.17 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1mjg n LEU 598 CO 0.38 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1mjg n GLY 599 N 0.47 0.46 3.51 -0.72 0.00 -0.66 -4.68 105.19 103.57 1mjg n GLY 599 Ca 0.00 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1mjg n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjg s VAL 600 N -2.00 3.30 0.16 1.61 1.01 -0.84 -3.62 120.40 120.02 1mjg s VAL 600 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 1mjg s VAL 600 Cb 0.00 -2.32 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 1mjg s VAL 600 CO 0.00 0.59 1.50 -2.84 0.00 0.00 0.00 175.10 174.35 1mjg s PRO 601 N -0.68 4.25 -0.26 2.72 0.02 -1.26 -2.86 135.00 136.93 1mjg s PRO 601 Ca 0.10 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.41 1mjg s PRO 601 Cb -0.11 -3.17 0.07 0.00 0.02 0.00 0.00 34.50 31.31 1mjg s PRO 601 CO 0.01 -0.53 -0.02 0.99 -0.33 0.00 0.00 177.00 177.11 1mjg s THR 602 N 0.96 1.58 0.07 0.99 2.01 0.99 -1.55 115.64 120.68 1mjg s THR 602 Ca 0.67 -1.42 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1mjg s THR 602 Cb -0.42 -1.92 -0.06 0.00 0.01 0.00 0.00 72.50 70.11 1mjg s THR 602 CO 0.33 -0.23 0.75 -2.28 -0.69 0.00 0.00 174.62 172.49 1mjg s HIS 603 N 1.34 3.77 -0.10 4.92 5.04 0.55 -0.56 115.29 130.24 1mjg s HIS 603 Ca -0.02 1.48 0.01 0.00 -1.54 0.00 0.00 55.06 54.99 1mjg s HIS 603 Cb -0.19 -2.78 0.02 0.00 0.04 0.00 0.00 32.58 29.67 1mjg s HIS 603 CO -0.09 0.34 -0.12 0.08 -2.34 0.00 0.00 174.74 172.62 1mjg s VAL 604 N -0.33 1.26 -1.30 0.89 1.01 -0.52 -0.24 120.40 121.17 1mjg s VAL 604 Ca 0.37 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1mjg s VAL 604 Cb -0.21 -1.19 0.20 0.00 0.00 0.00 0.00 36.38 35.18 1mjg s VAL 604 CO 0.23 0.40 0.96 0.61 0.00 0.00 0.00 175.10 177.29 1mjg n GLY 605 N 4.43 1.06 3.18 4.51 0.00 0.11 -2.85 105.19 115.63 1mjg n GLY 605 Ca -0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1mjg n GLY 605 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mjg s THR 606 N -1.58 0.06 -0.21 2.61 -4.23 -1.26 -4.46 115.64 106.57 1mjg s THR 606 Ca 0.14 -0.49 -0.19 0.00 -1.18 0.00 0.00 61.69 59.96 1mjg s THR 606 Cb 0.09 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.38 1mjg s THR 606 CO 0.06 -0.27 0.57 -0.32 -0.54 0.00 0.00 174.62 174.12 1mjg s MET 607 N -1.16 4.17 0.89 3.99 1.75 -1.26 -4.91 119.30 122.78 1mjg s MET 607 Ca -0.12 0.49 -0.12 0.00 -1.25 0.00 0.00 55.69 54.68 1mjg s MET 607 Cb -0.06 -3.59 0.12 0.00 2.84 0.00 0.00 34.83 34.15 1mjg s MET 607 CO 0.03 -0.23 1.11 -2.14 -0.65 0.00 0.00 175.02 173.14 1mjg s PRO 608 N 1.91 1.32 -1.09 4.11 0.02 -1.26 -4.87 135.00 135.14 1mjg s PRO 608 Ca 0.25 0.49 -0.18 0.00 0.02 0.00 0.00 61.00 61.58 1mjg s PRO 608 Cb -0.16 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 1mjg s PRO 608 CO 0.10 -2.11 2.08 -0.35 -0.33 0.00 0.00 177.00 176.38 1mjg n PRO 609 N -3.74 2.14 0.00 5.54 -0.04 -1.26 -4.31 135.00 133.34 1mjg n PRO 609 Ca 0.06 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1mjg n PRO 609 Cb 0.58 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 1mjg n PRO 609 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1mjg n VAL 610 N 5.53 0.00 0.30 0.52 0.24 -1.24 -3.88 118.33 119.80 1mjg n VAL 610 Ca 0.51 -0.31 0.19 0.00 -2.04 0.00 0.00 64.34 62.69 1mjg n VAL 610 Cb 0.39 1.07 0.89 0.00 -1.47 0.00 0.00 33.84 34.71 1mjg n VAL 610 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1mjg h GLU 611 N 0.00 0.00 0.00 7.34 5.08 -1.74 -2.72 114.58 122.54 1mjg h GLU 611 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mjg h GLU 611 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1mjg h GLU 611 CO 0.00 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 1mjg n GLY 612 N -0.43 -0.78 2.78 -3.84 0.00 0.11 -4.42 105.19 98.61 1mjg n GLY 612 Ca -0.01 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1mjg n GLY 612 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mjg s SER 613 N -3.40 2.52 0.40 1.61 0.15 -1.02 -4.90 113.70 109.06 1mjg s SER 613 Ca 0.01 -0.58 0.14 0.00 0.70 0.00 0.00 55.95 56.22 1mjg s SER 613 Cb 0.04 -0.62 0.84 0.00 -1.71 0.00 0.00 66.02 64.57 1mjg s SER 613 CO 0.15 -0.25 1.89 0.44 1.20 0.00 0.00 173.24 176.67 1mjg h ASP 614 N 8.24 0.00 0.39 5.45 3.32 -1.84 0.24 116.42 132.22 1mjg h ASP 614 Ca -0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1mjg h ASP 614 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1mjg h ASP 614 CO 0.33 0.29 -0.19 0.25 -1.72 0.00 0.00 179.24 178.21 1mjg h LEU 615 N 0.00 -0.44 -0.21 1.55 7.12 -1.94 -0.48 115.31 120.90 1mjg h LEU 615 Ca -0.00 -0.11 -0.01 0.00 0.13 0.00 0.00 57.88 57.89 1mjg h LEU 615 Cb 0.52 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.76 1mjg h LEU 615 CO 0.04 -0.13 0.11 0.40 -0.13 0.00 0.00 178.44 178.73 1mjg h ILE 616 N -0.78 1.12 -0.83 4.05 1.08 -1.85 -1.59 117.51 118.69 1mjg h ILE 616 Ca -0.05 -0.32 0.10 0.00 -0.39 0.00 0.00 64.86 64.20 1mjg h ILE 616 Cb 0.53 0.94 -0.08 0.00 -3.07 0.00 0.00 36.82 35.14 1mjg h ILE 616 CO 0.09 0.11 0.47 0.22 -0.69 0.00 0.00 178.15 178.35 1mjg h TYR 617 N 0.23 0.85 -0.32 1.37 5.03 -0.95 -0.52 116.97 122.66 1mjg h TYR 617 Ca 0.07 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.29 1mjg h TYR 617 Cb 0.08 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.09 1mjg h TYR 617 CO -0.03 0.32 -0.31 1.03 -1.32 0.00 0.00 178.16 177.85 1mjg h SER 618 N 0.77 0.71 -0.45 -2.11 0.87 -0.80 -1.23 113.55 111.31 1mjg h SER 618 Ca 0.41 -0.28 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1mjg h SER 618 Cb 0.42 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1mjg h SER 618 CO -0.27 0.97 0.07 0.40 -0.53 0.00 0.00 176.83 177.47 1mjg h ILE 619 N 0.58 1.25 -0.42 2.23 2.04 -0.28 0.29 117.51 123.21 1mjg h ILE 619 Ca 0.07 -0.90 -0.13 0.00 1.00 0.00 0.00 64.86 64.89 1mjg h ILE 619 Cb 0.82 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1mjg h ILE 619 CO 0.07 0.32 -0.27 -0.07 0.00 0.00 0.00 178.15 178.20 1mjg h LEU 620 N 0.60 0.91 0.00 1.44 3.38 -1.01 -0.16 115.31 120.48 1mjg h LEU 620 Ca 0.13 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1mjg h LEU 620 Cb 0.39 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1mjg h LEU 620 CO 0.01 1.12 -1.87 0.35 0.09 0.00 0.00 178.44 178.14 1mjg n THR 621 N -4.09 0.11 0.07 0.22 -2.24 -0.48 -1.41 114.28 106.46 1mjg n THR 621 Ca -0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1mjg n THR 621 Cb 0.47 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1mjg n THR 621 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mjg n GLN 622 N -2.33 0.00 -0.03 -0.78 6.02 0.91 -4.60 117.38 116.57 1mjg n GLN 622 Ca -0.04 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.98 1mjg n GLN 622 Cb 0.58 -0.39 0.37 0.00 1.02 0.00 0.00 30.24 31.82 1mjg n GLN 622 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1mjg h ILE 623 N 0.00 1.14 -0.66 5.09 1.08 -1.28 -1.97 117.51 120.92 1mjg h ILE 623 Ca 0.00 -0.34 0.07 0.00 -0.39 0.00 0.00 64.86 64.20 1mjg h ILE 623 Cb 0.03 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 1mjg h ILE 623 CO 0.00 0.15 0.44 0.00 -0.69 0.00 0.00 178.15 178.05 1mjg h ALA 624 N 1.66 1.80 0.00 1.87 0.00 -1.25 0.48 119.26 123.83 1mjg h ALA 624 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1mjg h ALA 624 Cb 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1mjg h ALA 624 CO -0.03 0.09 -0.09 0.66 0.00 0.00 0.00 179.25 179.88 1mjg h SER 625 N 0.63 0.00 0.34 0.00 4.64 -0.70 0.38 113.55 118.84 1mjg h SER 625 Ca 0.29 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.28 1mjg h SER 625 Cb 0.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1mjg h SER 625 CO -0.09 0.09 -1.77 0.44 -0.87 0.00 0.00 176.83 174.62 1mjg h ASP 626 N 0.00 0.27 0.00 4.97 3.32 -1.03 -3.13 116.42 120.82 1mjg h ASP 626 Ca -0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 57.03 56.49 1mjg h ASP 626 Cb 0.41 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1mjg h ASP 626 CO 0.01 1.47 -0.28 0.58 -1.72 0.00 0.00 179.24 179.30 1mjg h VAL 627 N 0.05 0.73 0.00 -1.35 2.07 -0.72 -3.42 116.25 113.62 1mjg h VAL 627 Ca -0.33 -1.63 -0.28 0.00 0.82 0.00 0.00 66.70 65.28 1mjg h VAL 627 Cb 2.02 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 1mjg h VAL 627 CO 0.11 0.25 -2.29 -1.22 0.02 0.00 0.00 177.57 174.43 1mjg n TYR 628 N -4.64 0.00 0.00 1.57 4.02 0.12 -5.01 117.16 113.22 1mjg n TYR 628 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1mjg n TYR 628 Cb 0.31 -0.88 0.00 0.00 -0.02 0.00 0.00 39.34 38.75 1mjg n TYR 628 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mjg n GLY 629 N 1.64 2.60 4.00 2.72 0.00 -0.47 -4.19 105.19 111.50 1mjg n GLY 629 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1mjg n GLY 629 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mjg s GLY 630 N -2.57 1.78 -0.23 -0.02 0.00 -1.18 -4.53 107.32 100.58 1mjg s GLY 630 Ca 0.00 -1.78 -0.33 0.00 0.00 0.00 0.00 44.72 42.61 1mjg s GLY 630 CO 0.00 -1.33 1.25 -2.52 0.00 0.00 0.00 173.10 170.50 1mjg s TYR 631 N -2.86 -0.11 0.14 1.90 -0.85 -1.14 -1.98 117.35 112.45 1mjg s TYR 631 Ca 0.62 0.12 -0.25 0.00 -0.52 0.00 0.00 57.07 57.05 1mjg s TYR 631 Cb -0.07 0.50 -0.08 0.00 0.38 0.00 0.00 41.96 42.70 1mjg s TYR 631 CO 0.41 -0.15 0.75 -0.06 -1.52 0.00 0.00 175.55 174.98 1mjg s PHE 632 N -1.83 3.88 -0.34 -3.49 0.40 -0.50 -0.01 117.98 116.09 1mjg s PHE 632 Ca 0.08 1.58 0.03 0.00 -0.60 0.00 0.00 56.93 58.02 1mjg s PHE 632 Cb -0.01 -2.74 0.09 0.00 0.51 0.00 0.00 43.02 40.87 1mjg s PHE 632 CO -0.05 0.50 0.04 0.42 0.70 0.00 0.00 175.22 176.83 1mjg s ILE 633 N -1.01 2.41 -0.34 0.64 1.01 0.27 -4.48 121.20 119.69 1mjg s ILE 633 Ca 0.35 -2.18 -0.18 0.00 0.00 0.00 0.00 60.65 58.64 1mjg s ILE 633 Cb -0.22 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1mjg s ILE 633 CO 0.25 -0.51 0.50 -0.36 0.00 0.00 0.00 174.94 174.81 1mjg s PHE 634 N 0.97 3.19 -0.23 3.97 2.99 -1.26 -1.44 117.98 126.16 1mjg s PHE 634 Ca 0.07 0.18 -0.05 0.00 0.00 0.00 0.00 56.93 57.13 1mjg s PHE 634 Cb -0.20 -2.89 0.12 0.00 0.00 0.00 0.00 43.02 40.06 1mjg s PHE 634 CO -0.07 -0.52 0.44 -2.00 -0.00 0.00 0.00 175.22 173.08 1mjg s GLU 635 N 2.35 0.38 0.36 0.44 2.56 -1.13 -3.61 118.70 120.05 1mjg s GLU 635 Ca 0.18 0.88 0.23 0.00 0.00 0.00 0.00 54.97 56.26 1mjg s GLU 635 Cb -0.16 0.09 0.34 0.00 2.00 0.00 0.00 34.13 36.41 1mjg s GLU 635 CO 0.13 -0.43 1.52 0.52 -0.56 0.00 0.00 175.26 176.44 1mjg h MET 636 N 8.15 0.00 -5.86 4.30 2.86 -1.82 -3.38 114.93 119.17 1mjg h MET 636 Ca -0.18 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.84 1mjg h MET 636 Cb 1.13 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.67 1mjg h MET 636 CO 0.19 0.00 0.45 0.34 1.06 0.00 0.00 176.91 178.95 1mjg s ASP 637 N -5.79 6.41 0.36 1.22 3.68 -1.26 -4.94 116.67 116.34 1mjg s ASP 637 Ca 0.06 -0.14 0.11 0.00 2.13 0.00 0.00 52.55 54.71 1mjg s ASP 637 Cb 0.07 -2.41 0.88 0.00 -1.45 0.00 0.00 42.92 40.01 1mjg s ASP 637 CO 0.68 -1.02 1.82 1.55 0.13 0.00 0.00 175.17 178.34 1mjg h PRO 638 N 9.08 0.60 -0.24 4.34 0.13 -1.92 0.19 132.00 144.19 1mjg h PRO 638 Ca -0.25 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 1mjg h PRO 638 Cb 1.08 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1mjg h PRO 638 CO 1.01 0.40 -0.04 1.96 -0.23 0.00 0.00 178.00 181.09 1mjg h GLN 639 N 0.62 0.45 -0.63 0.86 1.08 -1.92 -1.01 115.11 114.56 1mjg h GLN 639 Ca 0.51 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.47 1mjg h GLN 639 Cb 0.97 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.35 1mjg h GLN 639 CO -0.27 0.67 0.08 0.28 -0.95 0.00 0.00 178.83 178.64 1mjg h VAL 640 N 0.19 1.26 -0.31 -0.54 2.07 -1.79 -2.56 116.25 114.56 1mjg h VAL 640 Ca 0.06 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1mjg h VAL 640 Cb 0.49 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1mjg h VAL 640 CO 0.02 0.39 0.13 0.00 0.02 0.00 0.00 177.57 178.12 1mjg h ALA 641 N 1.10 0.37 -0.71 1.67 0.00 -0.46 0.98 119.26 122.20 1mjg h ALA 641 Ca 0.19 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1mjg h ALA 641 Cb 0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1mjg h ALA 641 CO 0.02 -0.27 0.45 0.00 0.00 0.00 0.00 179.25 179.45 1mjg h ALA 642 N 1.19 0.93 -0.55 0.00 0.00 -0.98 0.21 119.26 120.06 1mjg h ALA 642 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1mjg h ALA 642 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1mjg h ALA 642 CO -0.13 0.24 0.24 -0.09 0.00 0.00 0.00 179.25 179.51 1mjg h ARG 643 N 0.89 0.82 -0.37 0.00 2.43 -0.98 -0.44 114.38 116.73 1mjg h ARG 643 Ca 0.28 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1mjg h ARG 643 Cb 0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1mjg h ARG 643 CO -0.10 0.70 -0.10 0.87 -1.51 0.00 0.00 179.97 179.83 1mjg h LYS 644 N 0.76 0.64 -0.57 0.20 1.57 -0.05 0.01 116.57 119.13 1mjg h LYS 644 Ca 0.19 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1mjg h LYS 644 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1mjg h LYS 644 CO -0.02 0.73 0.12 0.82 -0.57 0.00 0.00 179.45 180.53 1mjg h ILE 645 N 0.59 1.25 -0.31 1.86 2.04 -0.19 -1.08 117.51 121.66 1mjg h ILE 645 Ca 0.11 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1mjg h ILE 645 Cb 0.52 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1mjg h ILE 645 CO 0.03 0.34 -0.12 -0.07 0.00 0.00 0.00 178.15 178.33 1mjg h LEU 646 N 0.82 0.51 -0.81 1.44 3.38 -0.61 -1.75 115.31 118.29 1mjg h LEU 646 Ca 0.18 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1mjg h LEU 646 Cb 0.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1mjg h LEU 646 CO 0.00 0.67 0.03 0.44 0.09 0.00 0.00 178.44 179.67 1mjg h ASP 647 N 0.49 0.89 -0.43 -0.43 3.32 -0.49 -0.51 116.42 119.26 1mjg h ASP 647 Ca 0.09 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1mjg h ASP 647 Cb 0.50 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1mjg h ASP 647 CO 0.03 0.93 -0.05 0.00 -1.72 0.00 0.00 179.24 178.43 1mjg h ALA 648 N 1.17 0.99 -0.19 3.45 0.00 -0.58 -0.21 119.26 123.89 1mjg h ALA 648 Ca 0.17 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1mjg h ALA 648 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1mjg h ALA 648 CO 0.02 0.61 -0.54 -0.07 0.00 0.00 0.00 179.25 179.27 1mjg h LEU 649 N 0.79 0.81 -1.01 0.00 3.38 -1.09 -3.01 115.31 115.17 1mjg h LEU 649 Ca 0.14 -0.58 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1mjg h LEU 649 Cb 0.54 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1mjg h LEU 649 CO 0.03 1.24 0.18 -0.08 0.09 0.00 0.00 178.44 179.90 1mjg h GLU 650 N 0.41 0.89 -0.18 1.13 4.22 -0.95 0.20 114.58 120.29 1mjg h GLU 650 Ca -0.01 -0.17 0.03 0.00 0.08 0.00 0.00 59.36 59.29 1mjg h GLU 650 Cb 1.16 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1mjg h GLU 650 CO 0.12 0.77 -0.03 -0.92 -2.18 0.00 0.00 179.01 176.76 1mjg h TYR 651 N 0.86 -0.07 -0.22 0.92 3.20 -1.00 0.46 116.97 121.11 1mjg h TYR 651 Ca 0.19 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.89 1mjg h TYR 651 Cb 0.26 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1mjg h TYR 651 CO 0.02 -0.06 -0.62 0.00 -1.64 0.00 0.00 178.16 175.86 1mjg h ARG 652 N 0.01 0.76 -0.67 1.82 3.08 -1.31 -1.04 114.38 117.03 1mjg h ARG 652 Ca 0.09 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1mjg h ARG 652 Cb 0.12 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1mjg h ARG 652 CO -0.17 1.14 0.31 1.15 -1.07 0.00 0.00 179.97 181.33 1mjg h THR 653 N 0.56 1.23 0.73 2.04 2.02 -0.41 0.12 112.91 119.20 1mjg h THR 653 Ca -0.01 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1mjg h THR 653 Cb 1.22 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1mjg h THR 653 CO 0.13 0.27 -0.35 -0.25 0.37 0.00 0.00 175.52 175.69 1mjg h TRP 654 N 0.93 -0.91 -0.48 3.16 7.01 0.03 -2.23 115.95 123.47 1mjg h TRP 654 Ca 0.23 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.21 1mjg h TRP 654 Cb 0.14 0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 1mjg h TRP 654 CO 0.01 -0.54 0.31 -0.22 -2.79 0.00 0.00 178.44 175.20 1mjg h LYS 655 N -1.19 0.63 -0.63 2.65 3.64 -1.16 -0.90 116.57 119.62 1mjg h LYS 655 Ca -0.10 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1mjg h LYS 655 Cb 0.77 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1mjg h LYS 655 CO 0.16 0.42 0.24 1.25 -2.27 0.00 0.00 179.45 179.26 1mjg h LEU 656 N 0.65 0.87 -0.28 5.20 6.46 -0.96 -0.97 115.31 126.29 1mjg h LEU 656 Ca 0.17 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1mjg h LEU 656 Cb -0.07 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.62 1mjg h LEU 656 CO -0.04 0.81 0.09 1.23 -0.62 0.00 0.00 178.44 179.91 1mjg h GLY 657 N 0.88 0.47 0.97 3.75 0.00 -0.59 -1.92 103.07 106.63 1mjg h GLY 657 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1mjg h GLY 657 CO -0.02 0.26 0.22 -2.08 0.00 0.00 0.00 176.54 174.93 1mjg h VAL 658 N 0.29 1.17 -0.67 4.60 2.07 -1.04 -1.90 116.25 120.77 1mjg h VAL 658 Ca 0.09 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1mjg h VAL 658 Cb 0.24 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1mjg h VAL 658 CO -0.00 0.18 0.30 0.45 0.02 0.00 0.00 177.57 178.52 1mjg h HIS 659 N 0.57 0.96 -0.21 1.57 -0.00 -1.07 0.11 115.15 117.07 1mjg h HIS 659 Ca 0.15 -0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.33 1mjg h HIS 659 Cb 0.09 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1mjg h HIS 659 CO -0.02 0.72 -0.46 0.87 -0.00 0.00 0.00 177.93 179.04 1mjg h LYS 660 N 0.95 0.55 -0.27 2.45 1.57 -1.16 0.32 116.57 120.98 1mjg h LYS 660 Ca 0.23 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1mjg h LYS 660 Cb 0.13 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1mjg h LYS 660 CO -0.03 0.90 0.01 0.93 -0.57 0.00 0.00 179.45 180.69 1mjg h GLU 661 N 0.44 0.47 -0.48 3.15 5.08 -0.86 -1.92 114.58 120.46 1mjg h GLU 661 Ca 0.03 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1mjg h GLU 661 Cb 0.98 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1mjg h GLU 661 CO 0.09 0.63 0.19 0.28 -1.00 0.00 0.00 179.01 179.20 1mjg h VAL 662 N 0.26 1.21 -0.91 3.13 2.07 -0.87 0.89 116.25 122.03 1mjg h VAL 662 Ca 0.08 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1mjg h VAL 662 Cb 0.41 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1mjg h VAL 662 CO 0.01 0.24 0.60 0.00 0.02 0.00 0.00 177.57 178.45 1mjg h ALA 663 N 1.04 1.38 -0.10 1.67 0.00 -0.82 0.93 119.26 123.36 1mjg h ALA 663 Ca 0.16 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 663 Cb 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1mjg h ALA 663 CO -0.01 0.56 -0.32 1.49 0.00 0.00 0.00 179.25 180.96 1mjg h GLU 664 N 1.20 0.40 -0.03 0.00 4.81 -1.05 0.26 114.58 120.17 1mjg h GLU 664 Ca 0.34 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1mjg h GLU 664 Cb -0.08 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1mjg h GLU 664 CO -0.09 0.92 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.01 1mjg h ARG 665 N -0.04 -0.01 -0.01 1.92 2.43 -0.36 -2.63 114.38 115.68 1mjg h ARG 665 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1mjg h ARG 665 Cb 0.95 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1mjg h ARG 665 CO 0.07 -0.00 -0.13 0.66 -1.51 0.00 0.00 179.97 179.06 1mjg n TYR 666 N -5.11 0.00 -3.16 2.20 4.02 0.28 -4.98 117.16 110.40 1mjg n TYR 666 Ca -0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.79 1mjg n TYR 666 Cb 0.05 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 1mjg n TYR 666 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1mjg n GLU 667 N -0.37 -1.36 -4.20 -0.72 1.02 0.63 -5.04 120.64 110.60 1mjg n GLU 667 Ca 0.16 1.39 -0.17 0.00 -0.02 0.00 0.00 57.16 58.52 1mjg n GLU 667 Cb 0.33 -5.29 -0.07 0.00 -0.02 0.00 0.00 31.44 26.40 1mjg n GLU 667 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1mjg s THR 668 N -3.00 0.00 0.87 2.62 -4.23 0.50 -5.02 115.64 107.38 1mjg s THR 668 Ca 0.00 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.56 1mjg s THR 668 Cb -0.00 -2.55 0.11 0.00 1.34 0.00 0.00 72.50 71.40 1mjg s THR 668 CO 0.77 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 175.40 1mjg s LYS 669 N -3.33 1.46 0.09 3.99 1.02 -1.26 -4.67 119.74 117.03 1mjg s LYS 669 Ca 0.37 0.84 -0.31 0.00 0.02 0.00 0.00 55.97 56.89 1mjg s LYS 669 Cb 0.02 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.43 1mjg s LYS 669 CO 0.24 -2.10 1.22 -1.17 -0.92 0.00 0.00 175.35 172.61 1mjg s LEU 670 N -6.14 4.38 0.25 3.17 2.96 -1.26 -4.76 118.68 117.28 1mjg s LEU 670 Ca 0.63 2.08 -0.31 0.00 -0.22 0.00 0.00 54.13 56.31 1mjg s LEU 670 Cb -0.17 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 1mjg s LEU 670 CO 0.57 -0.47 1.62 0.00 -1.32 0.00 0.00 176.35 176.74 1mjg n GLN 672 N 2.99 2.16 -1.71 0.00 1.13 -1.26 -4.96 117.38 115.74 1mjg n GLN 672 Ca 0.11 -1.73 -0.40 0.00 -1.94 0.00 0.00 57.00 53.05 1mjg n GLN 672 Cb 0.37 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.28 1mjg n GLN 672 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mjg n GLY 673 N 1.33 0.53 0.00 1.08 0.00 -1.26 -4.94 105.19 101.92 1mjg n GLY 673 Ca 0.17 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.36 1mjg n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60