#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 3.44 0.14 -1.55 0.40 -1.26 -5.00 117.98 114.15 1mjg s PHE 4 Ca 0.00 0.88 -0.14 0.00 -0.60 0.00 0.00 56.93 57.07 1mjg s PHE 4 Cb 0.00 -2.28 0.02 0.00 0.51 0.00 0.00 43.02 41.26 1mjg s PHE 4 CO 0.00 0.15 1.66 -0.09 0.70 0.00 0.00 175.22 177.64 1mjg h ARG 5 N 2.05 0.73 -6.11 0.44 2.43 -1.94 -3.37 114.38 108.61 1mjg h ARG 5 Ca -0.47 -0.17 -0.52 0.00 -0.81 0.00 0.00 59.98 58.02 1mjg h ARG 5 Cb 1.18 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 1mjg h ARG 5 CO 0.67 0.71 1.27 0.34 -1.51 0.00 0.00 179.97 181.45 1mjg s ASP 6 N -6.06 5.55 0.64 -3.80 -1.08 -1.26 -4.85 116.67 105.82 1mjg s ASP 6 Ca -0.13 0.22 0.35 0.00 -0.52 0.00 0.00 52.55 52.47 1mjg s ASP 6 Cb 0.11 -2.54 1.94 0.00 -1.46 0.00 0.00 42.92 40.97 1mjg s ASP 6 CO 0.78 -2.18 2.15 -0.07 0.52 0.00 0.00 175.17 176.37 1mjg h LEU 7 N 15.32 0.00 -0.05 -1.34 3.38 -2.02 0.30 115.31 130.89 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 1.22 0.00 -0.06 -1.54 0.09 0.00 0.00 178.44 178.14 1mjg n SER 8 N -3.27 0.14 -4.51 -0.43 3.41 -1.26 -4.69 113.62 103.01 1mjg n SER 8 Ca -0.01 -0.04 -0.43 0.00 -0.26 0.00 0.00 58.87 58.12 1mjg n SER 8 Cb 0.25 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.72 3.06 0.40 7.33 5.65 0.09 -5.03 115.29 124.08 1mjg s HIS 9 Ca 0.23 -0.14 0.02 0.00 0.25 0.00 0.00 55.06 55.42 1mjg s HIS 9 Cb 0.20 -3.35 -0.01 0.00 -1.18 0.00 0.00 32.58 28.24 1mjg s HIS 9 CO 0.50 -0.89 0.06 0.27 -0.65 0.00 0.00 174.74 174.04 1mjg n ASN 10 N 6.23 2.24 0.00 9.88 0.23 -1.26 -4.65 115.26 127.92 1mjg n ASN 10 Ca -0.03 -2.93 0.06 0.00 -0.53 0.00 0.00 54.58 51.15 1mjg n ASN 10 Cb 0.47 0.60 0.26 0.00 -2.08 0.00 0.00 39.78 39.04 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 -2.93 3.30 0.76 0.00 0.52 -1.26 -4.68 118.95 114.66 1mjg s ARG 12 Ca 0.07 -0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 54.47 1mjg s ARG 12 Cb 0.08 -2.87 0.05 0.00 0.52 0.00 0.00 34.95 32.72 1mjg s ARG 12 CO 0.21 0.50 1.08 -1.25 0.02 0.00 0.00 175.30 175.86 1mjg s PRO 13 N -3.34 2.41 1.21 3.54 0.04 -1.24 -4.97 135.00 132.65 1mjg s PRO 13 Ca 0.34 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 1mjg s PRO 13 Cb -0.10 -1.92 0.29 0.00 0.04 0.00 0.00 34.50 32.80 1mjg s PRO 13 CO 0.27 -1.50 1.12 -1.54 0.04 0.00 0.00 177.00 175.39 1mjg s SER 14 N -3.54 0.90 -0.00 6.66 1.04 -1.26 -4.92 113.70 112.58 1mjg s SER 14 Ca 0.60 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.66 1mjg s SER 14 Cb -0.16 -0.81 0.10 0.00 0.10 0.00 0.00 66.02 65.25 1mjg s SER 14 CO 0.56 -4.13 1.07 -0.62 0.98 0.00 0.00 173.24 171.09 1mjg n GLU 15 N -4.76 1.27 -1.66 4.02 -0.58 -1.26 -4.93 120.64 112.75 1mjg n GLU 15 Ca 0.14 -0.40 -0.38 0.00 -0.42 0.00 0.00 57.16 56.10 1mjg n GLU 15 Cb 0.60 -1.11 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 -0.17 0.53 -1.77 0.62 0.00 -1.26 -4.92 120.51 113.55 1mjg n ALA 16 Ca 0.04 0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 1mjg n ALA 16 Cb 0.10 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 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 -2.95 4.07 0.32 0.00 0.04 -1.26 -4.93 135.00 130.29 1mjg s PRO 17 Ca 0.78 1.95 0.14 0.00 0.04 0.00 0.00 61.00 63.90 1mjg s PRO 17 Cb -0.41 -2.74 0.50 0.00 0.04 0.00 0.00 34.50 31.89 1mjg s PRO 17 CO 0.45 -0.34 1.66 0.00 0.04 0.00 0.00 177.00 178.81 1mjg h ARG 18 N 2.73 0.00 -4.76 4.56 2.47 -1.94 -3.42 114.38 114.03 1mjg h ARG 18 Ca -0.49 0.00 -0.61 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 29.20 1mjg h ARG 18 CO 0.63 0.51 -0.84 0.08 0.56 0.00 0.00 179.97 180.91 1mjg s VAL 19 N -3.61 1.61 -0.04 2.04 1.01 -1.26 -4.63 120.40 115.51 1mjg s VAL 19 Ca -0.01 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 1mjg s VAL 19 Cb 0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1mjg s VAL 19 CO 0.73 0.46 0.74 -0.04 0.00 0.00 0.00 175.10 176.99 1mjg s MET 20 N 1.23 4.45 -0.76 2.72 -1.94 -0.76 -4.43 119.30 119.82 1mjg s MET 20 Ca -0.00 0.96 -0.09 0.00 -1.71 0.00 0.00 55.69 54.85 1mjg s MET 20 Cb -0.14 -3.43 0.01 0.00 2.01 0.00 0.00 34.83 33.28 1mjg s MET 20 CO -0.07 0.09 0.50 0.39 -0.01 0.00 0.00 175.02 175.92 1mjg n GLU 21 N 3.64 -0.98 0.18 2.03 1.02 -1.26 -4.78 120.64 120.48 1mjg n GLU 21 Ca -0.01 0.40 0.16 0.00 -0.02 0.00 0.00 57.16 57.69 1mjg n GLU 21 Cb 0.51 -1.77 0.60 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.49 0.00 -0.18 3.49 0.13 -1.96 -0.39 132.00 132.61 1mjg h PRO 22 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1mjg h PRO 22 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1mjg h PRO 22 CO 0.33 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.73 1mjg n LYS 23 N -3.12 2.23 -3.33 0.86 4.76 -1.26 -4.62 118.16 113.68 1mjg n LYS 23 Ca 0.05 -2.00 -0.40 0.00 -2.87 0.00 0.00 58.31 53.09 1mjg n LYS 23 Cb 0.73 -1.45 -0.09 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 -1.65 6.27 0.35 4.39 3.84 -0.16 -4.96 114.94 123.02 1mjg s ASN 24 Ca 0.30 0.07 0.25 0.00 0.21 0.00 0.00 52.86 53.69 1mjg s ASN 24 Cb 0.20 -2.23 0.58 0.00 -0.55 0.00 0.00 41.25 39.25 1mjg s ASN 24 CO 0.29 -0.33 1.69 0.08 -2.79 0.00 0.00 177.10 176.04 1mjg h ARG 25 N 8.33 0.00 -2.36 0.43 0.11 -1.86 -3.35 114.38 115.68 1mjg h ARG 25 Ca -0.30 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.27 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 1.40 -0.25 0.10 0.00 0.00 179.97 181.92 1mjg n ASP 26 N -2.75 7.01 -3.42 0.08 8.00 -1.26 -4.76 116.55 119.45 1mjg n ASP 26 Ca 0.04 -2.87 -0.39 0.00 0.71 0.00 0.00 54.79 52.28 1mjg n ASP 26 Cb 0.47 -1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.17 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 2.07 3.39 -3.48 -1.24 1.74 -1.26 -4.85 116.66 113.04 1mjg n ARG 27 Ca 0.57 -2.27 -0.12 0.00 -0.77 0.00 0.00 57.85 55.26 1mjg n ARG 27 Cb 0.51 -2.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.00 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 2.53 0.00 -0.37 0.55 -1.32 -1.26 -0.42 115.64 115.34 1mjg s THR 28 Ca 0.63 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.15 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 -0.06 0.00 1.10 1.33 -2.21 0.00 0.00 174.62 174.78 1mjg n VAL 29 N 0.04 1.01 -2.96 5.08 0.24 -0.94 -4.84 118.33 115.96 1mjg n VAL 29 Ca -0.15 -1.01 -0.42 0.00 -2.04 0.00 0.00 64.34 60.72 1mjg n VAL 29 Cb 0.62 0.49 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.01 6.53 0.22 -1.34 -1.08 -1.26 -4.95 116.67 113.78 1mjg s ASP 30 Ca 0.10 0.30 -0.09 0.00 -0.52 0.00 0.00 52.55 52.34 1mjg s ASP 30 Cb 0.05 -2.39 0.34 0.00 -1.46 0.00 0.00 42.92 39.46 1mjg s ASP 30 CO 0.06 -0.74 1.70 -0.65 0.52 0.00 0.00 175.17 176.06 1mjg h PRO 31 N 8.52 0.27 -0.89 4.34 0.11 -1.98 -1.35 132.00 141.02 1mjg h PRO 31 Ca -0.25 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.87 1mjg h PRO 31 Cb 1.09 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1mjg h PRO 31 CO 0.91 0.18 0.58 0.00 -0.21 0.00 0.00 178.00 179.46 1mjg h ALA 32 N 1.51 1.16 -0.50 -0.75 0.00 -1.94 -1.60 119.26 117.14 1mjg h ALA 32 Ca 0.34 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1mjg h ALA 32 Cb 0.52 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1mjg h ALA 32 CO -0.42 0.47 -0.09 0.28 0.00 0.00 0.00 179.25 179.49 1mjg h VAL 33 N 1.16 1.27 -0.62 0.00 2.07 -1.70 -1.60 116.25 116.82 1mjg h VAL 33 Ca 0.34 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1mjg h VAL 33 Cb -0.05 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1mjg h VAL 33 CO -0.10 0.43 0.40 -0.07 0.02 0.00 0.00 177.57 178.25 1mjg h LEU 34 N 0.80 0.69 -0.41 2.57 3.38 -0.87 0.11 115.31 121.57 1mjg h LEU 34 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1mjg h LEU 34 Cb 0.64 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1mjg h LEU 34 CO 0.04 0.49 0.22 -0.33 0.09 0.00 0.00 178.44 178.95 1mjg h GLU 35 N 0.82 0.58 -0.05 1.13 5.08 -1.11 -2.74 114.58 118.29 1mjg h GLU 35 Ca 0.23 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1mjg h GLU 35 Cb -0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1mjg h GLU 35 CO -0.06 0.48 -0.33 0.52 -1.00 0.00 0.00 179.01 178.62 1mjg h MET 36 N 0.53 0.10 0.00 2.33 2.86 -0.79 -2.04 114.93 117.92 1mjg h MET 36 Ca 0.14 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1mjg h MET 36 Cb 0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1mjg h MET 36 CO -0.02 0.43 -0.05 -0.07 1.06 0.00 0.00 176.91 178.26 1mjg h LEU 37 N 0.09 0.00 -0.18 1.22 -0.00 -0.49 0.87 115.31 116.83 1mjg h LEU 37 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.78 1mjg h LEU 37 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1mjg h LEU 37 CO 0.05 0.05 -0.31 0.58 -0.00 0.00 0.00 178.44 178.81 1mjg h VAL 38 N 0.00 1.34 -0.19 1.22 2.07 -1.28 -2.49 116.25 116.92 1mjg h VAL 38 Ca -0.00 -1.54 -0.16 0.00 0.82 0.00 0.00 66.70 65.82 1mjg h VAL 38 Cb 0.11 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1mjg h VAL 38 CO 0.01 0.47 -0.55 0.50 0.02 0.00 0.00 177.57 178.02 1mjg h LYS 39 N 0.17 0.56 -0.57 1.57 3.64 -1.25 -2.26 116.57 118.43 1mjg h LYS 39 Ca 0.01 -0.35 -0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1mjg h LYS 39 Cb 0.90 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1mjg h LYS 39 CO 0.07 0.96 0.01 0.66 -2.27 0.00 0.00 179.45 178.88 1mjg h SER 40 N 0.43 0.95 -0.68 4.20 4.64 -0.90 0.24 113.55 122.44 1mjg h SER 40 Ca 0.01 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 1mjg h SER 40 Cb 1.09 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1mjg h SER 40 CO 0.10 1.01 0.30 0.50 -0.87 0.00 0.00 176.83 177.87 1mjg h LYS 41 N 0.90 1.00 -0.42 4.77 3.64 -1.35 0.37 116.57 125.49 1mjg h LYS 41 Ca 0.17 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1mjg h LYS 41 Cb 0.52 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1mjg h LYS 41 CO 0.03 0.81 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.48 1mjg h ASP 42 N 0.96 0.82 0.00 4.20 5.19 -0.91 -2.48 116.42 124.20 1mjg h ASP 42 Ca 0.23 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1mjg h ASP 42 Cb 0.16 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1mjg h ASP 42 CO -0.02 0.99 0.00 0.47 -3.12 0.00 0.00 179.24 177.56 1mjg n ASP 43 N -4.31 0.00 -3.75 6.45 8.00 0.81 -4.87 116.55 118.88 1mjg n ASP 43 Ca -0.01 -1.04 -0.26 0.00 0.71 0.00 0.00 54.79 54.20 1mjg n ASP 43 Cb 0.37 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 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 -6.14 -4.05 -1.24 5.02 -0.48 -4.97 118.16 105.40 1mjg n LYS 44 Ca 0.16 0.68 -0.35 0.00 -2.02 0.00 0.00 58.31 56.79 1mjg n LYS 44 Cb 0.07 -5.56 -0.09 0.00 -0.02 0.00 0.00 35.03 29.43 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 -3.39 4.84 -0.05 -0.18 1.01 -0.00 -5.03 120.40 117.60 1mjg s VAL 45 Ca 0.45 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 1mjg s VAL 45 Cb -0.22 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1mjg s VAL 45 CO 0.79 0.51 0.61 -0.63 0.00 0.00 0.00 175.10 176.38 1mjg s ILE 46 N -0.10 5.01 0.40 2.22 1.01 -1.26 -4.55 121.20 123.92 1mjg s ILE 46 Ca 0.07 1.25 0.04 0.00 0.00 0.00 0.00 60.65 62.01 1mjg s ILE 46 Cb -0.12 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1mjg s ILE 46 CO 0.01 0.34 0.07 0.42 0.00 0.00 0.00 174.94 175.78 1mjg s THR 47 N 0.30 1.08 0.53 2.92 -4.23 -1.26 -4.92 115.64 110.05 1mjg s THR 47 Ca 0.32 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.07 1mjg s THR 47 Cb -0.17 -2.56 0.38 0.00 1.34 0.00 0.00 72.50 71.49 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 1.83 2.45 -0.47 3.99 0.00 -1.98 -0.18 119.26 124.91 1mjg h ALA 48 Ca -0.40 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1mjg h ALA 48 Cb 1.27 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1mjg h ALA 48 CO 0.67 -0.59 -0.14 0.74 0.00 0.00 0.00 179.25 179.94 1mjg h PHE 49 N 0.00 0.98 -0.13 0.00 -1.00 -1.88 -0.56 116.94 114.36 1mjg h PHE 49 Ca 0.23 -0.20 -0.20 0.00 2.81 0.00 0.00 57.97 60.61 1mjg h PHE 49 Cb 0.91 -0.24 0.01 0.00 3.61 0.00 0.00 35.95 40.24 1mjg h PHE 49 CO -0.00 0.95 -0.69 -0.44 -1.61 0.00 0.00 178.31 176.52 1mjg h ASP 50 N 0.79 0.83 -0.56 2.17 3.32 -1.39 -3.01 116.42 118.57 1mjg h ASP 50 Ca 0.12 -0.64 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 1mjg h ASP 50 Cb 0.66 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1mjg h ASP 50 CO 0.05 1.34 0.22 0.03 -1.72 0.00 0.00 179.24 179.16 1mjg h ARG 51 N 0.39 0.89 -0.10 3.56 3.08 -1.08 -1.34 114.38 119.78 1mjg h ARG 51 Ca -0.05 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1mjg h ARG 51 Cb 1.33 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1mjg h ARG 51 CO 0.14 0.74 0.06 0.35 -1.07 0.00 0.00 179.97 180.19 1mjg h PHE 52 N 0.87 0.11 -0.59 3.04 3.57 -1.07 -2.18 116.94 120.70 1mjg h PHE 52 Ca 0.20 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1mjg h PHE 52 Cb 0.20 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1mjg h PHE 52 CO 0.01 0.07 0.38 0.28 -2.23 0.00 0.00 178.31 176.82 1mjg h VAL 53 N 0.12 1.12 0.00 1.41 2.07 -1.34 -2.14 116.25 117.50 1mjg h VAL 53 Ca 0.04 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1mjg h VAL 53 Cb -0.01 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1mjg h VAL 53 CO -0.01 0.14 -0.01 0.00 0.02 0.00 0.00 177.57 177.70 1mjg h ALA 54 N 1.23 1.62 0.00 1.67 0.00 -0.93 -2.22 119.26 120.64 1mjg h ALA 54 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1mjg h ALA 54 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mjg h ALA 54 CO -0.07 0.02 0.00 1.96 0.00 0.00 0.00 179.25 181.16 1mjg h GLN 55 N 0.00 0.00 -6.69 0.00 1.08 -0.75 -3.46 115.11 105.28 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 0.03 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.50 1mjg h GLN 55 CO 0.00 0.00 0.68 -0.65 -0.95 0.00 0.00 178.83 177.92 1mjg s GLN 56 N -3.21 4.35 0.16 1.46 -1.52 -0.84 -3.45 119.66 116.62 1mjg s GLN 56 Ca 0.07 2.13 -0.14 0.00 -1.95 0.00 0.00 55.36 55.47 1mjg s GLN 56 Cb 0.06 -3.17 -0.07 0.00 -0.22 0.00 0.00 33.01 29.60 1mjg s GLN 56 CO 0.66 -0.31 0.56 -1.25 -0.25 0.00 0.00 175.29 174.71 1mjg s PRO 57 N -0.16 3.98 0.22 2.91 0.04 -1.26 -5.08 135.00 135.65 1mjg s PRO 57 Ca 0.58 0.49 -0.16 0.00 0.04 0.00 0.00 61.00 61.94 1mjg s PRO 57 Cb -0.38 -2.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 1mjg s PRO 57 CO 0.39 0.46 0.67 -0.65 0.04 0.00 0.00 177.00 177.90 1mjg s GLN 58 N -2.05 4.09 -0.27 4.56 -0.21 -1.22 -4.97 119.66 119.58 1mjg s GLN 58 Ca 0.39 0.68 -0.38 0.00 0.02 0.00 0.00 55.36 56.07 1mjg s GLN 58 Cb -0.15 -2.78 -0.14 0.00 1.00 0.00 0.00 33.01 30.94 1mjg s GLN 58 CO 0.19 0.36 1.91 0.00 -2.12 0.00 0.00 175.29 175.63 1mjg h LYS 60 N 9.07 0.73 -0.10 0.00 3.64 -1.98 -1.14 116.57 126.79 1mjg h LYS 60 Ca -0.40 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1mjg h LYS 60 Cb 1.31 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1mjg h LYS 60 CO 0.98 0.91 0.06 0.82 -2.27 0.00 0.00 179.45 179.95 1mjg h ILE 61 N 0.63 1.08 -0.46 2.00 2.04 -1.98 -0.81 117.51 119.99 1mjg h ILE 61 Ca 0.08 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 1mjg h ILE 61 Cb 0.77 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1mjg h ILE 61 CO 0.06 0.07 -0.09 1.23 0.00 0.00 0.00 178.15 179.42 1mjg h GLY 62 N 0.08 0.90 1.38 5.37 0.00 -1.92 -2.64 103.07 106.24 1mjg h GLY 62 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 47.33 46.71 1mjg h GLY 62 CO -0.01 0.63 0.36 -1.82 0.00 0.00 0.00 176.54 175.70 1mjg h TYR 63 N 0.76 0.60 -0.01 5.60 3.20 -0.83 -1.52 116.97 124.77 1mjg h TYR 63 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1mjg h TYR 63 Cb 0.59 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1mjg h TYR 63 CO 0.03 0.36 -0.06 0.39 -1.64 0.00 0.00 178.16 177.24 1mjg n GLU 64 N -4.47 1.44 -1.07 1.82 1.02 -0.34 -4.01 120.64 115.03 1mjg n GLU 64 Ca 0.06 -0.82 -0.02 0.00 -0.02 0.00 0.00 57.16 56.36 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 1.21 0.57 1.91 0.62 0.00 -0.57 -0.77 105.19 108.17 1mjg n GLY 65 Ca 0.17 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.84 2.92 -4.44 -0.61 -5.35 -1.09 -3.41 119.36 104.54 1mjg n ILE 66 Ca -0.02 -1.79 -0.33 0.00 -0.27 0.00 0.00 62.75 60.34 1mjg n ILE 66 Cb 0.12 -0.37 -0.16 0.00 -1.74 0.00 0.00 39.64 37.49 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 3.21 1.81 0.00 0.00 1.74 -1.26 -1.57 116.66 120.59 1mjg n ARG 69 Ca -0.18 -3.34 0.15 0.00 -0.77 0.00 0.00 57.85 53.71 1mjg n ARG 69 Cb 0.53 -1.44 0.80 0.00 -1.02 0.00 0.00 32.46 31.32 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 -0.46 0.00 -3.86 -1.55 3.01 -1.26 -4.87 117.46 108.47 1mjg n PHE 70 Ca 0.17 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.54 1mjg n PHE 70 Cb 0.90 -0.21 -0.04 0.00 -0.01 0.00 0.00 39.48 40.11 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 -0.35 0.68 0.15 0.00 2.81 -1.26 -2.60 117.12 116.55 1mjg n MET 72 Ca -0.07 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.95 1mjg n MET 72 Cb 0.62 -1.37 0.19 0.00 -0.71 0.00 0.00 33.22 31.95 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 3.09 0.84 -3.05 3.04 0.00 -1.98 -3.46 119.26 117.74 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 1.20 -0.02 3.77 0.00 0.00 -1.07 -4.84 105.19 104.22 1mjg n GLY 74 Ca 0.03 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 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 0.27 3.79 0.16 1.61 0.02 -1.26 -5.07 135.00 134.51 1mjg s PRO 75 Ca 0.00 2.08 0.11 0.00 0.02 0.00 0.00 61.00 63.21 1mjg s PRO 75 Cb 0.00 -2.60 -0.04 0.00 0.02 0.00 0.00 34.50 31.88 1mjg s PRO 75 CO 0.00 -0.62 -0.22 0.00 -0.33 0.00 0.00 177.00 175.83 1mjg s ARG 77 N -2.45 0.32 -0.24 0.00 1.70 -1.26 -0.64 118.95 116.36 1mjg s ARG 77 Ca 0.19 0.08 -0.29 0.00 -0.47 0.00 0.00 55.73 55.24 1mjg s ARG 77 Cb -0.09 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.43 1mjg s ARG 77 CO 0.10 -0.06 1.34 0.42 -1.08 0.00 0.00 175.30 176.02 1mjg s ILE 78 N -0.34 4.11 -0.07 4.99 -1.09 -0.87 -4.87 121.20 123.07 1mjg s ILE 78 Ca -0.04 1.28 0.22 0.00 -2.23 0.00 0.00 60.65 59.88 1mjg s ILE 78 Cb -0.03 -4.04 -0.32 0.00 -1.58 0.00 0.00 42.46 36.50 1mjg s ILE 78 CO 0.01 -0.34 0.52 0.29 -1.23 0.00 0.00 174.94 174.19 1mjg n LYS 79 N 7.15 0.64 -3.89 2.79 5.02 -0.19 -5.03 118.16 124.65 1mjg n LYS 79 Ca 0.15 -0.18 -0.08 0.00 -2.02 0.00 0.00 58.31 56.18 1mjg n LYS 79 Cb 0.46 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 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 -3.50 -0.78 -0.49 7.82 0.00 -1.18 -4.99 121.76 118.64 1mjg s ALA 80 Ca -0.07 -0.61 0.24 0.00 0.00 0.00 0.00 51.96 51.52 1mjg s ALA 80 Cb 0.14 0.87 0.38 0.00 0.00 0.00 0.00 23.12 24.50 1mjg s ALA 80 CO 0.90 -0.98 1.51 1.79 0.00 0.00 0.00 175.76 178.98 1mjg h THR 81 N 2.06 0.00 -3.89 0.00 1.35 -1.91 -3.34 112.91 107.16 1mjg h THR 81 Ca -0.24 -0.83 -0.14 0.00 -0.55 0.00 0.00 66.41 64.65 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 0.31 0.00 -0.21 1.51 -0.25 0.00 0.00 175.52 176.88 1mjg s ASP 82 N -5.47 0.19 0.00 5.36 -4.77 -1.26 -4.88 116.67 105.84 1mjg s ASP 82 Ca 0.06 -1.14 0.00 0.00 -3.30 0.00 0.00 52.55 48.17 1mjg s ASP 82 Cb 0.08 0.58 0.00 0.00 -1.09 0.00 0.00 42.92 42.49 1mjg s ASP 82 CO 0.68 -1.14 0.00 0.61 0.70 0.00 0.00 175.17 176.02 1mjg n GLY 83 N -0.41 -0.32 0.08 2.12 0.00 -1.26 -4.14 105.19 101.26 1mjg n GLY 83 Ca -0.01 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.36 0.06 -0.29 1.61 -0.04 -1.26 -1.71 135.00 133.01 1mjg n PRO 84 Ca 0.00 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.09 1mjg n PRO 84 Cb 0.00 -1.76 0.24 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.38 2.66 0.56 0.55 0.00 -1.26 -4.43 105.19 101.89 1mjg n GLY 85 Ca -0.01 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 1.07 1.73 -4.08 1.61 3.41 -0.70 -1.02 113.62 115.64 1mjg n SER 86 Ca 0.18 -1.63 -0.10 0.00 -0.26 0.00 0.00 58.87 57.07 1mjg n SER 86 Cb 0.54 -0.05 -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 -1.90 1.04 1.02 4.33 0.52 -1.26 -4.43 118.95 118.26 1mjg s ARG 87 Ca 0.35 -1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 54.07 1mjg s ARG 87 Cb 0.20 0.30 0.20 0.00 0.52 0.00 0.00 34.95 36.16 1mjg s ARG 87 CO 0.31 -0.34 1.14 0.20 0.02 0.00 0.00 175.30 176.63 1mjg s GLY 88 N -3.02 1.60 0.26 -3.53 0.00 -0.13 -4.84 107.32 97.65 1mjg s GLY 88 Ca 0.22 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 44.21 1mjg s GLY 88 CO 0.02 -0.01 1.89 -2.22 0.00 0.00 0.00 173.10 172.79 1mjg h ILE 89 N -1.91 1.14 0.00 0.90 2.04 -1.94 0.67 117.51 118.42 1mjg h ILE 89 Ca -0.49 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1mjg h ILE 89 Cb 1.31 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1mjg h ILE 89 CO 0.51 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.88 1mjg n GLY 91 N 0.53 0.38 3.67 0.00 0.00 0.23 -4.92 105.19 105.08 1mjg n GLY 91 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.87 1.19 -1.65 4.61 0.00 -1.26 -4.51 120.51 117.03 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 -2.31 0.09 0.00 0.00 0.00 0.00 19.45 17.23 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 -0.96 113.70 116.93 1mjg s SER 93 Ca 0.74 1.19 -0.05 0.00 1.31 0.00 0.00 55.95 59.13 1mjg s SER 93 Cb -0.67 -1.90 0.30 0.00 0.21 0.00 0.00 66.02 63.96 1mjg s SER 93 CO 0.44 -1.90 1.94 0.00 0.41 0.00 0.00 173.24 174.13 1mjg h ALA 94 N -1.04 1.31 -0.24 1.44 0.00 -1.94 -1.90 119.26 116.89 1mjg h ALA 94 Ca -0.47 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1mjg h ALA 94 Cb 1.28 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1mjg h ALA 94 CO 0.61 0.64 -0.07 0.11 0.00 0.00 0.00 179.25 180.54 1mjg h TRP 95 N 1.31 0.39 -0.29 0.00 0.09 -1.93 -1.42 115.95 114.11 1mjg h TRP 95 Ca 0.36 -0.04 -0.12 0.00 0.09 0.00 0.00 58.89 59.18 1mjg h TRP 95 Cb -0.15 -0.11 -0.00 0.00 0.08 0.00 0.00 29.16 28.98 1mjg h TRP 95 CO -0.00 0.45 -0.27 1.15 0.09 0.00 0.00 178.44 179.86 1mjg h THR 96 N 0.36 1.30 -0.75 0.12 2.02 -1.69 -0.12 112.91 114.15 1mjg h THR 96 Ca 0.07 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 65.77 1mjg h THR 96 Cb 0.35 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1mjg h THR 96 CO 0.02 0.46 0.26 0.40 0.37 0.00 0.00 175.52 177.03 1mjg h ILE 97 N 0.44 1.26 -0.35 3.11 2.04 -1.10 0.01 117.51 122.93 1mjg h ILE 97 Ca 0.05 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 1mjg h ILE 97 Cb 0.84 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1mjg h ILE 97 CO 0.07 0.35 -0.07 0.58 0.00 0.00 0.00 178.15 179.07 1mjg h VAL 98 N 1.10 1.28 -0.80 1.67 2.07 -1.19 -1.91 116.25 118.47 1mjg h VAL 98 Ca 0.25 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1mjg h VAL 98 Cb 0.27 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1mjg h VAL 98 CO -0.01 0.37 0.51 0.00 0.02 0.00 0.00 177.57 178.45 1mjg h ALA 99 N 0.82 1.06 -0.31 1.67 0.00 -0.64 -0.81 119.26 121.05 1mjg h ALA 99 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 99 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1mjg h ALA 99 CO 0.03 0.32 0.19 0.00 0.00 0.00 0.00 179.25 179.79 1mjg h ARG 100 N 0.99 0.43 -0.16 0.00 3.08 -0.81 0.26 114.38 118.17 1mjg h ARG 100 Ca 0.32 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1mjg h ARG 100 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1mjg h ARG 100 CO -0.12 0.33 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.19 1mjg h ASN 101 N 0.40 0.29 0.48 7.04 2.35 -0.75 0.19 115.58 125.58 1mjg h ASN 101 Ca 0.11 -0.32 -0.15 0.00 -0.55 0.00 0.00 56.30 55.39 1mjg h ASN 101 Cb 0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1mjg h ASN 101 CO -0.02 0.54 -0.64 1.62 -1.65 0.00 0.00 177.43 177.28 1mjg h VAL 102 N 0.03 1.42 -0.47 2.81 3.04 -1.20 -2.92 116.25 118.96 1mjg h VAL 102 Ca 0.04 -2.11 -0.05 0.00 -1.01 0.00 0.00 66.70 63.58 1mjg h VAL 102 Cb 0.40 2.11 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 1mjg h VAL 102 CO 0.01 0.61 0.10 1.23 -1.01 0.00 0.00 177.57 178.51 1mjg h GLY 103 N 1.67 0.77 0.99 3.17 0.00 -0.26 -1.67 103.07 107.73 1mjg h GLY 103 Ca -0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1mjg h GLY 103 CO 0.09 0.41 0.29 -2.00 0.00 0.00 0.00 176.54 175.33 1mjg h LEU 104 N 0.69 0.56 -0.31 3.11 5.85 -0.43 0.12 115.31 124.89 1mjg h LEU 104 Ca 0.15 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1mjg h LEU 104 Cb 0.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1mjg h LEU 104 CO -0.00 0.44 0.10 0.24 -0.34 0.00 0.00 178.44 178.88 1mjg h MET 105 N 0.62 0.47 -0.92 1.25 2.86 -1.43 -1.93 114.93 115.86 1mjg h MET 105 Ca 0.17 -0.10 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1mjg h MET 105 Cb -0.02 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.51 1mjg h MET 105 CO -0.03 0.52 0.57 0.82 1.06 0.00 0.00 176.91 179.85 1mjg h ILE 106 N 0.34 1.02 -0.28 -1.22 2.04 -0.95 -2.09 117.51 116.36 1mjg h ILE 106 Ca 0.10 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1mjg h ILE 106 Cb 0.24 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1mjg h ILE 106 CO -0.00 0.18 0.15 -0.07 0.00 0.00 0.00 178.15 178.42 1mjg h LEU 107 N 1.01 0.35 -1.25 1.44 3.38 -0.35 -0.38 115.31 119.51 1mjg h LEU 107 Ca 0.41 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1mjg h LEU 107 Cb 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1mjg h LEU 107 CO -0.19 0.34 0.09 0.71 0.09 0.00 0.00 178.44 179.48 1mjg h THR 108 N 0.34 1.19 -0.10 0.22 1.35 -0.95 0.12 112.91 115.08 1mjg h THR 108 Ca 0.10 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1mjg h THR 108 Cb 0.06 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1mjg h THR 108 CO -0.02 0.24 -0.03 1.23 -0.25 0.00 0.00 175.52 176.69 1mjg h GLY 109 N 0.82 0.22 1.00 5.82 0.00 -1.04 -0.98 103.07 108.91 1mjg h GLY 109 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1mjg h GLY 109 CO -0.00 0.17 0.31 0.00 0.00 0.00 0.00 176.54 177.02 1mjg h ALA 110 N 0.67 0.63 -0.41 3.60 0.00 -0.75 -1.05 119.26 121.95 1mjg h ALA 110 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1mjg h ALA 110 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1mjg h ALA 110 CO 0.01 0.09 0.04 0.00 0.00 0.00 0.00 179.25 179.39 1mjg h ALA 111 N 1.16 1.31 -0.05 0.00 0.00 -0.73 0.20 119.26 121.15 1mjg h ALA 111 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1mjg h ALA 111 Cb -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1mjg h ALA 111 CO -0.04 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 1mjg h ALA 112 N 1.44 0.07 -0.36 0.00 0.00 -0.71 -1.00 119.26 118.71 1mjg h ALA 112 Ca 0.13 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1mjg h ALA 112 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1mjg h ALA 112 CO 0.01 -0.19 -0.07 0.45 0.00 0.00 0.00 179.25 179.45 1mjg h HIS 113 N -0.30 0.63 -0.37 0.00 3.86 -1.03 -2.28 115.15 115.67 1mjg h HIS 113 Ca 0.01 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1mjg h HIS 113 Cb 0.47 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1mjg h HIS 113 CO 0.07 0.66 0.17 0.00 0.86 0.00 0.00 177.93 179.69 1mjg h GLU 115 N 0.46 0.94 0.14 0.00 4.22 -0.97 0.11 114.58 119.48 1mjg h GLU 115 Ca 0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1mjg h GLU 115 Cb 0.14 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mjg h GLU 115 CO -0.01 0.83 -0.07 1.25 -2.18 0.00 0.00 179.01 178.82 1mjg h HIS 116 N 0.91 -0.18 -0.68 0.92 2.76 -1.08 0.77 115.15 118.57 1mjg h HIS 116 Ca 0.20 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1mjg h HIS 116 Cb 0.29 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 1mjg h HIS 116 CO 0.02 0.01 0.13 0.78 -1.30 0.00 0.00 177.93 177.57 1mjg h GLY 117 N -0.34 1.18 1.01 5.26 0.00 -0.89 -2.09 103.07 107.21 1mjg h GLY 117 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.48 1mjg h GLY 117 CO 0.03 0.71 0.09 -0.57 0.00 0.00 0.00 176.54 176.80 1mjg h ASN 118 N 1.03 0.88 -0.23 0.19 -0.00 -0.70 -0.87 115.58 115.88 1mjg h ASN 118 Ca 0.21 -0.26 -0.00 0.00 -0.00 0.00 0.00 56.30 56.25 1mjg h ASN 118 Cb 0.41 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.48 1mjg h ASN 118 CO 0.01 0.92 0.14 -0.74 -0.00 0.00 0.00 177.43 177.75 1mjg h HIS 119 N 0.81 0.31 -0.27 0.67 2.76 -0.66 -0.68 115.15 118.10 1mjg h HIS 119 Ca 0.17 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.21 1mjg h HIS 119 Cb 0.41 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1mjg h HIS 119 CO 0.03 0.25 -0.36 0.82 -1.30 0.00 0.00 177.93 177.37 1mjg h ILE 120 N 0.28 1.29 -0.63 6.26 2.04 -1.26 -1.08 117.51 124.42 1mjg h ILE 120 Ca 0.08 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.41 1mjg h ILE 120 Cb 0.04 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1mjg h ILE 120 CO -0.01 0.48 0.29 0.00 0.00 0.00 0.00 178.15 178.91 1mjg h ALA 121 N 1.10 0.81 -0.50 1.87 0.00 -0.95 0.19 119.26 121.78 1mjg h ALA 121 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mjg h ALA 121 Cb 0.86 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1mjg h ALA 121 CO 0.07 0.38 0.31 1.25 0.00 0.00 0.00 179.25 181.26 1mjg h HIS 122 N 0.86 0.65 -0.80 0.00 -0.00 -0.86 -2.48 115.15 112.52 1mjg h HIS 122 Ca 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1mjg h HIS 122 Cb 0.13 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 1mjg h HIS 122 CO 0.00 0.45 0.37 0.00 -0.00 0.00 0.00 177.93 178.75 1mjg h ALA 123 N 1.15 1.03 -0.77 5.26 0.00 -0.59 -1.14 119.26 124.20 1mjg h ALA 123 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1mjg h ALA 123 Cb -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1mjg h ALA 123 CO -0.03 0.61 0.51 1.25 0.00 0.00 0.00 179.25 181.59 1mjg h LEU 124 N 1.14 0.88 -0.25 0.00 5.85 -0.64 0.14 115.31 122.43 1mjg h LEU 124 Ca 0.27 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1mjg h LEU 124 Cb 0.14 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1mjg h LEU 124 CO -0.03 0.64 -0.12 0.58 -0.34 0.00 0.00 178.44 179.17 1mjg h VAL 125 N 1.04 1.30 -0.61 1.05 2.07 -1.16 -0.58 116.25 119.37 1mjg h VAL 125 Ca 0.28 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1mjg h VAL 125 Cb -0.12 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1mjg h VAL 125 CO -0.06 0.37 0.35 -0.33 0.02 0.00 0.00 177.57 177.92 1mjg h GLU 126 N 0.24 0.64 0.09 1.57 4.39 -0.91 -0.23 114.58 120.38 1mjg h GLU 126 Ca 0.06 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1mjg h GLU 126 Cb 0.62 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1mjg h GLU 126 CO 0.04 0.43 -0.10 1.98 -1.16 0.00 0.00 179.01 180.20 1mjg h MET 127 N 0.66 -0.20 -0.03 2.33 4.05 -0.83 -0.28 114.93 120.62 1mjg h MET 127 Ca 0.26 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.70 1mjg h MET 127 Cb 0.11 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1mjg h MET 127 CO -0.14 -0.13 0.03 0.00 0.23 0.00 0.00 176.91 176.89 1mjg h ALA 128 N 0.69 1.68 -0.46 0.39 0.00 -0.43 -0.96 119.26 120.16 1mjg h ALA 128 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 128 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1mjg h ALA 128 CO -0.03 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1mjg n GLU 129 N -4.00 2.75 -1.66 0.00 1.02 -0.16 -4.87 120.64 113.73 1mjg n GLU 129 Ca -0.02 -1.95 -0.10 0.00 -0.02 0.00 0.00 57.16 55.07 1mjg n GLU 129 Cb 0.12 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 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 0.97 0.67 0.72 0.62 0.00 -0.36 -4.92 105.19 102.89 1mjg n GLY 130 Ca 0.18 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.41 2.04 -3.07 1.61 5.02 -0.17 -4.69 118.16 116.50 1mjg n LYS 131 Ca -0.11 -1.84 -0.19 0.00 -2.02 0.00 0.00 58.31 54.14 1mjg n LYS 131 Cb 0.44 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 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 0.81 1.37 0.30 7.82 0.00 -1.23 -4.21 120.51 125.38 1mjg n ALA 132 Ca 0.12 -2.86 0.16 0.00 0.00 0.00 0.00 53.44 50.87 1mjg n ALA 132 Cb 0.43 -0.96 0.83 0.00 0.00 0.00 0.00 19.45 19.75 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 3.96 0.00 0.00 0.00 0.13 -1.85 -1.55 132.00 132.69 1mjg h PRO 133 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 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 0.00 -0.25 -0.23 0.00 0.00 178.00 177.94 1mjg n ASP 134 N -3.03 0.00 -4.61 1.44 8.00 -1.26 -4.82 116.55 112.27 1mjg n ASP 134 Ca -0.01 -0.36 -0.27 0.00 0.71 0.00 0.00 54.79 54.86 1mjg n ASP 134 Cb 0.39 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.42 2.50 0.06 1.24 1.51 -0.58 -5.03 117.35 114.63 1mjg s TYR 135 Ca 0.33 -0.59 -0.26 0.00 -1.01 0.00 0.00 57.07 55.54 1mjg s TYR 135 Cb 0.21 -1.65 0.09 0.00 -0.11 0.00 0.00 41.96 40.50 1mjg s TYR 135 CO 0.43 0.47 1.18 -1.54 -1.11 0.00 0.00 175.55 174.98 1mjg s SER 136 N -3.70 -0.02 -0.50 2.29 1.04 -1.26 -4.98 113.70 106.56 1mjg s SER 136 Ca 0.35 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 56.19 1mjg s SER 136 Cb 0.06 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1mjg s SER 136 CO 0.18 -0.57 0.83 -0.69 0.98 0.00 0.00 173.24 173.97 1mjg s VAL 137 N -2.24 4.57 -0.56 5.02 1.01 -1.26 -4.40 120.40 122.53 1mjg s VAL 137 Ca 0.23 0.21 0.23 0.00 0.00 0.00 0.00 61.98 62.64 1mjg s VAL 137 Cb -0.00 -4.42 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 1mjg s VAL 137 CO 0.01 -0.91 1.05 0.29 0.00 0.00 0.00 175.10 175.53 1mjg n LYS 138 N 6.96 0.33 -3.61 2.72 5.02 -0.14 -4.64 118.16 124.79 1mjg n LYS 138 Ca 0.01 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 1mjg n LYS 138 Cb 0.47 -1.62 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 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 -4.09 3.07 0.28 4.39 3.68 -0.99 -4.71 116.67 118.30 1mjg s ASP 139 Ca 0.03 -2.95 -0.03 0.00 2.13 0.00 0.00 52.55 51.74 1mjg s ASP 139 Cb 0.14 -0.88 0.38 0.00 -1.45 0.00 0.00 42.92 41.12 1mjg s ASP 139 CO 0.79 -0.21 1.88 -0.33 0.13 0.00 0.00 175.17 177.44 1mjg h GLU 140 N 6.16 0.99 -0.64 4.34 5.08 -1.86 -2.02 114.58 126.63 1mjg h GLU 140 Ca 0.12 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1mjg h GLU 140 Cb 0.89 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1mjg h GLU 140 CO 0.46 0.77 0.33 0.00 -1.00 0.00 0.00 179.01 179.57 1mjg h ALA 141 N 1.37 0.82 -0.56 3.43 0.00 -1.99 -0.84 119.26 121.50 1mjg h ALA 141 Ca 0.24 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 141 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1mjg h ALA 141 CO -0.03 0.36 0.15 -0.22 0.00 0.00 0.00 179.25 179.52 1mjg h LYS 142 N 0.87 0.88 0.03 0.00 1.63 -1.88 -0.80 116.57 117.31 1mjg h LYS 142 Ca 0.22 -0.20 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1mjg h LYS 142 Cb 0.09 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1mjg h LYS 142 CO -0.03 0.81 -0.08 1.25 -3.45 0.00 0.00 179.45 177.95 1mjg h LEU 143 N 0.79 -0.23 -1.28 5.20 5.85 -0.90 -0.12 115.31 124.60 1mjg h LEU 143 Ca 0.18 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1mjg h LEU 143 Cb 0.31 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1mjg h LEU 143 CO -0.00 -0.13 -0.13 0.11 -0.34 0.00 0.00 178.44 177.95 1mjg h LYS 144 N -0.16 0.32 -0.30 1.25 1.57 -1.05 -0.52 116.57 117.68 1mjg h LYS 144 Ca 0.02 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1mjg h LYS 144 Cb 0.18 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1mjg h LYS 144 CO -0.06 0.46 -0.17 1.49 -0.57 0.00 0.00 179.45 180.61 1mjg h GLU 145 N 0.30 0.64 -0.57 3.15 4.57 -0.68 -1.32 114.58 120.67 1mjg h GLU 145 Ca 0.06 -0.29 -0.11 0.00 -1.18 0.00 0.00 59.36 57.84 1mjg h GLU 145 Cb 0.43 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1mjg h GLU 145 CO 0.02 0.88 -0.06 0.28 -1.18 0.00 0.00 179.01 178.96 1mjg h VAL 146 N 0.39 1.27 -0.37 0.32 2.07 -0.74 -1.05 116.25 118.14 1mjg h VAL 146 Ca 0.06 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1mjg h VAL 146 Cb 0.70 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1mjg h VAL 146 CO 0.05 0.43 0.22 0.00 0.02 0.00 0.00 177.57 178.29 1mjg h ARG 148 N 0.45 0.56 -0.32 0.00 2.43 -1.01 0.24 114.38 116.73 1mjg h ARG 148 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1mjg h ARG 148 Cb -0.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1mjg h ARG 148 CO -0.06 0.37 0.13 -0.09 -1.51 0.00 0.00 179.97 178.81 1mjg h ARG 149 N 0.58 0.45 -0.04 0.20 2.43 -0.79 -2.04 114.38 115.16 1mjg h ARG 149 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1mjg h ARG 149 Cb -0.05 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1mjg h ARG 149 CO -0.05 0.37 0.00 0.28 -1.51 0.00 0.00 179.97 179.07 1mjg n VAL 150 N -4.41 0.04 -0.56 0.20 0.31 -0.60 -4.89 118.33 108.42 1mjg n VAL 150 Ca 0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1mjg n VAL 150 Cb 0.13 0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 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 1.17 0.71 3.71 2.92 0.00 -0.75 -5.04 105.19 107.91 1mjg n GLY 151 Ca 0.18 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 4.95 -0.18 -0.61 1.01 0.76 -4.99 121.20 120.14 1mjg s ILE 152 Ca 0.00 1.74 -0.29 0.00 0.00 0.00 0.00 60.65 62.10 1mjg s ILE 152 Cb 0.00 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1mjg s ILE 152 CO 0.00 0.19 1.32 -0.70 0.00 0.00 0.00 174.94 175.75 1mjg s GLU 153 N 1.02 4.16 0.11 2.79 -6.30 -1.26 -4.02 118.70 115.19 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 -3.82 -0.12 0.00 0.00 0.00 0.00 34.13 30.00 1mjg s GLU 153 CO 0.22 -0.81 1.05 0.28 0.02 0.00 0.00 175.26 176.02 1mjg h VAL 154 N 5.60 0.95 -3.29 3.70 2.07 -1.94 -3.46 116.25 119.88 1mjg h VAL 154 Ca -0.28 -2.53 -0.54 0.00 0.82 0.00 0.00 66.70 64.17 1mjg h VAL 154 Cb 1.11 2.40 0.09 0.00 -1.52 0.00 0.00 31.29 33.37 1mjg h VAL 154 CO 0.98 0.54 0.83 -0.62 0.02 0.00 0.00 177.57 179.32 1mjg n GLU 155 N -3.11 2.61 -0.93 1.57 1.02 -1.26 -2.82 120.64 117.71 1mjg n GLU 155 Ca -0.06 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1mjg n GLU 155 Cb 0.88 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 1mjg n GLU 155 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjg n GLY 156 N 1.92 0.26 3.75 0.62 0.00 -1.26 -5.00 105.19 105.48 1mjg n GLY 156 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.03 2.88 0.75 1.61 1.02 -1.13 -5.11 119.74 118.73 1mjg s LYS 157 Ca 0.00 -0.64 -0.11 0.00 0.02 0.00 0.00 55.97 55.24 1mjg s LYS 157 Cb 0.00 -2.74 0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1mjg s LYS 157 CO 0.00 0.59 1.13 -1.54 -0.92 0.00 0.00 175.35 174.61 1mjg s SER 158 N -2.07 5.02 0.14 2.83 1.04 -1.26 -4.90 113.70 114.49 1mjg s SER 158 Ca 0.26 0.95 -0.15 0.00 0.48 0.00 0.00 55.95 57.48 1mjg s SER 158 Cb -0.12 -1.61 0.01 0.00 0.10 0.00 0.00 66.02 64.40 1mjg s SER 158 CO 0.18 -1.59 1.71 -0.37 0.98 0.00 0.00 173.24 174.15 1mjg h VAL 159 N -0.82 1.18 -0.76 5.02 -1.51 -1.99 -1.99 116.25 115.38 1mjg h VAL 159 Ca -0.45 -0.53 -0.02 0.00 -1.23 0.00 0.00 66.70 64.46 1mjg h VAL 159 Cb 1.29 0.75 -0.04 0.00 -2.13 0.00 0.00 31.29 31.16 1mjg h VAL 159 CO 0.65 0.20 0.39 -0.07 -1.23 0.00 0.00 177.57 177.51 1mjg h LEU 160 N 0.55 0.96 -0.86 4.19 3.38 -1.94 0.19 115.31 121.78 1mjg h LEU 160 Ca 0.15 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1mjg h LEU 160 Cb 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1mjg h LEU 160 CO -0.02 0.79 0.31 -0.33 0.09 0.00 0.00 178.44 179.28 1mjg h GLU 161 N 1.07 1.14 -0.39 1.13 5.08 -1.83 -0.52 114.58 120.26 1mjg h GLU 161 Ca 0.27 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1mjg h GLU 161 Cb 0.06 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1mjg h GLU 161 CO -0.04 0.92 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.76 1mjg h LEU 162 N 1.11 0.73 -0.76 1.33 3.38 -0.60 -0.72 115.31 119.79 1mjg h LEU 162 Ca 0.26 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1mjg h LEU 162 Cb 0.21 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1mjg h LEU 162 CO -0.02 0.90 0.50 0.00 0.09 0.00 0.00 178.44 179.91 1mjg h ALA 163 N 0.85 0.96 -0.51 1.53 0.00 -0.65 -0.30 119.26 121.15 1mjg h ALA 163 Ca 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 163 Cb 0.57 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1mjg h ALA 163 CO 0.03 0.37 0.09 0.37 0.00 0.00 0.00 179.25 180.11 1mjg h GLN 164 N 1.02 0.83 -0.36 0.00 4.15 -0.92 -1.64 115.11 118.19 1mjg h GLN 164 Ca 0.28 -0.22 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 1mjg h GLN 164 Cb -0.11 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1mjg h GLN 164 CO -0.07 0.82 -0.11 1.49 -1.93 0.00 0.00 178.83 179.03 1mjg h GLU 165 N 0.71 0.70 -0.20 1.69 4.81 -0.60 -1.61 114.58 120.08 1mjg h GLU 165 Ca 0.15 -0.28 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1mjg h GLU 165 Cb 0.38 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1mjg h GLU 165 CO 0.01 0.87 -0.44 -0.39 -0.73 0.00 0.00 179.01 178.33 1mjg h VAL 166 N 0.49 1.31 0.06 0.32 -1.51 -1.07 -1.27 116.25 114.58 1mjg h VAL 166 Ca 0.09 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.94 1mjg h VAL 166 Cb 0.63 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1mjg h VAL 166 CO 0.04 0.50 -0.07 1.23 -1.23 0.00 0.00 177.57 178.05 1mjg h GLY 167 N 1.11 -0.13 1.61 5.19 0.00 -1.19 -0.40 103.07 109.25 1mjg h GLY 167 Ca 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1mjg h GLY 167 CO 0.08 -0.07 0.06 0.83 0.00 0.00 0.00 176.54 177.44 1mjg h GLU 168 N -0.15 0.50 -0.76 4.80 5.08 -1.20 0.03 114.58 122.89 1mjg h GLU 168 Ca 0.01 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1mjg h GLU 168 Cb 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1mjg h GLU 168 CO -0.02 0.49 0.26 -0.22 -1.00 0.00 0.00 179.01 178.52 1mjg h LYS 169 N 0.49 1.16 -0.26 2.33 1.63 -0.70 -1.46 116.57 119.77 1mjg h LYS 169 Ca 0.11 -0.23 -0.08 0.00 -0.85 0.00 0.00 60.65 59.60 1mjg h LYS 169 Cb 0.23 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1mjg h LYS 169 CO 0.00 0.96 -0.16 0.00 -3.45 0.00 0.00 179.45 176.80 1mjg h ALA 170 N 1.16 0.37 -0.55 5.00 0.00 -0.13 -2.78 119.26 122.33 1mjg h ALA 170 Ca 0.25 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 170 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1mjg h ALA 170 CO -0.01 0.27 0.37 -0.07 0.00 0.00 0.00 179.25 179.81 1mjg h LEU 171 N 0.29 0.32 -1.63 0.00 3.38 -0.68 0.24 115.31 117.22 1mjg h LEU 171 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1mjg h LEU 171 Cb 0.69 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1mjg h LEU 171 CO 0.05 0.20 0.11 -0.33 0.09 0.00 0.00 178.44 178.55 1mjg h GLU 172 N 0.36 0.35 0.00 1.13 5.08 -0.99 -0.94 114.58 119.56 1mjg h GLU 172 Ca 0.25 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1mjg h GLU 172 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1mjg h GLU 172 CO -0.06 0.29 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.57 1mjg h ASP 173 N 0.35 0.00 1.14 1.42 3.32 -0.50 -1.70 116.42 120.44 1mjg h ASP 173 Ca 0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1mjg h ASP 173 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1mjg h ASP 173 CO -0.01 0.22 -0.91 -0.26 -1.72 0.00 0.00 179.24 176.56 1mjg h PHE 174 N 0.00 0.00 0.00 4.55 -1.00 -1.07 0.92 116.94 120.34 1mjg h PHE 174 Ca -0.00 0.00 -0.31 0.00 2.81 0.00 0.00 57.97 60.47 1mjg h PHE 174 Cb 0.64 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.15 1mjg h PHE 174 CO 0.00 0.38 -1.85 0.54 -1.61 0.00 0.00 178.31 175.77 1mjg n ARG 175 N -2.97 0.64 -1.56 1.51 1.74 -0.85 -3.46 116.66 111.71 1mjg n ARG 175 Ca -0.03 0.23 -0.50 0.00 -0.77 0.00 0.00 57.85 56.79 1mjg n ARG 175 Cb 0.72 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.98 1.02 -3.01 5.56 0.63 -0.67 -4.90 116.66 112.32 1mjg n ARG 176 Ca -0.20 0.36 -0.19 0.00 -0.92 0.00 0.00 57.85 56.90 1mjg n ARG 176 Cb 1.07 -1.84 0.01 0.00 0.45 0.00 0.00 32.46 32.16 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 0.73 3.63 0.19 6.15 1.43 -1.26 -2.82 118.68 126.73 1mjg s LEU 177 Ca 0.74 -0.19 -0.33 0.00 -1.03 0.00 0.00 54.13 53.32 1mjg s LEU 177 Cb -0.89 -2.79 -0.13 0.00 0.03 0.00 0.00 46.19 42.41 1mjg s LEU 177 CO 0.53 -0.78 1.56 1.17 0.23 0.00 0.00 176.35 179.05 1mjg n LYS 178 N -1.95 2.23 -0.65 1.70 4.81 -1.26 -1.49 118.16 121.55 1mjg n LYS 178 Ca 0.06 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1mjg n LYS 178 Cb 0.59 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 3.10 1.50 0.93 3.14 0.00 -1.26 -4.90 105.19 107.69 1mjg n GLY 179 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 2.19 0.00 1.61 1.02 -0.56 -5.06 120.64 117.85 1mjg n GLU 180 Ca 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.32 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 1.35 0.87 3.43 0.62 0.00 -1.26 -4.93 105.19 105.27 1mjg n GLY 181 Ca 0.18 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.60 1.56 -0.03 1.61 2.02 -1.26 -4.21 118.70 116.79 1mjg s GLU 182 Ca 0.00 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.41 1mjg s GLU 182 Cb 0.00 -1.99 -0.06 0.00 0.10 0.00 0.00 34.13 32.18 1mjg s GLU 182 CO 0.00 0.46 1.69 0.00 0.02 0.00 0.00 175.26 177.43 1mjg s ALA 183 N -1.12 3.62 0.11 5.21 0.00 -0.52 -4.91 121.76 124.15 1mjg s ALA 183 Ca 0.16 1.01 -0.23 0.00 0.00 0.00 0.00 51.96 52.90 1mjg s ALA 183 Cb -0.10 -3.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.18 1mjg s ALA 183 CO 0.08 -1.38 1.71 1.15 0.00 0.00 0.00 175.76 177.32 1mjg h THR 184 N 5.49 0.82 0.00 0.00 2.02 -1.91 -2.49 112.91 116.84 1mjg h THR 184 Ca -0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1mjg h THR 184 Cb 1.19 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 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 -5.19 0.15 -0.09 3.16 8.01 -1.26 -1.41 117.44 120.82 1mjg n TRP 185 Ca -0.05 0.07 -0.12 0.00 -1.31 0.00 0.00 57.50 56.09 1mjg n TRP 185 Cb 0.12 -0.61 -0.05 0.00 -2.01 0.00 0.00 31.31 28.75 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 -1.65 1.84 0.24 -0.99 7.94 -0.99 -4.03 117.00 119.36 1mjg n LEU 186 Ca 0.01 0.53 0.08 0.00 -1.11 0.00 0.00 56.01 55.52 1mjg n LEU 186 Cb 0.09 -0.89 0.60 0.00 0.53 0.00 0.00 43.42 43.75 1mjg n LEU 186 CO 0.08 -0.15 0.94 0.24 -1.11 0.00 0.00 177.39 177.40 1mjg h MET 187 N -1.00 0.00 -0.01 1.96 2.86 -1.31 -2.35 114.93 115.08 1mjg h MET 187 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1mjg h MET 187 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1mjg h MET 187 CO -0.09 0.15 -0.16 0.25 1.06 0.00 0.00 176.91 178.11 1mjg n THR 188 N -4.12 0.00 0.11 2.22 -2.24 -0.50 -4.01 114.28 105.73 1mjg n THR 188 Ca -0.02 -0.16 0.02 0.00 -2.27 0.00 0.00 64.05 61.62 1mjg n THR 188 Cb 0.22 0.38 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.42 0.34 -4.52 4.28 -2.24 -0.90 -4.96 114.28 105.87 1mjg n THR 189 Ca 0.15 -0.67 -0.25 0.00 -2.27 0.00 0.00 64.05 61.01 1mjg n THR 189 Cb 0.34 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.61 2.08 0.83 2.28 -4.36 -1.13 -4.84 121.20 115.45 1mjg s ILE 190 Ca 0.07 -2.18 -0.12 0.00 -0.26 0.00 0.00 60.65 58.16 1mjg s ILE 190 Cb 0.05 -2.61 0.09 0.00 1.25 0.00 0.00 42.46 41.24 1mjg s ILE 190 CO 0.07 -0.22 1.19 0.54 0.24 0.00 0.00 174.94 176.76 1mjg s ASN 191 N -3.57 4.35 0.28 4.36 4.22 -1.26 -4.88 114.94 118.43 1mjg s ASN 191 Ca 0.32 0.73 -0.04 0.00 -2.14 0.00 0.00 52.86 51.73 1mjg s ASN 191 Cb 0.03 -1.18 0.36 0.00 1.28 0.00 0.00 41.25 41.74 1mjg s ASN 191 CO 0.15 -2.00 1.95 -0.33 -2.04 0.00 0.00 177.10 174.83 1mjg h GLU 192 N -1.13 1.20 -0.16 3.55 4.39 -1.98 -2.26 114.58 118.18 1mjg h GLU 192 Ca -0.46 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.21 1mjg h GLU 192 Cb 1.32 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 1mjg h GLU 192 CO 0.63 0.79 -0.09 0.78 -1.16 0.00 0.00 179.01 179.96 1mjg h GLY 193 N 1.23 0.05 1.48 -3.84 0.00 -1.94 -0.73 103.07 99.32 1mjg h GLY 193 Ca 0.33 0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.68 1mjg h GLY 193 CO -0.07 -0.11 -0.20 3.21 0.00 0.00 0.00 176.54 179.36 1mjg h ARG 194 N -0.09 0.60 -0.49 4.80 2.47 -1.89 -1.27 114.38 118.51 1mjg h ARG 194 Ca 0.09 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 1mjg h ARG 194 Cb 0.23 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1mjg h ARG 194 CO -0.22 0.77 0.20 0.87 0.56 0.00 0.00 179.97 182.15 1mjg h LYS 195 N 0.54 0.73 -0.28 0.04 1.57 -1.00 -0.34 116.57 117.84 1mjg h LYS 195 Ca 0.08 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1mjg h LYS 195 Cb 0.65 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1mjg h LYS 195 CO 0.05 0.65 0.13 1.49 -0.57 0.00 0.00 179.45 181.21 1mjg h GLU 196 N 0.65 0.40 0.22 3.15 4.57 -1.01 -1.43 114.58 121.13 1mjg h GLU 196 Ca 0.16 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1mjg h GLU 196 Cb 0.19 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1mjg h GLU 196 CO -0.01 0.38 -0.11 -0.22 -1.18 0.00 0.00 179.01 177.87 1mjg h LYS 197 N 0.31 -0.28 -0.24 1.92 1.63 -0.97 -1.50 116.57 117.45 1mjg h LYS 197 Ca 0.10 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1mjg h LYS 197 Cb 0.11 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1mjg h LYS 197 CO -0.01 -0.18 -0.09 0.74 -3.45 0.00 0.00 179.45 176.45 1mjg h PHE 198 N -0.30 0.40 -0.04 1.91 0.05 -0.98 -1.51 116.94 116.46 1mjg h PHE 198 Ca -0.03 -0.05 -0.07 0.00 3.82 0.00 0.00 57.97 61.65 1mjg h PHE 198 Cb 0.23 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 38.08 1mjg h PHE 198 CO -0.06 0.47 -0.23 0.00 -0.18 0.00 0.00 178.31 178.31 1mjg h ARG 199 N 0.36 0.22 0.00 1.51 3.08 -1.13 -0.93 114.38 117.49 1mjg h ARG 199 Ca 0.07 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1mjg h ARG 199 Cb 0.39 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1mjg h ARG 199 CO 0.02 0.86 -0.25 1.79 -1.07 0.00 0.00 179.97 181.31 1mjg h THR 200 N -0.35 1.11 -0.05 2.04 1.35 -1.22 -2.43 112.91 113.36 1mjg h THR 200 Ca -0.02 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1mjg h THR 200 Cb 0.91 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1mjg h THR 200 CO 0.05 0.25 0.00 1.41 -0.25 0.00 0.00 175.52 176.98 1mjg n HIS 201 N -4.13 0.03 -3.78 4.73 8.25 -0.58 -4.98 115.22 114.76 1mjg n HIS 201 Ca -0.02 -0.02 -0.23 0.00 -0.26 0.00 0.00 57.72 57.19 1mjg n HIS 201 Cb 0.31 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.44 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 0.68 -1.44 -0.01 0.41 5.15 -0.57 -4.91 115.26 114.58 1mjg n ASN 202 Ca 0.17 -0.85 0.01 0.00 -0.60 0.00 0.00 54.58 53.30 1mjg n ASN 202 Cb 0.46 -3.82 0.01 0.00 -0.53 0.00 0.00 39.78 35.89 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 -4.35 1.00 -2.10 3.44 0.24 -0.46 -4.99 118.33 111.12 1mjg n VAL 203 Ca -0.26 -1.03 -0.42 0.00 -2.04 0.00 0.00 64.34 60.59 1mjg n VAL 203 Cb 0.66 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.07 3.61 0.29 3.34 1.01 -1.22 -4.20 120.40 122.16 1mjg s VAL 204 Ca 0.02 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 1mjg s VAL 204 Cb 0.02 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1mjg s VAL 204 CO 0.00 -0.05 1.25 -2.16 0.00 0.00 0.00 175.10 174.15 1mjg s PRO 205 N 3.38 4.43 -0.11 2.72 0.04 -1.26 -4.90 135.00 139.29 1mjg s PRO 205 Ca 0.69 2.08 -0.03 0.00 0.04 0.00 0.00 61.00 63.78 1mjg s PRO 205 Cb -0.32 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1mjg s PRO 205 CO 0.27 -0.10 -0.05 0.27 0.04 0.00 0.00 177.00 177.43 1mjg h PHE 206 N 3.85 0.00 -3.73 0.56 -0.00 -1.89 -1.38 116.94 114.36 1mjg h PHE 206 Ca -0.48 0.00 -0.41 0.00 -0.00 0.00 0.00 57.97 57.09 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 0.58 0.00 -0.76 0.20 -0.00 0.00 0.00 178.31 178.32 1mjg s GLY 207 N -3.73 0.99 -0.02 6.09 0.00 -1.13 -3.52 107.32 106.01 1mjg s GLY 207 Ca -0.04 -1.19 -0.22 0.00 0.00 0.00 0.00 44.72 43.27 1mjg s GLY 207 CO 0.07 -1.23 0.98 -2.22 0.00 0.00 0.00 173.10 170.69 1mjg h ILE 208 N 3.79 0.42 -0.73 0.90 2.04 -0.96 -1.37 117.51 121.59 1mjg h ILE 208 Ca -0.40 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1mjg h ILE 208 Cb 1.19 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1mjg h ILE 208 CO 0.47 0.09 0.43 0.45 0.00 0.00 0.00 178.15 179.58 1mjg h HIS 209 N -0.97 0.99 -0.25 1.37 3.86 -1.82 -2.30 115.15 116.03 1mjg h HIS 209 Ca -0.05 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 1mjg h HIS 209 Cb 0.53 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1mjg h HIS 209 CO 0.03 0.68 -0.15 0.00 0.86 0.00 0.00 177.93 179.34 1mjg h ALA 210 N 1.22 1.28 -0.47 2.45 0.00 -1.79 -0.34 119.26 121.62 1mjg h ALA 210 Ca 0.26 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1mjg h ALA 210 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1mjg h ALA 210 CO -0.05 0.47 -0.08 0.77 0.00 0.00 0.00 179.25 180.37 1mjg h SER 211 N 0.39 0.88 -0.17 0.00 0.02 -0.88 -0.58 113.55 113.21 1mjg h SER 211 Ca 0.07 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1mjg h SER 211 Cb 0.50 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1mjg h SER 211 CO 0.03 1.02 0.06 0.40 -1.14 0.00 0.00 176.83 177.21 1mjg h ILE 212 N 0.73 1.17 -0.98 3.27 2.04 -1.10 -2.95 117.51 119.68 1mjg h ILE 212 Ca 0.12 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1mjg h ILE 212 Cb 0.62 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1mjg h ILE 212 CO 0.04 0.16 0.65 -1.28 0.00 0.00 0.00 178.15 177.72 1mjg h SER 213 N 0.11 1.12 -0.91 1.72 0.87 -0.95 -2.56 113.55 112.94 1mjg h SER 213 Ca 0.06 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1mjg h SER 213 Cb 0.19 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 61.82 1mjg h SER 213 CO -0.00 0.81 0.59 -0.08 -0.53 0.00 0.00 176.83 177.61 1mjg h GLU 214 N 1.32 1.10 -0.19 2.24 4.57 -0.93 -0.25 114.58 122.44 1mjg h GLU 214 Ca 0.36 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 58.29 1mjg h GLU 214 Cb -0.14 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.20 1mjg h GLU 214 CO -0.08 0.73 -0.62 1.25 -1.18 0.00 0.00 179.01 179.11 1mjg h LEU 215 N 1.14 0.76 -0.78 1.64 5.85 -1.37 -0.52 115.31 122.03 1mjg h LEU 215 Ca 0.37 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1mjg h LEU 215 Cb 0.02 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1mjg h LEU 215 CO -0.13 1.19 0.49 0.58 -0.34 0.00 0.00 178.44 180.24 1mjg h VAL 216 N 0.50 1.11 -0.53 1.05 2.07 -1.05 -1.08 116.25 118.31 1mjg h VAL 216 Ca -0.01 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1mjg h VAL 216 Cb 1.20 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1mjg h VAL 216 CO 0.12 0.17 0.19 -1.13 0.02 0.00 0.00 177.57 176.95 1mjg h ASN 217 N 0.96 0.75 0.33 0.57 -0.73 -0.82 -2.53 115.58 114.11 1mjg h ASN 217 Ca 0.31 -0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 1mjg h ASN 217 Cb 0.03 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.42 1mjg h ASN 217 CO -0.12 0.73 -0.04 1.56 -0.37 0.00 0.00 177.43 179.20 1mjg h GLN 218 N 0.72 0.00 0.00 6.67 4.20 -0.15 -2.42 115.11 124.13 1mjg h GLN 218 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1mjg h GLN 218 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1mjg h GLN 218 CO -0.01 0.04 -0.51 0.00 -0.67 0.00 0.00 178.83 177.68 1mjg n ALA 219 N -2.17 3.01 -1.73 3.87 0.00 -0.50 -3.20 120.51 119.80 1mjg n ALA 219 Ca -0.02 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.80 1mjg n ALA 219 Cb 0.17 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.91 1.97 -1.59 0.00 -0.00 -0.91 -4.88 115.22 107.90 1mjg n HIS 220 Ca 0.04 0.42 -0.48 0.00 -0.00 0.00 0.00 57.72 57.70 1mjg n HIS 220 Cb 0.40 -2.29 -0.04 0.00 -0.00 0.00 0.00 29.99 28.07 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 -1.64 1.28 -2.02 1.57 0.00 -1.26 -2.29 117.12 112.77 1mjg n MET 221 Ca 0.14 0.46 -0.10 0.00 -0.00 0.00 0.00 57.70 58.20 1mjg n MET 221 Cb 0.47 -1.98 -0.01 0.00 0.00 0.00 0.00 33.22 31.69 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 2.06 0.19 0.00 -5.12 0.00 -1.26 -5.00 105.19 96.06 1mjg n GLY 222 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.14 0.00 -2.74 1.61 2.00 -0.97 -5.06 117.12 109.82 1mjg n MET 223 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.20 1mjg n MET 223 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.70 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 -0.46 7.41 -0.01 7.83 3.68 -1.19 -4.94 116.67 128.99 1mjg s ASP 224 Ca 0.00 1.91 0.01 0.00 2.13 0.00 0.00 52.55 56.60 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 0.00 175.17 172.79 1mjg n ASN 225 N 0.86 0.31 -4.54 -0.34 2.85 -1.26 -4.98 115.26 108.17 1mjg n ASN 225 Ca 0.01 -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 41.34 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 6.19 0.20 1.20 -1.08 -1.26 -4.84 116.67 116.59 1mjg s ASP 226 Ca 0.01 -0.26 -0.11 0.00 -0.52 0.00 0.00 52.55 51.68 1mjg s ASP 226 Cb 0.01 -2.20 0.22 0.00 -1.46 0.00 0.00 42.92 39.49 1mjg s ASP 226 CO 0.00 -0.37 1.78 1.55 0.52 0.00 0.00 175.17 178.65 1mjg h PRO 227 N 8.48 0.50 -0.44 4.34 0.13 -1.96 -0.92 132.00 142.14 1mjg h PRO 227 Ca -0.29 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1mjg h PRO 227 Cb 1.14 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1mjg h PRO 227 CO 0.71 0.33 -0.24 0.28 -0.23 0.00 0.00 178.00 178.85 1mjg h VAL 228 N 0.52 1.27 -0.68 1.56 2.07 -1.99 -1.52 116.25 117.48 1mjg h VAL 228 Ca 0.27 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1mjg h VAL 228 Cb 0.24 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1mjg h VAL 228 CO -0.22 0.47 0.16 -1.13 0.02 0.00 0.00 177.57 176.88 1mjg h ASN 229 N 0.77 1.03 -0.25 0.57 -1.24 -1.90 -1.09 115.58 113.47 1mjg h ASN 229 Ca 0.10 -0.24 -0.06 0.00 0.71 0.00 0.00 56.30 56.81 1mjg h ASN 229 Cb 0.79 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1mjg h ASN 229 CO 0.07 1.00 -0.09 -0.07 -1.29 0.00 0.00 177.43 177.05 1mjg h LEU 230 N 1.02 0.51 -0.51 0.34 3.38 -1.05 -2.21 115.31 116.79 1mjg h LEU 230 Ca 0.21 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1mjg h LEU 230 Cb 0.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1mjg h LEU 230 CO 0.00 0.78 0.23 0.58 0.09 0.00 0.00 178.44 180.13 1mjg h VAL 231 N 0.24 1.20 -0.43 1.22 2.07 -1.17 -1.15 116.25 118.23 1mjg h VAL 231 Ca 0.06 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1mjg h VAL 231 Cb 0.57 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1mjg h VAL 231 CO 0.03 0.23 0.19 -0.26 0.02 0.00 0.00 177.57 177.78 1mjg h PHE 232 N 0.68 0.59 -0.23 1.57 -1.00 -1.19 0.70 116.94 118.07 1mjg h PHE 232 Ca 0.17 -0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.80 1mjg h PHE 232 Cb 0.14 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1mjg h PHE 232 CO -0.00 0.45 -0.44 1.03 -1.61 0.00 0.00 178.31 177.74 1mjg h SER 233 N 0.60 0.60 -0.11 2.17 0.87 -0.84 -0.91 113.55 115.92 1mjg h SER 233 Ca 0.15 -0.28 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 1mjg h SER 233 Cb 0.09 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1mjg h SER 233 CO -0.02 0.96 -0.22 0.00 -0.53 0.00 0.00 176.83 177.02 1mjg h ALA 234 N 1.07 1.08 -0.38 6.23 0.00 -0.16 -1.88 119.26 125.22 1mjg h ALA 234 Ca 0.03 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1mjg h ALA 234 Cb 0.95 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1mjg h ALA 234 CO 0.08 0.56 -0.23 0.82 0.00 0.00 0.00 179.25 180.49 1mjg h ILE 235 N 0.48 1.27 -0.61 0.00 2.04 -0.51 -0.35 117.51 119.82 1mjg h ILE 235 Ca 0.07 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 1mjg h ILE 235 Cb 0.65 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1mjg h ILE 235 CO 0.05 0.45 0.15 -0.09 0.00 0.00 0.00 178.15 178.70 1mjg h ARG 236 N 0.67 0.95 -0.45 2.37 2.43 -0.72 0.37 114.38 119.99 1mjg h ARG 236 Ca 0.09 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1mjg h ARG 236 Cb 0.74 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1mjg h ARG 236 CO 0.06 0.85 -0.21 0.28 -1.51 0.00 0.00 179.97 179.44 1mjg h VAL 237 N 0.91 1.27 -0.74 0.20 2.07 -0.96 -1.01 116.25 117.99 1mjg h VAL 237 Ca 0.20 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1mjg h VAL 237 Cb 0.33 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1mjg h VAL 237 CO 0.00 0.46 0.25 0.00 0.02 0.00 0.00 177.57 178.30 1mjg h ALA 238 N 0.96 0.97 0.00 1.67 0.00 -0.49 -0.23 119.26 122.15 1mjg h ALA 238 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mjg h ALA 238 Cb 0.76 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1mjg h ALA 238 CO 0.06 0.64 -0.26 -0.07 0.00 0.00 0.00 179.25 179.62 1mjg h LEU 239 N 1.09 0.00 -0.41 0.00 3.38 -0.65 -0.71 115.31 118.01 1mjg h LEU 239 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1mjg h LEU 239 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1mjg h LEU 239 CO -0.01 0.26 -0.63 0.00 0.09 0.00 0.00 178.44 178.15 1mjg h ALA 240 N 1.74 0.59 0.30 1.53 0.00 -0.17 -1.62 119.26 121.63 1mjg h ALA 240 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1mjg h ALA 240 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mjg h ALA 240 CO 0.03 0.71 -0.15 0.22 0.00 0.00 0.00 179.25 180.06 1mjg h ASP 241 N 0.43 -0.35 -0.94 0.00 3.58 -0.25 -1.43 116.42 117.47 1mjg h ASP 241 Ca -0.01 -0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.56 1mjg h ASP 241 Cb 1.20 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 42.25 1mjg h ASP 241 CO 0.12 -0.23 0.57 0.22 -2.88 0.00 0.00 179.24 177.04 1mjg h TYR 242 N -0.43 1.02 0.01 0.28 3.20 -1.07 -0.63 116.97 119.35 1mjg h TYR 242 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1mjg h TYR 242 Cb 0.33 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1mjg h TYR 242 CO -0.05 0.38 -0.03 1.15 -1.64 0.00 0.00 178.16 177.98 1mjg h THR 243 N 0.89 0.93 -0.74 1.81 2.02 -0.84 -0.77 112.91 116.21 1mjg h THR 243 Ca 0.47 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.64 1mjg h THR 243 Cb 0.49 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1mjg h THR 243 CO -0.28 0.00 0.42 1.23 0.37 0.00 0.00 175.52 177.26 1mjg h GLY 244 N -0.06 1.09 0.95 2.16 0.00 -0.55 -1.91 103.07 104.76 1mjg h GLY 244 Ca 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1mjg h GLY 244 CO -0.02 0.46 0.15 0.83 0.00 0.00 0.00 176.54 177.95 1mjg h GLU 245 N 1.03 0.39 -0.22 4.80 5.08 -0.72 -0.37 114.58 124.57 1mjg h GLU 245 Ca 0.26 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1mjg h GLU 245 Cb 0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1mjg h GLU 245 CO -0.04 0.35 -0.07 1.25 -1.00 0.00 0.00 179.01 179.50 1mjg h HIS 246 N 0.33 0.36 -0.27 4.33 2.76 -0.84 -0.36 115.15 121.46 1mjg h HIS 246 Ca 0.10 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 1mjg h HIS 246 Cb 0.08 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1mjg h HIS 246 CO -0.03 0.42 -0.08 0.82 -1.30 0.00 0.00 177.93 177.76 1mjg h ILE 247 N 0.33 1.29 -0.46 6.26 2.04 -0.93 -1.57 117.51 124.48 1mjg h ILE 247 Ca 0.07 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.82 1mjg h ILE 247 Cb 0.34 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1mjg h ILE 247 CO 0.02 0.35 0.30 0.00 0.00 0.00 0.00 178.15 178.81 1mjg h ALA 248 N 0.76 0.58 -0.08 1.87 0.00 -0.33 -1.42 119.26 120.65 1mjg h ALA 248 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1mjg h ALA 248 Cb 0.56 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mjg h ALA 248 CO 0.03 0.02 0.02 1.15 0.00 0.00 0.00 179.25 180.46 1mjg h THR 249 N 0.61 1.20 -0.16 0.00 2.02 -1.05 -0.49 112.91 115.04 1mjg h THR 249 Ca 0.17 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.77 1mjg h THR 249 Cb -0.06 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1mjg h THR 249 CO -0.04 0.18 -0.13 0.44 0.37 0.00 0.00 175.52 176.33 1mjg h ASP 250 N -0.09 -0.42 0.60 4.18 3.32 -1.16 -1.33 116.42 121.53 1mjg h ASP 250 Ca 0.03 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1mjg h ASP 250 Cb 0.27 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1mjg h ASP 250 CO 0.00 -0.17 -0.46 -0.26 -1.72 0.00 0.00 179.24 176.63 1mjg h PHE 251 N -0.14 0.00 -0.33 4.55 -1.00 -1.25 -1.42 116.94 117.35 1mjg h PHE 251 Ca 0.10 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.73 1mjg h PHE 251 Cb 0.29 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1mjg h PHE 251 CO -0.27 0.46 -0.41 0.77 -1.61 0.00 0.00 178.31 177.26 1mjg h SER 252 N 0.00 0.86 -0.20 2.17 0.02 -0.71 -0.11 113.55 115.58 1mjg h SER 252 Ca -0.00 -0.40 -0.14 0.00 -0.84 0.00 0.00 61.79 60.41 1mjg h SER 252 Cb 0.89 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1mjg h SER 252 CO 0.06 1.16 -0.38 0.44 -1.14 0.00 0.00 176.83 176.97 1mjg h ASP 253 N 0.66 0.78 -0.47 3.07 3.32 -0.99 0.11 116.42 122.90 1mjg h ASP 253 Ca 0.05 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1mjg h ASP 253 Cb 0.97 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1mjg h ASP 253 CO 0.09 1.07 0.13 0.40 -1.72 0.00 0.00 179.24 179.22 1mjg h ILE 254 N 0.61 1.23 0.11 0.35 2.04 -1.07 0.55 117.51 121.33 1mjg h ILE 254 Ca 0.05 -0.78 -0.27 0.00 1.00 0.00 0.00 64.86 64.87 1mjg h ILE 254 Cb 0.92 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1mjg h ILE 254 CO 0.08 0.28 -1.20 -0.07 0.00 0.00 0.00 178.15 177.24 1mjg h LEU 255 N 0.63 0.41 -0.84 1.44 3.38 -0.93 -0.26 115.31 119.14 1mjg h LEU 255 Ca 0.15 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1mjg h LEU 255 Cb 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1mjg h LEU 255 CO -0.00 1.32 -0.02 0.49 0.09 0.00 0.00 178.44 180.32 1mjg n PHE 256 N -3.55 0.00 0.00 1.13 3.01 0.38 -3.85 117.46 114.58 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 1.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.47 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 0.34 2.15 3.71 1.37 0.00 0.19 -4.97 105.19 107.98 1mjg n GLY 257 Ca 0.01 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.30 4.20 0.36 2.61 2.01 -1.22 -4.48 115.64 117.82 1mjg s THR 258 Ca 0.00 1.57 -0.26 0.00 0.31 0.00 0.00 61.69 63.31 1mjg s THR 258 Cb 0.00 -4.01 -0.12 0.00 0.01 0.00 0.00 72.50 68.38 1mjg s THR 258 CO 0.00 0.10 1.05 -2.65 -0.69 0.00 0.00 174.62 172.43 1mjg n PRO 259 N 4.18 1.49 -4.25 4.92 -0.02 -1.26 -5.03 135.00 135.03 1mjg n PRO 259 Ca 0.09 0.53 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 1mjg n PRO 259 Cb 0.47 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.82 1.04 0.12 -0.52 -0.21 -1.11 -4.11 119.66 113.05 1mjg s GLN 260 Ca 0.60 -1.28 -0.35 0.00 0.02 0.00 0.00 55.36 54.34 1mjg s GLN 260 Cb -0.61 -0.88 -0.16 0.00 1.00 0.00 0.00 33.01 32.36 1mjg s GLN 260 CO 0.59 0.16 1.36 -2.30 -2.12 0.00 0.00 175.29 172.98 1mjg n PRO 261 N 0.39 1.36 -3.89 2.91 -0.02 -1.15 -4.25 135.00 130.36 1mjg n PRO 261 Ca -0.14 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1mjg n PRO 261 Cb 0.58 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.45 0.11 -0.10 -1.45 0.11 0.33 -4.95 120.40 114.89 1mjg s VAL 262 Ca 0.81 -0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 1mjg s VAL 262 Cb -0.88 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 1mjg s VAL 262 CO 0.46 -0.50 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.03 1mjg s VAL 263 N -2.10 4.17 0.00 2.04 1.01 -1.26 -1.07 120.40 123.19 1mjg s VAL 263 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1mjg s VAL 263 Cb -0.04 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.57 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 2.52 0.00 -4.16 3.32 2.88 0.41 -4.88 113.62 113.70 1mjg n SER 264 Ca -0.18 -0.13 -0.10 0.00 -1.33 0.00 0.00 58.87 57.13 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 0.62 0.83 0.04 -1.46 2.02 -1.26 -0.04 118.70 119.44 1mjg s GLU 265 Ca 0.00 -1.35 -0.04 0.00 0.02 0.00 0.00 54.97 53.61 1mjg s GLU 265 Cb 0.00 -0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.14 1mjg s GLU 265 CO 0.00 -0.08 0.05 0.00 0.02 0.00 0.00 175.26 175.25 1mjg s ALA 266 N -3.74 0.08 0.00 5.21 0.00 -0.64 -2.03 121.76 120.64 1mjg s ALA 266 Ca 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.41 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 -0.04 -0.30 0.00 -1.71 0.00 0.00 0.00 175.76 173.71 1mjg n ASN 267 N 0.79 0.00 0.13 0.00 2.85 0.92 -1.57 115.26 118.37 1mjg n ASN 267 Ca -0.19 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.46 1mjg n ASN 267 Cb 0.58 0.00 0.60 0.00 1.24 0.00 0.00 39.78 42.20 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 -1.16 -1.92 114.93 115.91 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 -1.46 -0.94 0.00 8.32 0.00 0.11 -1.83 105.19 109.39 1mjg n GLY 269 Ca 0.07 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.18 0.63 -2.60 1.61 0.24 -0.72 -4.77 118.33 110.54 1mjg n VAL 270 Ca -0.00 0.16 -0.35 0.00 -2.04 0.00 0.00 64.34 62.10 1mjg n VAL 270 Cb 0.08 -0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 31.59 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 -2.98 4.05 -0.18 1.34 1.43 -0.76 -5.05 118.68 116.53 1mjg s LEU 271 Ca 0.10 1.94 -0.01 0.00 -1.03 0.00 0.00 54.13 55.13 1mjg s LEU 271 Cb 0.13 -4.33 0.05 0.00 0.03 0.00 0.00 46.19 42.07 1mjg s LEU 271 CO 0.36 -0.52 -0.03 -0.62 0.23 0.00 0.00 176.35 175.76 1mjg s ASP 272 N -1.77 2.94 0.60 2.29 -1.08 -1.26 -5.02 116.67 113.36 1mjg s ASP 272 Ca 0.60 -0.74 0.29 0.00 -0.52 0.00 0.00 52.55 52.19 1mjg s ASP 272 Cb -0.18 -0.88 1.64 0.00 -1.46 0.00 0.00 42.92 42.04 1mjg s ASP 272 CO 0.23 -0.21 2.05 1.55 0.52 0.00 0.00 175.17 179.30 1mjg h PRO 273 N 8.13 0.00 -0.53 4.34 0.13 -1.96 -1.70 132.00 140.40 1mjg h PRO 273 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1mjg h PRO 273 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1mjg h PRO 273 CO 0.39 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.91 1mjg n ASP 274 N -3.69 3.31 -4.66 1.44 8.00 -1.26 -4.93 116.55 114.76 1mjg n ASP 274 Ca 0.03 -1.98 -0.29 0.00 0.71 0.00 0.00 54.79 53.26 1mjg n ASP 274 Cb 0.40 -0.35 -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 -1.30 2.03 -0.51 -1.24 -0.21 -0.64 -1.22 119.66 116.57 1mjg s GLN 275 Ca 0.41 -2.18 -0.23 0.00 0.02 0.00 0.00 55.36 53.38 1mjg s GLN 275 Cb 0.22 -1.62 0.04 0.00 1.00 0.00 0.00 33.01 32.65 1mjg s GLN 275 CO 0.30 -0.13 0.86 0.08 -2.12 0.00 0.00 175.29 174.28 1mjg s VAL 276 N -2.75 4.52 -0.54 1.09 1.01 -0.05 -4.88 120.40 118.80 1mjg s VAL 276 Ca 0.28 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1mjg s VAL 276 Cb 0.08 -4.44 0.04 0.00 0.00 0.00 0.00 36.38 32.05 1mjg s VAL 276 CO 0.14 -0.94 0.97 0.20 0.00 0.00 0.00 175.10 175.47 1mjg s ASN 277 N 2.56 6.38 -0.32 3.32 0.01 -1.26 -0.32 114.94 125.32 1mjg s ASN 277 Ca 0.29 -0.22 -0.08 0.00 -0.71 0.00 0.00 52.86 52.15 1mjg s ASN 277 Cb -0.13 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 39.10 1mjg s ASN 277 CO 0.20 -1.22 0.11 0.12 -1.51 0.00 0.00 177.10 174.80 1mjg s PHE 278 N 4.02 3.19 -0.14 2.20 5.36 -0.78 -1.47 117.98 130.35 1mjg s PHE 278 Ca 0.33 -1.03 -0.18 0.00 -0.96 0.00 0.00 56.93 55.09 1mjg s PHE 278 Cb -0.12 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1mjg s PHE 278 CO 0.21 -0.61 0.47 0.08 -1.46 0.00 0.00 175.22 173.91 1mjg s VAL 279 N 1.50 5.18 -0.39 3.12 1.01 0.92 -1.44 120.40 130.30 1mjg s VAL 279 Ca 0.02 0.91 -0.14 0.00 0.00 0.00 0.00 61.98 62.77 1mjg s VAL 279 Cb -0.18 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1mjg s VAL 279 CO 0.04 0.30 0.28 -0.76 0.00 0.00 0.00 175.10 174.95 1mjg s LEU 280 N 0.83 4.91 0.04 3.92 1.43 0.13 -0.99 118.68 128.95 1mjg s LEU 280 Ca 0.25 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.64 1mjg s LEU 280 Cb -0.15 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1mjg s LEU 280 CO 0.10 -0.38 -0.16 -2.28 0.23 0.00 0.00 176.35 173.85 1mjg s HIS 281 N 1.68 1.39 0.00 0.29 2.46 -0.78 -0.92 115.29 119.42 1mjg s HIS 281 Ca 0.05 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.23 1mjg s HIS 281 Cb -0.19 -0.83 0.00 0.00 -0.13 0.00 0.00 32.58 31.43 1mjg s HIS 281 CO 0.10 0.05 0.00 0.41 -2.47 0.00 0.00 174.74 172.83 1mjg n GLY 282 N 1.93 0.32 0.00 1.59 0.00 -1.25 -2.85 105.19 104.92 1mjg n GLY 282 Ca -0.18 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.04 1.61 8.25 -1.15 -1.85 115.22 119.05 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 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.99 6.63 0.00 0.41 3.84 -1.26 -4.01 114.94 118.56 1mjg s ASN 284 Ca 0.00 0.71 0.16 0.00 0.21 0.00 0.00 52.86 53.94 1mjg s ASN 284 Cb 0.00 -2.37 0.82 0.00 -0.55 0.00 0.00 41.25 39.15 1mjg s ASN 284 CO 0.00 -0.47 1.46 -0.81 -2.79 0.00 0.00 177.10 174.50 1mjg n PRO 285 N 5.90 0.24 0.29 0.43 -0.04 -1.26 -2.68 135.00 137.87 1mjg n PRO 285 Ca 0.01 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 1mjg n PRO 285 Cb 0.48 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.29 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 -1.17 115.31 117.05 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 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1mjg h LEU 286 CO 0.00 0.03 -0.32 -0.11 0.09 0.00 0.00 178.44 178.13 1mjg n LEU 287 N -3.91 1.05 -0.16 1.67 7.94 -1.09 -4.28 117.00 118.21 1mjg n LEU 287 Ca -0.03 0.44 -0.02 0.00 -1.11 0.00 0.00 56.01 55.30 1mjg n LEU 287 Cb 0.11 -0.71 0.07 0.00 0.53 0.00 0.00 43.42 43.42 1mjg n LEU 287 CO 0.29 -0.47 0.87 0.77 -1.11 0.00 0.00 177.39 177.73 1mjg h SER 288 N -0.57 -0.14 -0.98 1.96 4.64 -1.65 -1.39 113.55 115.41 1mjg h SER 288 Ca 0.00 0.11 0.16 0.00 -0.47 0.00 0.00 61.79 61.59 1mjg h SER 288 Cb 0.32 0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 62.50 1mjg h SER 288 CO 0.00 -0.04 0.59 -0.33 -0.87 0.00 0.00 176.83 176.18 1mjg h GLU 289 N 0.16 0.78 -0.10 4.77 4.39 -1.46 0.82 114.58 123.94 1mjg h GLU 289 Ca 0.26 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.72 1mjg h GLU 289 Cb 0.38 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1mjg h GLU 289 CO -0.39 0.52 -0.73 0.82 -1.16 0.00 0.00 179.01 178.07 1mjg h ILE 290 N 0.81 1.36 -0.79 3.13 1.08 -1.50 -2.75 117.51 118.85 1mjg h ILE 290 Ca 0.54 -2.09 0.00 0.00 -0.39 0.00 0.00 64.86 62.92 1mjg h ILE 290 Cb 0.74 2.07 -0.04 0.00 -3.07 0.00 0.00 36.82 36.52 1mjg h ILE 290 CO -0.35 0.64 0.51 0.40 -0.69 0.00 0.00 178.15 178.66 1mjg h ILE 291 N 0.33 1.21 -0.47 -0.67 1.08 -0.05 0.33 117.51 119.27 1mjg h ILE 291 Ca -0.03 -0.41 0.04 0.00 -0.39 0.00 0.00 64.86 64.06 1mjg h ILE 291 Cb 1.31 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 1mjg h ILE 291 CO 0.13 0.21 0.24 0.58 -0.69 0.00 0.00 178.15 178.62 1mjg h VAL 292 N 1.08 0.97 -0.19 1.67 2.07 -0.76 0.17 116.25 121.24 1mjg h VAL 292 Ca 0.29 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1mjg h VAL 292 Cb -0.09 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1mjg h VAL 292 CO -0.06 0.09 0.05 1.56 0.02 0.00 0.00 177.57 179.23 1mjg h GLN 293 N 0.48 0.31 -0.68 1.57 4.20 -1.13 -3.00 115.11 116.85 1mjg h GLN 293 Ca 0.20 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1mjg h GLN 293 Cb 0.10 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1mjg h GLN 293 CO -0.14 0.43 0.38 0.00 -0.67 0.00 0.00 178.83 178.84 1mjg h ALA 294 N 0.86 1.39 -0.87 3.87 0.00 -0.56 -2.63 119.26 121.33 1mjg h ALA 294 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 294 Cb 0.26 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1mjg h ALA 294 CO 0.00 0.51 0.57 0.00 0.00 0.00 0.00 179.25 180.32 1mjg h ALA 295 N 1.48 1.13 -0.78 0.00 0.00 -0.55 -2.20 119.26 118.33 1mjg h ALA 295 Ca 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1mjg h ALA 295 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1mjg h ALA 295 CO -0.04 0.45 0.51 0.00 0.00 0.00 0.00 179.25 180.17 1mjg h ARG 296 N 1.13 1.01 0.00 0.00 3.08 -1.36 -1.46 114.38 116.78 1mjg h ARG 296 Ca 0.33 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1mjg h ARG 296 Cb -0.06 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.76 1mjg h ARG 296 CO -0.10 0.67 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 1mjg n GLU 297 N -4.55 0.57 -0.08 0.04 1.02 -0.86 -3.62 120.64 113.15 1mjg n GLU 297 Ca 0.08 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.30 1mjg n GLU 297 Cb 0.03 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.02 1mjg n GLU 297 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1mjg n MET 298 N -1.12 1.70 -0.22 3.49 2.81 -0.56 -4.66 117.12 118.56 1mjg n MET 298 Ca 0.15 -1.99 0.09 0.00 -1.81 0.00 0.00 57.70 54.14 1mjg n MET 298 Cb 0.12 -1.20 0.36 0.00 -0.71 0.00 0.00 33.22 31.79 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 0.71 -0.14 0.03 4.39 -1.60 -1.61 114.58 116.35 1mjg h GLU 299 Ca 0.00 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1mjg h GLU 299 Cb 0.86 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 1mjg h GLU 299 CO 0.00 0.47 -0.14 0.78 -1.16 0.00 0.00 179.01 178.96 1mjg h GLY 300 N 0.73 -0.05 2.00 -3.84 0.00 -1.88 0.78 103.07 100.82 1mjg h GLY 300 Ca 0.37 0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.82 1mjg h GLY 300 CO -0.15 -0.15 -0.27 0.83 0.00 0.00 0.00 176.54 176.81 1mjg h GLU 301 N -0.17 0.00 -0.02 4.80 5.08 -1.67 -0.66 114.58 121.95 1mjg h GLU 301 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1mjg h GLU 301 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1mjg h GLU 301 CO -0.24 0.27 -0.02 0.00 -1.00 0.00 0.00 179.01 178.02 1mjg h ALA 302 N 1.73 0.03 -0.39 3.43 0.00 -0.39 -2.58 119.26 121.09 1mjg h ALA 302 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1mjg h ALA 302 Cb 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1mjg h ALA 302 CO 0.03 -0.22 0.16 0.87 0.00 0.00 0.00 179.25 180.09 1mjg h LYS 303 N -0.41 0.58 0.00 0.00 1.57 -0.69 -1.40 116.57 116.21 1mjg h LYS 303 Ca 0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1mjg h LYS 303 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1mjg h LYS 303 CO 0.00 0.55 0.00 0.00 -0.57 0.00 0.00 179.45 179.43 1mjg h ALA 304 N 1.00 1.00 -0.02 3.86 0.00 -1.15 0.25 119.26 124.19 1mjg h ALA 304 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1mjg h ALA 304 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mjg h ALA 304 CO -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.16 1mjg n ALA 305 N -1.83 2.68 -0.01 0.00 0.00 -0.61 -4.94 120.51 115.80 1mjg n ALA 305 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1mjg n ALA 305 Cb 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.29 0.86 3.90 0.00 0.00 0.86 -4.73 105.19 107.37 1mjg n GLY 306 Ca 0.15 0.00 -0.28 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 3.88 -0.71 4.61 0.00 -0.71 -4.97 121.76 121.86 1mjg s ALA 307 Ca 0.00 -0.99 0.24 0.00 0.00 0.00 0.00 51.96 51.21 1mjg s ALA 307 Cb 0.00 -1.70 0.91 0.00 0.00 0.00 0.00 23.12 22.33 1mjg s ALA 307 CO 0.00 0.65 1.73 1.63 0.00 0.00 0.00 175.76 179.77 1mjg n LYS 308 N -0.14 0.17 -4.00 0.00 4.01 -0.36 -3.51 118.16 114.34 1mjg n LYS 308 Ca -0.07 0.27 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 1mjg n LYS 308 Cb 0.53 -1.75 0.00 0.00 -0.51 0.00 0.00 35.03 33.30 1mjg n LYS 308 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mjg n GLY 309 N 0.68 -1.61 3.48 0.72 0.00 -1.26 -4.90 105.19 102.29 1mjg n GLY 309 Ca 0.04 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.86 4.48 -0.61 -0.61 1.01 -1.26 -0.87 121.20 120.48 1mjg s ILE 310 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 1mjg s ILE 310 Cb 0.00 -3.09 0.16 0.00 0.01 0.00 0.00 42.46 39.53 1mjg s ILE 310 CO 0.00 0.34 0.48 0.21 0.00 0.00 0.00 174.94 175.97 1mjg s ASN 311 N 1.52 5.83 0.03 3.58 2.47 0.57 -4.90 114.94 124.03 1mjg s ASN 311 Ca 0.06 -2.39 -0.29 0.00 0.42 0.00 0.00 52.86 50.65 1mjg s ASN 311 Cb -0.15 -2.01 -0.04 0.00 -1.45 0.00 0.00 41.25 37.60 1mjg s ASN 311 CO 0.04 -0.57 0.95 -0.76 -3.72 0.00 0.00 177.10 173.05 1mjg s LEU 312 N 0.63 4.41 0.06 3.21 1.43 -1.26 -1.87 118.68 125.28 1mjg s LEU 312 Ca 0.12 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 1mjg s LEU 312 Cb -0.20 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1mjg s LEU 312 CO -0.04 -0.19 -0.06 0.68 0.23 0.00 0.00 176.35 176.98 1mjg s VAL 313 N 0.67 0.49 0.31 -1.59 -7.23 -0.52 -4.36 120.40 108.16 1mjg s VAL 313 Ca 0.49 -1.40 0.11 0.00 -1.81 0.00 0.00 61.98 59.37 1mjg s VAL 313 Cb -0.21 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.68 1mjg s VAL 313 CO 0.28 -0.62 -0.14 -0.83 -0.31 0.00 0.00 175.10 173.47 1mjg s GLY 314 N -2.16 2.01 0.02 2.32 0.00 0.25 0.22 107.32 109.98 1mjg s GLY 314 Ca -0.02 -1.96 0.01 0.00 0.00 0.00 0.00 44.72 42.75 1mjg s GLY 314 CO -0.03 -1.98 -0.05 -0.42 0.00 0.00 0.00 173.10 170.62 1mjg s ILE 315 N -2.54 0.34 0.00 0.90 1.01 -0.10 -0.77 121.20 120.04 1mjg s ILE 315 Ca 0.31 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1mjg s ILE 315 Cb -0.02 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1mjg s ILE 315 CO 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 174.94 174.80 1mjg h THR 318 N 1.26 1.19 -0.06 0.00 1.35 -1.50 0.27 112.91 115.42 1mjg h THR 318 Ca 0.36 -0.91 0.01 0.00 -0.55 0.00 0.00 66.41 65.31 1mjg h THR 318 Cb -0.11 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1mjg h THR 318 CO -0.09 0.27 0.02 1.23 -0.25 0.00 0.00 175.52 176.70 1mjg h GLY 319 N 0.81 0.07 1.12 5.82 0.00 -0.78 -1.15 103.07 108.96 1mjg h GLY 319 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1mjg h GLY 319 CO 0.03 0.01 0.31 3.43 0.00 0.00 0.00 176.54 180.33 1mjg h ASN 320 N 0.05 1.03 0.05 0.19 2.35 0.10 -1.85 115.58 117.51 1mjg h ASN 320 Ca 0.03 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1mjg h ASN 320 Cb 0.02 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1mjg h ASN 320 CO -0.03 0.90 -0.19 -0.33 -1.65 0.00 0.00 177.43 176.13 1mjg h GLU 321 N 1.10 -0.33 0.00 0.81 4.39 0.13 0.72 114.58 121.41 1mjg h GLU 321 Ca 0.26 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1mjg h GLU 321 Cb 0.19 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1mjg h GLU 321 CO -0.02 -0.22 0.00 -0.39 -1.16 0.00 0.00 179.01 177.22 1mjg h VAL 322 N -0.34 0.00 -0.00 3.13 -1.51 -1.15 -2.48 116.25 113.90 1mjg h VAL 322 Ca 0.04 -0.53 -0.04 0.00 -1.23 0.00 0.00 66.70 64.94 1mjg h VAL 322 Cb 0.39 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1mjg h VAL 322 CO -0.14 0.00 -0.17 0.25 -1.23 0.00 0.00 177.57 176.28 1mjg h LEU 323 N 0.00 0.15 -1.60 4.19 5.85 -0.85 0.25 115.31 123.30 1mjg h LEU 323 Ca 0.00 -0.77 -0.00 0.00 0.84 0.00 0.00 57.88 57.95 1mjg h LEU 323 Cb 0.65 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1mjg h LEU 323 CO 0.00 0.90 0.20 0.24 -0.34 0.00 0.00 178.44 179.44 1mjg h MET 324 N -0.58 0.47 0.00 1.25 2.86 -0.75 -1.50 114.93 116.68 1mjg h MET 324 Ca -0.02 -0.04 -0.23 0.00 -2.06 0.00 0.00 59.70 57.36 1mjg h MET 324 Cb 0.92 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 1mjg h MET 324 CO 0.03 0.33 -1.85 0.54 1.06 0.00 0.00 176.91 177.02 1mjg n ARG 325 N -4.46 1.85 0.00 1.72 1.74 -0.95 -4.15 116.66 112.42 1mjg n ARG 325 Ca 0.02 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.12 1mjg n ARG 325 Cb 0.09 -1.32 0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.50 -0.31 -1.14 5.56 1.13 0.80 -4.99 117.38 115.92 1mjg n GLN 326 Ca -0.21 -0.73 -0.05 0.00 -1.94 0.00 0.00 57.00 54.07 1mjg n GLN 326 Cb 0.89 -1.07 -0.02 0.00 0.11 0.00 0.00 30.24 30.15 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 0.25 0.70 3.72 1.08 0.00 -0.56 -4.94 105.19 105.44 1mjg n GLY 327 Ca 0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 0.59 -0.61 -1.09 -0.95 -4.72 121.20 115.14 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 0.00 174.94 172.68 1mjg s PRO 329 N 1.17 3.16 -0.15 2.79 0.04 -1.26 -3.98 135.00 136.77 1mjg s PRO 329 Ca 0.70 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1mjg s PRO 329 Cb -0.43 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1mjg s PRO 329 CO 0.31 -0.97 0.31 -0.51 0.04 0.00 0.00 177.00 176.19 1mjg s LEU 330 N -4.34 4.26 -0.15 -3.56 1.43 -0.86 -0.58 118.68 114.88 1mjg s LEU 330 Ca 0.68 0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 54.09 1mjg s LEU 330 Cb -0.20 -2.41 -0.25 0.00 0.03 0.00 0.00 46.19 43.36 1mjg s LEU 330 CO 0.34 0.10 0.61 0.58 0.23 0.00 0.00 176.35 178.22 1mjg h VAL 331 N 4.64 1.46 -2.71 -1.59 2.07 -1.20 0.26 116.25 119.18 1mjg h VAL 331 Ca -0.42 -2.33 0.10 0.00 0.82 0.00 0.00 66.70 64.87 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 0.55 0.48 0.28 0.02 0.00 0.00 177.57 179.65 1mjg s THR 332 N -2.30 0.00 0.26 2.57 -1.32 -1.25 -1.08 115.64 112.52 1mjg s THR 332 Ca -0.21 -0.73 0.03 0.00 -1.21 0.00 0.00 61.69 59.57 1mjg s THR 332 Cb 0.00 -2.91 0.03 0.00 -1.51 0.00 0.00 72.50 68.11 1mjg s THR 332 CO 0.69 0.00 0.26 -1.54 -2.21 0.00 0.00 174.62 171.81 1mjg n SER 333 N -1.31 1.51 -0.07 8.08 3.41 -1.26 -3.97 113.62 120.01 1mjg n SER 333 Ca -0.05 -1.83 -0.04 0.00 -0.26 0.00 0.00 58.87 56.70 1mjg n SER 333 Cb 0.60 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.38 -0.57 -0.64 7.33 3.57 -1.94 -2.88 116.94 122.19 1mjg h PHE 334 Ca -0.15 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.57 1mjg h PHE 334 Cb 0.59 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1mjg h PHE 334 CO 0.00 -0.15 0.53 0.00 -2.23 0.00 0.00 178.31 176.47 1mjg h ALA 335 N -0.77 2.51 -0.31 2.41 0.00 -1.97 -2.40 119.26 118.72 1mjg h ALA 335 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 335 Cb 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1mjg h ALA 335 CO -0.23 -0.86 0.01 -1.13 0.00 0.00 0.00 179.25 177.04 1mjg n SER 336 N -4.06 4.04 -0.15 0.00 3.41 -1.10 -4.69 113.62 111.07 1mjg n SER 336 Ca 0.13 -3.06 0.07 0.00 -0.26 0.00 0.00 58.87 55.75 1mjg n SER 336 Cb 0.78 -0.57 0.38 0.00 -0.26 0.00 0.00 64.21 64.53 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 2.02 0.67 -0.45 4.33 3.07 -1.27 -1.94 115.11 121.53 1mjg h GLN 337 Ca 0.02 -0.04 -0.14 0.00 0.09 0.00 0.00 58.65 58.58 1mjg h GLN 337 Cb 1.55 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.95 1mjg h GLN 337 CO 0.28 0.44 -0.27 0.93 0.09 0.00 0.00 178.83 180.30 1mjg h GLU 338 N 0.69 0.97 0.00 0.06 5.08 -1.85 -3.05 114.58 116.48 1mjg h GLU 338 Ca 0.29 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1mjg h GLU 338 Cb 0.28 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1mjg h GLU 338 CO -0.09 1.11 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.90 1mjg h LEU 339 N 0.82 0.00 -1.10 1.33 3.38 -1.70 -0.56 115.31 117.49 1mjg h LEU 339 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1mjg h LEU 339 Cb 0.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1mjg h LEU 339 CO 0.07 0.06 0.48 0.00 0.09 0.00 0.00 178.44 179.14 1mjg h ALA 340 N 1.94 1.32 -0.16 1.53 0.00 -1.40 -0.98 119.26 121.51 1mjg h ALA 340 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1mjg h ALA 340 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1mjg h ALA 340 CO 0.01 0.58 -0.39 0.82 0.00 0.00 0.00 179.25 180.27 1mjg h ILE 341 N 1.12 1.30 0.00 0.00 2.04 -1.20 -2.70 117.51 118.06 1mjg h ILE 341 Ca 0.29 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1mjg h ILE 341 Cb -0.03 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1mjg h ILE 341 CO -0.05 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.55 1mjg h THR 343 N 0.00 0.00 0.00 0.00 1.35 -1.39 -3.45 112.91 109.41 1mjg h THR 343 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1mjg h THR 343 Cb 0.09 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1mjg h THR 343 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1mjg n GLY 344 N 0.31 0.84 0.74 5.82 0.00 -0.33 -0.78 105.19 111.78 1mjg n GLY 344 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.62 4.61 0.00 -1.26 -4.79 120.51 119.90 1mjg n ALA 345 Ca 0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 53.44 52.31 1mjg n ALA 345 Cb 0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.44 4.46 0.04 0.00 -1.09 -1.26 -4.35 121.20 117.57 1mjg s ILE 346 Ca 0.22 1.40 0.09 0.00 -2.23 0.00 0.00 60.65 60.13 1mjg s ILE 346 Cb 0.15 -4.43 -0.22 0.00 -1.58 0.00 0.00 42.46 36.38 1mjg s ILE 346 CO 0.23 -0.64 0.99 0.44 -1.23 0.00 0.00 174.94 174.73 1mjg h ASP 347 N 8.53 0.01 -3.78 3.58 3.32 -1.59 -3.40 116.42 123.08 1mjg h ASP 347 Ca -0.22 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1mjg h ASP 347 Cb 1.07 -0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.40 1mjg h ASP 347 CO 1.04 1.01 0.13 0.00 -1.72 0.00 0.00 179.24 179.70 1mjg s ALA 348 N -2.66 -1.81 -0.29 3.45 0.00 -1.13 -2.38 121.76 116.93 1mjg s ALA 348 Ca -0.02 2.09 0.03 0.00 0.00 0.00 0.00 51.96 54.06 1mjg s ALA 348 Cb 0.09 -1.24 0.08 0.00 0.00 0.00 0.00 23.12 22.05 1mjg s ALA 348 CO 0.82 -0.34 -0.02 1.41 0.00 0.00 0.00 175.76 177.63 1mjg s MET 349 N 0.58 1.73 -0.21 0.00 1.75 -0.32 -0.06 119.30 122.77 1mjg s MET 349 Ca -0.02 -1.50 -0.15 0.00 -1.25 0.00 0.00 55.69 52.77 1mjg s MET 349 Cb -0.05 -2.92 -0.04 0.00 2.84 0.00 0.00 34.83 34.66 1mjg s MET 349 CO -0.03 -0.76 0.38 0.00 -0.65 0.00 0.00 175.02 173.96 1mjg s VAL 351 N 1.39 1.54 0.00 0.00 0.11 0.42 -1.87 120.40 121.99 1mjg s VAL 351 Ca 0.18 -1.82 0.00 0.00 -2.93 0.00 0.00 61.98 57.41 1mjg s VAL 351 Cb -0.15 -1.68 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1mjg s VAL 351 CO 0.08 -0.39 0.00 -0.90 -3.33 0.00 0.00 175.10 170.56 1mjg n ASP 352 N 0.39 0.00 -4.09 3.54 5.68 -1.13 -2.01 116.55 118.93 1mjg n ASP 352 Ca -0.14 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.05 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 0.00 0.42 0.19 2.12 -7.23 -1.26 -4.40 120.40 110.24 1mjg s VAL 353 Ca 0.00 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1mjg s VAL 353 Cb 0.00 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1mjg s VAL 353 CO 0.00 -0.71 0.00 0.00 -0.31 0.00 0.00 175.10 174.08 1mjg n GLN 354 N 0.70 -2.57 -2.96 4.82 6.02 -1.26 -2.92 117.38 119.21 1mjg n GLN 354 Ca -0.18 1.85 -0.22 0.00 -0.01 0.00 0.00 57.00 58.45 1mjg n GLN 354 Cb 0.58 -2.04 0.03 0.00 1.02 0.00 0.00 30.24 29.82 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 -3.14 4.32 -0.25 0.00 1.01 -1.26 -4.95 121.20 116.93 1mjg s ILE 356 Ca 0.27 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1mjg s ILE 356 Cb -0.12 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1mjg s ILE 356 CO 0.33 -0.16 1.76 -0.04 0.00 0.00 0.00 174.94 176.83 1mjg s MET 357 N 1.52 3.58 0.38 2.79 -1.94 -1.26 -4.84 119.30 119.53 1mjg s MET 357 Ca 0.01 1.66 0.26 0.00 -1.71 0.00 0.00 55.69 55.91 1mjg s MET 357 Cb -0.19 -4.13 1.38 0.00 2.01 0.00 0.00 34.83 33.90 1mjg s MET 357 CO 0.05 -1.56 1.80 -1.00 -0.01 0.00 0.00 175.02 174.30 1mjg h PRO 358 N 11.90 0.00 0.00 2.03 0.13 -1.98 -1.81 132.00 142.26 1mjg h PRO 358 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1mjg h PRO 358 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1mjg h PRO 358 CO 1.01 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.65 1mjg n SER 359 N -2.42 0.16 0.29 1.44 3.41 -1.26 -2.69 113.62 112.55 1mjg n SER 359 Ca -0.01 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 1mjg n SER 359 Cb 0.07 -0.58 0.84 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.19 -1.33 3.07 -1.72 -0.09 117.51 117.89 1mjg h ILE 360 Ca 0.00 -0.07 -0.18 0.00 1.55 0.00 0.00 64.86 66.17 1mjg h ILE 360 Cb 0.19 1.04 -0.00 0.00 -0.27 0.00 0.00 36.82 37.78 1mjg h ILE 360 CO 0.00 0.02 -0.59 0.77 -1.05 0.00 0.00 178.15 177.29 1mjg h SER 361 N 0.00 0.72 0.07 2.16 4.64 -1.78 0.22 113.55 119.59 1mjg h SER 361 Ca -0.00 -0.40 -0.18 0.00 -0.47 0.00 0.00 61.79 60.73 1mjg h SER 361 Cb 0.04 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1mjg h SER 361 CO 0.00 1.15 -0.67 0.00 -0.87 0.00 0.00 176.83 176.44 1mjg h ALA 362 N 0.86 0.57 -0.20 5.18 0.00 -1.39 -2.48 119.26 121.80 1mjg h ALA 362 Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1mjg h ALA 362 Cb 1.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1mjg h ALA 362 CO 0.12 0.72 -0.29 0.28 0.00 0.00 0.00 179.25 180.07 1mjg h VAL 363 N 0.40 1.33 0.00 0.00 2.07 -0.99 -3.08 116.25 115.99 1mjg h VAL 363 Ca -0.02 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 1mjg h VAL 363 Cb 1.25 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1mjg h VAL 363 CO 0.12 0.46 -0.02 0.00 0.02 0.00 0.00 177.57 178.15 1mjg h ALA 364 N 0.61 1.93 0.00 1.67 0.00 -0.54 -1.31 119.26 121.62 1mjg h ALA 364 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 364 Cb 0.87 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1mjg h ALA 364 CO 0.07 0.03 -0.03 1.49 0.00 0.00 0.00 179.25 180.81 1mjg h GLU 365 N 0.00 0.00 0.00 0.00 4.81 -1.34 -0.13 114.58 117.92 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 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1mjg h GLU 365 CO 0.00 0.03 -0.20 0.00 -0.73 0.00 0.00 179.01 178.11 1mjg n TYR 367 N -2.41 0.00 -3.24 0.00 4.02 -0.32 -5.02 117.16 110.20 1mjg n TYR 367 Ca 0.04 -0.36 -0.23 0.00 -0.01 0.00 0.00 57.90 57.34 1mjg n TYR 367 Cb 0.46 -0.04 0.04 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 -0.37 -2.20 -3.52 -0.72 8.25 -0.21 -4.99 115.22 111.45 1mjg n HIS 368 Ca 0.00 0.66 -0.34 0.00 -0.26 0.00 0.00 57.72 57.78 1mjg n HIS 368 Cb 0.32 -4.49 -0.05 0.00 1.12 0.00 0.00 29.99 26.89 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 -3.20 5.04 -0.25 1.59 2.01 -1.08 -4.94 115.64 114.80 1mjg s THR 369 Ca 0.40 0.51 -0.17 0.00 0.31 0.00 0.00 61.69 62.75 1mjg s THR 369 Cb -0.18 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1mjg s THR 369 CO 0.50 0.25 0.45 -0.13 -0.69 0.00 0.00 174.62 174.99 1mjg s ARG 370 N -2.01 4.07 -0.17 4.92 1.81 -1.00 -4.69 118.95 121.88 1mjg s ARG 370 Ca 0.35 0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 54.46 1mjg s ARG 370 Cb -0.14 -3.63 -0.05 0.00 -0.45 0.00 0.00 34.95 30.68 1mjg s ARG 370 CO 0.19 -0.28 0.24 0.42 -0.68 0.00 0.00 175.30 175.19 1mjg s ILE 371 N 2.07 5.34 -0.20 1.52 -1.09 -1.26 -1.18 121.20 126.40 1mjg s ILE 371 Ca 0.19 0.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1mjg s ILE 371 Cb -0.16 -3.58 0.05 0.00 -1.58 0.00 0.00 42.46 37.20 1mjg s ILE 371 CO 0.09 0.42 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.53 1mjg s ILE 372 N 0.33 1.32 0.33 2.92 1.01 -0.56 -1.25 121.20 125.31 1mjg s ILE 372 Ca 0.14 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1mjg s ILE 372 Cb -0.12 -1.53 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 1mjg s ILE 372 CO 0.02 0.05 0.63 0.42 0.00 0.00 0.00 174.94 176.06 1mjg s THR 373 N 1.52 4.93 0.00 2.92 -4.23 0.09 -0.43 115.64 120.44 1mjg s THR 373 Ca -0.02 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1mjg s THR 373 Cb -0.17 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1mjg s THR 373 CO -0.07 -0.39 0.00 0.35 -0.54 0.00 0.00 174.62 173.97 1mjg n THR 374 N -1.04 0.00 -3.77 3.99 -2.24 -0.85 -1.11 114.28 109.26 1mjg n THR 374 Ca -0.00 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.34 1mjg n THR 374 Cb 0.54 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.32 3.84 -0.97 6.98 0.00 -1.26 -2.62 121.76 127.41 1mjg s ALA 375 Ca 0.00 -0.55 0.18 0.00 0.00 0.00 0.00 51.96 51.60 1mjg s ALA 375 Cb 0.00 -2.07 0.77 0.00 0.00 0.00 0.00 23.12 21.82 1mjg s ALA 375 CO 0.00 0.61 1.58 -0.40 0.00 0.00 0.00 175.76 177.55 1mjg n ASP 376 N 1.64 0.05 -0.75 0.00 5.68 -1.26 -2.74 116.55 119.17 1mjg n ASP 376 Ca -0.16 0.51 0.07 0.00 -0.50 0.00 0.00 54.79 54.72 1mjg n ASP 376 Cb 0.54 -0.52 0.21 0.00 -1.14 0.00 0.00 41.12 40.21 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 -1.55 3.46 -3.20 -1.12 2.04 -1.26 -4.79 115.26 108.84 1mjg n ASN 377 Ca 0.04 -2.68 -0.12 0.00 -0.44 0.00 0.00 54.58 51.38 1mjg n ASN 377 Cb 0.21 -0.43 -0.05 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 -2.22 -0.96 0.18 -2.53 0.00 -1.11 -5.05 121.76 110.07 1mjg s ALA 378 Ca 0.35 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.57 1mjg s ALA 378 Cb 0.26 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1mjg s ALA 378 CO 0.10 -2.16 -0.06 0.15 0.00 0.00 0.00 175.76 173.80 1mjg s LYS 379 N 1.20 2.20 -0.15 0.00 1.02 -1.26 -4.42 119.74 118.33 1mjg s LYS 379 Ca 0.22 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.97 1mjg s LYS 379 Cb -0.07 -2.23 0.05 0.00 -0.52 0.00 0.00 37.83 35.06 1mjg s LYS 379 CO -0.06 0.44 0.01 0.42 -0.92 0.00 0.00 175.35 175.24 1mjg s ILE 380 N -1.75 0.55 0.40 2.17 1.01 -1.26 -5.09 121.20 117.22 1mjg s ILE 380 Ca 0.26 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 1mjg s ILE 380 Cb -0.09 -0.90 -0.10 0.00 0.01 0.00 0.00 42.46 41.38 1mjg s ILE 380 CO 0.17 -0.01 1.30 -2.65 0.00 0.00 0.00 174.94 173.75 1mjg n PRO 381 N 5.06 2.04 0.00 2.79 -0.02 -1.26 -1.36 135.00 142.25 1mjg n PRO 381 Ca -0.09 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1mjg n PRO 381 Cb 0.48 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.77 3.33 3.85 -1.23 0.00 -1.26 -4.89 105.19 105.76 1mjg n GLY 382 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.39 3.80 0.50 4.61 0.00 -0.46 -4.92 121.76 122.90 1mjg s ALA 383 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 1mjg s ALA 383 Cb 0.00 -1.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 1mjg s ALA 383 CO 0.00 0.70 1.27 0.71 0.00 0.00 0.00 175.76 178.45 1mjg s TYR 384 N -1.22 2.57 -0.06 0.00 4.12 -0.38 -4.82 117.35 117.56 1mjg s TYR 384 Ca 0.23 1.44 0.04 0.00 0.02 0.00 0.00 57.07 58.81 1mjg s TYR 384 Cb -0.12 -3.61 -0.00 0.00 -1.52 0.00 0.00 41.96 36.70 1mjg s TYR 384 CO 0.14 -2.26 -0.19 -1.58 0.02 0.00 0.00 175.55 171.68 1mjg s HIS 385 N -1.40 1.96 -0.15 2.71 5.65 -1.26 -0.73 115.29 122.06 1mjg s HIS 385 Ca 0.67 -0.66 0.01 0.00 0.25 0.00 0.00 55.06 55.34 1mjg s HIS 385 Cb -0.35 -1.33 0.01 0.00 -1.18 0.00 0.00 32.58 29.72 1mjg s HIS 385 CO 0.42 -0.25 -0.19 0.42 -0.65 0.00 0.00 174.74 174.49 1mjg s ILE 386 N 0.20 2.29 -1.25 0.89 1.01 -0.26 -4.96 121.20 119.12 1mjg s ILE 386 Ca -0.09 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 1mjg s ILE 386 Cb -0.14 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.45 1mjg s ILE 386 CO 0.04 0.53 1.70 -0.62 0.00 0.00 0.00 174.94 176.60 1mjg s ASP 387 N 0.88 6.72 0.05 3.58 2.15 -1.26 -4.08 116.67 124.72 1mjg s ASP 387 Ca -0.05 -2.26 -0.31 0.00 0.43 0.00 0.00 52.55 50.37 1mjg s ASP 387 Cb -0.15 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 39.81 1mjg s ASP 387 CO -0.02 -1.29 1.66 -0.47 -0.17 0.00 0.00 175.17 174.88 1mjg s TYR 388 N 4.58 2.34 -0.01 -5.34 5.04 -1.08 -5.02 117.35 117.87 1mjg s TYR 388 Ca 0.53 0.29 0.04 0.00 -2.44 0.00 0.00 57.07 55.49 1mjg s TYR 388 Cb 0.03 -3.96 -0.01 0.00 0.35 0.00 0.00 41.96 38.37 1mjg s TYR 388 CO 0.05 -3.90 -0.14 -0.65 -1.34 0.00 0.00 175.55 169.58 1mjg s GLN 389 N 2.84 1.16 0.34 4.97 -0.21 -1.26 -4.94 119.66 122.56 1mjg s GLN 389 Ca 0.74 -0.49 0.07 0.00 0.02 0.00 0.00 55.36 55.69 1mjg s GLN 389 Cb -0.39 -1.11 0.74 0.00 1.00 0.00 0.00 33.01 33.25 1mjg s GLN 389 CO 0.32 0.29 1.89 1.79 -2.12 0.00 0.00 175.29 177.45 1mjg h THR 390 N 4.86 0.90 0.00 -0.19 1.35 -1.95 -1.47 112.91 116.41 1mjg h THR 390 Ca -0.34 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 1mjg h THR 390 Cb 1.16 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1mjg h THR 390 CO 0.49 0.14 -0.05 0.00 -0.25 0.00 0.00 175.52 175.85 1mjg h ALA 391 N 1.58 1.87 -0.42 6.62 0.00 -1.95 -3.09 119.26 123.88 1mjg h ALA 391 Ca 0.42 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 391 Cb 0.55 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 17.99 1mjg h ALA 391 CO -0.19 0.07 -0.89 0.25 0.00 0.00 0.00 179.25 178.49 1mjg n THR 392 N -4.41 1.71 -0.14 0.00 -2.24 -0.68 -4.73 114.28 103.79 1mjg n THR 392 Ca -0.03 -3.18 -0.04 0.00 -2.27 0.00 0.00 64.05 58.53 1mjg n THR 392 Cb 0.14 0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.95 0.44 -0.52 6.98 0.00 -1.22 -2.76 119.26 124.14 1mjg h ALA 393 Ca 0.06 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1mjg h ALA 393 Cb 1.42 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1mjg h ALA 393 CO 0.35 -0.36 0.23 0.97 0.00 0.00 0.00 179.25 180.44 1mjg h ILE 394 N 0.15 0.90 -0.59 0.00 6.09 -1.89 0.31 117.51 122.48 1mjg h ILE 394 Ca 0.22 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.54 1mjg h ILE 394 Cb 0.31 0.41 -0.03 0.00 0.47 0.00 0.00 36.82 37.98 1mjg h ILE 394 CO -0.34 0.08 0.31 -0.33 -3.07 0.00 0.00 178.15 174.81 1mjg h GLU 395 N 0.44 0.83 -0.61 2.19 5.08 -1.91 -1.02 114.58 119.58 1mjg h GLU 395 Ca 0.24 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1mjg h GLU 395 Cb 0.20 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1mjg h GLU 395 CO -0.20 0.65 0.23 0.77 -1.00 0.00 0.00 179.01 179.45 1mjg h SER 396 N 0.80 0.86 -0.41 1.42 0.02 -1.17 -1.17 113.55 113.90 1mjg h SER 396 Ca 0.21 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1mjg h SER 396 Cb 0.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1mjg h SER 396 CO -0.03 0.81 0.26 0.00 -1.14 0.00 0.00 176.83 176.73 1mjg h ALA 397 N 1.08 0.52 -0.53 3.77 0.00 -0.54 -0.82 119.26 122.75 1mjg h ALA 397 Ca 0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1mjg h ALA 397 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1mjg h ALA 397 CO -0.01 -0.00 0.06 0.87 0.00 0.00 0.00 179.25 180.16 1mjg h LYS 398 N 0.55 0.85 -0.55 0.00 1.57 -1.00 -1.32 116.57 116.67 1mjg h LYS 398 Ca 0.15 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1mjg h LYS 398 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1mjg h LYS 398 CO -0.03 0.82 0.29 1.15 -0.57 0.00 0.00 179.45 181.10 1mjg h THR 399 N 0.81 1.19 -0.31 -0.16 2.02 -0.74 0.23 112.91 115.95 1mjg h THR 399 Ca 0.16 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1mjg h THR 399 Cb 0.40 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1mjg h THR 399 CO 0.01 0.21 0.11 0.00 0.37 0.00 0.00 175.52 176.22 1mjg h ALA 400 N 1.12 0.41 -0.75 6.16 0.00 -0.81 -2.08 119.26 123.31 1mjg h ALA 400 Ca 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1mjg h ALA 400 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1mjg h ALA 400 CO -0.03 0.04 0.43 0.82 0.00 0.00 0.00 179.25 180.51 1mjg h ILE 401 N 0.35 1.22 -0.12 0.00 2.04 -1.00 -1.62 117.51 118.39 1mjg h ILE 401 Ca 0.10 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1mjg h ILE 401 Cb 0.23 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1mjg h ILE 401 CO -0.00 0.24 -0.08 0.03 0.00 0.00 0.00 178.15 178.33 1mjg h ARG 402 N 1.04 0.18 -0.57 2.37 3.08 -0.77 -0.21 114.38 119.49 1mjg h ARG 402 Ca 0.27 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 1mjg h ARG 402 Cb 0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1mjg h ARG 402 CO -0.05 0.27 -0.03 0.52 -1.07 0.00 0.00 179.97 179.61 1mjg h MET 403 N 0.17 1.03 -0.67 0.04 2.86 -0.60 -1.74 114.93 116.02 1mjg h MET 403 Ca 0.04 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 1mjg h MET 403 Cb 0.26 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1mjg h MET 403 CO 0.01 1.04 0.18 0.00 1.06 0.00 0.00 176.91 179.20 1mjg h ALA 404 N 0.96 0.89 -0.78 6.32 0.00 -0.51 -1.56 119.26 124.58 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 0.59 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1mjg h ALA 404 CO 0.04 0.59 0.37 0.82 0.00 0.00 0.00 179.25 181.07 1mjg h ILE 405 N 1.00 1.25 -0.68 0.00 2.04 -0.81 0.03 117.51 120.33 1mjg h ILE 405 Ca 0.21 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 1mjg h ILE 405 Cb 0.34 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1mjg h ILE 405 CO -0.00 0.29 0.16 -0.33 0.00 0.00 0.00 178.15 178.27 1mjg h GLU 406 N 1.10 1.09 -0.09 2.37 4.39 -1.03 -1.90 114.58 120.51 1mjg h GLU 406 Ca 0.27 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1mjg h GLU 406 Cb 0.12 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1mjg h GLU 406 CO -0.03 0.97 -0.20 0.00 -1.16 0.00 0.00 179.01 178.59 1mjg h ALA 407 N 1.13 1.49 0.14 3.43 0.00 -0.59 -2.21 119.26 122.65 1mjg h ALA 407 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mjg h ALA 407 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1mjg h ALA 407 CO 0.00 0.36 -0.07 0.35 0.00 0.00 0.00 179.25 179.90 1mjg h PHE 408 N 0.15 -0.17 -0.31 0.00 3.57 -0.27 -1.75 116.94 118.16 1mjg h PHE 408 Ca 0.03 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1mjg h PHE 408 Cb 0.44 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 1mjg h PHE 408 CO 0.00 0.12 -0.09 0.87 -2.23 0.00 0.00 178.31 176.98 1mjg h LYS 409 N -0.46 -0.02 -0.34 1.11 1.57 -1.13 -0.20 116.57 117.10 1mjg h LYS 409 Ca -0.02 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1mjg h LYS 409 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1mjg h LYS 409 CO 0.03 -0.01 0.23 0.93 -0.57 0.00 0.00 179.45 180.06 1mjg h GLU 410 N -0.02 0.34 -0.33 3.15 5.08 -1.37 -0.33 114.58 121.10 1mjg h GLU 410 Ca 0.15 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1mjg h GLU 410 Cb 0.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1mjg h GLU 410 CO -0.33 0.23 -0.04 -0.09 -1.00 0.00 0.00 179.01 177.78 1mjg h ARG 411 N 0.35 0.61 0.17 2.33 2.43 -0.14 -3.16 114.38 116.96 1mjg h ARG 411 Ca 0.14 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1mjg h ARG 411 Cb 0.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1mjg h ARG 411 CO -0.03 0.76 -0.08 0.87 -1.51 0.00 0.00 179.97 179.98 1mjg h LYS 412 N 0.39 -0.22 0.00 0.20 1.79 -0.36 -3.27 116.57 115.11 1mjg h LYS 412 Ca 0.09 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1mjg h LYS 412 Cb 0.52 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1mjg h LYS 412 CO 0.02 0.21 0.26 1.05 -1.08 0.00 0.00 179.45 179.91 1mjg h GLU 413 N -0.80 0.00 -5.98 3.15 4.11 -1.20 -3.42 114.58 110.45 1mjg h GLU 413 Ca -0.02 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.85 1mjg h GLU 413 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1mjg h GLU 413 CO 0.04 0.00 -0.38 -1.54 0.07 0.00 0.00 179.01 177.20 1mjg s SER 414 N -4.42 4.69 -0.94 3.06 1.04 -1.19 -5.03 113.70 110.90 1mjg s SER 414 Ca -0.03 -1.07 -0.24 0.00 0.48 0.00 0.00 55.95 55.08 1mjg s SER 414 Cb 0.09 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.17 1mjg s SER 414 CO 0.28 -0.83 1.41 0.21 0.98 0.00 0.00 173.24 175.28 1mjg s ASN 415 N -4.14 6.40 -0.63 7.02 3.04 -1.26 -4.92 114.94 120.45 1mjg s ASN 415 Ca 0.39 -1.17 -0.24 0.00 0.04 0.00 0.00 52.86 51.87 1mjg s ASN 415 Cb -0.01 -2.57 0.05 0.00 -1.54 0.00 0.00 41.25 37.18 1mjg s ASN 415 CO 0.23 -1.61 1.03 0.00 -3.04 0.00 0.00 177.10 173.72 1mjg s ARG 416 N 5.20 3.24 -1.24 0.43 1.70 -1.25 -4.95 118.95 122.08 1mjg s ARG 416 Ca 0.43 -0.43 -0.19 0.00 -0.47 0.00 0.00 55.73 55.07 1mjg s ARG 416 Cb -0.02 -4.14 0.05 0.00 -0.57 0.00 0.00 34.95 30.27 1mjg s ARG 416 CO -0.03 -1.75 1.71 -1.25 -1.08 0.00 0.00 175.30 172.90 1mjg s PRO 417 N 4.41 3.77 0.06 3.89 0.04 -1.26 -4.94 135.00 140.98 1mjg s PRO 417 Ca 0.29 -1.76 -0.22 0.00 0.04 0.00 0.00 61.00 59.35 1mjg s PRO 417 Cb -0.13 -5.48 -0.06 0.00 0.04 0.00 0.00 34.50 28.87 1mjg s PRO 417 CO 0.16 -2.42 0.67 0.08 0.04 0.00 0.00 177.00 175.53 1mjg s VAL 418 N 5.03 4.71 -0.10 -0.36 1.01 -1.26 -4.74 120.40 124.69 1mjg s VAL 418 Ca 0.54 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 1mjg s VAL 418 Cb 0.03 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.43 1mjg s VAL 418 CO 0.05 0.46 0.03 -0.47 0.00 0.00 0.00 175.10 175.17 1mjg s TYR 419 N -0.57 0.60 -0.24 5.22 5.04 0.04 -5.04 117.35 122.40 1mjg s TYR 419 Ca 0.33 -0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.72 1mjg s TYR 419 Cb -0.20 -0.79 0.05 0.00 0.35 0.00 0.00 41.96 41.37 1mjg s TYR 419 CO 0.21 -0.39 -0.12 0.42 -1.34 0.00 0.00 175.55 174.34 1mjg s ILE 420 N 2.00 2.03 -0.00 3.14 1.01 -1.26 -4.40 121.20 123.72 1mjg s ILE 420 Ca 0.03 -1.43 -0.35 0.00 0.00 0.00 0.00 60.65 58.91 1mjg s ILE 420 Cb -0.14 -2.11 -0.13 0.00 0.01 0.00 0.00 42.46 40.09 1mjg s ILE 420 CO -0.06 0.06 1.74 -2.65 0.00 0.00 0.00 174.94 174.03 1mjg n PRO 421 N 4.51 2.05 -1.38 2.79 -0.02 -1.26 -4.79 135.00 136.90 1mjg n PRO 421 Ca -0.15 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1mjg n PRO 421 Cb 0.44 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 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 5.19 3.47 -4.69 -0.52 1.13 -1.26 -2.49 117.38 118.22 1mjg n GLN 422 Ca 0.21 -2.21 -0.29 0.00 -1.94 0.00 0.00 57.00 52.77 1mjg n GLN 422 Cb 0.28 -2.58 -0.17 0.00 0.11 0.00 0.00 30.24 27.88 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 1.11 1.61 -0.13 5.09 1.01 -1.26 -4.91 121.20 123.72 1mjg s ILE 423 Ca 0.66 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 1mjg s ILE 423 Cb 0.22 -1.44 0.11 0.00 0.01 0.00 0.00 42.46 41.36 1mjg s ILE 423 CO -0.06 0.46 0.91 -1.59 0.00 0.00 0.00 174.94 174.66 1mjg s LYS 424 N 0.75 0.72 0.13 2.79 -2.85 -1.26 0.07 119.74 120.09 1mjg s LYS 424 Ca -0.11 0.16 0.08 0.00 -1.00 0.00 0.00 55.97 55.10 1mjg s LYS 424 Cb -0.16 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1mjg s LYS 424 CO 0.02 -0.23 -0.19 -0.80 0.10 0.00 0.00 175.35 174.26 1mjg s ASN 425 N -1.17 2.50 0.38 0.03 0.01 -0.61 -4.95 114.94 111.13 1mjg s ASN 425 Ca -0.04 -0.78 -0.26 0.00 -0.71 0.00 0.00 52.86 51.08 1mjg s ASN 425 Cb -0.00 -0.14 -0.09 0.00 0.41 0.00 0.00 41.25 41.43 1mjg s ASN 425 CO 0.03 -0.01 1.14 -0.60 -1.51 0.00 0.00 177.10 176.15 1mjg s ARG 426 N -2.40 4.16 -0.00 -0.60 3.52 -1.26 -1.62 118.95 120.74 1mjg s ARG 426 Ca 0.11 1.79 0.03 0.00 -0.13 0.00 0.00 55.73 57.52 1mjg s ARG 426 Cb -0.07 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.57 1mjg s ARG 426 CO 0.05 -0.21 -0.09 0.08 -0.81 0.00 0.00 175.30 174.32 1mjg s VAL 427 N -1.41 0.72 -0.14 7.11 1.01 0.94 -3.74 120.40 124.89 1mjg s VAL 427 Ca 0.55 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1mjg s VAL 427 Cb -0.30 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1mjg s VAL 427 CO 0.37 0.18 -0.19 -0.69 0.00 0.00 0.00 175.10 174.77 1mjg s VAL 428 N -0.27 1.85 0.00 2.92 1.01 -0.45 -0.44 120.40 125.02 1mjg s VAL 428 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1mjg s VAL 428 Cb -0.04 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.67 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 4.35 0.00 -1.25 5.51 0.00 -0.23 -4.57 120.51 124.32 1mjg n ALA 429 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 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 0.09 0.61 3.20 0.00 0.00 -1.24 -0.52 105.19 107.33 1mjg n GLY 430 Ca 0.00 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.14 4.09 -1.43 1.61 7.02 -0.84 -2.75 117.44 122.00 1mjg n TRP 431 Ca 0.00 -3.04 -0.29 0.00 -1.02 0.00 0.00 57.50 53.15 1mjg n TRP 431 Cb 0.23 -2.24 0.13 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 2.48 3.62 0.36 -0.99 1.04 -1.26 -4.28 113.70 114.67 1mjg s SER 432 Ca 0.44 1.17 0.07 0.00 0.48 0.00 0.00 55.95 58.11 1mjg s SER 432 Cb 0.04 -1.83 0.70 0.00 0.10 0.00 0.00 66.02 65.04 1mjg s SER 432 CO 0.00 -2.51 1.91 0.25 0.98 0.00 0.00 173.24 173.87 1mjg h LEU 433 N -1.46 0.37 -0.79 2.42 5.85 -1.92 -1.60 115.31 118.18 1mjg h LEU 433 Ca -0.50 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1mjg h LEU 433 Cb 1.31 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1mjg h LEU 433 CO 0.59 0.47 0.47 -0.33 -0.34 0.00 0.00 178.44 179.30 1mjg h GLU 434 N 0.38 1.08 -0.39 1.25 3.07 -1.91 0.11 114.58 118.17 1mjg h GLU 434 Ca 0.08 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 1mjg h GLU 434 Cb 0.32 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1mjg h GLU 434 CO 0.01 0.77 -0.10 0.00 -1.40 0.00 0.00 179.01 178.29 1mjg h ALA 435 N 1.25 0.54 -0.62 3.43 0.00 -1.64 -1.02 119.26 121.21 1mjg h ALA 435 Ca 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1mjg h ALA 435 Cb -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1mjg h ALA 435 CO -0.05 0.41 0.29 -0.07 0.00 0.00 0.00 179.25 179.83 1mjg h LEU 436 N 0.57 0.81 -0.57 0.00 3.38 -1.01 -1.41 115.31 117.08 1mjg h LEU 436 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1mjg h LEU 436 Cb 0.62 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1mjg h LEU 436 CO 0.04 0.72 0.34 0.74 0.09 0.00 0.00 178.44 180.36 1mjg h THR 437 N 0.85 1.17 -0.95 0.22 2.02 -0.62 0.44 112.91 116.05 1mjg h THR 437 Ca 0.21 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1mjg h THR 437 Cb 0.13 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 1mjg h THR 437 CO -0.03 0.18 0.57 0.50 0.37 0.00 0.00 175.52 177.11 1mjg h LYS 438 N 0.77 1.29 -0.01 6.66 1.63 -0.90 0.59 116.57 126.59 1mjg h LYS 438 Ca 0.20 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1mjg h LYS 438 Cb -0.00 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 31.36 1mjg h LYS 438 CO -0.04 0.90 0.00 1.25 -3.45 0.00 0.00 179.45 178.12 1mjg h LEU 439 N 1.31 0.02 -1.39 5.20 5.85 -0.47 -2.90 115.31 122.93 1mjg h LEU 439 Ca 0.34 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1mjg h LEU 439 Cb -0.05 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1mjg h LEU 439 CO -0.06 0.18 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.88 1mjg h LEU 440 N -0.15 0.06 -2.49 2.25 3.38 -0.69 -2.70 115.31 114.97 1mjg h LEU 440 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mjg h LEU 440 Cb 0.17 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1mjg h LEU 440 CO -0.00 0.33 -0.02 0.00 0.09 0.00 0.00 178.44 178.84 1mjg h ALA 441 N 1.68 1.10 0.00 1.53 0.00 -0.67 -1.32 119.26 121.58 1mjg h ALA 441 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 441 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1mjg h ALA 441 CO 0.04 0.02 0.00 1.79 0.00 0.00 0.00 179.25 181.10 1mjg h THR 442 N 0.00 0.00 0.02 0.00 1.35 -1.45 -2.26 112.91 110.56 1mjg h THR 442 Ca -0.00 -0.37 -0.38 0.00 -0.55 0.00 0.00 66.41 65.11 1mjg h THR 442 Cb 0.14 1.26 -0.06 0.00 -1.73 0.00 0.00 68.15 67.76 1mjg h THR 442 CO 0.00 0.00 -2.37 0.00 -0.25 0.00 0.00 175.52 172.90 1mjg n GLN 443 N -2.75 0.67 -3.37 4.72 1.13 -0.53 -4.77 117.38 112.49 1mjg n GLN 443 Ca 0.01 0.14 -0.17 0.00 -1.94 0.00 0.00 57.00 55.04 1mjg n GLN 443 Cb 0.26 -1.55 -0.08 0.00 0.11 0.00 0.00 30.24 28.98 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 -6.37 1.27 0.41 1.08 3.84 -1.03 -5.02 114.94 109.12 1mjg s ASN 444 Ca -0.27 -1.30 0.17 0.00 0.21 0.00 0.00 52.86 51.67 1mjg s ASN 444 Cb 0.08 0.57 0.88 0.00 -0.55 0.00 0.00 41.25 42.23 1mjg s ASN 444 CO 0.68 -0.30 1.87 0.00 -2.79 0.00 0.00 177.10 176.55 1mjg h ALA 445 N 7.44 1.29 -0.27 1.71 0.00 -1.68 -2.12 119.26 125.62 1mjg h ALA 445 Ca -0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1mjg h ALA 445 Cb 1.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1mjg h ALA 445 CO 0.24 0.39 -0.47 1.96 0.00 0.00 0.00 179.25 181.37 1mjg h GLN 446 N 0.00 0.80 -2.19 0.00 7.50 -1.95 -3.39 115.11 115.88 1mjg h GLN 446 Ca -0.00 -0.49 -0.57 0.00 0.50 0.00 0.00 58.65 58.09 1mjg h GLN 446 Cb 0.63 0.05 -0.38 0.00 0.05 0.00 0.00 27.48 27.84 1mjg h GLN 446 CO 0.04 1.12 -1.00 -1.71 -1.50 0.00 0.00 178.83 175.78 1mjg n ASN 447 N -4.10 -0.39 -0.19 1.46 2.85 -1.18 -5.03 115.26 108.68 1mjg n ASN 447 Ca -0.05 -2.49 -0.05 0.00 -0.11 0.00 0.00 54.58 51.88 1mjg n ASN 447 Cb 0.58 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 41.11 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 5.09 -0.17 -0.08 1.20 0.11 -1.59 -1.37 132.00 135.18 1mjg h PRO 448 Ca 0.20 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.34 1mjg h PRO 448 Cb 0.91 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1mjg h PRO 448 CO 0.39 -0.11 0.09 0.97 -0.21 0.00 0.00 178.00 179.13 1mjg h ILE 449 N -0.17 0.53 -0.09 4.15 6.09 -1.91 -1.35 117.51 124.76 1mjg h ILE 449 Ca 0.22 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.72 1mjg h ILE 449 Cb 0.55 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 38.76 1mjg h ILE 449 CO -0.66 0.00 0.06 -0.09 -3.07 0.00 0.00 178.15 174.39 1mjg h ARG 450 N 0.00 0.10 -0.77 2.19 9.65 -1.62 -1.57 114.38 122.36 1mjg h ARG 450 Ca 0.04 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1mjg h ARG 450 Cb 0.22 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.72 1mjg h ARG 450 CO -0.00 0.06 0.46 0.28 2.80 0.00 0.00 179.97 183.57 1mjg h VAL 451 N 0.10 1.01 -0.03 0.20 2.07 -1.34 0.38 116.25 118.64 1mjg h VAL 451 Ca 0.03 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1mjg h VAL 451 Cb 0.01 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1mjg h VAL 451 CO -0.01 0.15 -0.15 0.25 0.02 0.00 0.00 177.57 177.84 1mjg h LEU 452 N 0.84 0.18 -0.32 2.57 5.85 -1.47 -2.93 115.31 120.03 1mjg h LEU 452 Ca 0.34 -0.66 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1mjg h LEU 452 Cb 0.17 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1mjg h LEU 452 CO -0.17 0.82 0.18 0.78 -0.34 0.00 0.00 178.44 179.71 1mjg h ASN 453 N -0.44 0.30 -0.88 1.25 2.35 -1.05 -2.55 115.58 114.56 1mjg h ASN 453 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1mjg h ASN 453 Cb 0.81 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 1mjg h ASN 453 CO 0.03 0.22 0.54 -0.61 -1.65 0.00 0.00 177.43 175.96 1mjg h GLN 454 N 0.38 1.18 -0.08 0.81 5.75 -0.35 0.69 115.11 123.49 1mjg h GLN 454 Ca 0.13 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1mjg h GLN 454 Cb 0.00 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.29 1mjg h GLN 454 CO -0.06 0.81 -0.13 0.00 -2.65 0.00 0.00 178.83 176.80 1mjg h ALA 455 N 1.39 1.63 0.04 3.38 0.00 -1.29 0.31 119.26 124.72 1mjg h ALA 455 Ca 0.32 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 455 Cb -0.08 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mjg h ALA 455 CO -0.06 0.27 -0.56 0.82 0.00 0.00 0.00 179.25 179.72 1mjg h ILE 456 N 0.12 1.50 -0.60 0.00 2.04 -0.85 0.30 117.51 120.02 1mjg h ILE 456 Ca 0.02 -2.19 -0.04 0.00 1.00 0.00 0.00 64.86 63.65 1mjg h ILE 456 Cb 0.31 2.84 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1mjg h ILE 456 CO 0.02 0.62 0.21 -0.07 0.00 0.00 0.00 178.15 178.94 1mjg h LEU 457 N -0.31 0.81 -1.08 1.44 3.38 -0.50 -2.26 115.31 116.78 1mjg h LEU 457 Ca -0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1mjg h LEU 457 Cb 1.33 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mjg h LEU 457 CO 0.11 0.75 0.00 0.44 0.09 0.00 0.00 178.44 179.82 1mjg h ASP 458 N 0.86 0.00 0.00 -0.43 3.32 -0.46 -3.46 116.42 116.25 1mjg h ASP 458 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1mjg h ASP 458 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1mjg h ASP 458 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 1mjg n GLY 459 N 0.26 0.57 0.27 2.75 0.00 -0.85 -4.95 105.19 103.23 1mjg n GLY 459 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 4.80 0.80 -6.86 1.61 4.81 -1.22 -3.43 114.58 115.08 1mjg h GLU 460 Ca 0.00 -0.32 -0.69 0.00 -0.13 0.00 0.00 59.36 58.22 1mjg h GLU 460 Cb 0.00 -0.04 -0.23 0.00 0.63 0.00 0.00 28.75 29.11 1mjg h GLU 460 CO 0.00 0.94 -0.87 -0.51 -0.73 0.00 0.00 179.01 177.84 1mjg s LEU 461 N -8.92 2.29 0.39 1.64 1.43 -0.45 -3.96 118.68 111.10 1mjg s LEU 461 Ca -0.09 -0.72 0.23 0.00 -1.03 0.00 0.00 54.13 52.51 1mjg s LEU 461 Cb 0.13 -1.23 0.26 0.00 0.03 0.00 0.00 46.19 45.38 1mjg s LEU 461 CO 0.84 0.19 1.49 0.00 0.23 0.00 0.00 176.35 179.11 1mjg h ALA 462 N 4.07 0.89 0.00 4.21 0.00 -1.10 -3.39 119.26 123.94 1mjg h ALA 462 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1mjg h ALA 462 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mjg h ALA 462 CO 0.40 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1mjg n GLY 463 N 1.12 0.30 3.32 0.00 0.00 -1.26 -4.70 105.19 103.96 1mjg n GLY 463 Ca 0.03 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 2.04 -0.03 1.61 1.01 -0.55 -1.36 120.40 120.16 1mjg s VAL 464 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.74 1mjg s VAL 464 Cb 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.67 1mjg s VAL 464 CO 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 175.10 175.49 1mjg s ALA 465 N -0.72 0.48 -0.21 5.51 0.00 -0.70 -1.49 121.76 124.63 1mjg s ALA 465 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 1mjg s ALA 465 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1mjg s ALA 465 CO 0.01 -0.00 0.05 -1.17 0.00 0.00 0.00 175.76 174.65 1mjg s LEU 466 N 0.72 3.57 -0.29 0.00 2.96 -0.25 -1.13 118.68 124.26 1mjg s LEU 466 Ca -0.08 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1mjg s LEU 466 Cb -0.12 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1mjg s LEU 466 CO -0.01 0.08 0.04 -0.63 -1.32 0.00 0.00 176.35 174.51 1mjg s ILE 467 N 0.94 3.61 0.38 6.68 -1.09 0.25 -0.67 121.20 131.31 1mjg s ILE 467 Ca 0.03 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 57.63 1mjg s ILE 467 Cb -0.14 -2.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 1mjg s ILE 467 CO 0.03 0.08 0.06 0.00 -1.23 0.00 0.00 174.94 173.87 1mjg n GLY 469 N -0.87 3.80 0.00 0.00 0.00 -1.26 -3.69 105.19 103.18 1mjg n GLY 469 Ca -0.06 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 1.98 -4.59 0.00 3.02 -1.07 -4.37 115.26 110.22 1mjg n ASN 471 Ca 0.00 -3.08 -0.43 0.00 -0.03 0.00 0.00 54.58 51.05 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 -1.88 6.39 0.00 6.41 3.84 -0.41 -4.66 114.94 124.63 1mjg s ASN 472 Ca 0.38 0.56 0.01 0.00 0.21 0.00 0.00 52.86 54.02 1mjg s ASN 472 Cb 0.17 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 38.36 1mjg s ASN 472 CO -0.06 -1.44 0.49 0.18 -2.79 0.00 0.00 177.10 173.47 1mjg n LEU 473 N 8.67 0.00 0.28 3.21 4.77 -1.26 -1.97 117.00 130.69 1mjg n LEU 473 Ca 0.14 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.27 1mjg n LEU 473 Cb 0.49 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.39 1mjg n LEU 473 CO 0.71 0.00 1.02 0.11 -1.33 0.00 0.00 177.39 177.90 1mjg h LYS 474 N 0.00 0.00 -6.37 3.23 1.57 -1.90 -3.41 116.57 109.69 1mjg h LYS 474 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 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 0.07 -0.81 0.20 -0.57 0.00 0.00 179.45 178.35 1mjg s GLY 475 N -4.18 1.60 0.27 3.86 0.00 -0.83 -1.82 107.32 106.22 1mjg s GLY 475 Ca -0.03 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 42.80 1mjg s GLY 475 CO 0.55 -1.62 1.63 0.69 0.00 0.00 0.00 173.10 174.34 1mjg n PHE 476 N 0.27 2.84 -1.67 1.90 3.01 -1.26 -4.81 117.46 117.74 1mjg n PHE 476 Ca -0.13 0.20 -0.54 0.00 1.01 0.00 0.00 57.45 58.00 1mjg n PHE 476 Cb 0.56 -2.62 -0.06 0.00 -0.01 0.00 0.00 39.48 37.36 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 2.56 1.42 -0.31 -1.08 7.27 0.44 -1.70 117.38 125.98 1mjg n GLN 477 Ca 0.10 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1mjg n GLN 477 Cb 0.36 -2.23 0.00 0.00 2.41 0.00 0.00 30.24 30.79 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 4.70 0.00 -0.15 1.69 8.00 -1.26 -2.21 116.55 127.32 1mjg n ASP 478 Ca 0.23 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.64 1mjg n ASP 478 Cb 0.19 -0.80 -0.00 0.00 -0.02 0.00 0.00 41.12 40.49 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 0.61 -0.16 -2.24 -1.24 -1.70 -1.42 115.58 109.44 1mjg h ASN 479 Ca 0.00 -0.18 -0.16 0.00 0.71 0.00 0.00 56.30 56.67 1mjg h ASN 479 Cb 0.00 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 1mjg h ASN 479 CO 0.00 0.62 -0.48 0.28 -1.29 0.00 0.00 177.43 176.56 1mjg h SER 480 N 0.57 0.79 -0.13 1.15 0.02 -1.89 -1.12 113.55 112.94 1mjg h SER 480 Ca 0.15 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1mjg h SER 480 Cb 0.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1mjg h SER 480 CO -0.01 1.14 0.07 0.45 -1.14 0.00 0.00 176.83 177.34 1mjg h HIS 481 N 0.57 0.17 -0.06 3.45 3.86 -1.87 -1.41 115.15 119.87 1mjg h HIS 481 Ca 0.03 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1mjg h HIS 481 Cb 1.05 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.46 1mjg h HIS 481 CO 0.05 0.17 0.01 -0.07 0.86 0.00 0.00 177.93 178.95 1mjg h LEU 482 N 0.12 0.09 -0.41 2.43 -0.00 -1.24 -1.41 115.31 114.90 1mjg h LEU 482 Ca 0.05 -0.25 -0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1mjg h LEU 482 Cb 0.05 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 1mjg h LEU 482 CO -0.01 0.32 0.24 0.74 -0.00 0.00 0.00 178.44 179.73 1mjg h THR 483 N -0.15 1.14 -0.18 0.22 2.02 -1.20 -0.35 112.91 114.42 1mjg h THR 483 Ca 0.02 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1mjg h THR 483 Cb 0.27 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 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 0.54 1.14 -0.20 3.16 2.07 -1.26 -2.25 116.25 119.45 1mjg h VAL 484 Ca 0.15 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1mjg h VAL 484 Cb 0.02 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1mjg h VAL 484 CO -0.03 0.14 0.09 0.24 0.02 0.00 0.00 177.57 178.04 1mjg h MET 485 N 0.14 0.29 -0.70 1.57 2.07 -1.08 -1.81 114.93 115.42 1mjg h MET 485 Ca 0.06 -0.04 0.04 0.00 -2.07 0.00 0.00 59.70 57.69 1mjg h MET 485 Cb 0.15 -0.05 -0.05 0.00 -1.87 0.00 0.00 31.60 29.78 1mjg h MET 485 CO -0.01 0.32 0.42 0.87 1.07 0.00 0.00 176.91 179.58 1mjg h LYS 486 N 0.19 0.78 -0.25 1.72 1.57 -1.04 0.53 116.57 120.08 1mjg h LYS 486 Ca 0.07 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1mjg h LYS 486 Cb 0.13 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1mjg h LYS 486 CO -0.01 0.52 -0.33 1.49 -0.57 0.00 0.00 179.45 180.55 1mjg h GLU 487 N 0.80 0.53 -0.13 3.15 4.57 -1.29 -0.79 114.58 121.42 1mjg h GLU 487 Ca 0.29 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 1mjg h GLU 487 Cb 0.08 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1mjg h GLU 487 CO -0.14 0.79 -0.40 -0.07 -1.18 0.00 0.00 179.01 178.01 1mjg h LEU 488 N 0.45 0.59 -0.40 1.64 3.38 -0.87 -2.46 115.31 117.65 1mjg h LEU 488 Ca 0.05 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.45 1mjg h LEU 488 Cb 0.79 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1mjg h LEU 488 CO 0.06 1.08 0.23 -0.07 0.09 0.00 0.00 178.44 179.83 1mjg h LEU 489 N 0.13 0.36 -1.86 1.67 3.38 -0.83 -0.51 115.31 117.66 1mjg h LEU 489 Ca -0.01 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1mjg h LEU 489 Cb 1.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1mjg h LEU 489 CO 0.09 0.26 0.26 0.50 0.09 0.00 0.00 178.44 179.64 1mjg h LYS 490 N 0.46 0.16 -0.76 1.13 3.64 -1.00 -1.35 116.57 118.86 1mjg h LYS 490 Ca 0.16 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.35 1mjg h LYS 490 Cb 0.02 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 31.70 1mjg h LYS 490 CO -0.08 0.11 0.23 0.09 -2.27 0.00 0.00 179.45 177.53 1mjg n ASN 491 N -4.46 4.77 -2.75 4.20 3.02 -0.28 -3.78 115.26 115.98 1mjg n ASN 491 Ca 0.05 -3.10 -0.19 0.00 -0.03 0.00 0.00 54.58 51.32 1mjg n ASN 491 Cb 0.34 -0.73 0.05 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.02 -5.46 -4.75 6.41 3.02 -0.59 -4.42 115.26 109.45 1mjg n ASN 492 Ca 0.37 -0.33 -0.37 0.00 -0.03 0.00 0.00 54.58 54.22 1mjg n ASN 492 Cb 1.30 -4.19 -0.07 0.00 -0.61 0.00 0.00 39.78 36.21 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 -3.15 5.28 -0.33 2.41 1.01 -0.73 -0.66 120.40 124.22 1mjg s VAL 493 Ca 0.35 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 1mjg s VAL 493 Cb -0.16 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1mjg s VAL 493 CO 0.44 0.42 1.22 0.12 0.00 0.00 0.00 175.10 177.30 1mjg s PHE 494 N 0.20 2.83 -0.21 5.22 5.36 -0.47 -4.48 117.98 126.43 1mjg s PHE 494 Ca 0.18 0.95 -0.09 0.00 -0.96 0.00 0.00 56.93 57.01 1mjg s PHE 494 Cb -0.14 -3.91 -0.04 0.00 -0.34 0.00 0.00 43.02 38.59 1mjg s PHE 494 CO 0.06 -1.38 0.10 0.08 -1.46 0.00 0.00 175.22 172.62 1mjg s VAL 495 N 4.19 4.93 0.11 3.12 1.01 -1.26 -1.72 120.40 130.78 1mjg s VAL 495 Ca 0.52 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.62 1mjg s VAL 495 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1mjg s VAL 495 CO 0.22 0.40 -0.21 0.68 0.00 0.00 0.00 175.10 176.18 1mjg s VAL 496 N 0.83 2.61 0.06 2.92 -7.23 -0.28 -1.09 120.40 118.23 1mjg s VAL 496 Ca 0.05 -1.54 -0.06 0.00 -1.81 0.00 0.00 61.98 58.62 1mjg s VAL 496 Cb -0.13 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1mjg s VAL 496 CO 0.02 0.14 0.10 0.00 -0.31 0.00 0.00 175.10 175.05 1mjg s ALA 497 N -1.07 0.04 0.27 1.32 0.00 -0.07 -0.59 121.76 121.66 1mjg s ALA 497 Ca 0.16 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1mjg s ALA 497 Cb -0.10 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1mjg s ALA 497 CO 0.08 -0.42 0.32 0.95 0.00 0.00 0.00 175.76 176.68 1mjg s THR 498 N -3.59 0.00 0.00 0.00 -4.23 -0.69 -0.64 115.64 106.50 1mjg s THR 498 Ca 0.03 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1mjg s THR 498 Cb 0.04 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.41 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 -0.43 1.47 0.29 3.99 0.00 -0.51 -1.67 105.19 108.33 1mjg n GLY 499 Ca 0.02 -0.50 0.19 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 0.78 0.01 0.00 0.87 -1.36 -0.90 113.55 112.94 1mjg h SER 501 Ca 0.00 -0.52 -0.12 0.00 -1.23 0.00 0.00 61.79 59.92 1mjg h SER 501 Cb 0.27 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1mjg h SER 501 CO 0.00 1.15 -0.37 0.00 -0.53 0.00 0.00 176.83 177.08 1mjg h ALA 502 N 0.65 0.96 -0.26 6.23 0.00 -0.43 -2.41 119.26 124.00 1mjg h ALA 502 Ca 0.02 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1mjg h ALA 502 Cb 0.98 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1mjg h ALA 502 CO 0.09 0.61 -0.23 1.96 0.00 0.00 0.00 179.25 181.68 1mjg h GLN 503 N 0.41 0.49 -0.43 0.00 4.20 -1.12 0.11 115.11 118.76 1mjg h GLN 503 Ca 0.04 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1mjg h GLN 503 Cb 0.83 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1mjg h GLN 503 CO 0.07 0.69 0.15 0.00 -0.67 0.00 0.00 178.83 179.07 1mjg h ALA 504 N 1.32 0.56 -0.38 3.87 0.00 -0.88 0.64 119.26 124.39 1mjg h ALA 504 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mjg h ALA 504 Cb 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1mjg h ALA 504 CO 0.05 0.20 0.22 0.00 0.00 0.00 0.00 179.25 179.72 1mjg h ALA 505 N 1.00 0.48 0.13 0.00 0.00 -0.98 -1.94 119.26 117.95 1mjg h ALA 505 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1mjg h ALA 505 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mjg h ALA 505 CO -0.01 -0.02 -0.06 0.78 0.00 0.00 0.00 179.25 179.94 1mjg h GLY 506 N 0.49 -0.19 1.34 0.00 0.00 -0.65 0.31 103.07 104.36 1mjg h GLY 506 Ca 0.13 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1mjg h GLY 506 CO -0.02 -0.07 0.45 0.50 0.00 0.00 0.00 176.54 177.39 1mjg h LYS 507 N -0.25 0.88 -0.58 4.80 1.57 -0.82 -3.12 116.57 119.05 1mjg h LYS 507 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1mjg h LYS 507 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1mjg h LYS 507 CO 0.03 0.58 0.00 1.28 -0.57 0.00 0.00 179.45 180.77 1mjg n LEU 508 N -4.43 4.60 0.00 2.94 4.77 -0.74 -4.41 117.00 119.73 1mjg n LEU 508 Ca 0.07 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 1mjg n LEU 508 Cb 0.04 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1mjg n LEU 508 CO 0.36 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1mjg n GLY 509 N 0.87 0.76 0.00 -0.72 0.00 -0.78 -4.94 105.19 100.37 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 -0.88 0.99 4.77 0.10 -2.51 117.00 119.46 1mjg n LEU 510 Ca 0.00 0.07 0.07 0.00 -0.03 0.00 0.00 56.01 56.12 1mjg n LEU 510 Cb 0.00 -0.07 0.22 0.00 -2.33 0.00 0.00 43.42 41.25 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 -1.07 3.53 -4.52 2.23 4.77 -1.19 -2.38 117.00 118.37 1mjg n LEU 511 Ca 0.20 -2.37 -0.39 0.00 -0.03 0.00 0.00 56.01 53.42 1mjg n LEU 511 Cb 0.13 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 1mjg n LEU 511 CO 0.17 0.74 -0.18 -0.62 -1.33 0.00 0.00 177.39 176.17 1mjg s ASP 512 N -1.27 5.81 0.58 -1.43 -1.08 -1.04 -1.34 116.67 116.90 1mjg s ASP 512 Ca 0.34 -0.26 0.29 0.00 -0.52 0.00 0.00 52.55 52.40 1mjg s ASP 512 Cb 0.22 -2.07 1.47 0.00 -1.46 0.00 0.00 42.92 41.08 1mjg s ASP 512 CO 0.16 -0.13 1.90 -0.65 0.52 0.00 0.00 175.17 176.96 1mjg h PRO 513 N 8.38 0.00 0.00 4.34 0.11 -1.87 0.87 132.00 143.83 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 1.49 1.00 -0.63 -0.75 0.00 -1.93 -2.76 119.26 115.67 1mjg h ALA 514 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1mjg h ALA 514 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 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 -2.73 3.70 -0.33 0.00 3.02 0.30 -4.32 115.26 114.91 1mjg n ASN 515 Ca -0.01 -1.99 -0.04 0.00 -0.03 0.00 0.00 54.58 52.51 1mjg n ASN 515 Cb 0.16 -0.42 0.08 0.00 -0.61 0.00 0.00 39.78 39.00 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 4.21 1.26 -0.57 2.41 2.07 -1.63 -2.40 116.25 121.60 1mjg h VAL 516 Ca 0.00 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 1mjg h VAL 516 Cb 0.95 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1mjg h VAL 516 CO 0.00 0.30 0.03 -0.33 0.02 0.00 0.00 177.57 177.59 1mjg h GLU 517 N 1.24 0.96 0.00 1.57 4.39 -1.82 -1.23 114.58 119.69 1mjg h GLU 517 Ca 0.31 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1mjg h GLU 517 Cb 0.06 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1mjg h GLU 517 CO -0.05 0.93 -0.15 0.00 -1.16 0.00 0.00 179.01 178.58 1mjg h THR 518 N 0.89 0.31 0.00 1.13 1.03 -1.73 -3.39 112.91 111.15 1mjg h THR 518 Ca 0.17 -1.15 -0.02 0.00 -0.01 0.00 0.00 66.41 65.40 1mjg h THR 518 Cb 0.48 1.91 -0.00 0.00 -1.07 0.00 0.00 68.15 69.47 1mjg h THR 518 CO 0.02 0.15 -1.06 -1.22 -0.01 0.00 0.00 175.52 173.40 1mjg n TYR 519 N -3.20 0.00 -2.70 0.00 0.53 -0.94 -5.07 117.16 105.79 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 0.49 -0.04 -0.05 0.00 -1.03 0.00 0.00 39.34 38.71 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 -0.43 1.58 0.34 0.00 0.00 -0.72 -4.63 107.32 103.46 1mjg s GLY 521 Ca 0.45 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 45.00 1mjg s GLY 521 CO 0.32 0.38 1.94 -0.55 0.00 0.00 0.00 173.10 175.19 1mjg h ASP 522 N -1.93 0.76 0.48 1.64 3.32 -1.91 0.23 116.42 119.00 1mjg h ASP 522 Ca -0.54 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 1mjg h ASP 522 Cb 1.32 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1mjg h ASP 522 CO 0.55 0.49 -0.23 1.23 -1.72 0.00 0.00 179.24 179.56 1mjg h GLY 523 N 0.86 -0.67 0.99 2.75 0.00 -1.92 -0.70 103.07 104.39 1mjg h GLY 523 Ca 0.34 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1mjg h GLY 523 CO -0.12 -0.24 0.08 -2.00 0.00 0.00 0.00 176.54 174.26 1mjg h LEU 524 N -0.83 0.14 -0.54 3.11 5.85 -1.64 -1.17 115.31 120.24 1mjg h LEU 524 Ca -0.07 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1mjg h LEU 524 Cb 0.57 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1mjg h LEU 524 CO 0.11 0.12 0.17 0.50 -0.34 0.00 0.00 178.44 178.99 1mjg h LYS 525 N 0.16 0.32 -0.78 1.25 3.64 -0.97 0.31 116.57 120.49 1mjg h LYS 525 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1mjg h LYS 525 Cb -0.01 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1mjg h LYS 525 CO -0.01 0.21 0.36 0.78 -2.27 0.00 0.00 179.45 178.52 1mjg h GLY 526 N 0.33 1.22 0.93 5.01 0.00 -0.87 -0.09 103.07 109.60 1mjg h GLY 526 Ca 0.27 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1mjg h GLY 526 CO -0.30 0.59 0.13 -2.75 0.00 0.00 0.00 176.54 174.22 1mjg h PHE 527 N 1.11 0.40 -0.16 5.60 3.57 0.11 -1.69 116.94 125.88 1mjg h PHE 527 Ca 0.27 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1mjg h PHE 527 Cb 0.15 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1mjg h PHE 527 CO 0.01 0.37 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.06 1mjg h LEU 528 N 0.32 0.34 -0.06 0.59 3.38 -0.21 -1.96 115.31 117.70 1mjg h LEU 528 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1mjg h LEU 528 Cb 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1mjg h LEU 528 CO -0.01 0.66 0.02 0.11 0.09 0.00 0.00 178.44 179.30 1mjg h LYS 529 N 0.28 0.10 -0.37 1.13 1.79 -0.75 0.19 116.57 118.93 1mjg h LYS 529 Ca 0.04 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1mjg h LYS 529 Cb 0.73 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.32 1mjg h LYS 529 CO 0.06 0.28 0.11 -0.09 -1.08 0.00 0.00 179.45 178.72 1mjg h ARG 530 N -0.10 0.24 0.11 3.15 2.43 -1.18 -0.93 114.38 118.10 1mjg h ARG 530 Ca 0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1mjg h ARG 530 Cb 0.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1mjg h ARG 530 CO -0.00 0.16 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.50 1mjg h LEU 531 N 0.25 -0.12 -2.28 3.80 3.38 -1.20 -2.77 115.31 116.37 1mjg h LEU 531 Ca 0.17 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1mjg h LEU 531 Cb 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1mjg h LEU 531 CO -0.20 -0.01 0.18 1.23 0.09 0.00 0.00 178.44 179.73 1mjg h GLY 532 N -0.23 0.00 0.13 0.83 0.00 -0.19 0.31 103.07 103.92 1mjg h GLY 532 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1mjg h GLY 532 CO 0.02 0.00 -0.03 1.18 0.00 0.00 0.00 176.54 177.71 1mjg n GLU 533 N -3.73 1.31 -0.85 4.80 1.02 -0.39 -4.72 120.64 118.08 1mjg n GLU 533 Ca 0.01 -0.59 -0.32 0.00 -0.02 0.00 0.00 57.16 56.24 1mjg n GLU 533 Cb 0.29 -1.49 0.15 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.09 1.81 0.22 0.62 0.00 0.10 -4.90 107.32 103.08 1mjg s GLY 534 Ca 0.38 0.63 -0.32 0.00 0.00 0.00 0.00 44.72 45.42 1mjg s GLY 534 CO 0.37 1.05 1.45 0.00 0.00 0.00 0.00 173.10 175.97 1mjg n ALA 535 N -3.94 1.19 -1.42 3.20 0.00 -1.26 -2.50 120.51 115.77 1mjg n ALA 535 Ca 0.12 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.83 1mjg n ALA 535 Cb 0.52 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 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 2.43 -4.98 -4.11 0.00 5.03 -1.26 -4.89 115.26 107.47 1mjg n ASN 536 Ca 0.13 0.38 -0.43 0.00 0.87 0.00 0.00 54.58 55.52 1mjg n ASN 536 Cb 0.31 -4.16 0.00 0.00 -1.02 0.00 0.00 39.78 34.91 1mjg n ASN 536 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1mjg n ILE 537 N -2.15 4.70 -0.09 2.41 5.41 -1.04 -4.81 119.36 123.79 1mjg n ILE 537 Ca -0.15 -5.15 -0.14 0.00 1.00 0.00 0.00 62.75 58.31 1mjg n ILE 537 Cb 0.58 -2.33 -0.04 0.00 -0.71 0.00 0.00 39.64 37.14 1mjg n ILE 537 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1mjg h GLU 538 N 6.07 0.72 -7.10 0.38 5.08 -1.88 -3.45 114.58 114.40 1mjg h GLU 538 Ca 0.28 -0.41 -0.56 0.00 -1.00 0.00 0.00 59.36 57.68 1mjg h GLU 538 Cb 0.71 0.03 0.15 0.00 0.50 0.00 0.00 28.75 30.14 1mjg h GLU 538 CO 1.35 1.03 0.54 -1.50 -1.00 0.00 0.00 179.01 179.42 1mjg s ILE 539 N -4.28 2.05 0.42 3.13 2.07 -1.26 -4.96 121.20 118.37 1mjg s ILE 539 Ca -0.12 0.04 -0.21 0.00 -1.41 0.00 0.00 60.65 58.94 1mjg s ILE 539 Cb 0.09 -3.02 -0.11 0.00 0.13 0.00 0.00 42.46 39.55 1mjg s ILE 539 CO 0.84 -0.01 0.95 -0.83 -1.91 0.00 0.00 174.94 173.98 1mjg s GLY 540 N -1.29 2.44 -0.13 1.50 0.00 -1.26 -5.03 107.32 103.54 1mjg s GLY 540 Ca 0.80 0.41 -0.19 0.00 0.00 0.00 0.00 44.72 45.74 1mjg s GLY 540 CO 0.41 0.71 0.50 1.08 0.00 0.00 0.00 173.10 175.80 1mjg s LEU 541 N -3.05 4.25 0.67 0.66 1.43 -1.26 -4.78 118.68 116.60 1mjg s LEU 541 Ca 0.61 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 54.43 1mjg s LEU 541 Cb -0.10 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.42 1mjg s LEU 541 CO 0.14 -0.04 1.02 -2.16 0.23 0.00 0.00 176.35 175.54 1mjg s PRO 542 N 0.82 2.75 0.13 1.29 0.04 -1.26 -4.23 135.00 134.53 1mjg s PRO 542 Ca 0.26 0.19 -0.11 0.00 0.04 0.00 0.00 61.00 61.38 1mjg s PRO 542 Cb -0.15 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1mjg s PRO 542 CO 0.11 -0.98 1.39 -1.35 0.04 0.00 0.00 177.00 176.21 1mjg h PRO 543 N -0.50 0.84 -5.47 0.56 0.11 -1.78 -3.43 132.00 122.32 1mjg h PRO 543 Ca -0.45 -0.57 -0.67 0.00 0.11 0.00 0.00 66.00 64.42 1mjg h PRO 543 Cb 1.27 0.08 -0.29 0.00 0.11 0.00 0.00 31.00 32.17 1mjg h PRO 543 CO 0.63 1.20 -0.82 0.08 -0.21 0.00 0.00 178.00 178.87 1mjg s VAL 544 N -4.04 2.62 -0.43 3.15 1.01 -1.00 -4.53 120.40 117.18 1mjg s VAL 544 Ca -0.10 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 1mjg s VAL 544 Cb 0.10 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1mjg s VAL 544 CO 0.89 0.55 0.54 -0.36 0.00 0.00 0.00 175.10 176.72 1mjg s PHE 545 N 0.21 3.12 -0.42 5.22 0.40 -0.25 -4.70 117.98 121.55 1mjg s PHE 545 Ca -0.11 -0.22 -0.28 0.00 -0.60 0.00 0.00 56.93 55.72 1mjg s PHE 545 Cb -0.16 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.24 1mjg s PHE 545 CO 0.06 -0.79 1.53 -1.58 0.70 0.00 0.00 175.22 175.14 1mjg s HIS 546 N 2.49 2.20 -2.70 0.36 2.46 -1.26 -0.89 115.29 117.95 1mjg s HIS 546 Ca 0.17 0.64 0.25 0.00 0.47 0.00 0.00 55.06 56.60 1mjg s HIS 546 Cb -0.16 -4.27 0.61 0.00 -0.13 0.00 0.00 32.58 28.64 1mjg s HIS 546 CO 0.16 -2.23 1.50 -1.33 -2.47 0.00 0.00 174.74 170.37 1mjg n MET 547 N 8.29 2.01 0.00 2.88 2.81 0.19 -1.98 117.12 131.33 1mjg n MET 547 Ca 0.18 -1.48 0.00 0.00 -1.81 0.00 0.00 57.70 54.59 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 1.27 0.64 2.47 3.03 0.00 -1.25 -4.72 105.19 106.63 1mjg n GLY 548 Ca 0.17 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.77 -0.02 1.61 3.41 -1.26 -1.42 113.62 115.17 1mjg n SER 549 Ca 0.00 -1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 57.36 1mjg n SER 549 Cb 0.00 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.23 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 0.16 0.87 0.00 0.00 -1.51 -1.94 0.33 116.25 114.17 1mjg h VAL 551 Ca 0.06 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 1mjg h VAL 551 Cb 0.01 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1mjg h VAL 551 CO -0.04 0.01 0.00 0.47 -1.23 0.00 0.00 177.57 176.78 1mjg n ASP 552 N -4.34 0.00 0.26 4.19 9.92 -0.56 -1.15 116.55 124.87 1mjg n ASP 552 Ca -0.03 -0.38 0.18 0.00 -0.53 0.00 0.00 54.79 54.03 1mjg n ASP 552 Cb 0.09 0.00 0.83 0.00 -0.64 0.00 0.00 41.12 41.40 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 0.37 -2.24 2.35 -0.94 -0.17 115.58 114.95 1mjg h ASN 553 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 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 -0.22 0.77 -1.65 0.00 0.00 177.43 176.33 1mjg h SER 554 N 0.00 0.00 -0.44 5.81 4.64 -1.35 -1.65 113.55 120.56 1mjg h SER 554 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1mjg h SER 554 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1mjg h SER 554 CO 0.00 0.22 -0.22 0.03 -0.87 0.00 0.00 176.83 175.98 1mjg h ARG 555 N 0.00 0.95 -0.24 4.77 3.08 -1.25 -1.48 114.38 120.21 1mjg h ARG 555 Ca -0.00 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.60 1mjg h ARG 555 Cb 0.46 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1mjg h ARG 555 CO 0.03 1.07 -0.04 0.00 -1.07 0.00 0.00 179.97 179.95 1mjg h ALA 556 N 0.92 1.48 -0.27 0.04 0.00 -1.37 -0.53 119.26 119.54 1mjg h ALA 556 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1mjg h ALA 556 Cb 0.79 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1mjg h ALA 556 CO 0.07 0.37 -0.15 0.28 0.00 0.00 0.00 179.25 179.82 1mjg h VAL 557 N 0.36 1.30 -0.79 0.00 2.07 -1.04 -0.64 116.25 117.51 1mjg h VAL 557 Ca 0.08 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.43 1mjg h VAL 557 Cb 0.31 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1mjg h VAL 557 CO 0.01 0.39 0.52 0.44 0.02 0.00 0.00 177.57 178.95 1mjg h ASP 558 N 0.30 0.73 -0.44 0.57 3.32 -0.38 0.98 116.42 121.49 1mjg h ASP 558 Ca 0.06 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1mjg h ASP 558 Cb 0.66 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1mjg h ASP 558 CO 0.04 0.46 -0.00 0.25 -1.72 0.00 0.00 179.24 178.27 1mjg h LEU 559 N 0.82 0.77 -0.54 1.55 5.85 -0.79 -0.85 115.31 122.12 1mjg h LEU 559 Ca 0.35 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1mjg h LEU 559 Cb 0.29 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1mjg h LEU 559 CO -0.12 0.89 0.28 0.25 -0.34 0.00 0.00 178.44 179.40 1mjg h LEU 560 N 0.63 0.70 -0.83 2.25 5.85 0.30 -0.88 115.31 123.32 1mjg h LEU 560 Ca 0.13 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1mjg h LEU 560 Cb 0.50 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1mjg h LEU 560 CO 0.02 0.61 0.02 0.24 -0.34 0.00 0.00 178.44 178.99 1mjg h MET 561 N 0.73 0.89 -0.51 1.25 2.86 -0.70 -0.49 114.93 118.96 1mjg h MET 561 Ca 0.19 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1mjg h MET 561 Cb 0.08 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1mjg h MET 561 CO -0.03 0.87 0.22 0.00 1.06 0.00 0.00 176.91 179.04 1mjg h ALA 562 N 1.19 0.66 -0.25 6.32 0.00 -0.79 -1.13 119.26 125.25 1mjg h ALA 562 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 562 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1mjg h ALA 562 CO 0.02 0.25 0.13 0.52 0.00 0.00 0.00 179.25 180.16 1mjg h MET 563 N 0.68 0.36 -0.57 0.00 2.07 -0.77 -2.14 114.93 114.57 1mjg h MET 563 Ca 0.17 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.74 1mjg h MET 563 Cb 0.16 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 29.80 1mjg h MET 563 CO -0.02 0.35 0.31 0.00 1.07 0.00 0.00 176.91 178.63 1mjg h ALA 564 N 0.99 0.73 -0.30 6.32 0.00 -0.93 -1.33 119.26 124.74 1mjg h ALA 564 Ca 0.09 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1mjg h ALA 564 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1mjg h ALA 564 CO -0.01 0.25 -0.20 -0.91 0.00 0.00 0.00 179.25 178.38 1mjg h ASN 565 N 0.77 0.54 0.08 0.00 2.35 -1.14 0.07 115.58 118.24 1mjg h ASN 565 Ca 0.20 -0.17 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 1mjg h ASN 565 Cb 0.05 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1mjg h ASN 565 CO -0.03 0.75 -0.50 -0.78 -1.65 0.00 0.00 177.43 175.21 1mjg h ASP 566 N 0.49 0.52 1.27 5.81 1.82 -1.12 -2.76 116.42 122.45 1mjg h ASP 566 Ca 0.08 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1mjg h ASP 566 Cb 0.62 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1mjg h ASP 566 CO 0.04 0.94 0.00 0.18 -1.61 0.00 0.00 179.24 178.79 1mjg n LEU 567 N -3.97 0.48 -2.21 2.28 4.77 -0.53 -4.94 117.00 112.89 1mjg n LEU 567 Ca -0.02 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1mjg n LEU 567 Cb 0.57 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1mjg n LEU 567 CO 0.46 -0.11 0.14 0.61 -1.33 0.00 0.00 177.39 177.15 1mjg n GLY 568 N 1.37 0.12 3.24 -0.72 0.00 -0.08 -5.04 105.19 104.09 1mjg n GLY 568 Ca 0.06 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.17 0.06 0.64 1.61 -7.23 -0.69 -5.02 120.40 106.60 1mjg s VAL 569 Ca 0.32 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 1mjg s VAL 569 Cb -0.14 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 1mjg s VAL 569 CO 0.40 -0.28 1.03 -0.62 -0.31 0.00 0.00 175.10 175.32 1mjg s ASP 570 N -3.05 5.94 0.45 4.85 3.68 -1.26 -4.39 116.67 122.88 1mjg s ASP 570 Ca 0.26 1.26 0.21 0.00 2.13 0.00 0.00 52.55 56.41 1mjg s ASP 570 Cb 0.06 -2.24 1.18 0.00 -1.45 0.00 0.00 42.92 40.46 1mjg s ASP 570 CO 0.04 -1.02 1.86 0.71 0.13 0.00 0.00 175.17 176.89 1mjg h THR 571 N -0.40 0.65 0.00 1.71 1.35 -1.90 -2.25 112.91 112.07 1mjg h THR 571 Ca -0.45 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1mjg h THR 571 Cb 1.22 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1mjg h THR 571 CO 0.63 0.06 0.05 -0.65 -0.25 0.00 0.00 175.52 175.35 1mjg h PRO 572 N 0.31 0.00 -0.02 4.72 0.11 -1.83 -1.09 132.00 134.20 1mjg h PRO 572 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1mjg h PRO 572 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1mjg h PRO 572 CO -0.14 0.00 -0.31 1.63 -0.21 0.00 0.00 178.00 178.97 1mjg n LYS 573 N -2.46 1.55 -2.94 1.05 5.02 -0.85 -4.94 118.16 114.58 1mjg n LYS 573 Ca -0.02 -1.26 -0.40 0.00 -2.02 0.00 0.00 58.31 54.61 1mjg n LYS 573 Cb 0.09 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.32 4.76 -1.20 -0.18 1.01 -0.41 -4.87 120.40 117.19 1mjg s VAL 574 Ca 0.22 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.70 1mjg s VAL 574 Cb 0.19 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1mjg s VAL 574 CO 0.48 0.33 1.91 -2.65 0.00 0.00 0.00 175.10 175.17 1mjg n PRO 575 N 3.02 2.33 -3.76 2.72 -0.02 -1.26 -4.82 135.00 133.21 1mjg n PRO 575 Ca -0.01 -2.66 -0.14 0.00 -2.02 0.00 0.00 63.50 58.67 1mjg n PRO 575 Cb 0.50 -3.44 -0.15 0.00 -0.02 0.00 0.00 33.50 30.39 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 6.44 -0.09 0.04 6.00 5.36 -1.26 -1.48 117.98 132.99 1mjg s PHE 576 Ca 0.58 0.35 0.03 0.00 -0.96 0.00 0.00 56.93 56.93 1mjg s PHE 576 Cb 0.06 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1mjg s PHE 576 CO 0.08 -0.13 -0.10 0.14 -1.46 0.00 0.00 175.22 173.75 1mjg s VAL 577 N 1.06 0.71 0.09 3.12 -7.23 -0.56 -4.11 120.40 113.49 1mjg s VAL 577 Ca -0.08 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.13 1mjg s VAL 577 Cb -0.11 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 1mjg s VAL 577 CO -0.05 -0.24 -0.04 0.00 -0.31 0.00 0.00 175.10 174.47 1mjg s ALA 578 N -1.14 3.17 -0.11 1.32 0.00 -0.52 -1.09 121.76 123.39 1mjg s ALA 578 Ca -0.06 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.69 1mjg s ALA 578 Cb -0.09 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 21.98 1mjg s ALA 578 CO 0.01 0.68 0.26 0.45 0.00 0.00 0.00 175.76 177.16 1mjg s SER 579 N -2.22 -0.29 -0.64 0.00 0.15 0.16 -0.39 113.70 110.46 1mjg s SER 579 Ca 0.24 0.56 0.05 0.00 0.70 0.00 0.00 55.95 57.49 1mjg s SER 579 Cb -0.11 0.47 0.17 0.00 -1.71 0.00 0.00 66.02 64.83 1mjg s SER 579 CO 0.16 -0.15 0.46 0.00 1.20 0.00 0.00 173.24 174.91 1mjg s ALA 580 N 1.02 3.34 0.34 5.45 0.00 0.56 -0.44 121.76 132.03 1mjg s ALA 580 Ca -0.07 -3.56 0.10 0.00 0.00 0.00 0.00 51.96 48.43 1mjg s ALA 580 Cb -0.08 -2.06 0.88 0.00 0.00 0.00 0.00 23.12 21.86 1mjg s ALA 580 CO -0.07 -2.07 1.78 -1.35 0.00 0.00 0.00 175.76 174.05 1mjg h PRO 581 N 5.48 0.60 -1.08 0.00 0.11 -1.82 0.36 132.00 135.65 1mjg h PRO 581 Ca 0.16 -0.04 -0.45 0.00 0.11 0.00 0.00 66.00 65.78 1mjg h PRO 581 Cb 0.79 -0.14 -0.41 0.00 0.11 0.00 0.00 31.00 31.35 1mjg h PRO 581 CO 0.65 0.40 -0.96 0.39 -0.21 0.00 0.00 178.00 178.26 1mjg n GLU 582 N -4.73 2.40 -1.69 1.05 1.02 -1.26 -3.55 120.64 113.88 1mjg n GLU 582 Ca 0.24 -3.87 -0.43 0.00 -0.02 0.00 0.00 57.16 53.07 1mjg n GLU 582 Cb 0.68 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.38 1.30 0.09 0.62 0.00 -1.19 -1.29 120.51 119.67 1mjg n ALA 583 Ca 0.25 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1mjg n ALA 583 Cb 0.78 -2.28 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 1.29 0.00 -0.90 0.00 0.00 -1.26 -4.53 117.12 111.72 1mjg n MET 584 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.46 1mjg n MET 584 Cb 0.34 -0.04 0.14 0.00 0.00 0.00 0.00 33.22 33.67 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 -5.04 3.38 0.41 6.12 1.04 -1.26 -4.90 113.70 113.44 1mjg s SER 585 Ca 0.00 2.16 0.13 0.00 0.48 0.00 0.00 55.95 58.72 1mjg s SER 585 Cb 0.00 -2.56 0.87 0.00 0.10 0.00 0.00 66.02 64.42 1mjg s SER 585 CO 0.00 -2.80 1.92 1.23 0.98 0.00 0.00 173.24 174.57 1mjg h GLY 586 N -1.51 0.04 1.01 7.32 0.00 -1.93 -1.81 103.07 106.20 1mjg h GLY 586 Ca -0.44 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1mjg h GLY 586 CO 0.44 0.03 0.59 0.50 0.00 0.00 0.00 176.54 178.10 1mjg h LYS 587 N 0.04 1.20 -0.63 4.80 1.57 -1.83 -0.71 116.57 121.00 1mjg h LYS 587 Ca 0.01 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1mjg h LYS 587 Cb 0.45 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1mjg h LYS 587 CO 0.03 0.80 0.12 0.00 -0.57 0.00 0.00 179.45 179.83 1mjg h ALA 588 N 1.33 1.02 -0.31 3.86 0.00 -1.69 0.62 119.26 124.09 1mjg h ALA 588 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 588 Cb -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1mjg h ALA 588 CO -0.07 0.63 0.14 0.00 0.00 0.00 0.00 179.25 179.95 1mjg h ALA 589 N 1.16 0.40 -0.43 0.00 0.00 -1.02 0.60 119.26 119.97 1mjg h ALA 589 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 589 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1mjg h ALA 589 CO 0.01 -0.03 0.13 0.00 0.00 0.00 0.00 179.25 179.37 1mjg h ALA 590 N 0.99 0.56 -0.41 0.00 0.00 -0.84 -1.77 119.26 117.80 1mjg h ALA 590 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1mjg h ALA 590 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1mjg h ALA 590 CO -0.01 0.21 0.23 0.82 0.00 0.00 0.00 179.25 180.49 1mjg h ILE 591 N 0.55 1.15 -1.01 0.00 2.04 -0.71 -0.88 117.51 118.65 1mjg h ILE 591 Ca 0.14 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1mjg h ILE 591 Cb 0.26 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1mjg h ILE 591 CO -0.00 0.16 0.67 1.23 0.00 0.00 0.00 178.15 180.20 1mjg h GLY 592 N 0.53 1.44 0.99 5.37 0.00 -0.77 -1.88 103.07 108.74 1mjg h GLY 592 Ca 0.15 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1mjg h GLY 592 CO -0.02 0.49 0.03 -0.84 0.00 0.00 0.00 176.54 176.20 1mjg h THR 593 N 1.34 1.26 0.00 4.70 2.02 -0.62 -2.58 112.91 119.02 1mjg h THR 593 Ca 0.38 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 1mjg h THR 593 Cb -0.11 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1mjg h THR 593 CO -0.09 0.35 -0.27 4.11 0.37 0.00 0.00 175.52 179.99 1mjg h TRP 594 N 0.68 0.00 -0.26 3.16 5.08 -0.87 -1.75 115.95 121.98 1mjg h TRP 594 Ca 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.10 1mjg h TRP 594 Cb 0.46 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.61 1mjg h TRP 594 CO 0.03 0.27 0.13 -1.49 -1.28 0.00 0.00 178.44 176.10 1mjg h TRP 595 N 0.00 0.38 -0.40 0.12 -0.00 -1.15 0.26 115.95 115.16 1mjg h TRP 595 Ca -0.00 -0.02 0.04 0.00 -0.00 0.00 0.00 58.89 58.91 1mjg h TRP 595 Cb 0.89 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 29.89 1mjg h TRP 595 CO 0.00 0.35 0.19 0.28 -0.00 0.00 0.00 178.44 179.25 1mjg h VAL 596 N 0.29 0.95 -0.75 1.49 2.07 -1.24 -1.91 116.25 117.14 1mjg h VAL 596 Ca 0.09 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1mjg h VAL 596 Cb 0.11 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1mjg h VAL 596 CO -0.01 0.07 0.46 0.28 0.02 0.00 0.00 177.57 178.39 1mjg h SER 597 N 0.38 0.89 0.00 0.57 0.02 -0.82 -1.23 113.55 113.35 1mjg h SER 597 Ca 0.18 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1mjg h SER 597 Cb 0.11 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1mjg h SER 597 CO -0.14 0.67 0.00 0.18 -1.14 0.00 0.00 176.83 176.40 1mjg n LEU 598 N -4.39 0.04 0.00 5.07 4.77 0.89 -4.86 117.00 118.52 1mjg n LEU 598 Ca 0.08 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1mjg n LEU 598 Cb 0.06 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1mjg n LEU 598 CO 0.37 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1mjg n GLY 599 N 0.40 0.51 3.50 -0.72 0.00 -0.47 -4.68 105.19 103.73 1mjg n GLY 599 Ca 0.00 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 3.26 0.16 1.61 1.01 -0.82 -3.61 120.40 120.01 1mjg s VAL 600 Ca 0.00 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 1mjg s VAL 600 Cb 0.00 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 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 -0.69 4.25 -0.26 2.72 0.02 -1.26 -2.92 135.00 136.87 1mjg s PRO 601 Ca 0.11 2.27 0.01 0.00 0.02 0.00 0.00 61.00 63.40 1mjg s PRO 601 Cb -0.11 -3.18 0.07 0.00 0.02 0.00 0.00 34.50 31.30 1mjg s PRO 601 CO 0.01 -0.53 -0.03 0.99 -0.33 0.00 0.00 177.00 177.11 1mjg s THR 602 N 0.97 1.58 0.06 0.99 2.01 0.77 -1.44 115.64 120.58 1mjg s THR 602 Ca 0.67 -1.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.04 1mjg s THR 602 Cb -0.41 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.13 1mjg s THR 602 CO 0.33 -0.22 0.70 -2.28 -0.69 0.00 0.00 174.62 172.46 1mjg s HIS 603 N 1.35 3.77 -0.10 4.92 5.04 0.47 -0.49 115.29 130.25 1mjg s HIS 603 Ca -0.02 1.42 0.01 0.00 -1.54 0.00 0.00 55.06 54.93 1mjg s HIS 603 Cb -0.19 -2.72 0.02 0.00 0.04 0.00 0.00 32.58 29.73 1mjg s HIS 603 CO -0.08 0.38 -0.11 0.08 -2.34 0.00 0.00 174.74 172.67 1mjg s VAL 604 N -0.46 1.20 -1.38 0.89 1.01 -0.57 -0.32 120.40 120.77 1mjg s VAL 604 Ca 0.35 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1mjg s VAL 604 Cb -0.20 -1.15 0.19 0.00 0.00 0.00 0.00 36.38 35.22 1mjg s VAL 604 CO 0.22 0.39 0.97 0.61 0.00 0.00 0.00 175.10 177.28 1mjg n GLY 605 N 4.41 0.92 3.16 4.51 0.00 0.12 -2.89 105.19 115.42 1mjg n GLY 605 Ca -0.18 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.59 0.07 -0.21 2.61 -4.23 -1.26 -4.44 115.64 106.58 1mjg s THR 606 Ca 0.13 -0.54 -0.20 0.00 -1.18 0.00 0.00 61.69 59.90 1mjg s THR 606 Cb 0.09 -0.49 -0.03 0.00 1.34 0.00 0.00 72.50 73.41 1mjg s THR 606 CO 0.06 -0.30 0.59 -0.32 -0.54 0.00 0.00 174.62 174.11 1mjg s MET 607 N -1.22 4.17 0.89 3.99 1.75 -1.26 -4.90 119.30 122.71 1mjg s MET 607 Ca -0.13 0.52 -0.12 0.00 -1.25 0.00 0.00 55.69 54.71 1mjg s MET 607 Cb -0.06 -3.59 0.12 0.00 2.84 0.00 0.00 34.83 34.14 1mjg s MET 607 CO 0.02 -0.26 1.11 -2.14 -0.65 0.00 0.00 175.02 173.11 1mjg s PRO 608 N 1.98 1.35 -1.10 4.11 0.02 -1.26 -4.87 135.00 135.22 1mjg s PRO 608 Ca 0.26 0.52 -0.18 0.00 0.02 0.00 0.00 61.00 61.62 1mjg s PRO 608 Cb -0.16 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 1mjg s PRO 608 CO 0.10 -2.10 2.08 -0.35 -0.33 0.00 0.00 177.00 176.39 1mjg n PRO 609 N -3.74 2.16 0.00 5.54 -0.04 -1.26 -4.31 135.00 133.36 1mjg n PRO 609 Ca 0.07 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1mjg n PRO 609 Cb 0.57 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 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 5.54 0.00 0.30 0.52 0.24 -1.24 -3.88 118.33 119.81 1mjg n VAL 610 Ca 0.51 -0.31 0.19 0.00 -2.04 0.00 0.00 64.34 62.68 1mjg n VAL 610 Cb 0.39 1.08 0.86 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 -2.74 114.58 122.52 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 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 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 -0.34 -0.82 2.77 -3.84 0.00 0.05 -4.42 105.19 98.59 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 -3.42 2.50 0.41 1.61 0.15 -1.03 -4.90 113.70 109.02 1mjg s SER 613 Ca 0.02 -0.58 0.15 0.00 0.70 0.00 0.00 55.95 56.24 1mjg s SER 613 Cb 0.05 -0.60 0.89 0.00 -1.71 0.00 0.00 66.02 64.65 1mjg s SER 613 CO 0.17 -0.25 1.91 0.44 1.20 0.00 0.00 173.24 176.71 1mjg h ASP 614 N 8.25 0.00 0.54 5.45 3.32 -1.84 0.14 116.42 132.28 1mjg h ASP 614 Ca -0.19 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1mjg h ASP 614 Cb 1.12 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.68 1mjg h ASP 614 CO 0.32 0.28 -0.26 0.25 -1.72 0.00 0.00 179.24 178.11 1mjg h LEU 615 N 0.00 -0.61 -0.28 1.55 7.12 -1.94 -0.40 115.31 120.75 1mjg h LEU 615 Ca -0.00 -0.05 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 1mjg h LEU 615 Cb 0.50 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 1mjg h LEU 615 CO 0.04 -0.29 0.16 0.40 -0.13 0.00 0.00 178.44 178.62 1mjg h ILE 616 N -0.94 1.11 -0.87 4.05 1.08 -1.85 -1.57 117.51 118.53 1mjg h ILE 616 Ca -0.07 -0.28 0.09 0.00 -0.39 0.00 0.00 64.86 64.21 1mjg h ILE 616 Cb 0.62 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 35.09 1mjg h ILE 616 CO 0.12 0.11 0.51 0.22 -0.69 0.00 0.00 178.15 178.42 1mjg h TYR 617 N 0.35 0.93 -0.32 1.37 5.03 -0.97 -0.39 116.97 122.98 1mjg h TYR 617 Ca 0.10 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.31 1mjg h TYR 617 Cb 0.04 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.01 1mjg h TYR 617 CO -0.04 0.39 -0.32 1.03 -1.32 0.00 0.00 178.16 177.91 1mjg h SER 618 N 0.86 0.71 -0.48 -2.11 0.87 -0.75 -1.22 113.55 111.43 1mjg h SER 618 Ca 0.41 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1mjg h SER 618 Cb 0.35 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1mjg h SER 618 CO -0.24 0.98 0.00 0.40 -0.53 0.00 0.00 176.83 177.45 1mjg h ILE 619 N 0.58 1.26 -0.40 2.23 2.04 -0.31 0.30 117.51 123.22 1mjg h ILE 619 Ca 0.07 -1.06 -0.15 0.00 1.00 0.00 0.00 64.86 64.72 1mjg h ILE 619 Cb 0.83 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1mjg h ILE 619 CO 0.07 0.37 -0.33 -0.07 0.00 0.00 0.00 178.15 178.20 1mjg h LEU 620 N 0.71 0.94 0.00 1.44 3.38 -0.98 -0.16 115.31 120.65 1mjg h LEU 620 Ca 0.14 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1mjg h LEU 620 Cb 0.51 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1mjg h LEU 620 CO 0.02 1.18 -1.84 0.35 0.09 0.00 0.00 178.44 178.25 1mjg n THR 621 N -4.07 0.09 0.06 0.22 -2.24 -0.47 -1.41 114.28 106.46 1mjg n THR 621 Ca -0.01 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1mjg n THR 621 Cb 0.51 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.31 0.00 -0.16 -0.78 6.02 0.93 -4.60 117.38 116.48 1mjg n GLN 622 Ca -0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1mjg n GLN 622 Cb 0.56 -0.39 0.30 0.00 1.02 0.00 0.00 30.24 31.73 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 1.16 -0.75 5.09 1.08 -1.24 -1.88 117.51 120.98 1mjg h ILE 623 Ca 0.00 -0.30 0.10 0.00 -0.39 0.00 0.00 64.86 64.27 1mjg h ILE 623 Cb 0.00 0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 33.90 1mjg h ILE 623 CO 0.00 0.16 0.49 0.00 -0.69 0.00 0.00 178.15 178.11 1mjg h ALA 624 N 1.59 1.84 0.00 1.87 0.00 -1.25 0.14 119.26 123.46 1mjg h ALA 624 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1mjg h ALA 624 Cb -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1mjg h ALA 624 CO -0.06 -0.00 -0.09 0.66 0.00 0.00 0.00 179.25 179.76 1mjg h SER 625 N 0.63 0.00 0.32 0.00 4.64 -0.67 0.41 113.55 118.88 1mjg h SER 625 Ca 0.35 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.34 1mjg h SER 625 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1mjg h SER 625 CO -0.13 0.09 -1.77 0.44 -0.87 0.00 0.00 176.83 174.59 1mjg h ASP 626 N 0.00 0.32 0.00 4.97 3.32 -0.85 -3.12 116.42 121.06 1mjg h ASP 626 Ca -0.00 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.43 1mjg h ASP 626 Cb 0.41 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1mjg h ASP 626 CO 0.01 1.52 -0.17 0.58 -1.72 0.00 0.00 179.24 179.46 1mjg h VAL 627 N 0.06 0.82 0.00 -1.35 2.07 -0.71 -3.41 116.25 113.72 1mjg h VAL 627 Ca -0.33 -1.66 -0.29 0.00 0.82 0.00 0.00 66.70 65.23 1mjg h VAL 627 Cb 2.03 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 33.34 1mjg h VAL 627 CO 0.11 0.28 -2.31 -1.22 0.02 0.00 0.00 177.57 174.45 1mjg n TYR 628 N -4.66 0.00 0.00 1.57 4.02 0.13 -5.01 117.16 113.21 1mjg n TYR 628 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1mjg n TYR 628 Cb 0.29 -0.90 0.00 0.00 -0.02 0.00 0.00 39.34 38.71 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 1.65 2.49 4.00 2.72 0.00 -0.42 -4.20 105.19 111.43 1mjg n GLY 629 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.51 1.79 -0.22 -0.02 0.00 -1.18 -4.54 107.32 100.65 1mjg s GLY 630 Ca 0.00 -1.75 -0.33 0.00 0.00 0.00 0.00 44.72 42.63 1mjg s GLY 630 CO 0.00 -1.34 1.24 -2.52 0.00 0.00 0.00 173.10 170.48 1mjg s TYR 631 N -2.81 -0.12 0.14 1.90 -0.85 -1.15 -1.96 117.35 112.50 1mjg s TYR 631 Ca 0.61 0.13 -0.24 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 42.69 1mjg s TYR 631 CO 0.40 -0.16 0.74 -0.06 -1.52 0.00 0.00 175.55 174.94 1mjg s PHE 632 N -1.89 3.88 -0.34 -3.49 0.40 -0.50 -0.16 117.98 115.87 1mjg s PHE 632 Ca 0.08 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.99 1mjg s PHE 632 Cb -0.01 -2.72 0.10 0.00 0.51 0.00 0.00 43.02 40.90 1mjg s PHE 632 CO -0.05 0.51 0.06 0.42 0.70 0.00 0.00 175.22 176.86 1mjg s ILE 633 N -1.05 2.44 -0.32 0.64 1.01 0.36 -4.47 121.20 119.80 1mjg s ILE 633 Ca 0.35 -2.22 -0.18 0.00 0.00 0.00 0.00 60.65 58.60 1mjg s ILE 633 Cb -0.22 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 1mjg s ILE 633 CO 0.25 -0.55 0.52 -0.36 0.00 0.00 0.00 174.94 174.80 1mjg s PHE 634 N 0.96 3.20 -0.25 3.97 2.99 -1.26 -1.52 117.98 126.08 1mjg s PHE 634 Ca 0.08 0.34 -0.05 0.00 0.00 0.00 0.00 56.93 57.31 1mjg s PHE 634 Cb -0.20 -2.88 0.13 0.00 0.00 0.00 0.00 43.02 40.08 1mjg s PHE 634 CO -0.07 -0.47 0.48 -2.00 -0.00 0.00 0.00 175.22 173.17 1mjg s GLU 635 N 2.40 0.43 0.39 0.44 2.56 -1.14 -3.61 118.70 120.17 1mjg s GLU 635 Ca 0.20 0.92 0.23 0.00 0.00 0.00 0.00 54.97 56.32 1mjg s GLU 635 Cb -0.15 0.19 0.37 0.00 2.00 0.00 0.00 34.13 36.53 1mjg s GLU 635 CO 0.12 -0.46 1.58 0.52 -0.56 0.00 0.00 175.26 176.46 1mjg h MET 636 N 8.11 0.00 -5.92 4.30 2.86 -1.82 -3.38 114.93 119.07 1mjg h MET 636 Ca -0.19 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.83 1mjg h MET 636 Cb 1.14 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.68 1mjg h MET 636 CO 0.20 0.00 0.46 0.34 1.06 0.00 0.00 176.91 178.97 1mjg s ASP 637 N -5.94 6.43 0.37 1.22 3.68 -1.26 -4.94 116.67 116.23 1mjg s ASP 637 Ca 0.07 -0.06 0.12 0.00 2.13 0.00 0.00 52.55 54.80 1mjg s ASP 637 Cb 0.06 -2.41 0.91 0.00 -1.45 0.00 0.00 42.92 40.03 1mjg s ASP 637 CO 0.67 -1.00 1.85 1.55 0.13 0.00 0.00 175.17 178.37 1mjg h PRO 638 N 9.05 0.58 -0.18 4.34 0.13 -1.92 0.17 132.00 144.16 1mjg h PRO 638 Ca -0.25 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 1mjg h PRO 638 Cb 1.08 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1mjg h PRO 638 CO 1.00 0.38 -0.06 1.96 -0.23 0.00 0.00 178.00 181.05 1mjg h GLN 639 N 0.59 0.37 -0.61 0.86 1.08 -1.92 -1.16 115.11 114.32 1mjg h GLN 639 Ca 0.48 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.47 1mjg h GLN 639 Cb 0.93 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.32 1mjg h GLN 639 CO -0.23 0.64 0.11 0.28 -0.95 0.00 0.00 178.83 178.69 1mjg h VAL 640 N 0.07 1.25 -0.20 -0.54 2.07 -1.81 -2.50 116.25 114.60 1mjg h VAL 640 Ca 0.04 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1mjg h VAL 640 Cb 0.52 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1mjg h VAL 640 CO 0.02 0.36 0.07 0.00 0.02 0.00 0.00 177.57 178.03 1mjg h ALA 641 N 1.19 0.22 -0.87 1.67 0.00 -0.53 0.11 119.26 121.05 1mjg h ALA 641 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1mjg h ALA 641 Cb 0.38 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1mjg h ALA 641 CO 0.01 -0.36 0.56 0.00 0.00 0.00 0.00 179.25 179.46 1mjg h ALA 642 N 1.12 1.15 -0.47 0.00 0.00 -0.99 0.24 119.26 120.32 1mjg h ALA 642 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1mjg h ALA 642 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1mjg h ALA 642 CO -0.09 0.40 0.16 -0.09 0.00 0.00 0.00 179.25 179.62 1mjg h ARG 643 N 1.08 0.72 -0.42 0.00 2.43 -0.95 -0.47 114.38 116.77 1mjg h ARG 643 Ca 0.35 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1mjg h ARG 643 Cb 0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1mjg h ARG 643 CO -0.12 0.67 -0.02 0.87 -1.51 0.00 0.00 179.97 179.86 1mjg h LYS 644 N 0.62 0.69 -0.59 0.20 1.57 0.01 0.06 116.57 119.13 1mjg h LYS 644 Ca 0.15 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1mjg h LYS 644 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1mjg h LYS 644 CO -0.01 0.72 0.14 0.82 -0.57 0.00 0.00 179.45 180.55 1mjg h ILE 645 N 0.65 1.25 -0.35 1.86 2.04 -0.19 -0.91 117.51 121.85 1mjg h ILE 645 Ca 0.13 -0.90 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1mjg h ILE 645 Cb 0.43 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1mjg h ILE 645 CO 0.02 0.33 -0.09 -0.07 0.00 0.00 0.00 178.15 178.34 1mjg h LEU 646 N 0.85 0.58 -0.82 1.44 3.38 -0.60 -1.77 115.31 118.36 1mjg h LEU 646 Ca 0.18 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1mjg h LEU 646 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1mjg h LEU 646 CO 0.00 0.71 0.10 0.44 0.09 0.00 0.00 178.44 179.78 1mjg h ASP 647 N 0.55 0.94 -0.56 -0.43 3.32 -0.44 -0.58 116.42 119.22 1mjg h ASP 647 Ca 0.10 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 1mjg h ASP 647 Cb 0.49 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1mjg h ASP 647 CO 0.03 0.94 0.03 0.00 -1.72 0.00 0.00 179.24 178.52 1mjg h ALA 648 N 1.17 0.94 -0.24 3.45 0.00 -0.57 -0.13 119.26 123.89 1mjg h ALA 648 Ca 0.19 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1mjg h ALA 648 Cb 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1mjg h ALA 648 CO 0.01 0.64 -0.39 -0.07 0.00 0.00 0.00 179.25 179.44 1mjg h LEU 649 N 0.93 0.76 -1.07 0.00 3.38 -1.11 -2.99 115.31 115.21 1mjg h LEU 649 Ca 0.17 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1mjg h LEU 649 Cb 0.49 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1mjg h LEU 649 CO 0.02 1.14 0.34 -0.08 0.09 0.00 0.00 178.44 179.95 1mjg h GLU 650 N 0.40 0.99 -0.16 1.13 4.22 -0.95 0.21 114.58 120.42 1mjg h GLU 650 Ca 0.02 -0.13 0.03 0.00 0.08 0.00 0.00 59.36 59.36 1mjg h GLU 650 Cb 0.99 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1mjg h GLU 650 CO 0.09 0.76 -0.04 -0.92 -2.18 0.00 0.00 179.01 176.73 1mjg h TYR 651 N 0.99 -0.08 -0.24 0.92 3.20 -0.97 0.48 116.97 121.28 1mjg h TYR 651 Ca 0.24 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.94 1mjg h TYR 651 Cb 0.10 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1mjg h TYR 651 CO 0.01 -0.06 -0.60 0.00 -1.64 0.00 0.00 178.16 175.86 1mjg h ARG 652 N 0.01 0.80 -0.74 1.82 3.08 -1.30 -1.00 114.38 117.05 1mjg h ARG 652 Ca 0.08 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 1mjg h ARG 652 Cb 0.12 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1mjg h ARG 652 CO -0.16 1.17 0.37 1.15 -1.07 0.00 0.00 179.97 181.42 1mjg h THR 653 N 0.60 1.23 0.67 2.04 2.02 -0.36 0.24 112.91 119.34 1mjg h THR 653 Ca -0.00 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1mjg h THR 653 Cb 1.21 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1mjg h THR 653 CO 0.13 0.27 -0.32 -0.25 0.37 0.00 0.00 175.52 175.72 1mjg h TRP 654 N 1.03 -0.83 -0.33 3.16 7.01 0.09 -2.25 115.95 123.82 1mjg h TRP 654 Ca 0.25 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1mjg h TRP 654 Cb 0.09 0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 1mjg h TRP 654 CO 0.00 -0.48 0.16 -0.22 -2.79 0.00 0.00 178.44 175.11 1mjg h LYS 655 N -1.14 0.45 -0.53 2.65 3.64 -1.14 -0.91 116.57 119.59 1mjg h LYS 655 Ca -0.09 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1mjg h LYS 655 Cb 0.72 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1mjg h LYS 655 CO 0.15 0.35 0.16 1.25 -2.27 0.00 0.00 179.45 179.09 1mjg h LEU 656 N 0.46 0.77 -0.32 5.20 6.46 -0.94 -1.08 115.31 125.86 1mjg h LEU 656 Ca 0.12 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1mjg h LEU 656 Cb 0.05 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1mjg h LEU 656 CO -0.02 0.78 0.13 1.23 -0.62 0.00 0.00 178.44 179.95 1mjg h GLY 657 N 0.73 0.51 0.96 3.75 0.00 -0.65 -1.87 103.07 106.50 1mjg h GLY 657 Ca 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1mjg h GLY 657 CO -0.00 0.26 0.20 -2.08 0.00 0.00 0.00 176.54 174.92 1mjg h VAL 658 N 0.37 1.16 -0.74 4.60 2.07 -1.05 -1.83 116.25 120.83 1mjg h VAL 658 Ca 0.11 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1mjg h VAL 658 Cb 0.18 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1mjg h VAL 658 CO -0.01 0.17 0.38 0.45 0.02 0.00 0.00 177.57 178.58 1mjg h HIS 659 N 0.49 1.02 -0.25 1.57 -0.00 -1.10 0.14 115.15 117.02 1mjg h HIS 659 Ca 0.13 -0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.33 1mjg h HIS 659 Cb 0.09 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1mjg h HIS 659 CO -0.02 0.72 -0.42 0.87 -0.00 0.00 0.00 177.93 179.09 1mjg h LYS 660 N 1.04 0.62 -0.27 2.45 1.57 -1.12 0.33 116.57 121.18 1mjg h LYS 660 Ca 0.26 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1mjg h LYS 660 Cb 0.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1mjg h LYS 660 CO -0.04 0.92 0.05 0.93 -0.57 0.00 0.00 179.45 180.75 1mjg h GLU 661 N 0.51 0.44 -0.45 3.15 5.08 -0.86 -1.90 114.58 120.54 1mjg h GLU 661 Ca 0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1mjg h GLU 661 Cb 0.94 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1mjg h GLU 661 CO 0.08 0.55 0.19 0.28 -1.00 0.00 0.00 179.01 179.11 1mjg h VAL 662 N 0.27 1.20 -0.87 3.13 2.07 -0.85 0.10 116.25 121.31 1mjg h VAL 662 Ca 0.08 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1mjg h VAL 662 Cb 0.31 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1mjg h VAL 662 CO 0.00 0.23 0.57 0.00 0.02 0.00 0.00 177.57 178.39 1mjg h ALA 663 N 1.04 1.43 -0.09 1.67 0.00 -0.81 0.10 119.26 122.60 1mjg h ALA 663 Ca 0.15 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1mjg h ALA 663 Cb 0.18 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mjg h ALA 663 CO -0.01 0.51 -0.43 1.49 0.00 0.00 0.00 179.25 180.80 1mjg h GLU 664 N 1.12 0.45 0.03 0.00 4.81 -1.01 0.24 114.58 120.22 1mjg h GLU 664 Ca 0.33 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1mjg h GLU 664 Cb -0.04 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1mjg h GLU 664 CO -0.09 1.00 -0.05 -0.09 -0.73 0.00 0.00 179.01 179.05 1mjg h ARG 665 N 0.01 -0.10 -0.01 1.92 2.43 -0.30 -2.61 114.38 115.72 1mjg h ARG 665 Ca -0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1mjg h ARG 665 Cb 1.07 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1mjg h ARG 665 CO 0.09 -0.07 -0.11 0.66 -1.51 0.00 0.00 179.97 179.03 1mjg n TYR 666 N -5.16 0.00 -3.18 2.20 4.02 0.32 -4.98 117.16 110.37 1mjg n TYR 666 Ca -0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.78 1mjg n TYR 666 Cb 0.09 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 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 -4.21 -0.72 1.02 0.52 -5.04 120.64 110.48 1mjg n GLU 667 Ca 0.16 1.37 -0.18 0.00 -0.02 0.00 0.00 57.16 58.50 1mjg n GLU 667 Cb 0.33 -5.19 -0.07 0.00 -0.02 0.00 0.00 31.44 26.49 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 0.84 2.62 -4.23 0.54 -5.02 115.64 107.39 1mjg s THR 668 Ca 0.00 -1.85 -0.11 0.00 -1.18 0.00 0.00 61.69 58.55 1mjg s THR 668 Cb -0.00 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.37 1mjg s THR 668 CO 0.77 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 175.41 1mjg s LYS 669 N -3.26 1.76 0.11 3.99 1.02 -1.26 -4.67 119.74 117.42 1mjg s LYS 669 Ca 0.37 0.85 -0.31 0.00 0.02 0.00 0.00 55.97 56.90 1mjg s LYS 669 Cb 0.01 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.39 1mjg s LYS 669 CO 0.25 -1.90 1.23 -1.17 -0.92 0.00 0.00 175.35 172.85 1mjg s LEU 670 N -6.01 4.39 0.26 3.17 2.96 -1.26 -4.77 118.68 117.43 1mjg s LEU 670 Ca 0.62 2.13 -0.30 0.00 -0.22 0.00 0.00 54.13 56.36 1mjg s LEU 670 Cb -0.17 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 1mjg s LEU 670 CO 0.56 -0.48 1.59 0.00 -1.32 0.00 0.00 176.35 176.70 1mjg n GLN 672 N 2.67 2.30 -1.73 0.00 1.13 -1.26 -4.96 117.38 115.53 1mjg n GLN 672 Ca 0.10 -1.95 -0.39 0.00 -1.94 0.00 0.00 57.00 52.82 1mjg n GLN 672 Cb 0.38 -1.48 0.03 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 1.40 0.67 0.00 1.08 0.00 -1.26 -4.95 105.19 102.12 1mjg n GLY 673 Ca 0.18 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1mjg n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60