#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a47 s SER 2 N 0.00 5.42 0.54 0.00 1.04 -1.26 -4.50 113.70 114.95 1a47 s SER 2 Ca 0.00 -0.25 0.23 0.00 0.48 0.00 0.00 55.95 56.41 1a47 s SER 2 Cb 0.00 -1.36 1.44 0.00 0.10 0.00 0.00 66.02 66.19 1a47 s SER 2 CO 0.00 0.00 2.10 -2.24 0.98 0.00 0.00 173.24 174.08 1a47 h ASP 3 N 1.84 0.00 0.71 7.02 2.03 -1.96 0.17 116.42 126.23 1a47 h ASP 3 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1a47 h ASP 3 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1a47 h ASP 3 CO 0.61 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 179.17 1a47 n THR 4 N -4.27 0.15 -1.69 1.15 -2.24 -1.26 -4.77 114.28 101.34 1a47 n THR 4 Ca 0.02 0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 1a47 n THR 4 Cb 0.31 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 67.95 1a47 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a47 n ALA 5 N -1.39 1.28 0.32 6.98 0.00 0.58 -4.84 120.51 123.44 1a47 n ALA 5 Ca 0.10 0.37 0.13 0.00 0.00 0.00 0.00 53.44 54.04 1a47 n ALA 5 Cb 0.26 -2.26 0.59 0.00 0.00 0.00 0.00 19.45 18.04 1a47 n ALA 5 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1a47 h VAL 6 N 2.64 0.00 -0.00 0.00 3.04 -1.88 0.97 116.25 121.02 1a47 h VAL 6 Ca -0.46 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1a47 h VAL 6 Cb 1.28 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1a47 h VAL 6 CO 0.65 0.00 -0.14 -1.54 -1.01 0.00 0.00 177.57 175.53 1a47 n SER 7 N -2.41 0.58 -4.42 3.17 3.41 -1.26 -4.48 113.62 108.20 1a47 n SER 7 Ca 0.01 -0.63 -0.44 0.00 -0.26 0.00 0.00 58.87 57.55 1a47 n SER 7 Cb 0.18 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1a47 n SER 7 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a47 n ASN 8 N -0.90 5.32 0.00 4.04 2.85 0.34 -4.80 115.26 122.11 1a47 n ASN 8 Ca 0.14 -3.00 0.14 0.00 -0.11 0.00 0.00 54.58 51.75 1a47 n ASN 8 Cb 0.29 -1.51 0.65 0.00 1.24 0.00 0.00 39.78 40.45 1a47 n ASN 8 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1a47 n VAL 9 N 4.00 0.06 1.03 3.44 0.31 -1.26 -3.49 118.33 122.42 1a47 n VAL 9 Ca 0.33 0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.79 1a47 n VAL 9 Cb 0.41 -0.53 0.07 0.00 -0.91 0.00 0.00 33.84 32.88 1a47 n VAL 9 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1a47 n VAL 10 N -1.42 0.00 -4.57 2.52 0.31 -1.26 -0.41 118.33 113.51 1a47 n VAL 10 Ca 0.09 -0.07 -0.23 0.00 -0.01 0.00 0.00 64.34 64.13 1a47 n VAL 10 Cb 0.29 0.76 -0.16 0.00 -0.91 0.00 0.00 33.84 33.83 1a47 n VAL 10 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1a47 s ASN 11 N -2.83 1.62 0.00 4.52 3.84 -1.23 -4.69 114.94 116.17 1a47 s ASN 11 Ca 0.13 -0.26 0.00 0.00 0.21 0.00 0.00 52.86 52.94 1a47 s ASN 11 Cb 0.17 -0.51 0.00 0.00 -0.55 0.00 0.00 41.25 40.36 1a47 s ASN 11 CO 0.72 0.08 0.38 -1.22 -2.79 0.00 0.00 177.10 174.28 1a47 n TYR 12 N 3.37 0.00 -0.10 0.43 4.02 -1.26 -4.83 117.16 118.78 1a47 n TYR 12 Ca -0.19 -0.07 0.20 0.00 -0.01 0.00 0.00 57.90 57.83 1a47 n TYR 12 Cb 0.53 -0.01 0.63 0.00 -0.02 0.00 0.00 39.34 40.48 1a47 n TYR 12 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1a47 h SER 13 N 0.00 0.14 -0.07 7.72 0.02 -1.81 0.09 113.55 119.64 1a47 h SER 13 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1a47 h SER 13 Cb 0.41 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1a47 h SER 13 CO 0.00 0.07 0.00 0.35 -1.14 0.00 0.00 176.83 176.11 1a47 n THR 14 N -4.40 0.07 -2.95 -2.27 -2.24 -1.26 -4.62 114.28 96.62 1a47 n THR 14 Ca 0.13 -0.42 -0.19 0.00 -2.27 0.00 0.00 64.05 61.30 1a47 n THR 14 Cb 0.66 0.98 0.04 0.00 -2.10 0.00 0.00 70.33 69.90 1a47 n THR 14 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a47 s ASP 15 N -1.91 5.33 -0.12 3.42 1.01 0.02 -4.20 116.67 120.23 1a47 s ASP 15 Ca 0.33 -0.51 -0.04 0.00 0.71 0.00 0.00 52.55 53.04 1a47 s ASP 15 Cb 0.20 -0.31 0.05 0.00 1.01 0.00 0.00 42.92 43.87 1a47 s ASP 15 CO 0.31 -1.08 0.07 -0.69 0.21 0.00 0.00 175.17 174.00 1a47 s VAL 16 N -2.56 -0.06 0.10 -1.27 1.01 -1.26 -4.31 120.40 112.04 1a47 s VAL 16 Ca 0.58 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1a47 s VAL 16 Cb -0.08 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 1a47 s VAL 16 CO 0.36 -0.09 0.63 -0.63 0.00 0.00 0.00 175.10 175.38 1a47 s ILE 17 N 2.14 4.64 -0.38 2.22 1.01 -0.15 -1.90 121.20 128.79 1a47 s ILE 17 Ca 0.03 1.36 -0.00 0.00 0.00 0.00 0.00 60.65 62.04 1a47 s ILE 17 Cb -0.14 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.46 1a47 s ILE 17 CO -0.07 0.54 0.14 -0.47 0.00 0.00 0.00 174.94 175.08 1a47 s TYR 18 N -1.08 3.64 -0.15 3.97 5.04 0.10 0.28 117.35 129.16 1a47 s TYR 18 Ca 0.31 -2.62 -0.29 0.00 -2.44 0.00 0.00 57.07 52.02 1a47 s TYR 18 Cb -0.20 -3.06 -0.03 0.00 0.35 0.00 0.00 41.96 39.01 1a47 s TYR 18 CO 0.21 -0.96 1.49 -1.14 -1.34 0.00 0.00 175.55 173.81 1a47 s GLN 19 N 1.05 4.08 -0.08 4.97 0.74 0.14 -2.42 119.66 128.13 1a47 s GLN 19 Ca 0.09 1.81 0.03 0.00 0.05 0.00 0.00 55.36 57.33 1a47 s GLN 19 Cb -0.21 -3.92 -0.02 0.00 1.10 0.00 0.00 33.01 29.96 1a47 s GLN 19 CO -0.06 -0.94 -0.15 0.42 -0.55 0.00 0.00 175.29 174.02 1a47 s ILE 20 N 4.19 2.96 -1.00 -2.34 1.01 -0.05 -0.41 121.20 125.55 1a47 s ILE 20 Ca 0.65 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 1a47 s ILE 20 Cb -0.26 -2.18 0.25 0.00 0.01 0.00 0.00 42.46 40.28 1a47 s ILE 20 CO 0.24 0.57 0.97 -0.69 0.00 0.00 0.00 174.94 176.03 1a47 s VAL 21 N -0.30 5.68 0.00 2.92 1.01 -1.26 -3.42 120.40 125.03 1a47 s VAL 21 Ca 0.02 -3.21 0.00 0.00 0.00 0.00 0.00 61.98 58.79 1a47 s VAL 21 Cb -0.13 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1a47 s VAL 21 CO 0.03 -1.13 0.00 0.41 0.00 0.00 0.00 175.10 174.41 1a47 n THR 22 N 3.01 0.00 0.21 3.92 -1.04 -1.26 0.35 114.28 119.47 1a47 n THR 22 Ca 0.21 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.26 1a47 n THR 22 Cb 0.41 0.00 0.48 0.00 -1.82 0.00 0.00 70.33 69.40 1a47 n THR 22 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1a47 h ASP 23 N 0.00 0.02 -0.65 8.00 3.58 -1.80 -3.01 116.42 122.57 1a47 h ASP 23 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1a47 h ASP 23 Cb 0.00 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1a47 h ASP 23 CO 0.00 0.21 0.00 0.54 -2.88 0.00 0.00 179.24 177.11 1a47 n ARG 24 N -4.31 3.72 0.00 0.28 5.12 0.15 -1.10 116.66 120.53 1a47 n ARG 24 Ca -0.02 -2.89 0.00 0.00 -1.93 0.00 0.00 57.85 53.01 1a47 n ARG 24 Cb 0.26 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 1a47 n ARG 24 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1a47 n PHE 25 N 1.12 0.00 -3.69 -1.55 7.35 -1.14 -0.58 117.46 118.97 1a47 n PHE 25 Ca 0.26 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.83 1a47 n PHE 25 Cb 0.89 -0.01 -0.12 0.00 0.35 0.00 0.00 39.48 40.58 1a47 n PHE 25 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1a47 s VAL 26 N -0.20 -0.27 -1.14 -2.13 1.01 -1.26 -4.05 120.40 112.36 1a47 s VAL 26 Ca 0.00 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 1a47 s VAL 26 Cb 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 36.38 36.00 1a47 s VAL 26 CO 0.00 0.08 1.49 -0.62 0.00 0.00 0.00 175.10 176.05 1a47 s ASP 27 N 1.93 6.75 0.11 3.32 2.15 -1.26 -1.91 116.67 127.75 1a47 s ASP 27 Ca -0.04 -2.19 0.24 0.00 0.43 0.00 0.00 52.55 50.99 1a47 s ASP 27 Cb -0.11 -2.51 0.94 0.00 -0.30 0.00 0.00 42.92 40.93 1a47 s ASP 27 CO -0.10 -1.17 1.74 0.61 -0.17 0.00 0.00 175.17 176.08 1a47 n GLY 28 N 5.61 -1.41 3.03 2.66 0.00 -1.26 -4.63 105.19 109.19 1a47 n GLY 28 Ca 0.38 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 1a47 n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a47 s ASN 29 N -3.69 -0.02 0.32 1.61 2.47 -1.26 -4.73 114.94 109.62 1a47 s ASN 29 Ca 0.10 0.50 0.17 0.00 0.42 0.00 0.00 52.86 54.04 1a47 s ASN 29 Cb 0.13 1.26 0.21 0.00 -1.45 0.00 0.00 41.25 41.41 1a47 s ASN 29 CO 0.47 -0.28 1.51 0.71 -3.72 0.00 0.00 177.10 175.79 1a47 h THR 30 N 6.17 0.76 0.00 -5.21 1.35 -1.92 -3.26 112.91 110.80 1a47 h THR 30 Ca -0.19 -1.96 -0.01 0.00 -0.55 0.00 0.00 66.41 63.70 1a47 h THR 30 Cb 1.14 2.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.85 1a47 h THR 30 CO 0.23 0.42 -0.04 0.77 -0.25 0.00 0.00 175.52 176.64 1a47 h SER 31 N 0.00 0.00 0.01 5.36 4.64 -1.99 -1.60 113.55 119.96 1a47 h SER 31 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a47 h SER 31 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1a47 h SER 31 CO 0.06 0.04 -0.07 -0.46 -0.87 0.00 0.00 176.83 175.52 1a47 n ASN 32 N -3.64 1.99 -4.74 4.97 0.23 -1.23 -4.96 115.26 107.88 1a47 n ASN 32 Ca -0.03 -1.60 -0.35 0.00 -0.53 0.00 0.00 54.58 52.07 1a47 n ASN 32 Cb 0.13 0.06 0.06 0.00 -2.08 0.00 0.00 39.78 37.95 1a47 n ASN 32 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1a47 s ASN 33 N -2.10 4.67 0.81 0.53 0.01 -0.60 -4.34 114.94 113.92 1a47 s ASN 33 Ca 0.31 2.41 -0.11 0.00 -0.71 0.00 0.00 52.86 54.76 1a47 s ASN 33 Cb 0.20 -2.60 0.07 0.00 0.41 0.00 0.00 41.25 39.34 1a47 s ASN 33 CO 0.36 -1.94 1.09 -2.84 -1.51 0.00 0.00 177.10 172.26 1a47 s PRO 34 N -3.59 2.01 0.21 -0.60 0.02 -1.26 -5.05 135.00 126.73 1a47 s PRO 34 Ca 0.77 0.71 0.11 0.00 0.02 0.00 0.00 61.00 62.61 1a47 s PRO 34 Cb -0.31 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 1a47 s PRO 34 CO 0.40 -1.69 -0.21 0.99 -0.33 0.00 0.00 177.00 176.16 1a47 s THR 35 N -3.10 2.21 0.00 0.99 2.01 -1.26 -4.40 115.64 112.09 1a47 s THR 35 Ca 0.61 -2.09 0.00 0.00 0.31 0.00 0.00 61.69 60.52 1a47 s THR 35 Cb -0.15 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1a47 s THR 35 CO 0.55 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1a47 n GLY 36 N 0.05 0.86 0.36 4.40 0.00 -1.26 -3.57 105.19 106.03 1a47 n GLY 36 Ca -0.11 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.25 1a47 n GLY 36 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a47 h ASP 37 N 8.94 0.77 -0.63 1.61 3.32 -2.00 -2.48 116.42 125.95 1a47 h ASP 37 Ca 0.00 0.09 0.12 0.00 0.02 0.00 0.00 57.03 57.26 1a47 h ASP 37 Cb 0.00 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.40 1a47 h ASP 37 CO 0.00 0.29 0.13 -0.07 -1.72 0.00 0.00 179.24 177.87 1a47 h LEU 38 N 0.76 -0.01-10.11 1.55 3.38 -1.93 -3.44 115.31 105.50 1a47 h LEU 38 Ca 0.56 0.12 -0.51 0.00 0.09 0.00 0.00 57.88 58.14 1a47 h LEU 38 Cb 0.88 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1a47 h LEU 38 CO -0.35 -0.01 -0.10 -0.47 0.09 0.00 0.00 178.44 177.60 1a47 s TYR 39 N -6.10 3.48 -0.40 1.13 5.04 -0.93 -1.01 117.35 118.56 1a47 s TYR 39 Ca -0.13 0.70 0.04 0.00 -2.44 0.00 0.00 57.07 55.24 1a47 s TYR 39 Cb 0.19 -2.16 0.16 0.00 0.35 0.00 0.00 41.96 40.50 1a47 s TYR 39 CO 0.74 0.12 0.41 0.34 -1.34 0.00 0.00 175.55 175.83 1a47 s ASP 40 N -3.19 0.87 0.46 4.32 2.15 -0.67 -4.82 116.67 115.80 1a47 s ASP 40 Ca 0.45 -1.85 0.20 0.00 0.43 0.00 0.00 52.55 51.78 1a47 s ASP 40 Cb -0.11 0.57 1.19 0.00 -0.30 0.00 0.00 42.92 44.27 1a47 s ASP 40 CO 0.30 -0.22 1.93 1.55 -0.17 0.00 0.00 175.17 178.57 1a47 h PRO 41 N 6.58 0.26 -0.07 4.34 0.13 -1.88 -1.88 132.00 139.47 1a47 h PRO 41 Ca 0.09 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 1a47 h PRO 41 Cb 1.04 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1a47 h PRO 41 CO 0.20 0.17 -0.53 1.79 -0.23 0.00 0.00 178.00 179.40 1a47 h THR 42 N 0.26 1.36 -0.78 1.56 1.35 -1.95 -3.47 112.91 111.23 1a47 h THR 42 Ca 0.35 -1.80 -0.09 0.00 -0.55 0.00 0.00 66.41 64.31 1a47 h THR 42 Cb 1.00 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1a47 h THR 42 CO -0.08 0.53 -0.12 1.41 -0.25 0.00 0.00 175.52 177.01 1a47 n HIS 43 N -3.93 -0.26 -0.09 4.73 8.25 -0.71 -4.94 115.22 118.27 1a47 n HIS 43 Ca -0.02 0.02 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1a47 n HIS 43 Cb 0.56 -1.69 -0.12 0.00 1.12 0.00 0.00 29.99 29.86 1a47 n HIS 43 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1a47 n THR 44 N -3.93 1.16 -2.63 1.59 -2.24 -1.26 -4.80 114.28 102.16 1a47 n THR 44 Ca -0.05 -0.62 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1a47 n THR 44 Cb 0.54 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1a47 n THR 44 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a47 s SER 45 N -5.37 6.44 0.37 3.42 0.15 -1.26 -4.88 113.70 112.56 1a47 s SER 45 Ca -0.15 -1.32 0.18 0.00 0.70 0.00 0.00 55.95 55.36 1a47 s SER 45 Cb 0.06 -2.54 0.97 0.00 -1.71 0.00 0.00 66.02 62.80 1a47 s SER 45 CO 0.61 -1.51 1.48 -0.07 1.20 0.00 0.00 173.24 174.96 1a47 h LEU 46 N 12.43 0.00 -3.13 3.45 3.38 -1.90 -1.86 115.31 127.67 1a47 h LEU 46 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1a47 h LEU 46 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1a47 h LEU 46 CO 1.34 0.00 0.00 0.29 0.09 0.00 0.00 178.44 180.16 1a47 n LYS 47 N -2.22 3.21 -4.26 1.13 5.02 -1.26 -4.86 118.16 114.92 1a47 n LYS 47 Ca -0.01 -2.63 -0.24 0.00 -2.02 0.00 0.00 58.31 53.41 1a47 n LYS 47 Cb 0.25 -1.70 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 1a47 n LYS 47 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a47 s LYS 48 N -2.03 2.16 0.19 1.97 1.02 -0.70 -1.16 119.74 121.19 1a47 s LYS 48 Ca 0.39 -1.74 -0.31 0.00 0.02 0.00 0.00 55.97 54.34 1a47 s LYS 48 Cb 0.27 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 35.51 1a47 s LYS 48 CO 0.15 0.08 1.44 0.71 -0.92 0.00 0.00 175.35 176.80 1a47 s TYR 49 N -2.52 3.13 -0.09 3.18 1.51 -0.18 -4.88 117.35 117.50 1a47 s TYR 49 Ca 0.36 0.94 0.20 0.00 -1.01 0.00 0.00 57.07 57.57 1a47 s TYR 49 Cb 0.00 -3.77 -0.30 0.00 -0.11 0.00 0.00 41.96 37.78 1a47 s TYR 49 CO 0.21 -2.64 0.33 1.19 -1.11 0.00 0.00 175.55 173.52 1a47 n PHE 50 N 3.19 0.00 0.00 2.71 3.72 -1.26 -1.67 117.46 124.15 1a47 n PHE 50 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1a47 n PHE 50 Cb 0.41 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 1a47 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a47 n GLY 51 N 1.45 0.88 3.71 1.37 0.00 -1.25 -4.84 105.19 106.51 1a47 n GLY 51 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1a47 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a47 n GLY 52 N -0.49 1.20 3.31 -0.02 0.00 -0.26 -4.18 105.19 104.75 1a47 n GLY 52 Ca 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 1a47 n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1a47 s ASP 53 N 0.63 0.14 0.45 1.61 1.47 -0.81 -3.97 116.67 116.20 1a47 s ASP 53 Ca 0.69 -1.28 0.11 0.00 1.18 0.00 0.00 52.55 53.26 1a47 s ASP 53 Cb -0.57 0.44 1.03 0.00 -0.34 0.00 0.00 42.92 43.49 1a47 s ASP 53 CO 0.44 -0.93 2.07 -0.50 0.68 0.00 0.00 175.17 176.93 1a47 h TRP 54 N 2.50 0.33 -0.28 2.11 6.55 -1.74 -0.99 115.95 124.44 1a47 h TRP 54 Ca -0.33 0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.46 1a47 h TRP 54 Cb 1.25 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 29.42 1a47 h TRP 54 CO 0.42 0.20 -0.09 0.37 -1.05 0.00 0.00 178.44 178.29 1a47 h GLN 55 N 0.35 0.45 -0.44 0.49 5.75 -1.89 -1.55 115.11 118.28 1a47 h GLN 55 Ca 0.13 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1a47 h GLN 55 Cb 0.09 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1a47 h GLN 55 CO -0.03 0.55 -0.02 0.78 -2.65 0.00 0.00 178.83 177.46 1a47 h GLY 56 N 0.86 0.78 0.89 2.39 0.00 -1.25 -1.69 103.07 105.05 1a47 h GLY 56 Ca 0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1a47 h GLY 56 CO 0.02 0.48 -0.15 -2.22 0.00 0.00 0.00 176.54 174.67 1a47 h ILE 57 N 0.68 1.30 -0.83 2.60 2.04 -1.27 -2.64 117.51 119.38 1a47 h ILE 57 Ca 0.13 -1.26 0.11 0.00 1.00 0.00 0.00 64.86 64.84 1a47 h ILE 57 Cb 0.45 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 1a47 h ILE 57 CO 0.02 0.40 0.54 0.40 0.00 0.00 0.00 178.15 179.51 1a47 h ILE 58 N 0.33 0.93 -0.38 -0.67 2.04 -0.99 -1.17 117.51 117.60 1a47 h ILE 58 Ca 0.06 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1a47 h ILE 58 Cb 0.67 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1a47 h ILE 58 CO 0.04 0.14 -0.06 0.78 0.00 0.00 0.00 178.15 179.05 1a47 h ASN 59 N 0.76 0.72 0.65 1.72 2.35 -1.12 -1.34 115.58 119.32 1a47 h ASN 59 Ca 0.39 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1a47 h ASN 59 Cb 0.49 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1a47 h ASN 59 CO -0.16 0.90 -0.02 0.11 -1.65 0.00 0.00 177.43 176.61 1a47 h LYS 60 N 0.53 0.00 0.00 0.81 6.56 -0.89 0.38 116.57 123.96 1a47 h LYS 60 Ca 0.10 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.66 1a47 h LYS 60 Cb 0.57 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.22 1a47 h LYS 60 CO 0.03 0.02 -0.20 0.82 -2.06 0.00 0.00 179.45 178.06 1a47 h ILE 61 N 0.00 1.36 0.00 1.86 2.04 -0.98 -2.74 117.51 119.05 1a47 h ILE 61 Ca -0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 64.86 63.73 1a47 h ILE 61 Cb 0.35 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1a47 h ILE 61 CO 0.00 0.46 -0.19 0.78 0.00 0.00 0.00 178.15 179.21 1a47 h ASN 62 N -1.00 0.00 0.77 1.72 -0.26 -1.06 -2.78 115.58 112.96 1a47 h ASN 62 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1a47 h ASN 62 Cb 0.89 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 1a47 h ASN 62 CO -0.03 0.19 -0.27 -0.90 -1.06 0.00 0.00 177.43 175.35 1a47 n ASP 63 N -3.96 0.30 0.00 5.81 5.75 0.11 -4.95 116.55 119.60 1a47 n ASP 63 Ca -0.02 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1a47 n ASP 63 Cb 0.27 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1a47 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a47 n GLY 64 N 1.49 0.72 0.36 6.12 0.00 -1.05 -4.99 105.19 107.83 1a47 n GLY 64 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1a47 n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1a47 h TYR 65 N 0.00 -0.90 0.22 1.61 3.20 -1.74 -0.15 116.97 119.20 1a47 h TYR 65 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1a47 h TYR 65 Cb 0.00 0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1a47 h TYR 65 CO 0.00 -0.51 -0.11 -0.07 -1.64 0.00 0.00 178.16 175.84 1a47 h LEU 66 N -0.84 -0.25 -0.64 2.82 3.38 -1.86 -3.01 115.31 114.91 1a47 h LEU 66 Ca -0.07 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1a47 h LEU 66 Cb 0.67 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 1a47 h LEU 66 CO 0.08 -0.05 0.24 0.71 0.09 0.00 0.00 178.44 179.51 1a47 h THR 67 N -0.45 0.75 0.00 0.22 1.35 -1.82 0.46 112.91 113.42 1a47 h THR 67 Ca -0.03 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1a47 h THR 67 Cb 0.34 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1a47 h THR 67 CO 0.05 0.08 -0.01 1.23 -0.25 0.00 0.00 175.52 176.61 1a47 h GLY 68 N 0.42 0.00 1.98 5.82 0.00 -0.98 -1.21 103.07 109.09 1a47 h GLY 68 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.57 1a47 h GLY 68 CO -0.33 0.00 -0.42 1.98 0.00 0.00 0.00 176.54 177.77 1a47 h MET 69 N 0.00 0.00 0.00 4.80 -1.53 -0.77 -3.45 114.93 113.98 1a47 h MET 69 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1a47 h MET 69 Cb 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1a47 h MET 69 CO 0.00 0.40 0.00 0.41 0.14 0.00 0.00 176.91 177.86 1a47 n GLY 70 N 1.20 1.02 3.70 1.39 0.00 -0.46 -2.20 105.19 109.84 1a47 n GLY 70 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1a47 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a47 s VAL 71 N -2.00 3.81 -1.12 1.61 1.01 -1.20 -4.69 120.40 117.82 1a47 s VAL 71 Ca 0.00 1.24 0.15 0.00 0.00 0.00 0.00 61.98 63.37 1a47 s VAL 71 Cb 0.00 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1a47 s VAL 71 CO 0.00 0.04 0.74 0.35 0.00 0.00 0.00 175.10 176.23 1a47 n THR 72 N 4.33 0.00 -3.64 3.92 -2.24 -0.80 -4.65 114.28 111.20 1a47 n THR 72 Ca 0.11 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1a47 n THR 72 Cb 0.45 1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 1a47 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a47 s ALA 73 N -1.99 -1.29 -0.04 6.98 0.00 -0.87 -1.19 121.76 123.37 1a47 s ALA 73 Ca 0.10 0.93 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1a47 s ALA 73 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1a47 s ALA 73 CO 0.45 -0.31 -0.17 0.96 0.00 0.00 0.00 175.76 176.69 1a47 s ILE 74 N -1.05 1.43 -0.37 0.00 -4.36 -0.27 0.01 121.20 116.58 1a47 s ILE 74 Ca -0.11 -0.73 -0.02 0.00 -0.26 0.00 0.00 60.65 59.54 1a47 s ILE 74 Cb -0.03 -1.22 0.09 0.00 1.25 0.00 0.00 42.46 42.55 1a47 s ILE 74 CO 0.06 0.41 0.12 0.86 0.24 0.00 0.00 174.94 176.64 1a47 s TRP 75 N -0.05 3.50 0.45 1.37 -0.00 -1.02 -0.19 118.94 123.00 1a47 s TRP 75 Ca -0.02 -2.27 -0.00 0.00 -0.00 0.00 0.00 56.10 53.81 1a47 s TRP 75 Cb -0.11 -2.83 -0.01 0.00 -0.00 0.00 0.00 33.47 30.53 1a47 s TRP 75 CO 0.02 -0.91 0.67 0.96 -0.00 0.00 0.00 176.95 177.69 1a47 s ILE 76 N 1.16 4.11 0.88 5.86 -4.36 -0.63 -0.88 121.20 127.35 1a47 s ILE 76 Ca 0.04 -0.45 -0.11 0.00 -0.26 0.00 0.00 60.65 59.87 1a47 s ILE 76 Cb -0.21 -3.52 0.12 0.00 1.25 0.00 0.00 42.46 40.10 1a47 s ILE 76 CO -0.03 -0.38 1.10 -0.44 0.24 0.00 0.00 174.94 175.42 1a47 s SER 77 N -4.20 3.47 -0.13 4.36 0.01 -1.22 -2.50 113.70 113.48 1a47 s SER 77 Ca 0.48 1.73 -0.37 0.00 1.31 0.00 0.00 55.95 59.10 1a47 s SER 77 Cb -0.10 -2.37 -0.14 0.00 0.21 0.00 0.00 66.02 63.62 1a47 s SER 77 CO 0.38 -2.68 1.73 1.67 0.41 0.00 0.00 173.24 174.75 1a47 n GLN 78 N -3.93 1.58 0.04 12.44 7.27 -1.26 -4.35 117.38 129.17 1a47 n GLN 78 Ca 0.08 0.58 0.14 0.00 0.07 0.00 0.00 57.00 57.87 1a47 n GLN 78 Cb 0.54 -2.32 0.54 0.00 2.41 0.00 0.00 30.24 31.41 1a47 n GLN 78 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1a47 n PRO 79 N 5.31 0.09 -1.90 3.69 -0.04 -1.26 -4.78 135.00 136.11 1a47 n PRO 79 Ca 0.23 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.44 1a47 n PRO 79 Cb 0.21 -1.61 0.03 0.00 -0.04 0.00 0.00 33.50 32.08 1a47 n PRO 79 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a47 s VAL 80 N -3.04 3.73 0.17 0.52 -7.23 -1.26 -1.21 120.40 112.09 1a47 s VAL 80 Ca 0.13 0.77 -0.33 0.00 -1.81 0.00 0.00 61.98 60.73 1a47 s VAL 80 Cb 0.17 -3.32 -0.14 0.00 0.56 0.00 0.00 36.38 33.65 1a47 s VAL 80 CO 0.56 -0.53 1.59 1.21 -0.31 0.00 0.00 175.10 177.61 1a47 n GLU 81 N -2.31 2.24 -4.15 4.82 2.13 0.10 -4.18 120.64 119.30 1a47 n GLU 81 Ca 0.09 0.81 -0.23 0.00 0.66 0.00 0.00 57.16 58.49 1a47 n GLU 81 Cb 0.53 -2.58 -0.06 0.00 0.27 0.00 0.00 31.44 29.60 1a47 n GLU 81 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1a47 s ASN 82 N 0.90 4.79 0.76 4.31 0.01 -1.26 0.25 114.94 124.71 1a47 s ASN 82 Ca 0.77 -0.64 -0.15 0.00 -0.71 0.00 0.00 52.86 52.13 1a47 s ASN 82 Cb -0.65 -0.87 0.04 0.00 0.41 0.00 0.00 41.25 40.18 1a47 s ASN 82 CO 0.38 -0.17 1.12 2.30 -1.51 0.00 0.00 177.10 179.22 1a47 n ILE 83 N -1.09 2.68 0.74 0.60 -5.35 -0.94 -4.76 119.36 111.24 1a47 n ILE 83 Ca -0.05 -0.30 0.08 0.00 -0.27 0.00 0.00 62.75 62.21 1a47 n ILE 83 Cb 0.60 -1.20 0.03 0.00 -1.74 0.00 0.00 39.64 37.33 1a47 n ILE 83 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1a47 n TYR 84 N -2.84 0.00 -2.73 4.28 4.01 -1.26 -4.57 117.16 114.05 1a47 n TYR 84 Ca 0.14 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.51 1a47 n TYR 84 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 1a47 n TYR 84 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a47 s ALA 85 N -1.75 3.16 -0.66 -0.72 0.00 -1.26 -4.96 121.76 115.58 1a47 s ALA 85 Ca 0.17 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.52 1a47 s ALA 85 Cb 0.14 -3.20 0.15 0.00 0.00 0.00 0.00 23.12 20.21 1a47 s ALA 85 CO 0.34 0.08 0.66 0.08 0.00 0.00 0.00 175.76 176.92 1a47 s VAL 86 N -1.69 5.22 0.68 0.00 1.01 -1.26 -4.64 120.40 119.72 1a47 s VAL 86 Ca 0.53 -1.70 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 1a47 s VAL 86 Cb -0.18 -4.44 0.01 0.00 0.00 0.00 0.00 36.38 31.77 1a47 s VAL 86 CO 0.24 -1.01 1.24 -0.76 0.00 0.00 0.00 175.10 174.80 1a47 s LEU 87 N 1.45 3.47 0.22 3.92 1.43 0.14 -4.68 118.68 124.63 1a47 s LEU 87 Ca 0.11 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.37 1a47 s LEU 87 Cb -0.21 -4.60 -0.09 0.00 0.03 0.00 0.00 46.19 41.32 1a47 s LEU 87 CO -0.01 -2.05 1.06 -2.16 0.23 0.00 0.00 176.35 173.42 1a47 s PRO 88 N -3.63 4.67 -0.02 1.29 0.04 -1.26 0.25 135.00 136.34 1a47 s PRO 88 Ca 0.78 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 63.50 1a47 s PRO 88 Cb -0.32 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 30.99 1a47 s PRO 88 CO 0.41 0.22 0.04 0.34 0.04 0.00 0.00 177.00 178.05 1a47 s ASP 89 N -0.60 0.03 0.06 6.66 2.15 -1.26 -4.71 116.67 119.00 1a47 s ASP 89 Ca 0.46 0.07 -0.14 0.00 0.43 0.00 0.00 52.55 53.37 1a47 s ASP 89 Cb -0.29 -0.02 -0.27 0.00 -0.30 0.00 0.00 42.92 42.04 1a47 s ASP 89 CO 0.36 -0.11 1.13 0.77 -0.17 0.00 0.00 175.17 177.16 1a47 h SER 90 N 7.08 0.89 0.00 -0.34 4.64 -1.96 -0.38 113.55 123.48 1a47 h SER 90 Ca -0.42 -0.79 -0.00 0.00 -0.47 0.00 0.00 61.79 60.12 1a47 h SER 90 Cb 1.14 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1a47 h SER 90 CO 0.48 1.59 -0.00 0.74 -0.87 0.00 0.00 176.83 178.76 1a47 h THR 91 N 0.31 1.59 -0.01 2.95 2.02 -1.98 -3.38 112.91 114.42 1a47 h THR 91 Ca -0.17 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1a47 h THR 91 Cb 1.85 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 71.24 1a47 h THR 91 CO 0.23 0.53 -0.78 0.49 0.37 0.00 0.00 175.52 176.36 1a47 n PHE 92 N -4.65 0.00 -3.49 3.16 3.01 -1.26 -5.00 117.46 109.22 1a47 n PHE 92 Ca -0.09 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.16 1a47 n PHE 92 Cb 0.42 -0.01 0.06 0.00 -0.01 0.00 0.00 39.48 39.93 1a47 n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a47 n GLY 93 N 1.47 -0.79 0.00 1.37 0.00 -0.15 -4.90 105.19 102.18 1a47 n GLY 93 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1a47 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a47 n GLY 94 N -1.41 4.16 2.78 -0.02 0.00 -1.24 -4.77 105.19 104.69 1a47 n GLY 94 Ca -0.16 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 1a47 n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a47 s SER 95 N 0.00 2.01 0.54 1.61 0.15 0.14 -4.47 113.70 113.68 1a47 s SER 95 Ca 0.00 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.37 1a47 s SER 95 Cb 0.00 -0.54 0.02 0.00 -1.71 0.00 0.00 66.02 63.79 1a47 s SER 95 CO 0.00 -0.21 0.15 0.42 1.20 0.00 0.00 173.24 174.80 1a47 s THR 96 N 1.90 1.20 -0.46 6.45 -4.23 -0.31 0.24 115.64 120.43 1a47 s THR 96 Ca 0.03 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1a47 s THR 96 Cb -0.13 -2.02 0.35 0.00 1.34 0.00 0.00 72.50 72.03 1a47 s THR 96 CO -0.06 0.00 1.22 -1.54 -0.54 0.00 0.00 174.62 173.70 1a47 n SER 97 N -1.49 3.24 -0.22 3.99 3.41 -1.26 -4.52 113.62 116.77 1a47 n SER 97 Ca -0.15 -2.56 0.27 0.00 -0.26 0.00 0.00 58.87 56.17 1a47 n SER 97 Cb 0.66 -0.62 0.66 0.00 -0.26 0.00 0.00 64.21 64.66 1a47 n SER 97 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1a47 h TYR 98 N 1.24 0.17 0.00 7.33 -0.00 -1.90 0.14 116.97 123.95 1a47 h TYR 98 Ca 0.12 0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 58.84 1a47 h TYR 98 Cb 1.47 -0.05 -0.00 0.00 -0.00 0.00 0.00 36.73 38.14 1a47 h TYR 98 CO 0.60 0.03 -0.10 1.12 -0.00 0.00 0.00 178.16 179.82 1a47 h HIS 99 N 0.12 0.00 -0.12 0.10 2.07 -1.97 -3.41 115.15 111.94 1a47 h HIS 99 Ca 0.46 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.93 1a47 h HIS 99 Cb 1.63 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.58 1a47 h HIS 99 CO -0.00 0.10 -0.05 0.41 -3.07 0.00 0.00 177.93 175.32 1a47 n GLY 100 N 0.78 0.59 0.24 6.13 0.00 0.48 -4.46 105.19 108.94 1a47 n GLY 100 Ca 0.03 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1a47 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a47 n TYR 101 N -2.90 0.00 -3.33 1.61 4.01 -1.26 -4.41 117.16 110.88 1a47 n TYR 101 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 1a47 n TYR 101 Cb 0.10 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1a47 n TYR 101 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1a47 n TRP 102 N -0.72 4.08 -1.72 -0.72 8.01 -1.26 -4.84 117.44 120.27 1a47 n TRP 102 Ca 0.10 -3.62 -0.38 0.00 -1.31 0.00 0.00 57.50 52.29 1a47 n TRP 102 Cb 0.37 -1.36 0.06 0.00 -2.01 0.00 0.00 31.31 28.36 1a47 n TRP 102 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1a47 n ALA 103 N 2.07 1.19 0.00 6.99 0.00 -0.45 -2.20 120.51 128.11 1a47 n ALA 103 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1a47 n ALA 103 Cb 0.37 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1a47 n ALA 103 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1a47 n ARG 104 N -1.44 1.07 -3.21 0.00 0.63 0.14 -3.88 116.66 109.96 1a47 n ARG 104 Ca 0.14 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.05 1a47 n ARG 104 Cb 0.46 -0.70 -0.03 0.00 0.45 0.00 0.00 32.46 32.65 1a47 n ARG 104 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1a47 s ASP 105 N -2.32 -0.81 0.00 6.15 -1.08 -1.04 -1.50 116.67 116.06 1a47 s ASP 105 Ca 0.00 0.13 0.16 0.00 -0.52 0.00 0.00 52.55 52.31 1a47 s ASP 105 Cb 0.00 1.69 0.86 0.00 -1.46 0.00 0.00 42.92 44.01 1a47 s ASP 105 CO 0.00 -0.31 1.40 0.49 0.52 0.00 0.00 175.17 177.27 1a47 n PHE 106 N 5.40 0.00 0.69 -5.34 3.01 -1.26 -2.38 117.46 117.57 1a47 n PHE 106 Ca 0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.57 1a47 n PHE 106 Cb 0.52 -0.15 0.08 0.00 -0.01 0.00 0.00 39.48 39.91 1a47 n PHE 106 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1a47 n LYS 107 N -1.15 1.42 -4.30 -1.08 5.02 -1.26 -4.78 118.16 112.03 1a47 n LYS 107 Ca 0.09 -1.55 -0.16 0.00 -2.02 0.00 0.00 58.31 54.68 1a47 n LYS 107 Cb 0.09 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 1a47 n LYS 107 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1a47 s ARG 108 N -1.42 1.22 0.56 1.97 0.52 -1.00 -4.89 118.95 115.90 1a47 s ARG 108 Ca 0.20 -1.57 -0.04 0.00 -0.52 0.00 0.00 55.73 53.81 1a47 s ARG 108 Cb 0.14 -0.67 0.01 0.00 0.52 0.00 0.00 34.95 34.95 1a47 s ARG 108 CO 0.22 0.01 0.84 0.95 0.02 0.00 0.00 175.30 177.33 1a47 s THR 109 N -3.33 3.62 -0.42 0.02 -4.23 -1.26 -0.72 115.64 109.32 1a47 s THR 109 Ca 0.23 -0.18 -0.26 0.00 -1.18 0.00 0.00 61.69 60.29 1a47 s THR 109 Cb 0.04 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.49 1a47 s THR 109 CO 0.05 -0.38 0.97 0.21 -0.54 0.00 0.00 174.62 174.93 1a47 s ASN 110 N -4.30 6.62 0.53 3.99 3.84 -0.35 -3.77 114.94 121.50 1a47 s ASN 110 Ca 0.53 0.41 0.33 0.00 0.21 0.00 0.00 52.86 54.34 1a47 s ASN 110 Cb -0.10 -2.48 1.49 0.00 -0.55 0.00 0.00 41.25 39.61 1a47 s ASN 110 CO 0.43 -1.01 1.85 -0.65 -2.79 0.00 0.00 177.10 174.93 1a47 h PRO 111 N 8.82 0.03 0.00 0.43 0.11 -1.92 0.19 132.00 139.66 1a47 h PRO 111 Ca -0.23 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 1a47 h PRO 111 Cb 1.07 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1a47 h PRO 111 CO 1.03 0.02 -0.35 1.88 -0.21 0.00 0.00 178.00 180.36 1a47 h TYR 112 N 0.03 0.00 0.18 0.65 0.05 -1.91 -3.27 116.97 112.69 1a47 h TYR 112 Ca 0.49 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.93 1a47 h TYR 112 Cb 1.93 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.68 1a47 h TYR 112 CO -0.00 0.35 -1.67 0.74 -1.05 0.00 0.00 178.16 176.53 1a47 h PHE 113 N 0.00 0.68 0.00 4.88 0.04 -0.95 -3.43 116.94 118.15 1a47 h PHE 113 Ca -0.00 -0.50 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1a47 h PHE 113 Cb 1.24 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1a47 h PHE 113 CO 0.00 1.59 0.00 0.41 -0.60 0.00 0.00 178.31 179.71 1a47 n GLY 114 N 1.80 -0.78 3.95 -1.45 0.00 -0.43 -2.13 105.19 106.14 1a47 n GLY 114 Ca -0.22 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 1a47 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a47 s SER 115 N -1.96 5.15 0.62 1.61 1.04 -1.26 -4.16 113.70 114.73 1a47 s SER 115 Ca 0.00 -0.77 0.32 0.00 0.48 0.00 0.00 55.95 55.98 1a47 s SER 115 Cb 0.00 -0.22 1.77 0.00 0.10 0.00 0.00 66.02 67.67 1a47 s SER 115 CO 0.00 -0.92 2.09 -0.26 0.98 0.00 0.00 173.24 175.12 1a47 h PHE 116 N 0.68 0.00 -0.12 5.02 0.04 -1.97 0.21 116.94 120.80 1a47 h PHE 116 Ca -0.37 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.27 1a47 h PHE 116 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1a47 h PHE 116 CO 0.54 0.00 -0.40 1.15 -0.60 0.00 0.00 178.31 179.00 1a47 h THR 117 N 0.00 1.37 -0.02 -1.55 2.02 -1.99 -1.88 112.91 110.86 1a47 h THR 117 Ca 0.06 -1.72 -0.10 0.00 0.77 0.00 0.00 66.41 65.43 1a47 h THR 117 Cb 0.51 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1a47 h THR 117 CO -0.00 0.51 -0.43 0.44 0.37 0.00 0.00 175.52 176.41 1a47 h ASP 118 N 0.07 0.05 -0.42 4.18 3.32 -1.08 -1.88 116.42 120.66 1a47 h ASP 118 Ca -0.02 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 1a47 h ASP 118 Cb 1.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1a47 h ASP 118 CO 0.09 0.48 -0.29 0.15 -1.72 0.00 0.00 179.24 177.95 1a47 h PHE 119 N 0.04 1.10 -0.21 4.55 3.57 -0.75 -2.29 116.94 122.95 1a47 h PHE 119 Ca 0.00 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 1a47 h PHE 119 Cb 0.79 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1a47 h PHE 119 CO 0.00 1.11 0.07 1.96 -2.23 0.00 0.00 178.31 179.22 1a47 h GLN 120 N 0.80 0.32 -0.99 1.11 4.20 -0.99 -0.90 115.11 118.66 1a47 h GLN 120 Ca 0.09 -0.07 0.13 0.00 0.06 0.00 0.00 58.65 58.86 1a47 h GLN 120 Cb 0.86 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.51 1a47 h GLN 120 CO 0.08 0.41 0.62 -0.91 -0.67 0.00 0.00 178.83 178.36 1a47 h ASN 121 N 0.17 0.88 0.26 1.46 2.35 -1.28 0.41 115.58 119.83 1a47 h ASN 121 Ca 0.07 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1a47 h ASN 121 Cb 0.22 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1a47 h ASN 121 CO -0.00 0.45 -0.12 0.25 -1.65 0.00 0.00 177.43 176.36 1a47 h LEU 122 N 0.94 -0.29 -0.10 1.61 5.85 -0.98 0.31 115.31 122.64 1a47 h LEU 122 Ca 0.50 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.16 1a47 h LEU 122 Cb 0.56 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1a47 h LEU 122 CO -0.27 -0.09 -0.05 0.40 -0.34 0.00 0.00 178.44 178.09 1a47 h ILE 123 N -0.49 0.83 0.42 4.05 1.08 -0.17 0.83 117.51 124.06 1a47 h ILE 123 Ca -0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 1a47 h ILE 123 Cb 0.36 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1a47 h ILE 123 CO 0.06 0.00 -0.20 0.78 -0.69 0.00 0.00 178.15 178.09 1a47 h ASN 124 N -0.05 -0.48 -0.54 1.72 2.35 -0.18 -0.47 115.58 117.94 1a47 h ASN 124 Ca 0.06 -0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1a47 h ASN 124 Cb 0.14 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 1a47 h ASN 124 CO -0.13 -0.28 0.19 0.74 -1.65 0.00 0.00 177.43 176.29 1a47 h THR 125 N -0.64 0.80 -0.53 2.81 2.02 -0.31 0.21 112.91 117.28 1a47 h THR 125 Ca -0.06 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1a47 h THR 125 Cb 0.48 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1a47 h THR 125 CO 0.10 0.07 0.29 0.00 0.37 0.00 0.00 175.52 176.35 1a47 h ALA 126 N 1.36 0.68 -0.40 6.16 0.00 -0.69 -2.29 119.26 124.10 1a47 h ALA 126 Ca 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1a47 h ALA 126 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1a47 h ALA 126 CO -0.27 -0.02 0.05 0.45 0.00 0.00 0.00 179.25 179.46 1a47 h HIS 127 N 0.58 0.71 -0.07 0.00 -0.00 -0.14 0.42 115.15 116.65 1a47 h HIS 127 Ca 0.22 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1a47 h HIS 127 Cb 0.09 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1a47 h HIS 127 CO -0.08 0.71 0.11 0.00 -0.00 0.00 0.00 177.93 178.67 1a47 h ALA 128 N 0.92 1.50 -0.37 2.45 0.00 -0.26 0.90 119.26 124.41 1a47 h ALA 128 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a47 h ALA 128 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a47 h ALA 128 CO 0.01 -0.15 0.00 0.72 0.00 0.00 0.00 179.25 179.83 1a47 n HIS 129 N -3.57 0.47 -2.15 0.00 8.25 -0.89 -4.97 115.22 112.35 1a47 n HIS 129 Ca -0.01 -0.27 -0.07 0.00 -0.26 0.00 0.00 57.72 57.11 1a47 n HIS 129 Cb 0.20 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 1a47 n HIS 129 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a47 n ASN 130 N 1.30 -2.58 -4.39 0.41 3.02 0.31 -5.04 115.26 108.29 1a47 n ASN 130 Ca 0.17 -0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.38 1a47 n ASN 130 Cb 0.55 -1.89 -0.14 0.00 -0.61 0.00 0.00 39.78 37.69 1a47 n ASN 130 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a47 s ILE 131 N -2.36 3.33 0.22 2.41 1.01 0.14 -4.82 121.20 121.14 1a47 s ILE 131 Ca 0.01 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 59.86 1a47 s ILE 131 Cb -0.00 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.94 1a47 s ILE 131 CO 0.01 0.50 0.83 -0.54 0.00 0.00 0.00 174.94 175.73 1a47 s LYS 132 N 0.59 4.56 -0.26 2.79 1.02 -0.33 -3.47 119.74 124.63 1a47 s LYS 132 Ca -0.06 1.19 -0.08 0.00 0.02 0.00 0.00 55.97 57.05 1a47 s LYS 132 Cb -0.15 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1a47 s LYS 132 CO 0.03 0.47 0.08 0.08 -0.92 0.00 0.00 175.35 175.09 1a47 s VAL 133 N -1.32 4.32 -0.08 3.17 1.01 -1.26 -1.12 120.40 125.12 1a47 s VAL 133 Ca 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1a47 s VAL 133 Cb -0.21 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1a47 s VAL 133 CO 0.26 0.29 0.00 -0.63 0.00 0.00 0.00 175.10 175.02 1a47 s ILE 134 N 1.61 4.30 0.08 2.22 1.01 0.74 -0.91 121.20 130.25 1a47 s ILE 134 Ca 0.06 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.51 1a47 s ILE 134 Cb -0.15 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1a47 s ILE 134 CO 0.04 0.58 -0.22 0.27 0.00 0.00 0.00 174.94 175.61 1a47 s ILE 135 N -0.91 1.78 0.24 2.92 -4.36 -0.91 -1.60 121.20 118.37 1a47 s ILE 135 Ca 0.14 -1.45 -0.27 0.00 -0.26 0.00 0.00 60.65 58.81 1a47 s ILE 135 Cb -0.11 -1.59 -0.09 0.00 1.25 0.00 0.00 42.46 41.92 1a47 s ILE 135 CO 0.03 0.07 0.88 -0.62 0.24 0.00 0.00 174.94 175.54 1a47 s ASP 136 N -1.65 7.46 -0.07 4.36 -1.08 -1.04 -0.11 116.67 124.55 1a47 s ASP 136 Ca 0.08 1.80 -0.03 0.00 -0.52 0.00 0.00 52.55 53.88 1a47 s ASP 136 Cb -0.10 -2.56 0.04 0.00 -1.46 0.00 0.00 42.92 38.85 1a47 s ASP 136 CO 0.03 0.11 0.13 0.12 0.52 0.00 0.00 175.17 176.08 1a47 s PHE 137 N -1.31 -0.11 -0.54 -5.34 5.36 0.40 -4.13 117.98 112.31 1a47 s PHE 137 Ca 0.42 0.49 0.04 0.00 -0.96 0.00 0.00 56.93 56.92 1a47 s PHE 137 Cb -0.23 -0.29 0.14 0.00 -0.34 0.00 0.00 43.02 42.30 1a47 s PHE 137 CO 0.28 -0.23 0.31 0.00 -1.46 0.00 0.00 175.22 174.11 1a47 s ALA 138 N 2.08 3.12 -1.49 11.12 0.00 -1.26 0.28 121.76 135.61 1a47 s ALA 138 Ca 0.02 -3.23 0.07 0.00 0.00 0.00 0.00 51.96 48.82 1a47 s ALA 138 Cb -0.12 -2.09 0.28 0.00 0.00 0.00 0.00 23.12 21.19 1a47 s ALA 138 CO -0.05 -2.04 1.12 -0.35 0.00 0.00 0.00 175.76 174.43 1a47 n PRO 139 N 2.94 1.99 0.06 0.00 -0.04 -1.26 -4.03 135.00 134.65 1a47 n PRO 139 Ca 0.10 -1.09 -0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1a47 n PRO 139 Cb 0.34 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 1a47 n PRO 139 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1a47 h ASN 140 N 1.61 0.00 -3.01 3.54 -1.24 -1.92 -3.45 115.58 111.11 1a47 h ASN 140 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 1a47 h ASN 140 Cb 0.65 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.70 1a47 h ASN 140 CO 0.07 0.61 0.20 0.00 -1.29 0.00 0.00 177.43 177.03 1a47 n HIS 141 N -3.01 -2.16 0.00 0.67 1.44 -1.26 -1.60 115.22 109.30 1a47 n HIS 141 Ca -0.07 -1.82 0.00 0.00 -2.01 0.00 0.00 57.72 53.83 1a47 n HIS 141 Cb 0.83 0.82 0.00 0.00 0.12 0.00 0.00 29.99 31.76 1a47 n HIS 141 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1a47 n THR 142 N -0.51 0.00 -4.33 0.61 -2.24 -0.93 -4.66 114.28 102.23 1a47 n THR 142 Ca -0.07 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 1a47 n THR 142 Cb 0.56 -0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 1a47 n THR 142 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a47 s SER 143 N -0.02 1.67 -0.07 3.42 1.04 -1.25 -1.34 113.70 117.15 1a47 s SER 143 Ca 0.00 -1.65 -0.30 0.00 0.48 0.00 0.00 55.95 54.48 1a47 s SER 143 Cb 0.00 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1a47 s SER 143 CO 0.00 -0.97 1.49 -2.84 0.98 0.00 0.00 173.24 171.90 1a47 s PRO 144 N -3.67 4.22 0.16 4.02 0.02 -1.26 -0.23 135.00 138.26 1a47 s PRO 144 Ca 0.36 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.39 1a47 s PRO 144 Cb 0.04 -3.82 -0.04 0.00 0.02 0.00 0.00 34.50 30.69 1a47 s PRO 144 CO 0.21 -0.74 0.02 0.00 -0.33 0.00 0.00 177.00 176.15 1a47 s ALA 145 N 3.47 1.23 -0.19 -1.55 0.00 -0.12 -4.26 121.76 120.34 1a47 s ALA 145 Ca 0.66 -1.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1a47 s ALA 145 Cb -0.30 0.62 0.06 0.00 0.00 0.00 0.00 23.12 23.50 1a47 s ALA 145 CO 0.25 -0.36 0.02 0.45 0.00 0.00 0.00 175.76 176.11 1a47 s SER 146 N -3.14 2.92 0.33 0.00 0.15 -1.26 -4.80 113.70 107.90 1a47 s SER 146 Ca 0.24 -0.80 0.04 0.00 0.70 0.00 0.00 55.95 56.12 1a47 s SER 146 Cb 0.06 -0.67 0.64 0.00 -1.71 0.00 0.00 66.02 64.35 1a47 s SER 146 CO 0.03 -0.28 1.92 -0.08 1.20 0.00 0.00 173.24 176.03 1a47 h GLU 147 N 8.21 0.86 -0.46 5.44 4.81 -1.96 -2.19 114.58 129.29 1a47 h GLU 147 Ca -0.17 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 1a47 h GLU 147 Cb 1.11 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1a47 h GLU 147 CO 0.34 0.57 -0.09 1.15 -0.73 0.00 0.00 179.01 180.26 1a47 h THR 148 N 0.89 1.27 -3.51 0.32 2.02 -1.98 -3.40 112.91 108.52 1a47 h THR 148 Ca 0.37 -1.20 -0.64 0.00 0.77 0.00 0.00 66.41 65.70 1a47 h THR 148 Cb 0.28 1.11 -0.40 0.00 -1.74 0.00 0.00 68.15 67.40 1a47 h THR 148 CO -0.14 0.41 -0.70 -0.62 0.37 0.00 0.00 175.52 174.85 1a47 s ASP 149 N -6.47 4.51 0.00 4.18 2.15 -0.83 -4.92 116.67 115.29 1a47 s ASP 149 Ca -0.12 -2.40 0.12 0.00 0.43 0.00 0.00 52.55 50.58 1a47 s ASP 149 Cb 0.11 -1.54 0.70 0.00 -0.30 0.00 0.00 42.92 41.90 1a47 s ASP 149 CO 0.83 -0.33 1.13 -0.81 -0.17 0.00 0.00 175.17 175.82 1a47 n PRO 150 N 3.92 0.39 0.00 4.34 -0.05 -1.23 -1.22 135.00 141.15 1a47 n PRO 150 Ca 0.04 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.61 1a47 n PRO 150 Cb 0.39 -1.47 0.25 0.00 -0.05 0.00 0.00 33.50 32.61 1a47 n PRO 150 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 1a47 n THR 151 N -0.97 0.00 -2.76 0.52 5.66 -1.26 -4.54 114.28 110.93 1a47 n THR 151 Ca 0.09 -0.07 -0.42 0.00 -3.05 0.00 0.00 64.05 60.60 1a47 n THR 151 Cb 0.04 0.44 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 1a47 n THR 151 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1a47 s TYR 152 N -2.77 3.38 0.00 1.09 5.04 -0.36 -4.87 117.35 118.86 1a47 s TYR 152 Ca 0.16 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 1a47 s TYR 152 Cb 0.18 -3.16 0.00 0.00 0.35 0.00 0.00 41.96 39.33 1a47 s TYR 152 CO 0.64 -0.37 0.00 0.00 -1.34 0.00 0.00 175.55 174.48 1a47 n ALA 153 N 5.81 0.00 -0.76 3.97 0.00 -1.26 -1.91 120.51 126.36 1a47 n ALA 153 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1a47 n ALA 153 Cb 0.47 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.17 1a47 n ALA 153 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a47 n GLU 154 N 14.00 3.07 -1.65 0.00 1.02 -1.26 -4.94 120.64 130.88 1a47 n GLU 154 Ca 0.00 -2.67 -0.21 0.00 -0.02 0.00 0.00 57.16 54.27 1a47 n GLU 154 Cb 0.00 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 1a47 n GLU 154 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a47 n ASN 155 N -0.09 -5.50 -2.00 1.62 4.05 -0.80 -1.51 115.26 111.02 1a47 n ASN 155 Ca 0.19 0.47 -0.18 0.00 0.45 0.00 0.00 54.58 55.52 1a47 n ASN 155 Cb 0.79 -4.79 -0.02 0.00 1.23 0.00 0.00 39.78 36.99 1a47 n ASN 155 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1a47 n GLY 156 N -0.48 -0.12 3.71 8.20 0.00 -1.26 0.08 105.19 115.32 1a47 n GLY 156 Ca -0.21 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1a47 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a47 n ARG 157 N -2.72 2.33 -4.38 1.61 1.74 -0.57 -4.46 116.66 110.20 1a47 n ARG 157 Ca -0.21 0.82 -0.34 0.00 -0.77 0.00 0.00 57.85 57.35 1a47 n ARG 157 Cb 0.66 -2.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.45 1a47 n ARG 157 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1a47 s LEU 158 N -0.74 2.65 0.20 0.55 2.96 0.13 -4.67 118.68 119.77 1a47 s LEU 158 Ca 0.61 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 1a47 s LEU 158 Cb -0.56 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1a47 s LEU 158 CO 0.56 0.07 0.05 -0.31 -1.32 0.00 0.00 176.35 175.40 1a47 s TYR 159 N 0.90 2.89 -0.58 5.38 1.51 -0.56 0.20 117.35 127.09 1a47 s TYR 159 Ca -0.03 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1a47 s TYR 159 Cb -0.15 -1.36 0.15 0.00 -0.11 0.00 0.00 41.96 40.50 1a47 s TYR 159 CO -0.00 0.54 0.38 0.34 -1.11 0.00 0.00 175.55 175.69 1a47 s ASP 160 N -3.25 4.08 -1.10 2.29 -1.08 0.14 -4.45 116.67 113.29 1a47 s ASP 160 Ca 0.29 -3.36 -0.04 0.00 -0.52 0.00 0.00 52.55 48.93 1a47 s ASP 160 Cb -0.09 -1.38 0.00 0.00 -1.46 0.00 0.00 42.92 40.00 1a47 s ASP 160 CO 0.20 -0.16 0.94 -3.20 0.52 0.00 0.00 175.17 173.48 1a47 n ASN 161 N 2.61 -3.85 0.00 -0.34 4.05 -1.26 -3.26 115.26 113.21 1a47 n ASN 161 Ca 0.16 -0.50 0.00 0.00 0.45 0.00 0.00 54.58 54.68 1a47 n ASN 161 Cb 0.36 -4.46 0.00 0.00 1.23 0.00 0.00 39.78 36.90 1a47 n ASN 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1a47 n GLY 162 N -1.45 3.05 3.69 8.20 0.00 -1.26 -5.04 105.19 112.38 1a47 n GLY 162 Ca -0.13 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1a47 n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a47 s THR 163 N -0.14 4.39 0.24 2.61 -4.23 -1.20 -4.96 115.64 112.35 1a47 s THR 163 Ca 0.00 1.70 -0.30 0.00 -1.18 0.00 0.00 61.69 61.91 1a47 s THR 163 Cb 0.00 -4.09 -0.10 0.00 1.34 0.00 0.00 72.50 69.65 1a47 s THR 163 CO 0.00 0.02 1.44 -0.22 -0.54 0.00 0.00 174.62 175.31 1a47 s LEU 164 N 2.02 4.39 -0.23 4.79 2.96 -1.26 0.24 118.68 131.59 1a47 s LEU 164 Ca 0.54 2.64 -0.13 0.00 -0.22 0.00 0.00 54.13 56.96 1a47 s LEU 164 Cb -0.23 -3.62 -0.17 0.00 0.50 0.00 0.00 46.19 42.66 1a47 s LEU 164 CO 0.22 -0.69 -0.04 0.18 -1.32 0.00 0.00 176.35 174.70 1a47 n LEU 165 N 2.47 2.20 0.00 -0.68 4.77 0.13 -4.87 117.00 121.01 1a47 n LEU 165 Ca 0.07 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1a47 n LEU 165 Cb 0.40 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1a47 n LEU 165 CO 0.60 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1a47 n GLY 166 N 1.59 1.62 0.16 -0.72 0.00 -1.18 -5.01 105.19 101.64 1a47 n GLY 166 Ca -0.42 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 1a47 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a47 n GLY 167 N -0.61 3.12 0.11 -0.02 0.00 -1.26 -0.69 105.19 105.83 1a47 n GLY 167 Ca 0.00 -2.18 -0.18 0.00 0.00 0.00 0.00 46.02 43.66 1a47 n GLY 167 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1a47 h TYR 168 N 0.54 0.44 -3.70 1.61 3.20 -0.57 -3.40 116.97 115.08 1a47 h TYR 168 Ca -0.01 -0.30 -0.50 0.00 3.14 0.00 0.00 58.73 61.05 1a47 h TYR 168 Cb 0.05 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1a47 h TYR 168 CO 0.00 1.21 0.27 0.99 -1.64 0.00 0.00 178.16 178.99 1a47 s THR 169 N -2.54 4.25 -1.01 1.81 2.01 -1.26 -3.72 115.64 115.18 1a47 s THR 169 Ca -0.15 1.82 -0.04 0.00 0.31 0.00 0.00 61.69 63.63 1a47 s THR 169 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1a47 s THR 169 CO 0.80 0.39 0.56 -3.20 -0.69 0.00 0.00 174.62 172.47 1a47 n ASN 170 N 1.20 -4.77 -3.92 3.53 2.85 -1.26 -4.89 115.26 107.99 1a47 n ASN 170 Ca -0.02 -0.26 -0.42 0.00 -0.11 0.00 0.00 54.58 53.77 1a47 n ASN 170 Cb 0.49 -3.54 -0.00 0.00 1.24 0.00 0.00 39.78 37.97 1a47 n ASN 170 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1a47 n ASP 171 N -1.29 4.03 0.21 1.20 2.03 -1.24 -4.70 116.55 116.79 1a47 n ASP 171 Ca -0.05 -2.85 0.06 0.00 0.52 0.00 0.00 54.79 52.48 1a47 n ASP 171 Cb 0.57 -1.66 0.48 0.00 -0.72 0.00 0.00 41.12 39.79 1a47 n ASP 171 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1a47 h THR 172 N 4.39 0.98 0.00 5.18 1.35 -1.93 -2.90 112.91 119.98 1a47 h THR 172 Ca 0.53 -1.01 -0.09 0.00 -0.55 0.00 0.00 66.41 65.29 1a47 h THR 172 Cb 0.69 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1a47 h THR 172 CO 1.79 0.27 -0.44 0.78 -0.25 0.00 0.00 175.52 177.67 1a47 h ASN 173 N 0.00 0.00 -1.12 5.36 2.35 -1.97 -3.48 115.58 116.73 1a47 h ASN 173 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1a47 h ASN 173 Cb 0.56 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.94 1a47 h ASN 173 CO 0.04 0.44 -0.04 0.61 -1.65 0.00 0.00 177.43 176.82 1a47 n GLY 174 N 0.53 0.76 0.20 2.83 0.00 -1.09 -4.96 105.19 103.45 1a47 n GLY 174 Ca 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.49 1a47 n GLY 174 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1a47 h TYR 175 N -0.15 0.00 -2.23 1.61 0.05 -1.90 -3.44 116.97 110.90 1a47 h TYR 175 Ca -0.04 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.18 1a47 h TYR 175 Cb 1.03 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.63 1a47 h TYR 175 CO 0.03 0.00 -0.66 -0.06 -1.05 0.00 0.00 178.16 176.43 1a47 s PHE 176 N -3.22 2.22 -0.35 4.88 0.08 -1.26 0.23 117.98 120.57 1a47 s PHE 176 Ca 0.07 -0.65 -0.14 0.00 0.12 0.00 0.00 56.93 56.33 1a47 s PHE 176 Cb 0.07 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 41.16 1a47 s PHE 176 CO 0.64 0.39 0.32 -1.01 -0.10 0.00 0.00 175.22 175.47 1a47 s HIS 177 N -2.84 3.22 -0.92 0.36 3.76 -0.01 -4.68 115.29 114.17 1a47 s HIS 177 Ca 0.32 -0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1a47 s HIS 177 Cb 0.05 -2.61 0.33 0.00 1.11 0.00 0.00 32.58 31.46 1a47 s HIS 177 CO 0.15 -0.42 1.76 0.72 -0.85 0.00 0.00 174.74 176.10 1a47 n HIS 178 N 5.30 2.97 -0.77 1.40 -0.00 -1.26 -4.60 115.22 118.26 1a47 n HIS 178 Ca -0.10 -2.67 0.08 0.00 -0.00 0.00 0.00 57.72 55.03 1a47 n HIS 178 Cb 0.49 -1.09 0.24 0.00 -0.00 0.00 0.00 29.99 29.64 1a47 n HIS 178 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1a47 n TYR 179 N -0.20 0.89 -3.40 4.41 4.01 -1.26 -5.09 117.16 116.52 1a47 n TYR 179 Ca 0.47 -0.76 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 1a47 n TYR 179 Cb 0.28 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1a47 n TYR 179 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a47 n GLY 180 N -0.14 -0.68 3.61 2.72 0.00 -1.26 -4.84 105.19 104.60 1a47 n GLY 180 Ca 0.19 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 1a47 n GLY 180 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a47 s GLY 181 N 0.00 1.72 0.41 -0.02 0.00 -1.26 -1.30 107.32 106.87 1a47 s GLY 181 Ca 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 44.72 43.09 1a47 s GLY 181 CO 0.00 -1.50 0.85 -1.08 0.00 0.00 0.00 173.10 171.37 1a47 s THR 182 N -1.82 4.62 0.00 0.90 -1.32 -0.28 -4.69 115.64 113.05 1a47 s THR 182 Ca 0.27 1.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.77 1a47 s THR 182 Cb -0.08 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.23 1a47 s THR 182 CO 0.17 -0.43 0.78 -0.90 -2.21 0.00 0.00 174.62 172.03 1a47 n ASP 183 N -0.99 1.39 -0.63 8.08 5.68 -1.26 -4.78 116.55 124.05 1a47 n ASP 183 Ca 0.05 -1.61 -0.08 0.00 -0.50 0.00 0.00 54.79 52.64 1a47 n ASP 183 Cb 0.54 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1a47 n ASP 183 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1a47 n PHE 184 N -0.31 0.00 -0.32 2.11 3.01 -1.26 -4.88 117.46 115.81 1a47 n PHE 184 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.44 1a47 n PHE 184 Cb 0.25 -2.02 0.11 0.00 -0.01 0.00 0.00 39.48 37.81 1a47 n PHE 184 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1a47 h SER 185 N 0.00 0.96 -5.52 4.37 4.64 -1.95 -3.45 113.55 112.60 1a47 h SER 185 Ca -0.17 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 60.94 1a47 h SER 185 Cb 0.82 -0.22 -0.14 0.00 -0.31 0.00 0.00 62.40 62.54 1a47 h SER 185 CO 0.24 0.67 -0.52 -0.94 -0.87 0.00 0.00 176.83 175.41 1a47 s SER 186 N -5.93 0.11 0.14 4.97 1.04 -1.26 -5.02 113.70 107.75 1a47 s SER 186 Ca -0.13 -1.30 -0.16 0.00 0.48 0.00 0.00 55.95 54.85 1a47 s SER 186 Cb 0.17 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1a47 s SER 186 CO 0.80 -0.90 1.74 0.22 0.98 0.00 0.00 173.24 176.09 1a47 h TYR 187 N 2.55 0.57 -0.03 5.02 3.20 -1.98 -2.61 116.97 123.69 1a47 h TYR 187 Ca -0.34 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.41 1a47 h TYR 187 Cb 1.25 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1a47 h TYR 187 CO 0.36 0.44 -0.44 1.49 -1.64 0.00 0.00 178.16 178.37 1a47 h GLU 188 N 0.53 0.07 -0.48 1.82 4.81 -1.96 -3.11 114.58 116.26 1a47 h GLU 188 Ca 0.14 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1a47 h GLU 188 Cb 0.07 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1a47 h GLU 188 CO -0.02 0.51 0.04 0.22 -0.73 0.00 0.00 179.01 179.03 1a47 h ASP 189 N 0.06 0.79 -0.01 1.04 3.58 -1.88 -2.89 116.42 117.11 1a47 h ASP 189 Ca 0.00 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1a47 h ASP 189 Cb 0.81 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1a47 h ASP 189 CO 0.06 0.88 0.00 0.61 -2.88 0.00 0.00 179.24 177.91 1a47 n GLY 190 N -0.46 -0.83 0.13 -0.78 0.00 -1.01 -2.88 105.19 99.37 1a47 n GLY 190 Ca 0.01 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1a47 n GLY 190 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a47 n ILE 191 N -0.75 1.53 1.32 -0.61 5.41 -1.11 -4.35 119.36 120.80 1a47 n ILE 191 Ca 0.20 -0.32 0.13 0.00 1.00 0.00 0.00 62.75 63.77 1a47 n ILE 191 Cb 0.14 -1.93 0.37 0.00 -0.71 0.00 0.00 39.64 37.51 1a47 n ILE 191 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1a47 n TYR 192 N -4.28 0.00 -4.16 1.39 4.01 -1.14 -4.62 117.16 108.34 1a47 n TYR 192 Ca -0.50 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.01 1a47 n TYR 192 Cb 0.84 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.80 1a47 n TYR 192 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1a47 s ARG 193 N -2.05 2.40 0.18 -0.72 0.52 -1.14 -4.49 118.95 113.66 1a47 s ARG 193 Ca 0.33 -1.45 -0.31 0.00 -0.52 0.00 0.00 55.73 53.79 1a47 s ARG 193 Cb 0.20 -2.21 -0.09 0.00 0.52 0.00 0.00 34.95 33.37 1a47 s ARG 193 CO 0.35 0.23 1.41 -0.80 0.02 0.00 0.00 175.30 176.50 1a47 s ASN 194 N -3.79 6.77 -0.92 0.23 -0.87 -0.42 -4.57 114.94 111.37 1a47 s ASN 194 Ca 0.35 2.48 -0.23 0.00 -1.57 0.00 0.00 52.86 53.89 1a47 s ASN 194 Cb -0.04 -2.60 0.06 0.00 -0.02 0.00 0.00 41.25 38.65 1a47 s ASN 194 CO 0.22 -0.65 1.32 -0.22 -2.57 0.00 0.00 177.10 175.19 1a47 s LEU 195 N 0.37 3.81 0.00 0.60 0.20 -1.26 -1.13 118.68 121.28 1a47 s LEU 195 Ca 0.62 -1.34 0.00 0.00 0.69 0.00 0.00 54.13 54.09 1a47 s LEU 195 Cb -0.39 -2.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.85 1a47 s LEU 195 CO 0.36 -1.48 0.00 0.49 -0.29 0.00 0.00 176.35 175.43 1a47 n PHE 196 N 8.43 0.00 -0.14 5.38 3.72 -1.26 -2.75 117.46 130.84 1a47 n PHE 196 Ca 0.23 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.67 1a47 n PHE 196 Cb 0.50 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.15 1a47 n PHE 196 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1a47 n ASP 197 N 8.47 2.70 -4.71 4.37 5.75 -1.26 -4.77 116.55 127.10 1a47 n ASP 197 Ca 0.00 -2.00 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 1a47 n ASP 197 Cb 0.00 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 1a47 n ASP 197 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1a47 s LEU 198 N -1.01 4.36 -0.29 -2.12 1.43 -1.11 -0.94 118.68 119.00 1a47 s LEU 198 Ca 0.17 2.16 -0.28 0.00 -1.03 0.00 0.00 54.13 55.15 1a47 s LEU 198 Cb 0.09 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1a47 s LEU 198 CO 0.12 -0.59 2.09 0.00 0.23 0.00 0.00 176.35 178.20 1a47 s ALA 199 N 1.30 2.65 0.05 4.21 0.00 0.68 -4.14 121.76 126.52 1a47 s ALA 199 Ca 0.62 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 1a47 s ALA 199 Cb -0.33 -4.09 -0.07 0.00 0.00 0.00 0.00 23.12 18.64 1a47 s ALA 199 CO 0.29 -2.93 1.40 0.34 0.00 0.00 0.00 175.76 174.85 1a47 s ASP 200 N 7.94 6.84 0.19 0.00 2.15 -1.26 -2.19 116.67 130.34 1a47 s ASP 200 Ca 0.92 2.21 -0.29 0.00 0.43 0.00 0.00 52.55 55.82 1a47 s ASP 200 Cb -0.27 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.70 1a47 s ASP 200 CO 0.33 -0.69 0.91 -0.76 -0.17 0.00 0.00 175.17 174.79 1a47 s LEU 201 N 1.85 4.60 -1.05 -1.34 1.43 -0.63 -0.83 118.68 122.71 1a47 s LEU 201 Ca 0.64 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 1a47 s LEU 201 Cb -0.34 -3.53 0.23 0.00 0.03 0.00 0.00 46.19 42.58 1a47 s LEU 201 CO 0.28 0.11 1.11 0.21 0.23 0.00 0.00 176.35 178.29 1a47 s ASN 202 N -0.87 7.08 0.38 2.29 2.47 0.14 -4.71 114.94 121.72 1a47 s ASN 202 Ca 0.41 -3.12 0.26 0.00 0.42 0.00 0.00 52.86 50.83 1a47 s ASN 202 Cb -0.25 -2.27 1.38 0.00 -1.45 0.00 0.00 41.25 38.66 1a47 s ASN 202 CO 0.30 -0.52 1.81 0.06 -3.72 0.00 0.00 177.10 175.03 1a47 h GLN 203 N 7.22 0.00 0.00 0.43 -0.00 -1.93 0.25 115.11 121.08 1a47 h GLN 203 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 1a47 h GLN 203 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.40 1a47 h GLN 203 CO 1.01 0.00 0.00 0.37 -0.00 0.00 0.00 178.83 180.21 1a47 h GLN 204 N 0.00 0.00 -6.32 0.06 5.75 -1.96 -3.30 115.11 109.34 1a47 h GLN 204 Ca 0.00 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.95 1a47 h GLN 204 Cb 0.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1a47 h GLN 204 CO 0.00 0.00 0.84 1.21 -2.65 0.00 0.00 178.83 178.23 1a47 s ASN 205 N -5.22 6.89 0.27 -0.69 3.84 0.07 -4.79 114.94 115.31 1a47 s ASN 205 Ca 0.03 1.99 -0.01 0.00 0.21 0.00 0.00 52.86 55.08 1a47 s ASN 205 Cb 0.09 -2.55 0.61 0.00 -0.55 0.00 0.00 41.25 38.85 1a47 s ASN 205 CO 0.51 -0.71 1.66 0.28 -2.79 0.00 0.00 177.10 176.05 1a47 h SER 206 N 7.95 0.01 -0.56 -4.21 0.02 -1.87 0.49 113.55 115.38 1a47 h SER 206 Ca -0.35 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1a47 h SER 206 Cb 1.16 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.92 1a47 h SER 206 CO 0.91 -0.10 0.32 0.74 -1.14 0.00 0.00 176.83 177.56 1a47 h THR 207 N 0.24 1.18 -0.24 -2.27 2.02 -1.93 -1.76 112.91 110.14 1a47 h THR 207 Ca 0.50 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 1a47 h THR 207 Cb 0.95 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1a47 h THR 207 CO -0.60 0.19 -0.11 0.40 0.37 0.00 0.00 175.52 175.77 1a47 h ILE 208 N 0.75 1.30 -0.54 3.11 1.08 -1.40 0.37 117.51 122.17 1a47 h ILE 208 Ca 0.20 -1.18 0.06 0.00 -0.39 0.00 0.00 64.86 63.55 1a47 h ILE 208 Cb 0.02 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 1a47 h ILE 208 CO -0.03 0.37 0.24 -0.78 -0.69 0.00 0.00 178.15 177.25 1a47 h ASP 209 N 0.23 0.31 -0.44 1.72 3.58 -0.87 0.57 116.42 121.52 1a47 h ASP 209 Ca 0.06 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 1a47 h ASP 209 Cb 0.61 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1a47 h ASP 209 CO 0.03 0.20 -0.19 0.28 -2.88 0.00 0.00 179.24 176.69 1a47 h SER 210 N 0.46 0.92 -0.45 2.28 0.02 -1.24 -2.65 113.55 112.89 1a47 h SER 210 Ca 0.25 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1a47 h SER 210 Cb 0.23 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1a47 h SER 210 CO -0.22 1.11 0.23 0.22 -1.14 0.00 0.00 176.83 177.04 1a47 h TYR 211 N 0.73 0.63 -0.46 3.45 3.20 -0.35 -1.79 116.97 122.39 1a47 h TYR 211 Ca 0.10 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 1a47 h TYR 211 Cb 0.75 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1a47 h TYR 211 CO 0.05 0.49 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.91 1a47 h LEU 212 N 0.59 0.80 -0.40 2.82 3.38 -0.90 -0.07 115.31 121.54 1a47 h LEU 212 Ca 0.16 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1a47 h LEU 212 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1a47 h LEU 212 CO -0.02 0.92 -0.25 0.11 0.09 0.00 0.00 178.44 179.28 1a47 h LYS 213 N 0.74 0.88 -0.14 1.13 1.57 -1.33 -2.54 116.57 116.88 1a47 h LYS 213 Ca 0.13 -0.41 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 1a47 h LYS 213 Cb 0.57 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1a47 h LYS 213 CO 0.04 1.06 -0.59 0.66 -0.57 0.00 0.00 179.45 180.04 1a47 h SER 214 N 0.69 0.52 -0.74 0.86 4.64 -1.23 -2.98 113.55 115.31 1a47 h SER 214 Ca 0.08 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1a47 h SER 214 Cb 0.83 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 1a47 h SER 214 CO 0.07 0.99 0.43 0.00 -0.87 0.00 0.00 176.83 177.45 1a47 h ALA 215 N 1.01 0.94 -0.25 5.18 0.00 -0.91 -2.68 119.26 122.55 1a47 h ALA 215 Ca -0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1a47 h ALA 215 Cb 1.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1a47 h ALA 215 CO 0.11 0.43 -0.36 0.97 0.00 0.00 0.00 179.25 180.40 1a47 h ILE 216 N 1.01 1.29 0.00 0.00 6.09 -1.44 -2.72 117.51 121.74 1a47 h ILE 216 Ca 0.26 -1.49 -0.01 0.00 -1.37 0.00 0.00 64.86 62.25 1a47 h ILE 216 Cb -0.00 1.49 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 1a47 h ILE 216 CO -0.05 0.47 -0.06 0.11 -3.07 0.00 0.00 178.15 175.55 1a47 h LYS 217 N 0.47 0.00 -0.54 2.19 1.57 -1.32 -0.28 116.57 118.66 1a47 h LYS 217 Ca 0.05 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1a47 h LYS 217 Cb 0.84 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1a47 h LYS 217 CO 0.07 0.06 0.35 0.28 -0.57 0.00 0.00 179.45 179.65 1a47 h VAL 218 N 0.00 1.14 0.11 0.50 2.07 -1.25 -0.88 116.25 117.94 1a47 h VAL 218 Ca -0.00 -0.25 -0.29 0.00 0.82 0.00 0.00 66.70 66.98 1a47 h VAL 218 Cb 0.12 0.35 0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1a47 h VAL 218 CO 0.01 0.13 -1.19 -0.50 0.02 0.00 0.00 177.57 176.04 1a47 h TRP 219 N 0.72 0.99 -0.61 1.57 4.06 -1.38 -2.99 115.95 118.33 1a47 h TRP 219 Ca 0.20 -0.62 0.08 0.00 2.06 0.00 0.00 58.89 60.61 1a47 h TRP 219 Cb -0.08 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 27.96 1a47 h TRP 219 CO -0.04 1.46 0.40 -0.07 -3.56 0.00 0.00 178.44 176.63 1a47 h LEU 220 N 0.25 0.45 -0.97 -4.49 3.38 -0.98 0.33 115.31 113.28 1a47 h LEU 220 Ca -0.18 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1a47 h LEU 220 Cb 1.87 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1a47 h LEU 220 CO 0.23 0.28 0.00 0.44 0.09 0.00 0.00 178.44 179.48 1a47 h ASP 221 N 0.51 0.00 1.12 -0.43 3.32 -1.13 -2.79 116.42 117.02 1a47 h ASP 221 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1a47 h ASP 221 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1a47 h ASP 221 CO -0.08 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.67 1a47 n MET 222 N -3.01 0.15 0.00 3.56 2.81 0.12 -4.91 117.12 115.84 1a47 n MET 222 Ca 0.02 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1a47 n MET 222 Cb 0.36 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1a47 n MET 222 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a47 n GLY 223 N 1.03 1.11 3.71 3.03 0.00 -1.05 -4.88 105.19 108.14 1a47 n GLY 223 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1a47 n GLY 223 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a47 n ILE 224 N -1.60 4.11 -0.04 -0.61 -5.35 -1.23 -4.89 119.36 109.76 1a47 n ILE 224 Ca 0.00 -0.50 0.06 0.00 -0.27 0.00 0.00 62.75 62.04 1a47 n ILE 224 Cb 0.00 -1.49 0.13 0.00 -1.74 0.00 0.00 39.64 36.54 1a47 n ILE 224 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a47 n ASP 225 N -1.18 2.73 -3.64 7.28 8.00 -0.09 -4.92 116.55 124.74 1a47 n ASP 225 Ca 0.13 -1.89 -0.02 0.00 0.71 0.00 0.00 54.79 53.72 1a47 n ASP 225 Cb 0.46 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1a47 n ASP 225 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1a47 s GLY 226 N -0.99 -0.22 -0.01 0.44 0.00 -1.14 -4.00 107.32 101.41 1a47 s GLY 226 Ca 0.21 1.86 0.02 0.00 0.00 0.00 0.00 44.72 46.81 1a47 s GLY 226 CO 0.16 0.62 -0.06 -0.42 0.00 0.00 0.00 173.10 173.40 1a47 s ILE 227 N -2.07 0.47 -0.45 0.90 1.01 -0.82 -2.13 121.20 118.11 1a47 s ILE 227 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 1a47 s ILE 227 Cb -0.01 -0.41 0.12 0.00 0.01 0.00 0.00 42.46 42.17 1a47 s ILE 227 CO -0.03 0.14 0.27 -0.60 0.00 0.00 0.00 174.94 174.73 1a47 s ARG 228 N -0.02 2.19 0.07 2.79 3.52 0.85 -2.11 118.95 126.24 1a47 s ARG 228 Ca 0.01 -1.89 -0.31 0.00 -0.13 0.00 0.00 55.73 53.41 1a47 s ARG 228 Cb -0.04 -3.69 -0.06 0.00 -1.56 0.00 0.00 34.95 29.59 1a47 s ARG 228 CO -0.00 -1.12 1.32 -0.51 -0.81 0.00 0.00 175.30 174.18 1a47 s LEU 229 N 1.06 4.36 0.21 -0.88 1.43 -0.61 -0.45 118.68 123.79 1a47 s LEU 229 Ca 0.09 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.15 1a47 s LEU 229 Cb -0.23 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.33 1a47 s LEU 229 CO -0.03 -0.60 0.71 -0.62 0.23 0.00 0.00 176.35 176.03 1a47 s ASP 230 N 1.26 7.06 -1.55 2.29 2.15 0.14 -1.28 116.67 126.74 1a47 s ASP 230 Ca 0.62 1.40 -0.05 0.00 0.43 0.00 0.00 52.55 54.95 1a47 s ASP 230 Cb -0.33 -2.41 0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1a47 s ASP 230 CO 0.29 0.06 0.13 0.00 -0.17 0.00 0.00 175.17 175.47 1a47 n ALA 231 N 0.83 -1.79 0.11 3.66 0.00 -1.25 -4.69 120.51 117.38 1a47 n ALA 231 Ca -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.12 1a47 n ALA 231 Cb 0.51 -1.12 0.35 0.00 0.00 0.00 0.00 19.45 19.19 1a47 n ALA 231 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1a47 n VAL 232 N -4.32 1.23 0.96 0.00 0.24 -1.08 0.24 118.33 115.60 1a47 n VAL 232 Ca -0.22 0.66 0.13 0.00 -2.04 0.00 0.00 64.34 62.87 1a47 n VAL 232 Cb 0.62 -1.66 0.52 0.00 -1.47 0.00 0.00 33.84 31.85 1a47 n VAL 232 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1a47 n LYS 233 N -1.95 0.03 -0.30 7.34 4.81 -1.25 -3.66 118.16 123.18 1a47 n LYS 233 Ca -0.01 0.02 0.07 0.00 -0.87 0.00 0.00 58.31 57.52 1a47 n LYS 233 Cb 0.08 -1.53 0.20 0.00 0.02 0.00 0.00 35.03 33.81 1a47 n LYS 233 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1a47 n HIS 234 N -1.57 0.70 -4.18 5.64 8.25 0.14 -4.65 115.22 119.54 1a47 n HIS 234 Ca 0.06 -0.63 -0.17 0.00 -0.26 0.00 0.00 57.72 56.73 1a47 n HIS 234 Cb 0.35 -0.13 -0.11 0.00 1.12 0.00 0.00 29.99 31.21 1a47 n HIS 234 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1a47 s MET 235 N -1.63 0.85 0.31 -0.41 -1.94 -1.24 -4.34 119.30 110.90 1a47 s MET 235 Ca 0.32 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 1a47 s MET 235 Cb 0.21 -0.74 -0.11 0.00 2.01 0.00 0.00 34.83 36.20 1a47 s MET 235 CO 0.15 0.15 1.47 -1.25 -0.01 0.00 0.00 175.02 175.52 1a47 s PRO 236 N -2.19 4.21 0.20 2.03 0.05 -1.26 -4.91 135.00 133.12 1a47 s PRO 236 Ca 0.02 2.43 -0.11 0.00 0.05 0.00 0.00 61.00 63.38 1a47 s PRO 236 Cb -0.07 -3.04 0.16 0.00 0.05 0.00 0.00 34.50 31.60 1a47 s PRO 236 CO 0.02 -0.46 1.83 0.35 0.05 0.00 0.00 177.00 178.78 1a47 h PHE 237 N 4.15 0.69 -0.21 0.56 3.04 -1.91 -2.21 116.94 121.05 1a47 h PHE 237 Ca -0.48 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.54 1a47 h PHE 237 Cb 1.23 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 39.47 1a47 h PHE 237 CO 0.57 0.38 -0.08 0.78 -2.02 0.00 0.00 178.31 177.94 1a47 h GLY 238 N 0.72 0.11 1.01 2.40 0.00 -1.88 0.60 103.07 106.02 1a47 h GLY 238 Ca 0.26 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1a47 h GLY 238 CO -0.12 -0.11 0.32 -0.25 0.00 0.00 0.00 176.54 176.38 1a47 h TRP 239 N -0.05 0.98 -0.77 5.60 7.01 -1.73 -1.90 115.95 125.09 1a47 h TRP 239 Ca 0.11 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 1a47 h TRP 239 Cb 0.22 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 1a47 h TRP 239 CO -0.25 0.74 0.26 1.96 -2.79 0.00 0.00 178.44 178.36 1a47 h GLN 240 N 0.94 1.17 -0.61 2.65 4.20 -0.94 0.18 115.11 122.70 1a47 h GLN 240 Ca 0.23 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1a47 h GLN 240 Cb 0.13 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1a47 h GLN 240 CO -0.03 0.98 0.16 -0.22 -0.67 0.00 0.00 178.83 179.05 1a47 h LYS 241 N 1.13 0.95 -0.03 1.46 3.64 -0.67 0.06 116.57 123.11 1a47 h LYS 241 Ca 0.25 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1a47 h LYS 241 Cb 0.28 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1a47 h LYS 241 CO -0.01 0.84 -0.58 -0.97 -2.27 0.00 0.00 179.45 176.46 1a47 h ASN 242 N 0.91 0.12 -0.18 4.20 -1.24 -0.84 -2.71 115.58 115.84 1a47 h ASN 242 Ca 0.20 -0.07 -0.20 0.00 0.71 0.00 0.00 56.30 56.94 1a47 h ASN 242 Cb 0.32 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.33 1a47 h ASN 242 CO -0.00 0.68 -0.63 0.15 -1.29 0.00 0.00 177.43 176.33 1a47 h PHE 243 N 0.08 1.03 -0.53 0.67 3.57 -0.10 -3.09 116.94 118.58 1a47 h PHE 243 Ca -0.00 -0.40 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1a47 h PHE 243 Cb 1.05 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1a47 h PHE 243 CO 0.01 1.22 0.28 0.52 -2.23 0.00 0.00 178.31 178.11 1a47 h MET 244 N 0.59 0.75 -0.61 1.11 2.86 -0.91 -2.46 114.93 116.26 1a47 h MET 244 Ca -0.01 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1a47 h MET 244 Cb 1.24 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.70 1a47 h MET 244 CO 0.13 0.59 0.32 0.22 1.06 0.00 0.00 176.91 179.24 1a47 h ASP 245 N 0.71 0.45 -0.67 1.22 3.58 -1.49 0.51 116.42 120.74 1a47 h ASP 245 Ca 0.19 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1a47 h ASP 245 Cb 0.07 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 1a47 h ASP 245 CO -0.03 0.30 0.37 0.77 -2.88 0.00 0.00 179.24 177.76 1a47 h SER 246 N 0.59 0.85 0.09 2.28 4.64 -1.40 0.96 113.55 121.56 1a47 h SER 246 Ca 0.28 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1a47 h SER 246 Cb 0.20 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1a47 h SER 246 CO -0.19 0.69 -0.04 0.40 -0.87 0.00 0.00 176.83 176.82 1a47 h ILE 247 N 0.96 1.14 0.00 0.95 2.04 -0.85 -2.39 117.51 119.35 1a47 h ILE 247 Ca 0.24 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1a47 h ILE 247 Cb 0.04 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1a47 h ILE 247 CO -0.04 0.23 -0.13 -0.07 0.00 0.00 0.00 178.15 178.14 1a47 h LEU 248 N -0.57 0.00 0.02 1.44 3.38 -0.76 0.10 115.31 118.91 1a47 h LEU 248 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 1a47 h LEU 248 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1a47 h LEU 248 CO 0.02 0.13 -1.08 0.28 0.09 0.00 0.00 178.44 177.88 1a47 h SER 249 N 0.00 0.06 0.03 -0.43 0.02 -0.80 -3.31 113.55 109.13 1a47 h SER 249 Ca -0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1a47 h SER 249 Cb 0.33 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1a47 h SER 249 CO 0.02 1.05 -0.02 0.22 -1.14 0.00 0.00 176.83 176.96 1a47 h TYR 250 N 0.01 -0.04 -0.56 3.45 3.20 -0.88 -3.47 116.97 118.67 1a47 h TYR 250 Ca -0.05 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.97 1a47 h TYR 250 Cb 1.81 0.01 -0.20 0.00 1.54 0.00 0.00 36.73 39.90 1a47 h TYR 250 CO 0.01 0.35 -0.15 0.50 -1.64 0.00 0.00 178.16 177.23 1a47 s ARG 251 N -2.06 0.32 0.32 1.82 3.52 -0.03 -5.11 118.95 117.73 1a47 s ARG 251 Ca -0.08 0.33 -0.29 0.00 -0.13 0.00 0.00 55.73 55.56 1a47 s ARG 251 Cb -0.01 0.15 -0.12 0.00 -1.56 0.00 0.00 34.95 33.42 1a47 s ARG 251 CO 0.30 -0.57 1.45 -0.35 -0.81 0.00 0.00 175.30 175.31 1a47 n PRO 252 N 5.25 2.41 -3.69 5.12 -0.04 -1.24 -4.60 135.00 138.20 1a47 n PRO 252 Ca 0.07 0.85 -0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1a47 n PRO 252 Cb 0.56 -2.54 -0.09 0.00 -0.04 0.00 0.00 33.50 31.38 1a47 n PRO 252 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a47 s VAL 253 N -0.57 -0.01 -0.13 0.52 -7.23 -1.26 -4.76 120.40 106.96 1a47 s VAL 253 Ca 0.60 0.02 -0.38 0.00 -1.81 0.00 0.00 61.98 60.41 1a47 s VAL 253 Cb -0.54 -0.72 -0.16 0.00 0.56 0.00 0.00 36.38 35.52 1a47 s VAL 253 CO 0.56 0.01 1.62 0.33 -0.31 0.00 0.00 175.10 177.31 1a47 n PHE 254 N 3.28 1.92 -4.63 2.82 7.35 0.46 -4.75 117.46 123.91 1a47 n PHE 254 Ca -0.16 0.51 -0.24 0.00 -0.76 0.00 0.00 57.45 56.80 1a47 n PHE 254 Cb 0.56 -2.44 -0.16 0.00 0.35 0.00 0.00 39.48 37.79 1a47 n PHE 254 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1a47 s THR 255 N 2.52 1.14 -0.01 -2.13 2.01 -1.26 -1.94 115.64 115.96 1a47 s THR 255 Ca 0.93 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1a47 s THR 255 Cb -0.98 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 70.54 1a47 s THR 255 CO 0.57 0.34 -0.01 0.72 -0.69 0.00 0.00 174.62 175.55 1a47 s PHE 256 N 0.19 0.23 0.36 4.92 -0.71 -0.90 0.25 117.98 122.32 1a47 s PHE 256 Ca -0.05 -0.01 0.07 0.00 -1.04 0.00 0.00 56.93 55.90 1a47 s PHE 256 Cb -0.11 -0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.45 1a47 s PHE 256 CO 0.02 -0.05 0.45 0.20 -1.34 0.00 0.00 175.22 174.50 1a47 s GLY 257 N 0.39 1.75 -0.46 1.99 0.00 0.11 -1.57 107.32 109.53 1a47 s GLY 257 Ca -0.04 -1.58 -0.10 0.00 0.00 0.00 0.00 44.72 43.01 1a47 s GLY 257 CO -0.01 -1.47 0.33 1.85 0.00 0.00 0.00 173.10 173.81 1a47 s GLU 258 N -4.17 2.59 -0.57 2.90 2.12 -0.40 -1.86 118.70 119.30 1a47 s GLU 258 Ca 0.47 -1.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.14 1a47 s GLU 258 Cb -0.08 -3.92 0.15 0.00 0.26 0.00 0.00 34.13 30.53 1a47 s GLU 258 CO 0.30 -1.12 0.37 -0.46 -0.54 0.00 0.00 175.26 173.81 1a47 s TRP 259 N 1.42 3.39 0.04 5.30 -0.11 -1.26 -2.65 118.94 125.06 1a47 s TRP 259 Ca 0.05 -2.79 -0.34 0.00 1.22 0.00 0.00 56.10 54.23 1a47 s TRP 259 Cb -0.25 -3.12 -0.12 0.00 -1.50 0.00 0.00 33.47 28.48 1a47 s TRP 259 CO 0.01 -0.84 1.75 0.34 -4.62 0.00 0.00 176.95 173.59 1a47 n PHE 260 N 3.54 2.33 -4.73 5.86 -0.00 -1.26 -4.81 117.46 118.38 1a47 n PHE 260 Ca 0.06 0.09 -0.26 0.00 -0.00 0.00 0.00 57.45 57.34 1a47 n PHE 260 Cb 0.37 -2.62 -0.17 0.00 -0.00 0.00 0.00 39.48 37.06 1a47 n PHE 260 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1a47 s LEU 261 N 2.64 1.75 0.00 -2.13 1.43 -1.26 -5.12 118.68 115.99 1a47 s LEU 261 Ca 0.86 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.52 1a47 s LEU 261 Cb -0.66 -0.95 0.14 0.00 0.03 0.00 0.00 46.19 44.74 1a47 s LEU 261 CO 0.44 0.07 0.84 0.61 0.23 0.00 0.00 176.35 178.54 1a47 n GLY 262 N 3.72 -0.94 3.72 -3.19 0.00 -1.26 -4.85 105.19 102.39 1a47 n GLY 262 Ca -0.22 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1a47 n GLY 262 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a47 s THR 263 N -2.74 2.13 0.00 2.61 2.01 -1.26 -1.47 115.64 116.93 1a47 s THR 263 Ca 0.49 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1a47 s THR 263 Cb -0.02 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1a47 s THR 263 CO 0.34 0.01 0.00 0.59 -0.69 0.00 0.00 174.62 174.87 1a47 n ASN 264 N 4.05 -5.38 -4.72 3.53 3.02 -1.26 -4.94 115.26 109.57 1a47 n ASN 264 Ca 0.16 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.30 1a47 n ASN 264 Cb 0.36 -3.03 -0.04 0.00 -0.61 0.00 0.00 39.78 36.46 1a47 n ASN 264 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1a47 s GLU 265 N -1.68 4.49 -0.06 3.52 2.12 -0.54 -5.05 118.70 121.50 1a47 s GLU 265 Ca 0.00 1.10 0.02 0.00 0.36 0.00 0.00 54.97 56.45 1a47 s GLU 265 Cb 0.00 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.96 1a47 s GLU 265 CO 0.00 0.03 -0.10 0.42 -0.54 0.00 0.00 175.26 175.07 1a47 s ILE 266 N 0.85 1.00 -0.13 -3.70 1.01 -1.26 -4.70 121.20 114.26 1a47 s ILE 266 Ca 0.43 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1a47 s ILE 266 Cb -0.19 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.38 1a47 s ILE 266 CO 0.22 0.33 -0.06 -0.62 0.00 0.00 0.00 174.94 174.81 1a47 s ASP 267 N 0.77 2.42 0.39 3.58 -1.08 -1.26 -5.00 116.67 116.49 1a47 s ASP 267 Ca -0.13 -0.45 0.09 0.00 -0.52 0.00 0.00 52.55 51.54 1a47 s ASP 267 Cb -0.15 -0.84 0.85 0.00 -1.46 0.00 0.00 42.92 41.32 1a47 s ASP 267 CO 0.02 -0.15 1.98 1.62 0.52 0.00 0.00 175.17 179.16 1a47 h VAL 268 N 6.27 0.99 -0.33 1.11 3.04 -2.00 0.32 116.25 125.66 1a47 h VAL 268 Ca -0.27 -0.21 -0.07 0.00 -1.01 0.00 0.00 66.70 65.14 1a47 h VAL 268 Cb 1.12 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 1a47 h VAL 268 CO 0.39 0.11 -0.10 0.78 -1.01 0.00 0.00 177.57 177.75 1a47 h ASN 269 N 0.61 0.54 -0.52 3.17 2.35 -1.99 -1.44 115.58 118.31 1a47 h ASN 269 Ca 0.28 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1a47 h ASN 269 Cb 0.32 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1a47 h ASN 269 CO -0.09 0.68 0.08 -1.13 -1.65 0.00 0.00 177.43 175.32 1a47 h ASN 270 N 0.52 0.82 -0.19 5.81 -1.24 -1.38 -1.36 115.58 118.56 1a47 h ASN 270 Ca 0.10 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 56.83 1a47 h ASN 270 Cb 0.48 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 1a47 h ASN 270 CO 0.03 0.87 0.04 0.74 -1.29 0.00 0.00 177.43 177.81 1a47 h THR 271 N 0.73 1.22 -0.90 -3.57 2.02 -1.02 -2.50 112.91 108.89 1a47 h THR 271 Ca 0.16 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1a47 h THR 271 Cb 0.40 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 1a47 h THR 271 CO 0.01 0.22 0.59 0.22 0.37 0.00 0.00 175.52 176.93 1a47 h TYR 272 N 0.11 1.12 0.20 3.16 5.03 -1.21 -2.00 116.97 123.37 1a47 h TYR 272 Ca 0.06 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1a47 h TYR 272 Cb 0.30 -0.38 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 1a47 h TYR 272 CO 0.02 0.70 -0.19 0.35 -1.32 0.00 0.00 178.16 177.72 1a47 h PHE 273 N 1.20 -0.49 0.00 -3.82 3.04 -1.11 0.86 116.94 116.63 1a47 h PHE 273 Ca 0.33 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.27 1a47 h PHE 273 Cb -0.12 0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.58 1a47 h PHE 273 CO -0.01 -0.28 -0.05 0.00 -2.02 0.00 0.00 178.31 175.95 1a47 h ALA 274 N 0.35 1.32 0.00 2.41 0.00 -1.23 0.39 119.26 122.50 1a47 h ALA 274 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a47 h ALA 274 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1a47 h ALA 274 CO -0.04 0.06 -1.04 0.09 0.00 0.00 0.00 179.25 178.33 1a47 n ASN 275 N -3.60 0.63 0.00 0.00 3.02 -0.77 -4.63 115.26 109.90 1a47 n ASN 275 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1a47 n ASN 275 Cb 0.16 0.72 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 1a47 n ASN 275 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a47 n GLU 276 N -2.16 2.83 -0.13 3.52 -0.58 0.23 -4.82 120.64 119.53 1a47 n GLU 276 Ca 0.01 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.91 1a47 n GLU 276 Cb 0.47 -0.72 0.54 0.00 -0.57 0.00 0.00 31.44 31.17 1a47 n GLU 276 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a47 h SER 277 N 0.00 0.31 0.00 1.62 4.64 -0.39 -3.45 113.55 116.27 1a47 h SER 277 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1a47 h SER 277 Cb 0.15 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1a47 h SER 277 CO 0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1a47 n GLY 278 N -1.55 0.76 3.27 -0.77 0.00 -1.26 -4.33 105.19 101.31 1a47 n GLY 278 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1a47 n GLY 278 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1a47 s MET 279 N -0.86 1.16 0.79 1.61 0.23 -1.26 -4.76 119.30 116.21 1a47 s MET 279 Ca 0.00 -1.54 -0.04 0.00 -1.03 0.00 0.00 55.69 53.08 1a47 s MET 279 Cb 0.00 -0.54 0.16 0.00 -1.53 0.00 0.00 34.83 32.91 1a47 s MET 279 CO 0.00 -0.03 1.09 0.45 -2.03 0.00 0.00 175.02 174.50 1a47 s SER 280 N -3.21 3.96 0.05 -1.18 0.15 0.14 -4.64 113.70 108.96 1a47 s SER 280 Ca 0.22 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.57 1a47 s SER 280 Cb 0.04 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1a47 s SER 280 CO 0.04 -2.14 -0.05 -0.76 1.20 0.00 0.00 173.24 171.53 1a47 s LEU 281 N -5.34 2.37 -0.04 3.45 1.43 -1.26 0.07 118.68 119.36 1a47 s LEU 281 Ca 0.69 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 1a47 s LEU 281 Cb -0.04 0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 1a47 s LEU 281 CO 0.47 -0.39 1.20 -0.76 0.23 0.00 0.00 176.35 177.09 1a47 s LEU 282 N -2.22 4.29 -1.09 1.79 1.43 -0.78 -1.89 118.68 120.21 1a47 s LEU 282 Ca -0.02 1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 54.69 1a47 s LEU 282 Cb -0.02 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1a47 s LEU 282 CO -0.04 -0.57 1.86 -0.62 0.23 0.00 0.00 176.35 177.21 1a47 s ASP 283 N 1.43 5.48 0.25 2.29 -1.08 0.14 -4.73 116.67 120.46 1a47 s ASP 283 Ca 0.56 -1.44 0.08 0.00 -0.52 0.00 0.00 52.55 51.23 1a47 s ASP 283 Cb -0.25 -2.58 0.27 0.00 -1.46 0.00 0.00 42.92 38.90 1a47 s ASP 283 CO 0.23 -2.53 1.56 -0.26 0.52 0.00 0.00 175.17 174.69 1a47 h PHE 284 N 9.93 0.11 -0.52 -5.34 -1.00 -1.87 -0.96 116.94 117.28 1a47 h PHE 284 Ca 0.21 -0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.86 1a47 h PHE 284 Cb 0.96 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.48 1a47 h PHE 284 CO 1.25 0.71 -0.01 0.00 -1.61 0.00 0.00 178.31 178.65 1a47 h ARG 285 N 0.06 0.89 0.20 1.51 3.08 -1.89 0.12 114.38 118.36 1a47 h ARG 285 Ca -0.01 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1a47 h ARG 285 Cb 1.16 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1a47 h ARG 285 CO 0.09 0.89 -0.10 0.35 -1.07 0.00 0.00 179.97 180.13 1a47 h PHE 286 N 0.82 -0.25 -0.28 3.04 3.04 -1.91 -2.74 116.94 118.66 1a47 h PHE 286 Ca 0.15 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.15 1a47 h PHE 286 Cb 0.50 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 39.05 1a47 h PHE 286 CO 0.03 0.14 -0.03 1.03 -2.02 0.00 0.00 178.31 177.46 1a47 h SER 287 N -0.77 -0.18 -0.26 0.41 0.87 -1.12 -1.54 113.55 110.97 1a47 h SER 287 Ca -0.03 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1a47 h SER 287 Cb 0.51 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1a47 h SER 287 CO 0.05 -0.06 -0.03 1.56 -0.53 0.00 0.00 176.83 177.82 1a47 h GLN 288 N 0.04 0.59 -0.22 2.24 1.08 -1.06 -2.87 115.11 114.91 1a47 h GLN 288 Ca 0.13 -0.14 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1a47 h GLN 288 Cb 0.19 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1a47 h GLN 288 CO -0.26 0.64 -0.49 -0.22 -0.95 0.00 0.00 178.83 177.55 1a47 h LYS 289 N 0.56 0.72 -0.77 1.46 1.63 -1.16 -2.87 116.57 116.15 1a47 h LYS 289 Ca 0.11 -0.48 0.06 0.00 -0.85 0.00 0.00 60.65 59.49 1a47 h LYS 289 Cb 0.40 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.05 1a47 h LYS 289 CO 0.02 1.11 0.50 0.28 -3.45 0.00 0.00 179.45 177.90 1a47 h VAL 290 N 0.44 1.04 -0.09 2.00 2.07 -1.17 -1.70 116.25 118.84 1a47 h VAL 290 Ca 0.00 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 67.06 1a47 h VAL 290 Cb 1.10 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1a47 h VAL 290 CO 0.11 0.15 -0.69 0.03 0.02 0.00 0.00 177.57 177.19 1a47 h ARG 291 N 0.84 0.41 -0.67 1.57 3.08 -1.49 -0.43 114.38 117.69 1a47 h ARG 291 Ca 0.33 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1a47 h ARG 291 Cb 0.21 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1a47 h ARG 291 CO -0.11 0.95 0.31 1.96 -1.07 0.00 0.00 179.97 182.01 1a47 h GLN 292 N 0.29 0.97 0.01 0.04 4.20 -1.11 0.33 115.11 119.83 1a47 h GLN 292 Ca -0.02 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1a47 h GLN 292 Cb 1.26 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1a47 h GLN 292 CO 0.12 0.78 -0.00 0.28 -0.67 0.00 0.00 178.83 179.34 1a47 h VAL 293 N 0.93 1.34 0.00 -0.54 2.07 -1.28 0.23 116.25 119.00 1a47 h VAL 293 Ca 0.23 -1.96 -0.10 0.00 0.82 0.00 0.00 66.70 65.69 1a47 h VAL 293 Cb 0.14 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1a47 h VAL 293 CO -0.03 0.45 -1.37 0.49 0.02 0.00 0.00 177.57 177.13 1a47 n PHE 294 N -4.67 0.84 -0.01 1.57 3.72 -0.18 -4.38 117.46 114.35 1a47 n PHE 294 Ca -0.08 0.26 -0.01 0.00 -0.05 0.00 0.00 57.45 57.58 1a47 n PHE 294 Cb 0.36 -0.98 -0.00 0.00 -0.94 0.00 0.00 39.48 37.91 1a47 n PHE 294 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1a47 n ARG 295 N -2.74 0.05 0.00 -1.08 0.63 -0.10 -4.82 116.66 108.60 1a47 n ARG 295 Ca -0.07 0.02 0.12 0.00 -0.92 0.00 0.00 57.85 57.01 1a47 n ARG 295 Cb 0.72 -0.49 0.33 0.00 0.45 0.00 0.00 32.46 33.48 1a47 n ARG 295 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1a47 n ASP 296 N -2.73 0.39 -3.50 6.15 8.00 0.96 -4.99 116.55 120.83 1a47 n ASP 296 Ca -0.01 -0.05 -0.24 0.00 0.71 0.00 0.00 54.79 55.20 1a47 n ASP 296 Cb 0.05 0.06 0.05 0.00 -0.02 0.00 0.00 41.12 41.26 1a47 n ASP 296 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a47 n ASN 297 N -1.53 -5.94 -0.08 -2.24 4.05 0.33 -4.91 115.26 104.94 1a47 n ASN 297 Ca 0.06 -0.84 0.04 0.00 0.45 0.00 0.00 54.58 54.29 1a47 n ASN 297 Cb 0.34 -4.03 0.06 0.00 1.23 0.00 0.00 39.78 37.38 1a47 n ASN 297 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1a47 n THR 298 N -3.62 1.20 -3.52 -0.44 -2.24 0.55 -5.01 114.28 101.19 1a47 n THR 298 Ca -0.09 -1.36 -0.08 0.00 -2.27 0.00 0.00 64.05 60.26 1a47 n THR 298 Cb 0.60 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1a47 n THR 298 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a47 s ASP 299 N -1.71 -0.33 0.55 3.42 -1.08 -1.22 -4.98 116.67 111.32 1a47 s ASP 299 Ca 0.14 -0.02 0.07 0.00 -0.52 0.00 0.00 52.55 52.22 1a47 s ASP 299 Cb 0.12 0.37 0.06 0.00 -1.46 0.00 0.00 42.92 42.00 1a47 s ASP 299 CO 0.01 -0.60 0.56 0.42 0.52 0.00 0.00 175.17 176.08 1a47 s THR 300 N -3.06 1.87 0.60 1.71 -4.23 -1.26 -4.24 115.64 107.01 1a47 s THR 300 Ca 0.06 -1.29 0.30 0.00 -1.18 0.00 0.00 61.69 59.57 1a47 s THR 300 Cb -0.01 -2.16 0.36 0.00 1.34 0.00 0.00 72.50 72.03 1a47 s THR 300 CO -0.08 0.00 2.16 -0.03 -0.54 0.00 0.00 174.62 176.13 1a47 h MET 301 N 0.53 0.00 -0.68 3.99 4.05 -1.73 0.18 114.93 121.27 1a47 h MET 301 Ca -0.34 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.01 1a47 h MET 301 Cb 1.30 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.07 1a47 h MET 301 CO 0.51 0.00 0.17 1.88 0.23 0.00 0.00 176.91 179.69 1a47 h TYR 302 N 0.00 1.12 -0.06 1.39 0.05 -1.85 -1.25 116.97 116.37 1a47 h TYR 302 Ca 0.05 -0.13 -0.12 0.00 0.05 0.00 0.00 58.73 58.59 1a47 h TYR 302 Cb 0.32 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1a47 h TYR 302 CO 0.00 0.91 -0.49 0.78 -1.05 0.00 0.00 178.16 178.31 1a47 h GLY 303 N 1.07 0.17 0.86 3.88 0.00 -1.02 -1.90 103.07 106.13 1a47 h GLY 303 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1a47 h GLY 303 CO 0.00 0.16 -0.06 -2.00 0.00 0.00 0.00 176.54 174.65 1a47 h LEU 304 N 0.13 0.51 -0.16 3.11 5.85 -0.96 -2.29 115.31 121.49 1a47 h LEU 304 Ca 0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1a47 h LEU 304 Cb 0.91 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1a47 h LEU 304 CO 0.07 0.75 0.05 -0.78 -0.34 0.00 0.00 178.44 178.19 1a47 h ASP 305 N 0.26 0.24 -0.41 1.25 3.58 -1.13 -1.98 116.42 118.22 1a47 h ASP 305 Ca 0.07 -0.20 0.07 0.00 0.42 0.00 0.00 57.03 57.38 1a47 h ASP 305 Cb 0.53 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1a47 h ASP 305 CO 0.02 0.38 0.28 0.77 -2.88 0.00 0.00 179.24 177.81 1a47 h SER 306 N 0.09 0.23 -0.40 2.28 4.64 -1.34 0.60 113.55 119.64 1a47 h SER 306 Ca 0.05 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 1a47 h SER 306 Cb 0.22 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1a47 h SER 306 CO -0.00 0.15 -0.27 -0.03 -0.87 0.00 0.00 176.83 175.81 1a47 h MET 307 N 0.26 0.92 -0.64 4.77 1.85 -1.01 -0.05 114.93 121.04 1a47 h MET 307 Ca 0.18 -0.42 -0.07 0.00 -0.61 0.00 0.00 59.70 58.79 1a47 h MET 307 Cb 0.40 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.38 1a47 h MET 307 CO -0.04 1.07 0.12 0.82 -0.40 0.00 0.00 176.91 178.48 1a47 h ILE 308 N 0.78 1.26 0.01 1.77 1.08 -0.21 -1.66 117.51 120.54 1a47 h ILE 308 Ca 0.09 -0.98 -0.07 0.00 -0.39 0.00 0.00 64.86 63.51 1a47 h ILE 308 Cb 0.84 0.64 0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1a47 h ILE 308 CO 0.07 0.37 -0.26 1.56 -0.69 0.00 0.00 178.15 179.20 1a47 h GLN 309 N 0.97 0.16 -0.40 2.37 1.08 -0.97 -2.88 115.11 115.44 1a47 h GLN 309 Ca 0.20 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1a47 h GLN 309 Cb 0.40 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1a47 h GLN 309 CO 0.01 0.95 -0.04 0.66 -0.95 0.00 0.00 178.83 179.46 1a47 h SER 310 N -0.55 0.65 -0.64 1.46 4.64 -1.05 -2.64 113.55 115.42 1a47 h SER 310 Ca -0.04 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 1a47 h SER 310 Cb 1.05 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 1a47 h SER 310 CO 0.05 0.74 0.27 0.74 -0.87 0.00 0.00 176.83 177.77 1a47 h THR 311 N 0.63 1.23 0.00 2.95 2.02 -1.40 -2.33 112.91 116.01 1a47 h THR 311 Ca 0.12 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1a47 h THR 311 Cb 0.46 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1a47 h THR 311 CO 0.02 0.28 -0.14 0.00 0.37 0.00 0.00 175.52 176.06 1a47 h ALA 312 N 1.11 1.25 0.09 6.16 0.00 -1.24 -2.28 119.26 124.35 1a47 h ALA 312 Ca 0.22 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.67 1a47 h ALA 312 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1a47 h ALA 312 CO -0.02 0.17 -1.76 0.77 0.00 0.00 0.00 179.25 178.41 1a47 h SER 313 N 0.00 0.31 -0.03 0.00 0.02 -1.29 -3.40 113.55 109.16 1a47 h SER 313 Ca -0.00 -0.58 -0.03 0.00 -0.84 0.00 0.00 61.79 60.34 1a47 h SER 313 Cb 0.40 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1a47 h SER 313 CO 0.02 1.50 -0.12 0.44 -1.14 0.00 0.00 176.83 177.54 1a47 h ASP 314 N 0.05 0.15 -3.33 3.07 3.32 -1.31 -3.44 116.42 114.94 1a47 h ASP 314 Ca -0.33 -0.64 -0.59 0.00 0.02 0.00 0.00 57.03 55.50 1a47 h ASP 314 Cb 2.03 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 41.45 1a47 h ASP 314 CO 0.11 0.77 0.33 -0.31 -1.72 0.00 0.00 179.24 178.42 1a47 s TYR 315 N -3.66 3.39 0.36 4.55 2.02 -0.87 -4.94 117.35 118.20 1a47 s TYR 315 Ca -0.16 1.15 0.15 0.00 -0.37 0.00 0.00 57.07 57.84 1a47 s TYR 315 Cb 0.02 -2.97 0.81 0.00 -0.40 0.00 0.00 41.96 39.42 1a47 s TYR 315 CO 0.72 -0.25 1.85 -0.91 -1.57 0.00 0.00 175.55 175.38 1a47 h ASN 316 N 7.43 0.00 -2.11 2.29 2.35 -1.88 -3.33 115.58 120.33 1a47 h ASN 316 Ca -0.29 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.89 1a47 h ASN 316 Cb 1.13 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.09 1a47 h ASN 316 CO 0.83 0.34 -0.83 0.49 -1.65 0.00 0.00 177.43 176.60 1a47 n PHE 317 N -3.99 1.93 0.23 1.19 3.72 -1.26 -4.94 117.46 114.34 1a47 n PHE 317 Ca -0.02 -3.90 0.11 0.00 -0.05 0.00 0.00 57.45 53.60 1a47 n PHE 317 Cb 0.39 -0.47 0.71 0.00 -0.94 0.00 0.00 39.48 39.18 1a47 n PHE 317 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 176.76 175.87 1a47 h ILE 318 N 2.57 0.84 0.00 4.37 -0.00 -1.93 -1.66 117.51 121.70 1a47 h ILE 318 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.00 1a47 h ILE 318 Cb 0.75 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 38.53 1a47 h ILE 318 CO 0.67 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 179.41 1a47 n ASN 319 N -4.33 0.00 -0.00 2.16 3.02 -1.26 -2.05 115.26 112.79 1a47 n ASN 319 Ca -0.01 0.39 0.10 0.00 -0.03 0.00 0.00 54.58 55.02 1a47 n ASN 319 Cb 0.16 -0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 38.77 1a47 n ASN 319 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1a47 n ASP 320 N -1.44 0.74 -4.68 6.41 8.00 -0.62 -4.24 116.55 120.72 1a47 n ASP 320 Ca 0.04 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 1a47 n ASP 320 Cb 0.12 1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 42.50 1a47 n ASP 320 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1a47 s MET 321 N -3.04 4.17 -0.58 -1.24 -1.94 -0.87 -4.58 119.30 111.21 1a47 s MET 321 Ca 0.02 2.40 -0.25 0.00 -1.71 0.00 0.00 55.69 56.16 1a47 s MET 321 Cb 0.14 -3.81 0.04 0.00 2.01 0.00 0.00 34.83 33.22 1a47 s MET 321 CO 0.82 -0.82 1.00 0.08 -0.01 0.00 0.00 175.02 176.09 1a47 s VAL 322 N 3.36 4.29 0.68 -6.03 1.01 -0.79 -0.04 120.40 122.88 1a47 s VAL 322 Ca 0.78 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 1a47 s VAL 322 Cb -0.40 -4.61 0.02 0.00 0.00 0.00 0.00 36.38 31.39 1a47 s VAL 322 CO 0.34 -1.24 1.05 0.42 0.00 0.00 0.00 175.10 175.67 1a47 s THR 323 N 4.21 3.35 0.00 3.92 -4.23 0.22 0.27 115.64 123.38 1a47 s THR 323 Ca 0.31 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1a47 s THR 323 Cb -0.12 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1a47 s THR 323 CO 0.18 -0.50 0.00 2.22 -0.54 0.00 0.00 174.62 175.98 1a47 n PHE 324 N -2.92 0.00 0.07 3.99 -1.74 -1.26 -1.72 117.46 113.87 1a47 n PHE 324 Ca 0.06 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.06 1a47 n PHE 324 Cb 0.58 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.42 1a47 n PHE 324 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64 1a47 n ILE 325 N -0.12 0.00 -3.82 1.97 -5.35 -1.26 -3.78 119.36 107.01 1a47 n ILE 325 Ca 0.00 -0.44 -0.05 0.00 -0.27 0.00 0.00 62.75 61.99 1a47 n ILE 325 Cb 0.00 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 1a47 n ILE 325 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1a47 s ASP 326 N -4.26 -0.10 0.24 7.28 1.47 -1.26 -4.77 116.67 115.28 1a47 s ASP 326 Ca -0.06 -0.70 -0.19 0.00 1.18 0.00 0.00 52.55 52.78 1a47 s ASP 326 Cb 0.13 0.62 0.07 0.00 -0.34 0.00 0.00 42.92 43.41 1a47 s ASP 326 CO 0.86 -1.20 0.94 -0.46 0.68 0.00 0.00 175.17 175.99 1a47 n ASN 327 N -0.91 -1.86 0.04 2.11 0.23 -1.26 -4.61 115.26 109.00 1a47 n ASN 327 Ca -0.05 -2.08 0.03 0.00 -0.53 0.00 0.00 54.58 51.94 1a47 n ASN 327 Cb 0.60 3.05 0.15 0.00 -2.08 0.00 0.00 39.78 41.49 1a47 n ASN 327 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a47 n HIS 328 N -0.65 0.17 0.03 -2.53 1.44 -1.26 -1.49 115.22 110.93 1a47 n HIS 328 Ca -0.04 0.09 0.09 0.00 -2.01 0.00 0.00 57.72 55.85 1a47 n HIS 328 Cb 0.57 -0.64 -0.14 0.00 0.12 0.00 0.00 29.99 29.90 1a47 n HIS 328 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1a47 n ASP 329 N -1.68 0.84 -4.92 4.39 8.00 -1.26 -4.69 116.55 117.23 1a47 n ASP 329 Ca -0.00 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.25 1a47 n ASP 329 Cb 0.02 1.79 -0.02 0.00 -0.02 0.00 0.00 41.12 42.88 1a47 n ASP 329 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1a47 s MET 330 N -3.24 3.14 0.35 -1.24 -1.94 -0.56 -4.73 119.30 111.09 1a47 s MET 330 Ca -0.06 -0.96 -0.28 0.00 -1.71 0.00 0.00 55.69 52.68 1a47 s MET 330 Cb 0.12 -2.73 -0.10 0.00 2.01 0.00 0.00 34.83 34.12 1a47 s MET 330 CO 0.76 0.30 1.32 -0.51 -0.01 0.00 0.00 175.02 176.88 1a47 s ASP 331 N -3.99 6.63 0.26 3.03 1.01 -1.26 -4.50 116.67 117.85 1a47 s ASP 331 Ca 0.37 2.72 -0.31 0.00 0.71 0.00 0.00 52.55 56.04 1a47 s ASP 331 Cb -0.08 -2.65 -0.13 0.00 1.01 0.00 0.00 42.92 41.07 1a47 s ASP 331 CO 0.28 -0.64 1.45 0.54 0.21 0.00 0.00 175.17 177.01 1a47 n ARG 332 N 0.61 2.22 -0.23 8.23 1.74 0.14 -4.77 116.66 124.60 1a47 n ARG 332 Ca 0.01 0.79 0.04 0.00 -0.77 0.00 0.00 57.85 57.92 1a47 n ARG 332 Cb 0.42 -2.47 0.15 0.00 -1.02 0.00 0.00 32.46 29.54 1a47 n ARG 332 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a47 h PHE 333 N 4.20 0.28 -3.04 -1.55 3.04 -1.86 -3.38 116.94 114.64 1a47 h PHE 333 Ca -0.46 0.04 -0.57 0.00 3.98 0.00 0.00 57.97 60.96 1a47 h PHE 333 Cb 1.26 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.71 1a47 h PHE 333 CO 0.56 -0.04 0.80 -0.47 -2.02 0.00 0.00 178.31 177.14 1a47 s TYR 334 N -6.07 3.15 -0.21 0.41 5.04 -1.26 -4.91 117.35 113.50 1a47 s TYR 334 Ca -0.13 1.27 0.14 0.00 -2.44 0.00 0.00 57.07 55.91 1a47 s TYR 334 Cb 0.20 -3.37 0.45 0.00 0.35 0.00 0.00 41.96 39.59 1a47 s TYR 334 CO 0.75 -1.03 1.19 -1.71 -1.34 0.00 0.00 175.55 173.41 1a47 n ASN 335 N 6.12 2.69 0.00 4.32 5.15 -1.26 -4.45 115.26 127.83 1a47 n ASN 335 Ca 0.12 -3.30 0.00 0.00 -0.60 0.00 0.00 54.58 50.81 1a47 n ASN 335 Cb 0.46 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1a47 n ASN 335 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a47 n GLY 336 N -0.66 -0.44 7.00 8.20 0.00 -1.26 -5.06 105.19 112.97 1a47 n GLY 336 Ca 0.24 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1a47 n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a47 n GLY 337 N -0.45 -0.18 3.76 -0.02 0.00 -1.26 -4.84 105.19 102.21 1a47 n GLY 337 Ca 0.00 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 1a47 n GLY 337 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a47 s SER 338 N -4.00 5.94 0.00 1.61 0.15 -1.26 -4.94 113.70 111.20 1a47 s SER 338 Ca 0.00 2.44 0.25 0.00 0.70 0.00 0.00 55.95 59.34 1a47 s SER 338 Cb 0.00 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 62.12 1a47 s SER 338 CO 0.00 -1.09 1.36 0.35 1.20 0.00 0.00 173.24 175.06 1a47 n THR 339 N -0.60 0.00 -0.14 6.45 -2.24 -1.26 -4.36 114.28 112.13 1a47 n THR 339 Ca 0.08 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1a47 n THR 339 Cb 0.47 0.62 0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1a47 n THR 339 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1a47 h ARG 340 N 1.07 0.18 -0.78 -0.78 9.65 -1.98 -2.51 114.38 119.23 1a47 h ARG 340 Ca 0.00 -0.01 0.15 0.00 -1.10 0.00 0.00 59.98 59.02 1a47 h ARG 340 Cb 0.56 -0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 29.00 1a47 h ARG 340 CO 0.00 0.12 0.33 -1.35 2.80 0.00 0.00 179.97 181.87 1a47 h PRO 341 N 0.19 0.45 -0.09 0.20 0.11 -1.88 -0.69 132.00 130.28 1a47 h PRO 341 Ca 0.22 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1a47 h PRO 341 Cb 0.30 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1a47 h PRO 341 CO -0.32 0.29 0.05 0.28 -0.21 0.00 0.00 178.00 178.10 1a47 h VAL 342 N 0.46 1.10 -0.95 3.15 2.07 -1.74 -1.50 116.25 118.83 1a47 h VAL 342 Ca 0.44 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.75 1a47 h VAL 342 Cb 0.68 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 1a47 h VAL 342 CO -0.42 0.09 0.60 -0.33 0.02 0.00 0.00 177.57 177.53 1a47 h GLU 343 N 0.04 1.02 -0.31 1.57 5.08 -1.17 0.20 114.58 121.01 1a47 h GLU 343 Ca 0.03 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1a47 h GLU 343 Cb 0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1a47 h GLU 343 CO -0.00 0.67 -0.19 1.96 -1.00 0.00 0.00 179.01 180.45 1a47 h GLN 344 N 1.05 0.56 -0.10 2.33 4.20 -0.91 0.15 115.11 122.38 1a47 h GLN 344 Ca 0.43 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.81 1a47 h GLN 344 Cb 0.26 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1a47 h GLN 344 CO -0.20 0.72 -0.56 0.00 -0.67 0.00 0.00 178.83 178.12 1a47 h ALA 345 N 1.30 0.86 -0.15 3.87 0.00 -0.05 -1.17 119.26 123.91 1a47 h ALA 345 Ca 0.08 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1a47 h ALA 345 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a47 h ALA 345 CO 0.04 0.70 -0.32 -0.07 0.00 0.00 0.00 179.25 179.60 1a47 h LEU 346 N 0.24 0.55 -0.48 0.00 3.38 -0.29 -1.92 115.31 116.79 1a47 h LEU 346 Ca 0.00 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 1a47 h LEU 346 Cb 1.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1a47 h LEU 346 CO 0.09 1.01 0.08 0.00 0.09 0.00 0.00 178.44 179.71 1a47 h ALA 347 N 0.56 0.64 -0.22 1.53 0.00 -0.94 0.18 119.26 121.01 1a47 h ALA 347 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1a47 h ALA 347 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1a47 h ALA 347 CO 0.07 0.37 0.11 0.35 0.00 0.00 0.00 179.25 180.15 1a47 h PHE 348 N 0.67 0.31 -0.37 0.00 3.57 -1.26 -2.08 116.94 117.77 1a47 h PHE 348 Ca 0.15 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1a47 h PHE 348 Cb 0.39 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1a47 h PHE 348 CO 0.03 0.30 0.21 1.15 -2.23 0.00 0.00 178.31 177.77 1a47 h THR 349 N 0.23 1.13 0.00 4.41 2.02 -1.23 -1.55 112.91 117.93 1a47 h THR 349 Ca 0.08 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1a47 h THR 349 Cb 0.10 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1a47 h THR 349 CO -0.01 0.14 -0.19 -0.07 0.37 0.00 0.00 175.52 175.75 1a47 h LEU 350 N 0.48 0.00 -2.18 2.58 3.38 -0.82 -2.77 115.31 115.97 1a47 h LEU 350 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1a47 h LEU 350 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1a47 h LEU 350 CO -0.02 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.05 1a47 n THR 351 N -4.30 0.36 -3.36 0.22 -2.24 -0.80 -4.86 114.28 99.30 1a47 n THR 351 Ca -0.02 -0.68 -0.20 0.00 -2.27 0.00 0.00 64.05 60.87 1a47 n THR 351 Cb 0.26 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1a47 n THR 351 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a47 s SER 352 N -1.52 5.96 0.72 3.42 0.01 -0.60 -4.93 113.70 116.76 1a47 s SER 352 Ca 0.33 -0.01 -0.15 0.00 1.31 0.00 0.00 55.95 57.42 1a47 s SER 352 Cb 0.20 -1.38 0.03 0.00 0.21 0.00 0.00 66.02 65.08 1a47 s SER 352 CO 0.29 -0.48 1.20 0.00 0.41 0.00 0.00 173.24 174.65 1a47 s ARG 353 N -4.28 2.21 0.00 12.44 3.03 -1.26 -4.81 118.95 126.28 1a47 s ARG 353 Ca 0.45 1.73 0.00 0.00 2.03 0.00 0.00 55.73 59.94 1a47 s ARG 353 Cb -0.10 -1.84 0.00 0.00 -1.03 0.00 0.00 34.95 31.98 1a47 s ARG 353 CO 0.33 -1.78 0.00 0.41 -1.13 0.00 0.00 175.30 173.14 1a47 n GLY 354 N 0.32 0.40 2.75 3.88 0.00 -1.23 -4.84 105.19 106.47 1a47 n GLY 354 Ca 0.13 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 1a47 n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a47 s VAL 355 N 0.00 0.61 0.37 1.61 1.01 0.94 -4.58 120.40 120.37 1a47 s VAL 355 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 1a47 s VAL 355 Cb 0.00 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 1a47 s VAL 355 CO 0.00 -0.22 1.12 -2.84 0.00 0.00 0.00 175.10 173.16 1a47 s PRO 356 N 1.81 4.22 -0.05 2.72 0.02 -1.26 -0.61 135.00 141.85 1a47 s PRO 356 Ca -0.01 1.74 0.02 0.00 0.02 0.00 0.00 61.00 62.77 1a47 s PRO 356 Cb -0.17 -2.75 0.01 0.00 0.02 0.00 0.00 34.50 31.61 1a47 s PRO 356 CO -0.08 -0.15 -0.09 0.00 -0.33 0.00 0.00 177.00 176.35 1a47 s ALA 357 N -1.43 0.94 -0.18 -1.55 0.00 -0.70 -0.97 121.76 117.87 1a47 s ALA 357 Ca 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1a47 s ALA 357 Cb -0.28 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1a47 s ALA 357 CO 0.36 0.08 -0.16 0.42 0.00 0.00 0.00 175.76 176.46 1a47 s ILE 358 N 0.65 2.48 0.09 0.00 1.01 0.14 -4.48 121.20 121.09 1a47 s ILE 358 Ca -0.11 -0.81 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 1a47 s ILE 358 Cb -0.14 -2.06 -0.08 0.00 0.01 0.00 0.00 42.46 40.20 1a47 s ILE 358 CO 0.02 0.51 1.44 -0.47 0.00 0.00 0.00 174.94 176.43 1a47 s TYR 359 N 1.16 3.04 0.17 3.97 5.04 -1.26 0.24 117.35 129.70 1a47 s TYR 359 Ca 0.01 0.82 -0.33 0.00 -2.44 0.00 0.00 57.07 55.13 1a47 s TYR 359 Cb -0.14 -3.73 -0.15 0.00 0.35 0.00 0.00 41.96 38.29 1a47 s TYR 359 CO -0.07 -2.66 1.29 2.48 -1.34 0.00 0.00 175.55 175.26 1a47 n TYR 360 N 4.48 1.61 -0.14 4.97 4.11 0.45 -1.77 117.16 130.87 1a47 n TYR 360 Ca 0.13 0.58 0.00 0.00 -0.00 0.00 0.00 57.90 58.61 1a47 n TYR 360 Cb 0.42 -2.35 0.00 0.00 -0.00 0.00 0.00 39.34 37.41 1a47 n TYR 360 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1a47 n GLY 361 N 2.29 0.76 0.29 -7.48 0.00 -1.26 -4.92 105.19 94.86 1a47 n GLY 361 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1a47 n GLY 361 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1a47 h THR 362 N 0.00 1.24 0.00 2.61 2.02 -1.70 -0.96 112.91 116.12 1a47 h THR 362 Ca 0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1a47 h THR 362 Cb 0.00 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1a47 h THR 362 CO 0.00 0.30 0.00 -1.84 0.37 0.00 0.00 175.52 174.35 1a47 n GLU 363 N -4.41 0.42 -0.07 6.66 0.00 -1.26 -1.81 120.64 120.17 1a47 n GLU 363 Ca 0.04 0.06 0.05 0.00 0.00 0.00 0.00 57.16 57.31 1a47 n GLU 363 Cb 0.18 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.20 1a47 n GLU 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1a47 n GLN 364 N -1.12 1.50 -2.48 3.44 1.13 -0.41 -4.21 117.38 115.22 1a47 n GLN 364 Ca 0.11 -1.50 -0.19 0.00 -1.94 0.00 0.00 57.00 53.48 1a47 n GLN 364 Cb 0.09 -1.22 -0.00 0.00 0.11 0.00 0.00 30.24 29.22 1a47 n GLN 364 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1a47 n TYR 365 N 0.51 -1.08 -1.94 1.08 4.01 -0.75 -4.94 117.16 114.06 1a47 n TYR 365 Ca 0.08 0.10 -0.41 0.00 -0.16 0.00 0.00 57.90 57.51 1a47 n TYR 365 Cb 0.32 -3.78 -0.02 0.00 -0.31 0.00 0.00 39.34 35.56 1a47 n TYR 365 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1a47 s MET 366 N -5.07 4.22 0.24 -0.72 -1.94 -0.92 -4.95 119.30 110.16 1a47 s MET 366 Ca 0.06 2.40 0.09 0.00 -1.71 0.00 0.00 55.69 56.53 1a47 s MET 366 Cb -0.03 -3.06 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 1a47 s MET 366 CO 0.07 -0.44 -0.03 0.95 -0.01 0.00 0.00 175.02 175.56 1a47 s THR 367 N -0.43 3.42 0.00 2.05 -4.23 -1.26 -4.43 115.64 110.76 1a47 s THR 367 Ca 0.57 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1a47 s THR 367 Cb -0.44 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1a47 s THR 367 CO 0.50 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1a47 n GLY 368 N -0.61 1.89 3.45 3.99 0.00 -1.26 -4.83 105.19 107.81 1a47 n GLY 368 Ca -0.08 0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 1a47 n GLY 368 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a47 s ASN 369 N 0.00 5.85 0.00 1.61 0.01 -1.26 0.24 114.94 121.40 1a47 s ASN 369 Ca 0.00 -0.69 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 1a47 s ASN 369 Cb 0.00 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.58 1a47 s ASN 369 CO 0.00 -0.31 0.00 0.61 -1.51 0.00 0.00 177.10 175.89 1a47 n GLY 370 N 5.06 -2.24 3.73 0.66 0.00 -1.26 -4.65 105.19 106.49 1a47 n GLY 370 Ca -0.12 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1a47 n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a47 s ASP 371 N -2.97 6.87 -0.07 1.61 -1.08 -1.26 0.26 116.67 120.02 1a47 s ASP 371 Ca 0.00 2.40 0.20 0.00 -0.52 0.00 0.00 52.55 54.63 1a47 s ASP 371 Cb 0.00 -2.61 0.69 0.00 -1.46 0.00 0.00 42.92 39.54 1a47 s ASP 371 CO 0.00 -0.57 1.59 -0.81 0.52 0.00 0.00 175.17 175.91 1a47 n PRO 372 N 2.92 3.36 0.26 4.34 -0.04 -1.26 -4.91 135.00 139.67 1a47 n PRO 372 Ca 0.07 -2.80 0.18 0.00 -0.04 0.00 0.00 63.50 60.91 1a47 n PRO 372 Cb 0.43 -1.77 0.92 0.00 -0.04 0.00 0.00 33.50 33.03 1a47 n PRO 372 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1a47 h TYR 373 N 4.12 0.00 -0.35 0.54 0.05 -0.46 0.11 116.97 120.99 1a47 h TYR 373 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1a47 h TYR 373 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 1a47 h TYR 373 CO 0.66 0.00 0.00 0.27 -1.05 0.00 0.00 178.16 178.04 1a47 n ASN 374 N -3.51 1.92 -2.05 3.88 0.23 -0.75 -4.02 115.26 110.96 1a47 n ASN 374 Ca -0.00 -1.98 -0.15 0.00 -0.53 0.00 0.00 54.58 51.91 1a47 n ASN 374 Cb 0.26 -0.23 0.04 0.00 -2.08 0.00 0.00 39.78 37.77 1a47 n ASN 374 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1a47 n ARG 375 N 0.55 2.90 -1.35 -3.83 3.00 0.40 -4.81 116.66 113.52 1a47 n ARG 375 Ca 0.12 -3.88 -0.31 0.00 -0.01 0.00 0.00 57.85 53.78 1a47 n ARG 375 Cb 0.31 -2.00 0.09 0.00 0.00 0.00 0.00 32.46 30.86 1a47 n ARG 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a47 s ALA 376 N -3.50 2.23 0.51 7.54 0.00 -1.26 -4.85 121.76 122.44 1a47 s ALA 376 Ca 0.44 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.29 1a47 s ALA 376 Cb 0.39 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.23 1a47 s ALA 376 CO 0.01 -1.74 1.29 1.41 0.00 0.00 0.00 175.76 176.73 1a47 s MET 377 N -4.97 3.41 -0.33 0.00 1.75 -1.26 -4.84 119.30 113.07 1a47 s MET 377 Ca 0.61 2.09 -0.36 0.00 -1.25 0.00 0.00 55.69 56.77 1a47 s MET 377 Cb -0.16 -2.35 -0.12 0.00 2.84 0.00 0.00 34.83 35.03 1a47 s MET 377 CO 0.56 -0.92 2.11 -1.33 -0.65 0.00 0.00 175.02 174.78 1a47 n MET 378 N -0.75 1.11 0.00 4.11 2.81 0.25 -4.88 117.12 119.76 1a47 n MET 378 Ca 0.09 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 1a47 n MET 378 Cb 0.46 -2.38 0.00 0.00 -0.71 0.00 0.00 33.22 30.59 1a47 n MET 378 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1a47 n THR 379 N 6.70 0.00 -4.26 2.03 -2.24 -1.26 -4.95 114.28 110.30 1a47 n THR 379 Ca 0.39 1.09 -0.14 0.00 -2.27 0.00 0.00 64.05 63.12 1a47 n THR 379 Cb 0.21 -2.03 -0.10 0.00 -2.10 0.00 0.00 70.33 66.30 1a47 n THR 379 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a47 s SER 380 N -2.11 0.75 -0.33 3.42 1.04 -1.26 -5.06 113.70 110.14 1a47 s SER 380 Ca 0.00 -1.36 0.07 0.00 0.48 0.00 0.00 55.95 55.14 1a47 s SER 380 Cb 0.00 0.25 0.45 0.00 0.10 0.00 0.00 66.02 66.82 1a47 s SER 380 CO 0.00 -0.76 1.16 0.49 0.98 0.00 0.00 173.24 175.11 1a47 n PHE 381 N -0.35 2.87 -2.60 5.02 3.01 -1.26 -4.94 117.46 119.20 1a47 n PHE 381 Ca -0.00 -2.49 -0.42 0.00 1.01 0.00 0.00 57.45 55.56 1a47 n PHE 381 Cb 0.66 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 39.83 1a47 n PHE 381 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1a47 s ASN 382 N -3.58 7.31 -0.08 4.37 3.04 -1.26 -4.95 114.94 119.78 1a47 s ASN 382 Ca 0.49 1.88 0.18 0.00 0.04 0.00 0.00 52.86 55.44 1a47 s ASN 382 Cb 0.40 -2.58 0.63 0.00 -1.54 0.00 0.00 41.25 38.16 1a47 s ASN 382 CO -0.03 -0.25 1.54 0.35 -3.04 0.00 0.00 177.10 175.67 1a47 n THR 383 N 3.26 1.61 0.10 -5.21 -2.24 -1.26 -4.38 114.28 106.16 1a47 n THR 383 Ca 0.05 -1.20 0.11 0.00 -2.27 0.00 0.00 64.05 60.74 1a47 n THR 383 Cb 0.48 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.84 1a47 n THR 383 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a47 n SER 384 N 0.97 0.38 -4.62 3.42 7.64 -1.26 -4.71 113.62 115.44 1a47 n SER 384 Ca 0.23 0.08 -0.45 0.00 1.01 0.00 0.00 58.87 59.74 1a47 n SER 384 Cb 0.78 1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 65.27 1a47 n SER 384 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1a47 n THR 385 N -2.37 1.43 0.07 0.44 -2.24 -1.26 -4.83 114.28 105.52 1a47 n THR 385 Ca -0.02 -0.36 0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1a47 n THR 385 Cb 0.55 -1.15 0.62 0.00 -2.10 0.00 0.00 70.33 68.25 1a47 n THR 385 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1a47 h THR 386 N 2.52 0.88 -0.13 4.28 2.02 -1.93 0.38 112.91 120.92 1a47 h THR 386 Ca -0.43 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.55 1a47 h THR 386 Cb 1.32 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1a47 h THR 386 CO 0.67 0.02 -0.61 0.00 0.37 0.00 0.00 175.52 175.97 1a47 h ALA 387 N 1.82 0.70 -0.26 6.16 0.00 -1.88 -1.53 119.26 124.26 1a47 h ALA 387 Ca 0.16 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1a47 h ALA 387 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1a47 h ALA 387 CO -0.02 0.71 -0.25 -0.92 0.00 0.00 0.00 179.25 178.77 1a47 h TYR 388 N 0.34 0.56 0.03 0.00 5.03 -1.12 -2.94 116.97 118.87 1a47 h TYR 388 Ca -0.01 -0.12 -0.23 0.00 2.58 0.00 0.00 58.73 60.95 1a47 h TYR 388 Cb 1.15 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.29 1a47 h TYR 388 CO 0.04 0.71 -0.99 -0.91 -1.32 0.00 0.00 178.16 175.69 1a47 h ASN 389 N 0.44 0.44 -0.20 -2.11 2.35 -1.24 -2.68 115.58 112.58 1a47 h ASN 389 Ca 0.06 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.46 1a47 h ASN 389 Cb 0.68 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 1a47 h ASN 389 CO 0.05 1.20 0.04 0.58 -1.65 0.00 0.00 177.43 177.65 1a47 h VAL 390 N 0.16 0.91 -0.46 2.81 2.07 -1.16 -0.46 116.25 120.13 1a47 h VAL 390 Ca -0.08 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1a47 h VAL 390 Cb 1.65 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1a47 h VAL 390 CO 0.17 0.02 0.13 0.40 0.02 0.00 0.00 177.57 178.31 1a47 h ILE 391 N 0.12 1.23 -0.95 4.57 2.04 -1.59 -0.75 117.51 122.17 1a47 h ILE 391 Ca 0.09 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.30 1a47 h ILE 391 Cb 0.08 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 1a47 h ILE 391 CO -0.12 0.28 0.58 0.50 0.00 0.00 0.00 178.15 179.39 1a47 h LYS 392 N 0.61 0.87 0.15 2.37 3.64 -0.97 0.18 116.57 123.43 1a47 h LYS 392 Ca 0.15 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.23 1a47 h LYS 392 Cb 0.29 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1a47 h LYS 392 CO -0.00 0.58 -1.12 0.87 -2.27 0.00 0.00 179.45 177.50 1a47 h LYS 393 N 0.90 0.33 0.12 1.90 1.57 -0.86 -3.39 116.57 117.13 1a47 h LYS 393 Ca 0.48 -0.56 -0.27 0.00 -1.87 0.00 0.00 60.65 58.43 1a47 h LYS 393 Cb 0.51 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1a47 h LYS 393 CO -0.28 1.27 -1.24 -0.07 -0.57 0.00 0.00 179.45 178.56 1a47 h LEU 394 N -0.25 0.39 -0.32 2.94 3.38 -0.98 -3.38 115.31 117.09 1a47 h LEU 394 Ca -0.21 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.41 1a47 h LEU 394 Cb 1.78 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.32 1a47 h LEU 394 CO 0.15 1.33 -0.28 0.00 0.09 0.00 0.00 178.44 179.73 1a47 h ALA 395 N 0.61 -0.14 -0.27 1.53 0.00 -0.83 -1.70 119.26 118.46 1a47 h ALA 395 Ca -0.13 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1a47 h ALA 395 Cb 1.96 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 20.33 1a47 h ALA 395 CO 0.20 -0.69 0.23 -1.35 0.00 0.00 0.00 179.25 177.64 1a47 h PRO 396 N -0.25 0.00 -0.57 0.00 0.11 -1.77 -2.34 132.00 127.18 1a47 h PRO 396 Ca 0.16 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.39 1a47 h PRO 396 Cb 0.50 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 1a47 h PRO 396 CO -0.46 0.00 0.39 -0.07 -0.21 0.00 0.00 178.00 177.65 1a47 h LEU 397 N 0.00 0.23 -2.62 2.35 3.38 -1.49 -0.56 115.31 116.60 1a47 h LEU 397 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1a47 h LEU 397 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1a47 h LEU 397 CO -0.00 0.14 0.00 0.03 0.09 0.00 0.00 178.44 178.69 1a47 h ARG 398 N 0.26 0.00 0.00 1.13 3.08 -1.54 0.29 114.38 117.60 1a47 h ARG 398 Ca 0.27 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.94 1a47 h ARG 398 Cb 0.71 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 1a47 h ARG 398 CO -0.06 0.00 -2.39 1.63 -1.07 0.00 0.00 179.97 178.08 1a47 n LYS 399 N -3.04 0.67 0.04 0.04 5.02 -0.25 -4.39 118.16 116.24 1a47 n LYS 399 Ca -0.02 0.08 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 1a47 n LYS 399 Cb 0.11 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.47 1a47 n LYS 399 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a47 h SER 400 N 0.00 0.00 -3.84 4.39 4.64 -1.07 -3.42 113.55 114.25 1a47 h SER 400 Ca -0.55 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.10 1a47 h SER 400 Cb 2.08 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 63.79 1a47 h SER 400 CO -0.02 0.95 -0.61 0.21 -0.87 0.00 0.00 176.83 176.49 1a47 s ASN 401 N -6.44 4.87 0.67 4.97 3.84 0.10 -4.95 114.94 118.00 1a47 s ASN 401 Ca -0.01 -2.40 0.31 0.00 0.21 0.00 0.00 52.86 50.97 1a47 s ASN 401 Cb 0.09 -1.72 1.67 0.00 -0.55 0.00 0.00 41.25 40.75 1a47 s ASN 401 CO 0.82 -0.39 1.94 1.55 -2.79 0.00 0.00 177.10 178.23 1a47 h PRO 402 N 7.42 0.00 -0.10 0.43 0.13 -1.83 0.22 132.00 138.28 1a47 h PRO 402 Ca -0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.94 1a47 h PRO 402 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1a47 h PRO 402 CO 0.63 0.00 -0.47 0.00 -0.23 0.00 0.00 178.00 177.93 1a47 h ALA 403 N 1.37 1.03 0.00 -0.56 0.00 -1.86 0.12 119.26 119.35 1a47 h ALA 403 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1a47 h ALA 403 Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1a47 h ALA 403 CO -0.00 0.63 -0.90 0.82 0.00 0.00 0.00 179.25 179.80 1a47 h ILE 404 N 0.19 1.58 0.04 0.00 2.04 -0.87 -0.45 117.51 120.04 1a47 h ILE 404 Ca 0.01 -3.17 -0.05 0.00 1.00 0.00 0.00 64.86 62.64 1a47 h ILE 404 Cb 0.91 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1a47 h ILE 404 CO 0.07 0.89 -0.24 0.00 0.00 0.00 0.00 178.15 178.86 1a47 h ALA 405 N 1.10 -0.01 0.00 1.87 0.00 -1.28 -3.43 119.26 117.50 1a47 h ALA 405 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1a47 h ALA 405 Cb 1.67 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1a47 h ALA 405 CO 0.12 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.15 1a47 n TYR 406 N -4.48 0.00 -0.85 0.00 4.01 0.38 -4.68 117.16 111.54 1a47 n TYR 406 Ca -0.12 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.32 1a47 n TYR 406 Cb 0.57 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.76 1a47 n TYR 406 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1a47 s GLY 407 N -0.14 1.66 0.88 2.72 0.00 -0.18 -4.91 107.32 107.35 1a47 s GLY 407 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 44.72 44.94 1a47 s GLY 407 CO 0.00 0.81 1.24 -0.51 0.00 0.00 0.00 173.10 174.64 1a47 s THR 408 N -2.71 2.01 -0.09 0.90 -4.23 0.63 -4.68 115.64 107.46 1a47 s THR 408 Ca 0.65 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.18 1a47 s THR 408 Cb -0.21 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.64 1a47 s THR 408 CO 0.58 0.00 -0.19 -0.89 -0.54 0.00 0.00 174.62 173.58 1a47 s THR 409 N -3.72 1.72 -0.07 3.99 2.01 -1.26 -2.14 115.64 116.18 1a47 s THR 409 Ca 0.68 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1a47 s THR 409 Cb -0.07 -1.52 0.04 0.00 0.01 0.00 0.00 72.50 70.96 1a47 s THR 409 CO 0.51 0.48 0.16 -1.58 -0.69 0.00 0.00 174.62 173.50 1a47 s GLN 410 N 0.56 0.11 0.09 4.92 0.74 -0.83 -4.96 119.66 120.29 1a47 s GLN 410 Ca -0.15 0.37 -0.30 0.00 0.05 0.00 0.00 55.36 55.33 1a47 s GLN 410 Cb -0.17 -0.15 -0.06 0.00 1.10 0.00 0.00 33.01 33.74 1a47 s GLN 410 CO 0.05 -0.15 1.11 -1.14 -0.55 0.00 0.00 175.29 174.61 1a47 s GLN 411 N 1.08 4.52 -0.00 1.67 -0.44 -1.26 0.24 119.66 125.47 1a47 s GLN 411 Ca -0.08 1.68 0.03 0.00 -2.50 0.00 0.00 55.36 54.49 1a47 s GLN 411 Cb -0.10 -3.34 -0.05 0.00 -1.64 0.00 0.00 33.01 27.88 1a47 s GLN 411 CO -0.06 -0.08 0.11 0.54 0.50 0.00 0.00 175.29 176.30 1a47 n ARG 412 N 3.31 2.80 -3.64 1.67 1.74 0.11 -4.93 116.66 117.73 1a47 n ARG 412 Ca 0.06 -0.02 -0.06 0.00 -0.77 0.00 0.00 57.85 57.06 1a47 n ARG 412 Cb 0.47 -0.88 -0.07 0.00 -1.02 0.00 0.00 32.46 30.96 1a47 n ARG 412 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1a47 s TRP 413 N -1.81 -0.69 -0.28 -1.55 -0.00 -1.03 -4.53 118.94 109.05 1a47 s TRP 413 Ca -0.00 1.45 -0.20 0.00 -0.00 0.00 0.00 56.10 57.35 1a47 s TRP 413 Cb 0.02 0.41 0.09 0.00 -0.00 0.00 0.00 33.47 34.00 1a47 s TRP 413 CO 0.14 -0.34 0.79 -1.50 -0.00 0.00 0.00 176.95 176.04 1a47 s ILE 414 N 1.07 0.00 0.00 5.86 2.07 -1.26 -0.96 121.20 127.98 1a47 s ILE 414 Ca -0.06 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 1a47 s ILE 414 Cb -0.04 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.55 1a47 s ILE 414 CO -0.13 0.00 0.00 -0.46 -1.91 0.00 0.00 174.94 172.44 1a47 n ASN 415 N 3.40 0.25 0.14 4.50 6.94 -0.75 -5.00 115.26 124.74 1a47 n ASN 415 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 1a47 n ASN 415 Cb 0.57 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 38.15 1a47 n ASN 415 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1a47 h ASN 416 N 0.00 0.00 0.00 0.53 2.35 -1.99 -3.37 115.58 113.10 1a47 h ASN 416 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1a47 h ASN 416 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1a47 h ASN 416 CO 0.00 0.60 -1.36 0.47 -1.65 0.00 0.00 177.43 175.49 1a47 n ASP 417 N -3.60 3.45 -4.85 5.81 8.00 -1.26 -2.94 116.55 121.17 1a47 n ASP 417 Ca -0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.13 1a47 n ASP 417 Cb 0.65 1.03 -0.07 0.00 -0.02 0.00 0.00 41.12 42.71 1a47 n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1a47 s VAL 418 N -2.33 5.28 -0.13 2.53 1.01 -1.26 -1.07 120.40 124.43 1a47 s VAL 418 Ca -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1a47 s VAL 418 Cb 0.03 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.17 1a47 s VAL 418 CO 0.27 0.59 0.15 -0.47 0.00 0.00 0.00 175.10 175.65 1a47 s TYR 419 N -1.03 -0.11 -0.33 5.22 5.04 -0.31 -1.81 117.35 124.01 1a47 s TYR 419 Ca 0.16 0.30 0.03 0.00 -2.44 0.00 0.00 57.07 55.11 1a47 s TYR 419 Cb -0.12 -0.39 0.10 0.00 0.35 0.00 0.00 41.96 41.90 1a47 s TYR 419 CO 0.05 -0.40 0.06 0.42 -1.34 0.00 0.00 175.55 174.34 1a47 s ILE 420 N 2.26 1.96 0.33 3.14 1.01 -0.13 -1.39 121.20 128.38 1a47 s ILE 420 Ca 0.04 -2.14 0.08 0.00 0.00 0.00 0.00 60.65 58.62 1a47 s ILE 420 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1a47 s ILE 420 CO -0.08 -0.62 0.27 -0.72 0.00 0.00 0.00 174.94 173.79 1a47 s TYR 421 N 1.05 2.88 -0.06 3.97 1.13 -0.95 0.10 117.35 125.47 1a47 s TYR 421 Ca 0.11 -0.31 -0.00 0.00 -1.41 0.00 0.00 57.07 55.46 1a47 s TYR 421 Cb -0.19 -1.76 0.03 0.00 -1.10 0.00 0.00 41.96 38.94 1a47 s TYR 421 CO -0.12 0.22 -0.02 -2.00 -2.51 0.00 0.00 175.55 171.12 1a47 s GLU 422 N -3.97 0.69 -0.23 -3.49 2.12 0.14 -1.83 118.70 112.13 1a47 s GLU 422 Ca 0.40 0.00 -0.17 0.00 0.36 0.00 0.00 54.97 55.56 1a47 s GLU 422 Cb -0.05 -0.88 -0.03 0.00 0.26 0.00 0.00 34.13 33.43 1a47 s GLU 422 CO 0.26 -0.19 0.47 1.03 -0.54 0.00 0.00 175.26 176.29 1a47 s ARG 423 N 1.41 4.12 -0.06 4.30 1.81 0.13 -1.97 118.95 128.69 1a47 s ARG 423 Ca -0.03 0.29 0.02 0.00 -1.72 0.00 0.00 55.73 54.28 1a47 s ARG 423 Cb -0.13 -3.60 0.02 0.00 -0.45 0.00 0.00 34.95 30.78 1a47 s ARG 423 CO -0.03 -0.22 -0.09 0.21 -0.68 0.00 0.00 175.30 174.49 1a47 s LYS 424 N 1.90 1.33 -0.44 3.54 2.20 -0.91 -1.26 119.74 126.10 1a47 s LYS 424 Ca 0.21 -0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.57 1a47 s LYS 424 Cb -0.15 -1.16 0.16 0.00 -1.51 0.00 0.00 37.83 35.17 1a47 s LYS 424 CO 0.09 -0.02 0.34 0.12 -0.36 0.00 0.00 175.35 175.52 1a47 s PHE 425 N 0.76 1.36 0.00 4.03 5.36 -1.05 -0.27 117.98 128.18 1a47 s PHE 425 Ca -0.13 -2.36 0.00 0.00 -0.96 0.00 0.00 56.93 53.48 1a47 s PHE 425 Cb -0.15 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 1a47 s PHE 425 CO 0.02 -0.79 0.00 0.41 -1.46 0.00 0.00 175.22 173.40 1a47 n GLY 426 N 2.92 2.05 0.08 13.12 0.00 -1.26 -3.05 105.19 119.05 1a47 n GLY 426 Ca 0.26 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.90 1a47 n GLY 426 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a47 n ASN 427 N 8.44 0.61 -4.77 1.61 3.02 -1.26 -4.91 115.26 118.00 1a47 n ASN 427 Ca 0.00 0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 1a47 n ASN 427 Cb 0.00 0.88 -0.02 0.00 -0.61 0.00 0.00 39.78 40.02 1a47 n ASN 427 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1a47 s ASN 428 N -5.08 6.85 0.03 6.41 0.01 -1.17 -4.58 114.94 117.41 1a47 s ASN 428 Ca -0.02 2.61 -0.05 0.00 -0.71 0.00 0.00 52.86 54.69 1a47 s ASN 428 Cb 0.11 -2.64 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1a47 s ASN 428 CO 0.82 -0.48 0.09 -0.69 -1.51 0.00 0.00 177.10 175.33 1a47 s VAL 429 N -1.06 0.13 -0.11 1.60 1.01 0.34 -2.52 120.40 119.79 1a47 s VAL 429 Ca 0.49 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1a47 s VAL 429 Cb -0.39 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.22 1a47 s VAL 429 CO 0.50 -0.58 0.23 0.00 0.00 0.00 0.00 175.10 175.25 1a47 s ALA 430 N -2.45 -0.49 -0.11 5.51 0.00 -0.39 -0.38 121.76 123.44 1a47 s ALA 430 Ca -0.06 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.83 1a47 s ALA 430 Cb -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.37 1a47 s ALA 430 CO -0.04 -0.35 -0.20 -1.17 0.00 0.00 0.00 175.76 174.00 1a47 s LEU 431 N 1.68 1.96 -0.08 0.00 2.96 0.14 0.21 118.68 125.55 1a47 s LEU 431 Ca -0.05 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1a47 s LEU 431 Cb -0.11 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.30 1a47 s LEU 431 CO -0.08 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.18 1a47 s VAL 432 N 0.72 1.47 -0.18 1.68 1.01 -0.76 -0.65 120.40 123.69 1a47 s VAL 432 Ca -0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1a47 s VAL 432 Cb -0.16 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1a47 s VAL 432 CO 0.02 0.43 -0.09 0.00 0.00 0.00 0.00 175.10 175.45 1a47 s ALA 433 N 0.62 2.69 -0.02 5.51 0.00 -0.40 -2.24 121.76 127.92 1a47 s ALA 433 Ca -0.15 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1a47 s ALA 433 Cb -0.16 -1.46 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1a47 s ALA 433 CO 0.05 -0.15 -0.13 0.42 0.00 0.00 0.00 175.76 175.94 1a47 s ILE 434 N 1.01 1.08 -0.30 0.00 1.01 -0.49 -1.29 121.20 122.22 1a47 s ILE 434 Ca -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1a47 s ILE 434 Cb -0.15 -0.92 0.09 0.00 0.01 0.00 0.00 42.46 41.49 1a47 s ILE 434 CO -0.01 0.32 0.06 0.21 0.00 0.00 0.00 174.94 175.51 1a47 s ASN 435 N -0.05 4.11 0.46 3.58 2.47 -0.76 -1.16 114.94 123.59 1a47 s ASN 435 Ca -0.00 -1.63 0.17 0.00 0.42 0.00 0.00 52.86 51.82 1a47 s ASN 435 Cb -0.08 -1.09 1.09 0.00 -1.45 0.00 0.00 41.25 39.71 1a47 s ASN 435 CO 0.01 -0.37 2.00 0.08 -3.72 0.00 0.00 177.10 175.10 1a47 h ARG 436 N 7.96 0.00 -6.12 0.43 -0.00 -1.42 -2.70 114.38 112.53 1a47 h ARG 436 Ca -0.12 0.00 -0.57 0.00 -0.00 0.00 0.00 59.98 59.29 1a47 h ARG 436 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.00 1a47 h ARG 436 CO 0.46 0.18 1.39 1.21 -0.00 0.00 0.00 179.97 183.21 1a47 s ASN 437 N -6.83 5.78 -0.01 0.08 3.84 -1.26 -4.62 114.94 111.92 1a47 s ASN 437 Ca -0.04 2.04 0.03 0.00 0.21 0.00 0.00 52.86 55.10 1a47 s ASN 437 Cb 0.15 -2.52 0.11 0.00 -0.55 0.00 0.00 41.25 38.44 1a47 s ASN 437 CO 0.68 -1.68 1.03 0.18 -2.79 0.00 0.00 177.10 174.52 1a47 n LEU 438 N 10.38 0.80 0.00 3.21 4.77 -1.26 -0.30 117.00 134.60 1a47 n LEU 438 Ca 0.26 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1a47 n LEU 438 Cb 0.44 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1a47 n LEU 438 CO 0.67 0.18 0.00 -1.54 -1.33 0.00 0.00 177.39 175.37 1a47 n SER 439 N -0.12 0.00 -3.94 -1.43 3.41 -1.26 -4.77 113.62 105.51 1a47 n SER 439 Ca 0.04 -0.98 -0.26 0.00 -0.26 0.00 0.00 58.87 57.41 1a47 n SER 439 Cb 0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.93 1a47 n SER 439 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a47 s THR 440 N 0.00 1.03 0.36 6.66 2.01 -1.25 -4.95 115.64 119.50 1a47 s THR 440 Ca 0.00 -0.34 -0.10 0.00 0.31 0.00 0.00 61.69 61.56 1a47 s THR 440 Cb 0.00 -1.01 -0.07 0.00 0.01 0.00 0.00 72.50 71.43 1a47 s THR 440 CO 0.00 0.35 0.71 -0.44 -0.69 0.00 0.00 174.62 174.55 1a47 s SER 441 N 1.31 6.55 0.00 3.53 0.01 -1.26 -4.00 113.70 119.85 1a47 s SER 441 Ca -0.03 1.06 0.04 0.00 1.31 0.00 0.00 55.95 58.34 1a47 s SER 441 Cb -0.14 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1a47 s SER 441 CO -0.04 -0.31 -0.14 -0.31 0.41 0.00 0.00 173.24 172.86 1a47 s TYR 442 N -2.21 1.25 -0.47 2.43 2.02 -0.66 -4.95 117.35 114.75 1a47 s TYR 442 Ca 0.50 -0.26 -0.21 0.00 -0.37 0.00 0.00 57.07 56.73 1a47 s TYR 442 Cb -0.10 -0.79 0.04 0.00 -0.40 0.00 0.00 41.96 40.70 1a47 s TYR 442 CO 0.28 -0.01 0.67 1.21 -1.57 0.00 0.00 175.55 176.14 1a47 s ASN 443 N -0.51 6.29 -0.41 2.29 2.47 -1.26 0.30 114.94 124.11 1a47 s ASN 443 Ca 0.05 -0.52 -0.21 0.00 0.42 0.00 0.00 52.86 52.59 1a47 s ASN 443 Cb -0.06 -2.32 0.02 0.00 -1.45 0.00 0.00 41.25 37.43 1a47 s ASN 443 CO -0.00 -0.87 0.68 -0.63 -3.72 0.00 0.00 177.10 172.56 1a47 s ILE 444 N 2.89 4.81 0.10 -5.21 1.09 0.12 -4.96 121.20 120.04 1a47 s ILE 444 Ca 0.21 0.39 0.04 0.00 -1.10 0.00 0.00 60.65 60.19 1a47 s ILE 444 Cb -0.16 -4.18 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1a47 s ILE 444 CO 0.17 -0.51 -0.11 0.42 -0.10 0.00 0.00 174.94 174.81 1a47 s THR 445 N 2.89 0.98 -0.08 2.92 -4.23 -1.26 -2.06 115.64 114.80 1a47 s THR 445 Ca 0.25 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1a47 s THR 445 Cb -0.14 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1a47 s THR 445 CO 0.18 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1a47 n GLY 446 N 0.60 0.47 3.75 3.99 0.00 -1.26 -5.02 105.19 107.73 1a47 n GLY 446 Ca -0.16 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1a47 n GLY 446 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a47 s LEU 447 N -0.18 4.54 0.15 0.99 2.96 -1.26 -5.01 118.68 120.87 1a47 s LEU 447 Ca 0.00 1.68 0.07 0.00 -0.22 0.00 0.00 54.13 55.65 1a47 s LEU 447 Cb 0.00 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 1a47 s LEU 447 CO 0.00 0.07 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.65 1a47 s TYR 448 N -0.53 1.54 0.25 5.38 1.51 -1.26 -1.38 117.35 122.85 1a47 s TYR 448 Ca 0.40 -0.57 -0.16 0.00 -1.01 0.00 0.00 57.07 55.74 1a47 s TYR 448 Cb -0.23 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1a47 s TYR 448 CO 0.27 0.22 0.55 -0.08 -1.11 0.00 0.00 175.55 175.40 1a47 s THR 449 N -2.46 0.01 -1.77 -0.71 -1.32 0.13 -4.90 115.64 104.62 1a47 s THR 449 Ca 0.14 -1.19 0.25 0.00 -1.21 0.00 0.00 61.69 59.68 1a47 s THR 449 Cb -0.03 -2.04 0.15 0.00 -1.51 0.00 0.00 72.50 69.07 1a47 s THR 449 CO 0.04 -0.03 1.39 0.00 -2.21 0.00 0.00 174.62 173.82 1a47 n ALA 450 N -0.39 3.32 -1.80 11.08 0.00 -1.26 -4.49 120.51 126.96 1a47 n ALA 450 Ca -0.04 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 1a47 n ALA 450 Cb 0.61 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 1a47 n ALA 450 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a47 s LEU 451 N -2.54 4.39 0.83 0.00 1.43 -1.26 -4.94 118.68 116.58 1a47 s LEU 451 Ca 0.21 2.65 -0.14 0.00 -1.03 0.00 0.00 54.13 55.82 1a47 s LEU 451 Cb 0.19 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.85 1a47 s LEU 451 CO 0.56 -0.96 0.59 -2.65 0.23 0.00 0.00 176.35 174.12 1a47 n PRO 452 N 5.62 0.04 -1.71 1.29 -0.02 -1.26 -4.76 135.00 134.21 1a47 n PRO 452 Ca 0.17 0.07 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 1a47 n PRO 452 Cb 0.39 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 1a47 n PRO 452 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a47 n ALA 453 N -3.03 1.61 0.00 3.55 0.00 -1.26 -4.77 120.51 116.62 1a47 n ALA 453 Ca 0.09 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1a47 n ALA 453 Cb 0.51 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1a47 n ALA 453 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a47 n GLY 454 N 1.39 -0.69 3.40 0.00 0.00 -0.28 -4.96 105.19 104.04 1a47 n GLY 454 Ca 0.07 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1a47 n GLY 454 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a47 s THR 455 N -2.20 3.76 -0.08 2.61 2.01 -1.26 0.22 115.64 120.71 1a47 s THR 455 Ca 0.00 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.63 1a47 s THR 455 Cb 0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1a47 s THR 455 CO 0.00 0.42 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.99 1a47 s TYR 456 N 1.22 3.01 0.30 4.92 1.51 0.10 -4.95 117.35 123.46 1a47 s TYR 456 Ca 0.03 0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.21 1a47 s TYR 456 Cb -0.15 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1a47 s TYR 456 CO 0.00 0.35 0.34 0.95 -1.11 0.00 0.00 175.55 176.09 1a47 s THR 457 N -0.77 4.24 -0.05 -0.71 -4.23 -1.26 0.23 115.64 113.09 1a47 s THR 457 Ca 0.12 -1.19 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 1a47 s THR 457 Cb -0.11 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 1a47 s THR 457 CO 0.02 -0.24 1.17 -0.62 -0.54 0.00 0.00 174.62 174.41 1a47 s ASP 458 N -4.01 7.08 0.42 3.99 2.15 -1.24 -4.53 116.67 120.53 1a47 s ASP 458 Ca 0.39 1.79 0.15 0.00 0.43 0.00 0.00 52.55 55.31 1a47 s ASP 458 Cb -0.08 -2.56 0.92 0.00 -0.30 0.00 0.00 42.92 40.90 1a47 s ASP 458 CO 0.28 -0.55 1.92 0.58 -0.17 0.00 0.00 175.17 177.23 1a47 h VAL 459 N 4.98 1.12 0.00 1.11 2.07 -0.95 -1.53 116.25 123.05 1a47 h VAL 459 Ca -0.35 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1a47 h VAL 459 Cb 1.17 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1a47 h VAL 459 CO 0.87 0.26 0.00 0.18 0.02 0.00 0.00 177.57 178.90 1a47 n LEU 460 N -4.13 0.00 -3.66 2.57 4.77 -1.26 -4.90 117.00 110.39 1a47 n LEU 460 Ca -0.02 0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.93 1a47 n LEU 460 Cb 0.32 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1a47 n LEU 460 CO 0.37 -0.04 0.18 0.61 -1.33 0.00 0.00 177.39 177.18 1a47 n GLY 461 N 0.83 -0.53 2.78 -0.72 0.00 -0.58 -1.21 105.19 105.76 1a47 n GLY 461 Ca 0.13 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1a47 n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a47 n GLY 462 N -1.86 0.39 0.30 -0.02 0.00 -1.25 -4.88 105.19 97.87 1a47 n GLY 462 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1a47 n GLY 462 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a47 h LEU 463 N 0.00 0.19 -3.89 0.99 5.85 -1.47 0.03 115.31 117.01 1a47 h LEU 463 Ca 0.00 0.16 -0.62 0.00 0.84 0.00 0.00 57.88 58.26 1a47 h LEU 463 Cb 0.27 0.17 -0.35 0.00 0.37 0.00 0.00 40.66 41.13 1a47 h LEU 463 CO 0.00 -0.03 0.16 0.18 -0.34 0.00 0.00 178.44 178.41 1a47 n LEU 464 N -5.10 6.50 -1.23 2.25 4.77 -1.26 -4.88 117.00 118.05 1a47 n LEU 464 Ca 0.20 -4.47 -0.16 0.00 -0.03 0.00 0.00 56.01 51.55 1a47 n LEU 464 Cb 0.60 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1a47 n LEU 464 CO 0.12 1.73 -0.15 0.59 -1.33 0.00 0.00 177.39 178.35 1a47 n ASN 465 N -0.84 -4.87 -4.87 -1.43 4.13 -0.00 -1.63 115.26 105.74 1a47 n ASN 465 Ca 0.55 0.37 -0.30 0.00 1.68 0.00 0.00 54.58 56.87 1a47 n ASN 465 Cb 0.80 -3.76 0.03 0.00 -1.54 0.00 0.00 39.78 35.32 1a47 n ASN 465 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1a47 s GLY 466 N -2.81 1.64 0.09 7.41 0.00 -1.25 -4.78 107.32 107.62 1a47 s GLY 466 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.51 1a47 s GLY 466 CO 0.00 0.11 0.09 -2.01 0.00 0.00 0.00 173.10 171.29 1a47 n ASN 467 N -2.92 -0.25 -4.94 1.64 2.85 -1.26 -3.95 115.26 106.43 1a47 n ASN 467 Ca 0.07 -1.53 -0.24 0.00 -0.11 0.00 0.00 54.58 52.77 1a47 n ASN 467 Cb 0.56 0.52 -0.01 0.00 1.24 0.00 0.00 39.78 42.09 1a47 n ASN 467 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1a47 s SER 468 N -1.58 6.20 0.23 1.20 1.04 -1.26 -3.68 113.70 115.85 1a47 s SER 468 Ca 0.09 0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.97 1a47 s SER 468 Cb 0.00 -1.94 -0.05 0.00 0.10 0.00 0.00 66.02 64.13 1a47 s SER 468 CO 0.06 -0.39 0.09 0.27 0.98 0.00 0.00 173.24 174.26 1a47 s ILE 469 N -2.39 0.38 -0.12 -1.02 -4.36 0.14 -4.97 121.20 108.87 1a47 s ILE 469 Ca 0.42 -1.99 -0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1a47 s ILE 469 Cb -0.10 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.12 1a47 s ILE 469 CO 0.37 -0.07 -0.09 -0.44 0.24 0.00 0.00 174.94 174.95 1a47 s SER 470 N -3.24 2.23 -0.18 4.36 0.01 -1.26 0.02 113.70 115.64 1a47 s SER 470 Ca 0.36 -0.33 -0.09 0.00 1.31 0.00 0.00 55.95 57.20 1a47 s SER 470 Cb 0.07 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.37 1a47 s SER 470 CO 0.12 -0.10 0.12 -0.69 0.41 0.00 0.00 173.24 173.09 1a47 s VAL 471 N 1.63 5.29 0.71 3.43 1.01 0.13 -1.69 120.40 130.92 1a47 s VAL 471 Ca 0.04 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 1a47 s VAL 471 Cb -0.13 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 32.92 1a47 s VAL 471 CO -0.08 0.48 1.04 0.00 0.00 0.00 0.00 175.10 176.54 1a47 s ALA 472 N 0.11 3.07 0.57 5.51 0.00 0.15 -1.13 121.76 130.04 1a47 s ALA 472 Ca 0.08 -0.83 0.27 0.00 0.00 0.00 0.00 51.96 51.48 1a47 s ALA 472 Cb -0.11 -2.68 1.56 0.00 0.00 0.00 0.00 23.12 21.88 1a47 s ALA 472 CO -0.01 -1.32 2.06 1.03 0.00 0.00 0.00 175.76 177.52 1a47 h SER 473 N -0.65 0.00 -0.53 0.00 0.87 -1.95 0.24 113.55 111.52 1a47 h SER 473 Ca -0.45 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 1a47 h SER 473 Cb 1.31 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 1a47 h SER 473 CO 0.62 0.00 0.05 -0.90 -0.53 0.00 0.00 176.83 176.07 1a47 n ASP 474 N -3.94 4.95 -0.21 6.23 5.75 -1.26 -4.85 116.55 123.22 1a47 n ASP 474 Ca 0.04 -2.86 -0.03 0.00 -0.01 0.00 0.00 54.79 51.93 1a47 n ASP 474 Cb 0.41 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.81 1a47 n ASP 474 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a47 n GLY 475 N 0.40 0.46 3.79 6.12 0.00 0.07 -4.86 105.19 111.17 1a47 n GLY 475 Ca 0.27 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1a47 n GLY 475 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a47 s SER 476 N -2.20 7.23 -0.14 1.61 1.04 -1.25 0.22 113.70 120.21 1a47 s SER 476 Ca 0.00 1.53 -0.05 0.00 0.48 0.00 0.00 55.95 57.92 1a47 s SER 476 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 1a47 s SER 476 CO 0.00 0.13 0.03 -0.69 0.98 0.00 0.00 173.24 173.69 1a47 s VAL 477 N -1.31 4.48 0.20 5.02 1.01 -0.48 0.31 120.40 129.64 1a47 s VAL 477 Ca 0.39 -0.16 -0.32 0.00 0.00 0.00 0.00 61.98 61.89 1a47 s VAL 477 Cb -0.20 -2.96 -0.12 0.00 0.00 0.00 0.00 36.38 33.10 1a47 s VAL 477 CO 0.23 0.53 1.70 -0.89 0.00 0.00 0.00 175.10 176.67 1a47 s THR 478 N -0.13 2.12 0.21 3.92 2.01 -0.68 -4.59 115.64 118.49 1a47 s THR 478 Ca 0.05 0.09 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 1a47 s THR 478 Cb -0.12 -3.05 -0.15 0.00 0.01 0.00 0.00 72.50 69.18 1a47 s THR 478 CO 0.02 0.01 1.10 -2.65 -0.69 0.00 0.00 174.62 172.40 1a47 n PRO 479 N 3.94 1.18 -3.91 4.92 -0.02 -1.26 -4.78 135.00 135.06 1a47 n PRO 479 Ca 0.15 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1a47 n PRO 479 Cb 0.36 -1.86 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 1a47 n PRO 479 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1a47 s PHE 480 N -0.46 0.28 -0.20 6.00 -0.71 -0.87 -4.98 117.98 117.04 1a47 s PHE 480 Ca 0.69 -0.67 -0.13 0.00 -1.04 0.00 0.00 56.93 55.78 1a47 s PHE 480 Cb -0.81 -0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 40.90 1a47 s PHE 480 CO 0.54 -0.65 0.26 0.99 -1.34 0.00 0.00 175.22 175.02 1a47 s THR 481 N -3.92 5.31 -0.90 -4.49 2.01 -1.26 0.13 115.64 112.52 1a47 s THR 481 Ca 0.12 0.44 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 1a47 s THR 481 Cb 0.04 -3.60 0.22 0.00 0.01 0.00 0.00 72.50 69.17 1a47 s THR 481 CO -0.05 0.35 0.90 -0.22 -0.69 0.00 0.00 174.62 174.92 1a47 s LEU 482 N 0.79 6.40 0.97 4.42 2.96 0.15 -4.93 118.68 129.44 1a47 s LEU 482 Ca 0.13 -2.77 -0.13 0.00 -0.22 0.00 0.00 54.13 51.15 1a47 s LEU 482 Cb -0.13 -2.24 0.07 0.00 0.50 0.00 0.00 46.19 44.39 1a47 s LEU 482 CO 0.04 -0.60 0.53 -1.54 -1.32 0.00 0.00 176.35 173.46 1a47 n SER 483 N 4.17 -1.63 -4.73 3.68 3.41 -1.26 -1.66 113.62 115.60 1a47 n SER 483 Ca 0.18 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.65 1a47 n SER 483 Cb 0.46 -1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.16 1a47 n SER 483 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a47 n ALA 484 N -3.85 2.11 -1.28 7.33 0.00 -1.26 -1.80 120.51 121.76 1a47 n ALA 484 Ca 0.07 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 1a47 n ALA 484 Cb 0.54 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1a47 n ALA 484 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a47 n GLY 485 N 1.57 0.95 3.76 0.00 0.00 0.59 -4.90 105.19 107.16 1a47 n GLY 485 Ca 0.07 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1a47 n GLY 485 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a47 s GLU 486 N -2.78 4.57 -0.10 1.61 2.12 -0.74 -4.83 118.70 118.54 1a47 s GLU 486 Ca 0.00 1.87 -0.02 0.00 0.36 0.00 0.00 54.97 57.18 1a47 s GLU 486 Cb 0.00 -3.14 0.04 0.00 0.26 0.00 0.00 34.13 31.29 1a47 s GLU 486 CO 0.00 0.12 0.00 0.08 -0.54 0.00 0.00 175.26 174.93 1a47 s VAL 487 N -1.18 0.46 0.04 3.70 1.01 -0.65 -1.82 120.40 121.96 1a47 s VAL 487 Ca 0.46 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.44 1a47 s VAL 487 Cb -0.33 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1a47 s VAL 487 CO 0.43 0.16 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 1a47 s ALA 488 N 1.93 1.63 -0.14 5.51 0.00 -0.41 -3.87 121.76 126.41 1a47 s ALA 488 Ca 0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 1a47 s ALA 488 Cb -0.13 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.72 1a47 s ALA 488 CO -0.06 0.36 0.00 0.08 0.00 0.00 0.00 175.76 176.14 1a47 s VAL 489 N -0.79 0.59 0.01 0.00 1.01 -1.26 -1.27 120.40 118.68 1a47 s VAL 489 Ca 0.06 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1a47 s VAL 489 Cb -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1a47 s VAL 489 CO 0.02 0.05 -0.16 0.26 0.00 0.00 0.00 175.10 175.26 1a47 s TRP 490 N 1.86 2.61 0.13 5.22 0.51 0.18 -0.19 118.94 129.26 1a47 s TRP 490 Ca 0.02 -0.22 -0.08 0.00 -2.12 0.00 0.00 56.10 53.70 1a47 s TRP 490 Cb -0.15 -1.53 -0.01 0.00 -0.81 0.00 0.00 33.47 30.97 1a47 s TRP 490 CO -0.07 0.22 0.23 1.14 -0.51 0.00 0.00 176.95 177.96 1a47 s GLN 491 N -1.16 1.02 -0.22 4.98 -2.07 -1.26 0.26 119.66 121.20 1a47 s GLN 491 Ca 0.14 -1.12 -0.03 0.00 -1.82 0.00 0.00 55.36 52.52 1a47 s GLN 491 Cb -0.11 0.35 0.10 0.00 -1.09 0.00 0.00 33.01 32.26 1a47 s GLN 491 CO 0.04 -0.35 0.22 -0.47 -1.32 0.00 0.00 175.29 173.41 1a47 s TYR 492 N -3.94 -0.24 -0.39 9.60 5.04 0.48 -4.98 117.35 122.93 1a47 s TYR 492 Ca 0.13 0.06 -0.17 0.00 -2.44 0.00 0.00 57.07 54.65 1a47 s TYR 492 Cb 0.04 -0.43 0.01 0.00 0.35 0.00 0.00 41.96 41.93 1a47 s TYR 492 CO -0.04 -0.66 0.45 0.08 -1.34 0.00 0.00 175.55 174.03 1a47 s VAL 493 N 2.31 5.08 0.59 3.14 1.01 -1.26 -0.51 120.40 130.75 1a47 s VAL 493 Ca 0.07 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 1a47 s VAL 493 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1a47 s VAL 493 CO -0.17 -0.33 1.26 -0.24 0.00 0.00 0.00 175.10 175.61 1a47 n SER 494 N 5.62 2.09 0.06 3.32 2.88 -1.26 -4.93 113.62 121.40 1a47 n SER 494 Ca -0.07 0.90 0.01 0.00 -1.33 0.00 0.00 58.87 58.38 1a47 n SER 494 Cb 0.48 -1.53 -0.05 0.00 -0.75 0.00 0.00 64.21 62.36 1a47 n SER 494 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1a47 h SER 495 N 0.94 0.00 -3.68 -3.46 4.64 -1.98 -3.46 113.55 106.56 1a47 h SER 495 Ca -0.50 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.46 1a47 h SER 495 Cb 1.33 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.11 1a47 h SER 495 CO 0.54 0.52 -0.76 -0.94 -0.87 0.00 0.00 176.83 175.32 1a47 s SER 496 N -5.92 0.69 0.17 4.97 1.04 -1.26 -5.15 113.70 108.24 1a47 s SER 496 Ca -0.01 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.40 1a47 s SER 496 Cb 0.08 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1a47 s SER 496 CO 0.79 -0.01 -0.16 0.20 0.98 0.00 0.00 173.24 175.05 1a47 s ASN 497 N 0.45 2.45 0.49 7.02 0.01 -1.26 -4.93 114.94 119.17 1a47 s ASN 497 Ca -0.05 -0.90 0.05 0.00 -0.71 0.00 0.00 52.86 51.24 1a47 s ASN 497 Cb -0.09 -0.12 0.03 0.00 0.41 0.00 0.00 41.25 41.48 1a47 s ASN 497 CO -0.00 -0.11 0.68 -0.94 -1.51 0.00 0.00 177.10 175.22 1a47 s SER 498 N -2.83 5.42 -0.29 -1.22 1.04 -1.26 -4.48 113.70 110.08 1a47 s SER 498 Ca 0.16 -0.25 -0.34 0.00 0.48 0.00 0.00 55.95 56.00 1a47 s SER 498 Cb -0.04 -0.70 -0.10 0.00 0.10 0.00 0.00 66.02 65.29 1a47 s SER 498 CO 0.06 -0.99 2.15 -2.65 0.98 0.00 0.00 173.24 172.79 1a47 n PRO 499 N -2.12 1.41 -3.77 4.02 -0.02 -1.10 -4.17 135.00 129.25 1a47 n PRO 499 Ca 0.09 0.41 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 1a47 n PRO 499 Cb 0.59 -2.66 -0.17 0.00 -0.02 0.00 0.00 33.50 31.25 1a47 n PRO 499 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a47 s LEU 500 N 7.11 1.19 -0.25 2.45 1.43 0.20 -3.75 118.68 127.07 1a47 s LEU 500 Ca 1.05 -0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 53.20 1a47 s LEU 500 Cb -0.72 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1a47 s LEU 500 CO 0.46 -0.27 0.89 -0.63 0.23 0.00 0.00 176.35 177.04 1a47 s ILE 501 N 1.83 4.78 -0.20 -0.59 1.01 -1.26 -0.79 121.20 125.97 1a47 s ILE 501 Ca 0.00 1.66 0.11 0.00 0.00 0.00 0.00 60.65 62.42 1a47 s ILE 501 Cb -0.16 -4.18 -0.20 0.00 0.01 0.00 0.00 42.46 37.93 1a47 s ILE 501 CO -0.07 -0.14 -0.03 0.61 0.00 0.00 0.00 174.94 175.31 1a47 n GLY 502 N 3.69 -0.70 3.27 6.18 0.00 0.11 -4.95 105.19 112.79 1a47 n GLY 502 Ca 0.07 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1a47 n GLY 502 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a47 s HIS 503 N -2.45 -0.14 -0.10 1.61 5.65 0.55 -4.85 115.29 115.56 1a47 s HIS 503 Ca -0.17 0.02 -0.05 0.00 0.25 0.00 0.00 55.06 55.11 1a47 s HIS 503 Cb 0.06 0.13 0.05 0.00 -1.18 0.00 0.00 32.58 31.64 1a47 s HIS 503 CO 0.68 -0.53 0.22 0.08 -0.65 0.00 0.00 174.74 174.54 1a47 s VAL 504 N -2.59 -0.11 -0.10 0.89 1.01 -1.26 -0.79 120.40 117.46 1a47 s VAL 504 Ca -0.05 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1a47 s VAL 504 Cb -0.01 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 36.06 1a47 s VAL 504 CO -0.03 0.08 0.41 -0.83 0.00 0.00 0.00 175.10 174.72 1a47 s GLY 505 N 1.46 -0.29 0.90 4.51 0.00 -0.93 -4.42 107.32 108.55 1a47 s GLY 505 Ca -0.07 0.90 -0.14 0.00 0.00 0.00 0.00 44.72 45.41 1a47 s GLY 505 CO -0.08 0.70 1.26 -4.14 0.00 0.00 0.00 173.10 170.84 1a47 s PRO 506 N -0.46 1.15 0.00 2.90 0.02 -1.26 0.08 135.00 137.43 1a47 s PRO 506 Ca -0.06 -0.26 0.24 0.00 0.02 0.00 0.00 61.00 60.95 1a47 s PRO 506 Cb -0.03 -1.91 0.35 0.00 0.02 0.00 0.00 34.50 32.93 1a47 s PRO 506 CO 0.03 -2.08 1.31 0.25 -0.33 0.00 0.00 177.00 176.18 1a47 n THR 507 N -3.57 0.00 -3.90 0.99 -2.24 -1.26 -4.75 114.28 99.56 1a47 n THR 507 Ca 0.13 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 1a47 n THR 507 Cb 0.60 0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 69.48 1a47 n THR 507 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1a47 s MET 508 N -2.54 1.36 0.17 -0.78 -2.45 -1.26 0.23 119.30 114.03 1a47 s MET 508 Ca 0.20 -1.09 0.02 0.00 -1.25 0.00 0.00 55.69 53.57 1a47 s MET 508 Cb 0.18 -2.53 -0.01 0.00 1.25 0.00 0.00 34.83 33.72 1a47 s MET 508 CO 0.57 -0.72 0.07 0.25 1.05 0.00 0.00 175.02 176.24 1a47 n THR 509 N 4.67 0.00 -3.93 10.11 -2.24 0.35 -5.00 114.28 118.23 1a47 n THR 509 Ca -0.08 -1.04 -0.10 0.00 -2.27 0.00 0.00 64.05 60.57 1a47 n THR 509 Cb 0.44 0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1a47 n THR 509 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a47 s LYS 510 N -2.66 0.50 0.21 -0.78 1.02 -1.26 -0.45 119.74 116.32 1a47 s LYS 510 Ca 0.10 -0.66 -0.32 0.00 0.02 0.00 0.00 55.97 55.11 1a47 s LYS 510 Cb 0.00 0.20 -0.14 0.00 -0.52 0.00 0.00 37.83 37.38 1a47 s LYS 510 CO 0.07 -0.12 1.47 0.00 -0.92 0.00 0.00 175.35 175.86 1a47 n ALA 511 N 1.08 1.21 0.00 5.17 0.00 -1.26 -1.54 120.51 125.17 1a47 n ALA 511 Ca -0.21 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1a47 n ALA 511 Cb 0.57 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1a47 n ALA 511 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a47 n GLY 512 N 2.62 3.07 3.70 0.00 0.00 0.44 -4.96 105.19 110.05 1a47 n GLY 512 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1a47 n GLY 512 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a47 s GLN 513 N -0.52 -0.51 -0.09 1.61 -0.21 -0.59 -4.57 119.66 114.79 1a47 s GLN 513 Ca 0.00 -0.11 0.03 0.00 0.02 0.00 0.00 55.36 55.30 1a47 s GLN 513 Cb 0.00 -1.68 0.00 0.00 1.00 0.00 0.00 33.01 32.33 1a47 s GLN 513 CO 0.00 -3.23 -0.20 0.99 -2.12 0.00 0.00 175.29 170.73 1a47 s THR 514 N -3.26 1.76 0.11 -0.19 2.01 -1.26 0.09 115.64 114.90 1a47 s THR 514 Ca 0.71 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1a47 s THR 514 Cb -0.09 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1a47 s THR 514 CO 0.55 0.49 -0.13 0.27 -0.69 0.00 0.00 174.62 175.11 1a47 s ILE 515 N 0.47 3.15 -0.23 1.82 -4.36 0.04 -4.69 121.20 117.41 1a47 s ILE 515 Ca -0.17 -1.36 -0.05 0.00 -0.26 0.00 0.00 60.65 58.81 1a47 s ILE 515 Cb -0.17 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 1a47 s ILE 515 CO 0.07 0.11 -0.00 -0.89 0.24 0.00 0.00 174.94 174.47 1a47 s THR 516 N -1.18 3.76 -0.31 8.37 2.01 0.11 -1.68 115.64 126.73 1a47 s THR 516 Ca 0.20 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1a47 s THR 516 Cb -0.11 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1a47 s THR 516 CO 0.12 0.40 0.19 -0.63 -0.69 0.00 0.00 174.62 174.00 1a47 s ILE 517 N 1.45 5.03 -0.10 1.82 1.01 0.66 -2.20 121.20 128.87 1a47 s ILE 517 Ca 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 1a47 s ILE 517 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1a47 s ILE 517 CO -0.00 0.12 -0.08 -1.81 0.00 0.00 0.00 174.94 173.17 1a47 s ASP 518 N 1.70 4.54 0.00 3.58 1.01 0.03 -0.94 116.67 126.59 1a47 s ASP 518 Ca 0.06 -0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.21 1a47 s ASP 518 Cb -0.17 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 42.39 1a47 s ASP 518 CO 0.09 0.28 0.00 0.61 0.21 0.00 0.00 175.17 176.36 1a47 n GLY 519 N 2.78 1.41 3.06 0.21 0.00 -0.85 0.04 105.19 111.84 1a47 n GLY 519 Ca -0.18 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1a47 n GLY 519 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a47 s ARG 520 N 3.47 0.31 -0.68 1.61 1.81 0.03 -4.46 118.95 121.04 1a47 s ARG 520 Ca 0.00 -0.10 -0.02 0.00 -1.72 0.00 0.00 55.73 53.89 1a47 s ARG 520 Cb 0.00 0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 1a47 s ARG 520 CO 0.00 -0.06 0.58 0.41 -0.68 0.00 0.00 175.30 175.55 1a47 n GLY 521 N 2.26 0.06 0.12 -3.53 0.00 -1.06 -0.63 105.19 102.41 1a47 n GLY 521 Ca -0.18 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1a47 n GLY 521 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a47 h PHE 522 N -1.19 0.00 0.00 1.61 0.04 -1.25 -2.91 116.94 113.24 1a47 h PHE 522 Ca -0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1a47 h PHE 522 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1a47 h PHE 522 CO 0.25 0.23 0.00 0.41 -0.60 0.00 0.00 178.31 178.60 1a47 n GLY 523 N 1.24 0.73 0.09 -1.45 0.00 -1.26 -4.61 105.19 99.93 1a47 n GLY 523 Ca -0.02 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1a47 n GLY 523 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a47 n THR 524 N 0.92 0.68 -3.66 2.61 -2.24 -1.26 -2.24 114.28 109.09 1a47 n THR 524 Ca 0.00 -0.59 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 1a47 n THR 524 Cb 0.00 -0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 67.78 1a47 n THR 524 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a47 s THR 525 N -3.24 5.36 0.28 4.28 -4.23 -1.26 -4.76 115.64 112.07 1a47 s THR 525 Ca -0.03 0.36 -0.27 0.00 -1.18 0.00 0.00 61.69 60.58 1a47 s THR 525 Cb 0.10 -3.54 -0.15 0.00 1.34 0.00 0.00 72.50 70.25 1a47 s THR 525 CO 0.82 0.45 0.69 -0.24 -0.54 0.00 0.00 174.62 175.80 1a47 n SER 526 N 3.27 -0.31 0.00 3.99 2.88 -1.26 -4.26 113.62 117.92 1a47 n SER 526 Ca -0.15 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1a47 n SER 526 Cb 0.52 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1a47 n SER 526 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a47 n GLY 527 N 1.69 1.72 3.63 0.46 0.00 -1.26 -4.22 105.19 107.21 1a47 n GLY 527 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1a47 n GLY 527 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a47 s GLN 528 N 2.19 0.59 -0.15 1.61 0.74 0.07 -4.87 119.66 119.84 1a47 s GLN 528 Ca 0.00 1.09 -0.04 0.00 0.05 0.00 0.00 55.36 56.47 1a47 s GLN 528 Cb 0.00 0.23 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 1a47 s GLN 528 CO 0.00 -0.14 -0.03 0.08 -0.55 0.00 0.00 175.29 174.65 1a47 s VAL 529 N 1.76 3.96 -0.10 1.34 1.01 -1.26 -0.23 120.40 126.88 1a47 s VAL 529 Ca -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1a47 s VAL 529 Cb -0.06 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1a47 s VAL 529 CO -0.18 0.50 -0.15 -0.76 0.00 0.00 0.00 175.10 174.51 1a47 s LEU 530 N 0.27 1.71 -1.18 3.92 1.43 -0.50 -1.10 118.68 123.22 1a47 s LEU 530 Ca -0.03 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1a47 s LEU 530 Cb -0.14 -1.07 0.19 0.00 0.03 0.00 0.00 46.19 45.20 1a47 s LEU 530 CO 0.03 0.02 1.37 -0.36 0.23 0.00 0.00 176.35 177.64 1a47 s PHE 531 N 0.96 3.61 0.00 0.29 0.40 0.13 -2.52 117.98 120.85 1a47 s PHE 531 Ca -0.07 -2.20 0.00 0.00 -0.60 0.00 0.00 56.93 54.06 1a47 s PHE 531 Cb -0.15 -4.24 0.00 0.00 0.51 0.00 0.00 43.02 39.14 1a47 s PHE 531 CO -0.01 -1.33 0.00 0.41 0.70 0.00 0.00 175.22 174.99 1a47 n GLY 532 N 3.93 1.65 0.00 4.36 0.00 -0.74 -3.20 105.19 111.19 1a47 n GLY 532 Ca 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1a47 n GLY 532 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a47 n SER 533 N 4.37 0.03 -4.64 1.61 3.41 -1.26 -4.96 113.62 112.19 1a47 n SER 533 Ca 0.00 -0.27 -0.40 0.00 -0.26 0.00 0.00 58.87 57.95 1a47 n SER 533 Cb 0.00 0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1a47 n SER 533 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a47 s THR 534 N -0.12 5.08 0.40 6.66 2.01 -1.20 -5.03 115.64 123.45 1a47 s THR 534 Ca 0.00 0.92 -0.23 0.00 0.31 0.00 0.00 61.69 62.69 1a47 s THR 534 Cb 0.00 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 1a47 s THR 534 CO 0.00 0.12 0.98 0.00 -0.69 0.00 0.00 174.62 175.03 1a47 s ALA 535 N 2.03 3.08 0.53 7.40 0.00 -1.26 0.20 121.76 133.74 1a47 s ALA 535 Ca 0.23 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1a47 s ALA 535 Cb -0.15 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.82 1a47 s ALA 535 CO 0.09 0.03 0.63 0.20 0.00 0.00 0.00 175.76 176.70 1a47 s GLY 536 N -1.86 1.95 -0.25 0.00 0.00 -0.25 -4.76 107.32 102.14 1a47 s GLY 536 Ca 0.58 -1.85 -0.17 0.00 0.00 0.00 0.00 44.72 43.28 1a47 s GLY 536 CO 0.20 -1.72 0.46 -1.59 0.00 0.00 0.00 173.10 170.45 1a47 s THR 537 N -2.63 5.11 -0.05 0.90 2.01 -1.10 -4.73 115.64 115.15 1a47 s THR 537 Ca 0.53 0.78 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 1a47 s THR 537 Cb -0.05 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1a47 s THR 537 CO 0.33 0.13 1.33 -0.63 -0.69 0.00 0.00 174.62 175.09 1a47 s ILE 538 N 2.09 3.98 -0.15 1.82 -1.09 -1.26 -0.13 121.20 126.45 1a47 s ILE 538 Ca 0.19 1.30 0.18 0.00 -2.23 0.00 0.00 60.65 60.10 1a47 s ILE 538 Cb -0.16 -3.84 -0.25 0.00 -1.58 0.00 0.00 42.46 36.63 1a47 s ILE 538 CO 0.09 -0.03 0.25 0.52 -1.23 0.00 0.00 174.94 174.54 1a47 n VAL 539 N 4.82 1.20 -3.64 2.92 0.31 0.14 -4.93 118.33 119.16 1a47 n VAL 539 Ca 0.13 -0.79 -0.09 0.00 -0.01 0.00 0.00 64.34 63.58 1a47 n VAL 539 Cb 0.45 -0.48 -0.07 0.00 -0.91 0.00 0.00 33.84 32.83 1a47 n VAL 539 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1a47 s SER 540 N -5.44 -0.48 -0.07 4.52 1.04 -0.94 -4.94 113.70 107.39 1a47 s SER 540 Ca -0.09 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1a47 s SER 540 Cb 0.08 0.95 0.02 0.00 0.10 0.00 0.00 66.02 67.17 1a47 s SER 540 CO 0.84 -0.16 -0.05 0.86 0.98 0.00 0.00 173.24 175.71 1a47 s TRP 541 N 0.35 0.96 0.23 5.02 -0.11 -1.26 -0.89 118.94 123.25 1a47 s TRP 541 Ca 0.02 -0.34 0.00 0.00 1.22 0.00 0.00 56.10 57.00 1a47 s TRP 541 Cb -0.05 -0.86 -0.04 0.00 -1.50 0.00 0.00 33.47 31.02 1a47 s TRP 541 CO -0.07 -0.30 0.12 -0.51 -4.62 0.00 0.00 176.95 171.58 1a47 s ASP 542 N 1.30 0.69 0.34 5.86 1.01 0.69 -4.84 116.67 121.72 1a47 s ASP 542 Ca -0.04 -1.41 0.09 0.00 0.71 0.00 0.00 52.55 51.90 1a47 s ASP 542 Cb -0.14 0.30 0.60 0.00 1.01 0.00 0.00 42.92 44.70 1a47 s ASP 542 CO -0.02 -0.81 1.79 -0.78 0.21 0.00 0.00 175.17 175.55 1a47 h ASP 543 N 2.49 0.17 -0.00 0.27 3.58 -1.79 -3.25 116.42 117.89 1a47 h ASP 543 Ca -0.36 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1a47 h ASP 543 Cb 1.25 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1a47 h ASP 543 CO 0.55 0.50 -0.30 0.35 -2.88 0.00 0.00 179.24 177.47 1a47 n THR 544 N -4.10 0.00 -3.81 2.25 -2.24 -1.26 -0.88 114.28 104.23 1a47 n THR 544 Ca -0.01 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1a47 n THR 544 Cb 0.41 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 1a47 n THR 544 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a47 s GLU 545 N -1.56 0.31 -0.04 -0.78 2.12 -1.23 -2.01 118.70 115.51 1a47 s GLU 545 Ca 0.05 0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.52 1a47 s GLU 545 Cb 0.06 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.63 1a47 s GLU 545 CO 0.29 -0.05 0.07 0.08 -0.54 0.00 0.00 175.26 175.10 1a47 s VAL 546 N -0.19 -0.12 -0.24 3.70 1.01 -0.11 -0.22 120.40 124.22 1a47 s VAL 546 Ca -0.03 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.26 1a47 s VAL 546 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1a47 s VAL 546 CO 0.01 0.17 0.13 -0.54 0.00 0.00 0.00 175.10 174.87 1a47 s LYS 547 N 2.09 3.94 0.04 2.72 1.02 -0.06 -0.25 119.74 129.24 1a47 s LYS 547 Ca 0.04 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.72 1a47 s LYS 547 Cb -0.12 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 1a47 s LYS 547 CO -0.03 -0.02 -0.09 0.54 -0.92 0.00 0.00 175.35 174.83 1a47 s VAL 548 N 1.24 0.69 -0.14 3.17 0.11 -0.67 0.25 120.40 125.05 1a47 s VAL 548 Ca 0.06 -0.92 -0.20 0.00 -2.93 0.00 0.00 61.98 57.99 1a47 s VAL 548 Cb -0.14 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1a47 s VAL 548 CO 0.05 -0.19 0.59 -0.54 -3.33 0.00 0.00 175.10 171.68 1a47 s LYS 549 N -1.22 4.31 0.20 1.54 1.02 0.82 -0.78 119.74 125.63 1a47 s LYS 549 Ca -0.04 0.61 -0.32 0.00 0.02 0.00 0.00 55.97 56.24 1a47 s LYS 549 Cb -0.08 -3.50 -0.11 0.00 -0.52 0.00 0.00 37.83 33.62 1a47 s LYS 549 CO 0.01 -0.03 1.68 0.08 -0.92 0.00 0.00 175.35 176.17 1a47 s VAL 550 N 1.19 2.18 0.74 3.17 1.01 0.11 -2.73 120.40 126.08 1a47 s VAL 550 Ca 0.30 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 1a47 s VAL 550 Cb -0.16 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.17 1a47 s VAL 550 CO 0.12 0.01 1.08 -2.16 0.00 0.00 0.00 175.10 174.15 1a47 s PRO 551 N 1.10 2.58 -1.02 2.72 0.04 -1.26 -0.42 135.00 138.73 1a47 s PRO 551 Ca 0.73 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 1a47 s PRO 551 Cb -0.48 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 1a47 s PRO 551 CO 0.32 -1.29 3.05 0.43 0.04 0.00 0.00 177.00 179.55 1a47 n SER 552 N -3.22 7.47 -4.92 6.66 7.64 -1.26 -4.46 113.62 121.54 1a47 n SER 552 Ca 0.07 -2.69 -0.27 0.00 1.01 0.00 0.00 58.87 56.99 1a47 n SER 552 Cb 0.55 -1.46 0.05 0.00 -1.01 0.00 0.00 64.21 62.34 1a47 n SER 552 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1a47 s VAL 553 N 0.93 3.13 0.08 0.44 -7.23 -1.26 -4.99 120.40 111.50 1a47 s VAL 553 Ca 0.66 -0.06 -0.32 0.00 -1.81 0.00 0.00 61.98 60.45 1a47 s VAL 553 Cb 0.24 -3.29 -0.11 0.00 0.56 0.00 0.00 36.38 33.78 1a47 s VAL 553 CO -0.06 -0.31 1.83 0.41 -0.31 0.00 0.00 175.10 176.66 1a47 n THR 554 N -2.74 0.40 -1.64 5.32 -1.04 -1.26 -4.86 114.28 108.46 1a47 n THR 554 Ca 0.06 -0.07 -0.48 0.00 -2.04 0.00 0.00 64.05 61.52 1a47 n THR 554 Cb 0.59 -2.02 -0.05 0.00 -1.82 0.00 0.00 70.33 67.03 1a47 n THR 554 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1a47 n PRO 555 N 5.74 1.80 -3.89 -2.82 -0.02 -1.26 -4.85 135.00 129.70 1a47 n PRO 555 Ca 0.19 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1a47 n PRO 555 Cb 0.35 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1a47 n PRO 555 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a47 n GLY 556 N 2.98 -1.58 3.73 -1.23 0.00 0.13 -4.74 105.19 104.48 1a47 n GLY 556 Ca 0.17 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1a47 n GLY 556 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a47 s LYS 557 N -1.81 4.65 0.15 1.61 1.02 -1.26 -0.51 119.74 123.59 1a47 s LYS 557 Ca 0.00 1.36 0.06 0.00 0.02 0.00 0.00 55.97 57.41 1a47 s LYS 557 Cb 0.00 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1a47 s LYS 557 CO 0.00 0.23 -0.14 0.71 -0.92 0.00 0.00 175.35 175.23 1a47 s TYR 558 N -0.02 1.51 -0.22 3.18 1.51 0.75 -4.88 117.35 119.17 1a47 s TYR 558 Ca 0.45 -0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 1a47 s TYR 558 Cb -0.23 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1a47 s TYR 558 CO 0.28 0.21 0.02 -0.80 -1.11 0.00 0.00 175.55 174.16 1a47 s ASN 559 N -2.81 4.90 0.04 2.29 -0.87 -1.26 -0.89 114.94 116.33 1a47 s ASN 559 Ca 0.14 -0.22 -0.19 0.00 -1.57 0.00 0.00 52.86 51.02 1a47 s ASN 559 Cb -0.03 -1.86 -0.06 0.00 -0.02 0.00 0.00 41.25 39.29 1a47 s ASN 559 CO 0.04 0.02 0.57 -0.63 -2.57 0.00 0.00 177.10 174.53 1a47 s ILE 560 N 1.27 4.82 0.00 0.60 -1.09 0.14 -1.79 121.20 125.14 1a47 s ILE 560 Ca 0.04 1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 59.62 1a47 s ILE 560 Cb -0.15 -3.90 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1a47 s ILE 560 CO 0.02 0.50 0.07 -0.94 -1.23 0.00 0.00 174.94 173.37 1a47 s SER 561 N -0.75 0.07 0.19 3.58 1.04 -1.05 0.12 113.70 116.90 1a47 s SER 561 Ca 0.29 -0.22 0.10 0.00 0.48 0.00 0.00 55.95 56.60 1a47 s SER 561 Cb -0.19 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1a47 s SER 561 CO 0.18 -0.28 -0.13 -0.22 0.98 0.00 0.00 173.24 173.77 1a47 s LEU 562 N -1.10 2.85 -0.26 2.42 0.20 -1.26 -1.41 118.68 120.11 1a47 s LEU 562 Ca -0.12 -0.65 -0.03 0.00 0.69 0.00 0.00 54.13 54.02 1a47 s LEU 562 Cb -0.07 -1.54 0.11 0.00 -0.43 0.00 0.00 46.19 44.27 1a47 s LEU 562 CO 0.00 0.10 0.22 -0.75 -0.29 0.00 0.00 176.35 175.64 1a47 s LYS 563 N -2.82 0.24 0.91 1.98 2.20 0.68 -0.83 119.74 122.10 1a47 s LYS 563 Ca 0.24 -0.16 -0.13 0.00 -0.36 0.00 0.00 55.97 55.57 1a47 s LYS 563 Cb -0.08 -1.00 0.05 0.00 -1.51 0.00 0.00 37.83 35.28 1a47 s LYS 563 CO 0.14 -0.91 0.58 0.25 -0.36 0.00 0.00 175.35 175.05 1a47 n THR 564 N 5.29 0.32 0.33 3.43 -2.24 -0.50 -0.75 114.28 120.16 1a47 n THR 564 Ca -0.04 -0.18 0.21 0.00 -2.27 0.00 0.00 64.05 61.76 1a47 n THR 564 Cb 0.46 -0.73 1.12 0.00 -2.10 0.00 0.00 70.33 69.08 1a47 n THR 564 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a47 h SER 565 N -1.45 0.00 0.21 3.42 4.64 -1.74 0.15 113.55 118.79 1a47 h SER 565 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1a47 h SER 565 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1a47 h SER 565 CO 0.37 0.01 -0.04 -1.54 -0.87 0.00 0.00 176.83 174.75 1a47 n SER 566 N -3.23 0.39 0.00 4.97 3.41 -1.26 -4.91 113.62 112.99 1a47 n SER 566 Ca -0.03 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1a47 n SER 566 Cb 0.10 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1a47 n SER 566 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a47 n GLY 567 N 1.17 0.66 3.69 5.00 0.00 0.04 -5.04 105.19 110.71 1a47 n GLY 567 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1a47 n GLY 567 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a47 s ALA 568 N -2.25 3.68 -0.16 4.61 0.00 -1.26 -4.77 121.76 121.62 1a47 s ALA 568 Ca 0.00 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 1a47 s ALA 568 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 1a47 s ALA 568 CO 0.00 -1.04 0.30 0.99 0.00 0.00 0.00 175.76 176.01 1a47 s THR 569 N 2.43 5.30 0.33 0.00 2.01 -1.26 -1.41 115.64 123.04 1a47 s THR 569 Ca 0.72 0.56 -0.06 0.00 0.31 0.00 0.00 61.69 63.23 1a47 s THR 569 Cb -0.39 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 68.56 1a47 s THR 569 CO 0.31 0.38 0.44 -1.54 -0.69 0.00 0.00 174.62 173.52 1a47 n SER 570 N 3.62 -0.04 -4.90 3.53 3.41 -0.01 -4.83 113.62 114.39 1a47 n SER 570 Ca -0.12 -1.14 -0.28 0.00 -0.26 0.00 0.00 58.87 57.08 1a47 n SER 570 Cb 0.52 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 64.14 1a47 n SER 570 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a47 s ASN 571 N -2.61 6.14 -0.04 4.04 4.22 -1.25 -4.69 114.94 120.76 1a47 s ASN 571 Ca 0.25 0.95 -0.11 0.00 -2.14 0.00 0.00 52.86 51.80 1a47 s ASN 571 Cb -0.01 -2.18 -0.05 0.00 1.28 0.00 0.00 41.25 40.29 1a47 s ASN 571 CO 0.18 -0.69 0.30 0.42 -2.04 0.00 0.00 177.10 175.27 1a47 s THR 572 N -2.83 5.22 -0.38 0.54 -4.23 -1.26 -4.42 115.64 108.28 1a47 s THR 572 Ca 0.49 0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 61.49 1a47 s THR 572 Cb -0.10 -3.59 0.06 0.00 1.34 0.00 0.00 72.50 70.20 1a47 s THR 572 CO 0.46 0.57 0.18 -0.47 -0.54 0.00 0.00 174.62 174.82 1a47 s TYR 573 N -1.08 3.31 0.37 3.99 5.04 0.12 -4.91 117.35 124.19 1a47 s TYR 573 Ca 0.21 -1.47 0.01 0.00 -2.44 0.00 0.00 57.07 53.38 1a47 s TYR 573 Cb -0.15 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.53 1a47 s TYR 573 CO 0.10 -0.78 0.57 -0.80 -1.34 0.00 0.00 175.55 173.30 1a47 s ASN 574 N 1.72 6.11 -0.51 4.32 0.01 -1.26 0.24 114.94 125.56 1a47 s ASN 574 Ca 0.01 0.31 -0.02 0.00 -0.71 0.00 0.00 52.86 52.46 1a47 s ASN 574 Cb -0.21 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.67 1a47 s ASN 574 CO 0.03 -0.43 0.44 0.59 -1.51 0.00 0.00 177.10 176.21 1a47 n ASN 575 N -1.85 -2.81 -4.65 -1.22 3.02 -0.95 -4.96 115.26 101.83 1a47 n ASN 575 Ca -0.03 -0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 1a47 n ASN 575 Cb 0.57 -2.36 -0.04 0.00 -0.61 0.00 0.00 39.78 37.34 1a47 n ASN 575 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a47 s ILE 576 N -3.14 4.84 -0.43 2.41 1.09 -0.07 -4.81 121.20 121.09 1a47 s ILE 576 Ca 0.11 1.63 -0.24 0.00 -1.10 0.00 0.00 60.65 61.05 1a47 s ILE 576 Cb -0.05 -4.14 0.02 0.00 -1.06 0.00 0.00 42.46 37.23 1a47 s ILE 576 CO 0.30 -0.05 0.83 0.21 -0.10 0.00 0.00 174.94 176.12 1a47 s ASN 577 N 1.27 6.48 -0.43 3.58 2.47 0.13 -0.18 114.94 128.27 1a47 s ASN 577 Ca 0.37 0.10 -0.15 0.00 0.42 0.00 0.00 52.86 53.60 1a47 s ASN 577 Cb -0.16 -2.41 0.04 0.00 -1.45 0.00 0.00 41.25 37.27 1a47 s ASN 577 CO 0.09 -0.90 0.33 -0.63 -3.72 0.00 0.00 177.10 172.27 1a47 s ILE 578 N 3.36 5.24 1.02 -5.21 1.01 0.33 -0.50 121.20 126.47 1a47 s ILE 578 Ca 0.32 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1a47 s ILE 578 Cb -0.12 -3.99 0.20 0.00 0.01 0.00 0.00 42.46 38.57 1a47 s ILE 578 CO 0.22 -0.39 1.16 -0.76 0.00 0.00 0.00 174.94 175.16 1a47 s LEU 579 N 1.67 1.66 0.04 2.97 1.43 0.41 0.22 118.68 127.08 1a47 s LEU 579 Ca 0.05 0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1a47 s LEU 579 Cb -0.21 -2.83 -0.27 0.00 0.03 0.00 0.00 46.19 42.92 1a47 s LEU 579 CO 0.09 -3.16 1.00 0.74 0.23 0.00 0.00 176.35 175.25 1a47 h THR 580 N -1.92 1.33 0.00 5.49 2.02 -1.93 -3.43 112.91 114.48 1a47 h THR 580 Ca -0.48 -2.97 0.00 0.00 0.77 0.00 0.00 66.41 63.73 1a47 h THR 580 Cb 1.30 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.53 1a47 h THR 580 CO 0.49 0.85 0.00 0.61 0.37 0.00 0.00 175.52 177.83 1a47 n GLY 581 N 1.57 -1.15 3.64 2.16 0.00 -1.26 -4.98 105.19 105.17 1a47 n GLY 581 Ca -0.11 -0.86 -0.48 0.00 0.00 0.00 0.00 46.02 44.56 1a47 n GLY 581 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a47 n ASN 582 N 0.55 2.51 -4.81 1.61 3.02 -1.26 -4.72 115.26 112.16 1a47 n ASN 582 Ca 0.00 1.10 -0.34 0.00 -0.03 0.00 0.00 54.58 55.31 1a47 n ASN 582 Cb 0.00 -1.34 -0.07 0.00 -0.61 0.00 0.00 39.78 37.76 1a47 n ASN 582 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1a47 s GLN 583 N 0.58 4.32 -0.01 3.52 -1.52 -1.26 0.24 119.66 125.54 1a47 s GLN 583 Ca 0.79 1.18 -0.02 0.00 -1.95 0.00 0.00 55.36 55.37 1a47 s GLN 583 Cb -0.77 -2.35 -0.00 0.00 -0.22 0.00 0.00 33.01 29.66 1a47 s GLN 583 CO 0.43 0.05 0.03 0.42 -0.25 0.00 0.00 175.29 175.97 1a47 s ILE 584 N -2.02 0.03 -0.44 1.08 -1.09 0.12 -4.74 121.20 114.14 1a47 s ILE 584 Ca 0.59 -0.21 -0.20 0.00 -2.23 0.00 0.00 60.65 58.60 1a47 s ILE 584 Cb -0.12 -0.12 0.03 0.00 -1.58 0.00 0.00 42.46 40.66 1a47 s ILE 584 CO 0.16 -0.12 0.58 0.00 -1.23 0.00 0.00 174.94 174.34 1a47 s VAL 586 N 2.61 3.05 -0.30 0.00 1.01 -0.31 -1.76 120.40 124.70 1a47 s VAL 586 Ca 0.19 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1a47 s VAL 586 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1a47 s VAL 586 CO 0.17 0.53 0.54 -0.60 0.00 0.00 0.00 175.10 175.74 1a47 s ARG 587 N 0.21 3.89 -0.10 2.72 3.52 0.67 -1.66 118.95 128.19 1a47 s ARG 587 Ca -0.08 0.15 -0.19 0.00 -0.13 0.00 0.00 55.73 55.48 1a47 s ARG 587 Cb -0.15 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 1a47 s ARG 587 CO 0.05 -0.50 0.52 -0.06 -0.81 0.00 0.00 175.30 174.51 1a47 s PHE 588 N 2.40 3.54 -0.05 5.12 0.40 0.06 -0.46 117.98 128.99 1a47 s PHE 588 Ca 0.21 0.97 0.02 0.00 -0.60 0.00 0.00 56.93 57.53 1a47 s PHE 588 Cb -0.15 -2.59 0.02 0.00 0.51 0.00 0.00 43.02 40.80 1a47 s PHE 588 CO 0.11 0.17 -0.08 0.08 0.70 0.00 0.00 175.22 176.20 1a47 s VAL 589 N 0.58 0.81 -0.10 -0.44 1.01 0.13 -1.40 120.40 121.00 1a47 s VAL 589 Ca 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1a47 s VAL 589 Cb -0.16 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1a47 s VAL 589 CO 0.12 0.28 -0.07 0.54 0.00 0.00 0.00 175.10 175.97 1a47 s VAL 590 N 0.83 0.93 0.22 2.92 0.11 -0.23 -0.66 120.40 124.52 1a47 s VAL 590 Ca -0.12 -0.26 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1a47 s VAL 590 Cb -0.15 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1a47 s VAL 590 CO 0.01 0.34 0.44 0.20 -3.33 0.00 0.00 175.10 172.77 1a47 s ASN 591 N 1.52 6.43 -1.32 3.54 0.01 0.11 -1.39 114.94 123.84 1a47 s ASN 591 Ca 0.01 0.54 -0.05 0.00 -0.71 0.00 0.00 52.86 52.65 1a47 s ASN 591 Cb -0.13 -2.07 0.01 0.00 0.41 0.00 0.00 41.25 39.46 1a47 s ASN 591 CO -0.05 -0.07 0.66 0.59 -1.51 0.00 0.00 177.10 176.72 1a47 n ASN 592 N -0.58 -5.66 -3.84 -1.22 3.02 -1.25 -0.73 115.26 105.00 1a47 n ASN 592 Ca -0.03 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.79 1a47 n ASN 592 Cb 0.53 -4.43 0.01 0.00 -0.61 0.00 0.00 39.78 35.28 1a47 n ASN 592 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a47 n ALA 593 N -3.68 5.55 -1.95 5.41 0.00 -0.76 -4.58 120.51 120.50 1a47 n ALA 593 Ca -0.07 -4.73 -0.41 0.00 0.00 0.00 0.00 53.44 48.23 1a47 n ALA 593 Cb 0.59 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 1a47 n ALA 593 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a47 s SER 594 N -1.64 7.38 0.33 0.00 1.04 -1.26 -4.82 113.70 114.73 1a47 s SER 594 Ca 0.34 2.07 0.04 0.00 0.48 0.00 0.00 55.95 58.88 1a47 s SER 594 Cb 0.11 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.56 1a47 s SER 594 CO 0.01 -0.10 0.06 0.42 0.98 0.00 0.00 173.24 174.61 1a47 s THR 595 N -0.64 1.22 0.00 2.02 -4.23 -1.26 -5.15 115.64 107.61 1a47 s THR 595 Ca 0.46 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1a47 s THR 595 Cb -0.28 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1a47 s THR 595 CO 0.35 0.00 0.00 1.33 -0.54 0.00 0.00 174.62 175.76 1a47 n VAL 596 N -0.70 0.00 -2.49 2.29 0.24 -1.26 -4.97 118.33 111.44 1a47 n VAL 596 Ca -0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.85 1a47 n VAL 596 Cb 0.67 -1.72 -0.02 0.00 -1.47 0.00 0.00 33.84 31.29 1a47 n VAL 596 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1a47 s TYR 597 N -0.35 3.16 0.00 6.34 5.04 -1.26 -3.02 117.35 127.26 1a47 s TYR 597 Ca 0.00 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 1a47 s TYR 597 Cb 0.00 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.91 1a47 s TYR 597 CO 0.00 -1.22 0.00 0.41 -1.34 0.00 0.00 175.55 173.40 1a47 n GLY 598 N 3.39 0.77 3.71 8.97 0.00 -1.26 -5.04 105.19 115.73 1a47 n GLY 598 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1a47 n GLY 598 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a47 s GLU 599 N -0.34 4.17 0.35 1.61 2.12 -1.17 -4.54 118.70 120.91 1a47 s GLU 599 Ca 0.00 -0.19 0.09 0.00 0.36 0.00 0.00 54.97 55.22 1a47 s GLU 599 Cb 0.00 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 1a47 s GLU 599 CO 0.00 0.24 0.02 -0.80 -0.54 0.00 0.00 175.26 174.17 1a47 s ASN 600 N 0.53 4.14 -0.12 -1.70 0.01 -0.01 -4.66 114.94 113.13 1a47 s ASN 600 Ca 0.09 -1.04 -0.04 0.00 -0.71 0.00 0.00 52.86 51.16 1a47 s ASN 600 Cb -0.12 -0.50 -0.03 0.00 0.41 0.00 0.00 41.25 41.01 1a47 s ASN 600 CO 0.00 -0.27 0.01 -0.69 -1.51 0.00 0.00 177.10 174.64 1a47 s VAL 601 N -2.54 4.40 0.22 1.60 1.01 -1.26 -0.66 120.40 123.17 1a47 s VAL 601 Ca 0.35 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1a47 s VAL 601 Cb 0.01 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1a47 s VAL 601 CO 0.19 0.56 -0.08 -0.31 0.00 0.00 0.00 175.10 175.46 1a47 s TYR 602 N -0.41 1.65 -0.14 5.22 1.51 0.85 -1.41 117.35 124.61 1a47 s TYR 602 Ca 0.08 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.42 1a47 s TYR 602 Cb -0.12 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1a47 s TYR 602 CO 0.02 0.20 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.34 1a47 s LEU 603 N -3.32 2.59 0.10 -1.29 2.96 -0.14 -1.39 118.68 118.19 1a47 s LEU 603 Ca 0.24 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.82 1a47 s LEU 603 Cb 0.02 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1a47 s LEU 603 CO 0.07 0.13 -0.16 0.28 -1.32 0.00 0.00 176.35 175.36 1a47 s THR 604 N 0.52 1.38 0.28 3.68 -1.32 -0.59 -1.12 115.64 118.48 1a47 s THR 604 Ca -0.10 -1.55 -0.17 0.00 -1.21 0.00 0.00 61.69 58.66 1a47 s THR 604 Cb -0.16 -1.40 0.06 0.00 -1.51 0.00 0.00 72.50 69.50 1a47 s THR 604 CO 0.04 -0.26 0.88 0.61 -2.21 0.00 0.00 174.62 173.68 1a47 n GLY 605 N 0.91 0.83 0.37 6.08 0.00 -1.09 -1.31 105.19 110.98 1a47 n GLY 605 Ca -0.18 -1.20 0.14 0.00 0.00 0.00 0.00 46.02 44.78 1a47 n GLY 605 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1a47 h ASN 606 N 1.90 0.66 -1.60 1.61 -1.24 -0.91 -1.33 115.58 114.68 1a47 h ASN 606 Ca -0.29 0.07 -0.45 0.00 0.71 0.00 0.00 56.30 56.33 1a47 h ASN 606 Cb 1.17 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 1a47 h ASN 606 CO 0.38 0.27 -0.34 0.68 -1.29 0.00 0.00 177.43 177.13 1a47 s VAL 607 N -5.70 3.21 0.22 2.57 -7.23 -1.26 -4.73 120.40 107.48 1a47 s VAL 607 Ca -0.10 -1.15 -0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1a47 s VAL 607 Cb 0.24 -3.11 0.19 0.00 0.56 0.00 0.00 36.38 34.26 1a47 s VAL 607 CO 0.80 -0.06 1.87 0.00 -0.31 0.00 0.00 175.10 177.40 1a47 h ALA 608 N 0.89 1.08 -0.07 1.32 0.00 -1.87 0.20 119.26 120.82 1a47 h ALA 608 Ca -0.42 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1a47 h ALA 608 Cb 1.27 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1a47 h ALA 608 CO 0.52 0.54 0.12 0.93 0.00 0.00 0.00 179.25 181.36 1a47 h GLU 609 N 1.17 0.00 -0.27 0.00 3.07 -1.94 0.69 114.58 117.30 1a47 h GLU 609 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1a47 h GLU 609 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1a47 h GLU 609 CO -0.06 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.83 1a47 n LEU 610 N -3.49 3.17 0.00 1.33 4.32 -0.28 -4.91 117.00 117.13 1a47 n LEU 610 Ca -0.01 -1.38 0.00 0.00 -0.02 0.00 0.00 56.01 54.60 1a47 n LEU 610 Cb 0.21 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1a47 n LEU 610 CO 0.23 0.65 0.00 0.61 -1.22 0.00 0.00 177.39 177.67 1a47 n GLY 611 N 1.30 0.69 3.49 -0.72 0.00 0.24 -2.65 105.19 107.54 1a47 n GLY 611 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1a47 n GLY 611 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a47 n ASN 612 N 0.00 -3.11 0.00 1.61 3.02 -0.10 -2.20 115.26 114.48 1a47 n ASN 612 Ca 0.00 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1a47 n ASN 612 Cb 0.00 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.13 1a47 n ASN 612 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1a47 n TRP 613 N -4.36 0.00 -2.84 3.10 7.02 -0.53 -4.95 117.44 114.87 1a47 n TRP 613 Ca -0.21 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.84 1a47 n TRP 613 Cb 0.64 -1.09 -0.04 0.00 -2.42 0.00 0.00 31.31 28.41 1a47 n TRP 613 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1a47 s ASP 614 N -2.01 6.22 0.55 -0.99 -1.08 -0.93 -4.89 116.67 113.53 1a47 s ASP 614 Ca 0.00 -1.08 0.27 0.00 -0.52 0.00 0.00 52.55 51.21 1a47 s ASP 614 Cb 0.00 -2.43 1.44 0.00 -1.46 0.00 0.00 42.92 40.48 1a47 s ASP 614 CO 0.00 -1.42 1.98 0.71 0.52 0.00 0.00 175.17 176.96 1a47 h THR 615 N 5.98 0.64 0.00 1.71 1.35 -1.92 0.22 112.91 120.89 1a47 h THR 615 Ca -0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 1a47 h THR 615 Cb 1.06 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1a47 h THR 615 CO 1.19 0.00 -0.11 0.77 -0.25 0.00 0.00 175.52 177.11 1a47 h SER 616 N 0.00 0.00 -0.37 5.36 4.64 -1.97 -2.94 113.55 118.27 1a47 h SER 616 Ca 0.24 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.33 1a47 h SER 616 Cb 1.04 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.97 1a47 h SER 616 CO -0.00 0.11 -0.30 0.29 -0.87 0.00 0.00 176.83 176.06 1a47 n LYS 617 N -3.24 2.17 -2.52 4.77 5.02 0.75 -5.05 118.16 120.07 1a47 n LYS 617 Ca 0.01 -3.44 -0.35 0.00 -2.02 0.00 0.00 58.31 52.51 1a47 n LYS 617 Cb 0.38 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 1a47 n LYS 617 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a47 s ALA 618 N -3.36 2.91 -0.24 7.82 0.00 -1.01 -4.43 121.76 123.45 1a47 s ALA 618 Ca 0.45 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 1a47 s ALA 618 Cb 0.40 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.25 1a47 s ALA 618 CO -0.02 -0.33 1.22 0.42 0.00 0.00 0.00 175.76 177.05 1a47 s ILE 619 N -1.89 4.32 -5.00 0.00 1.09 -0.28 -4.83 121.20 114.61 1a47 s ILE 619 Ca 0.66 1.55 0.00 0.00 -1.10 0.00 0.00 60.65 61.76 1a47 s ILE 619 Cb -0.18 -4.14 0.00 0.00 -1.06 0.00 0.00 42.46 37.07 1a47 s ILE 619 CO 0.22 -0.30 0.00 0.61 -0.10 0.00 0.00 174.94 175.38 1a47 n GLY 620 N 3.84 -0.17 3.76 6.18 0.00 -1.26 -0.97 105.19 116.56 1a47 n GLY 620 Ca 0.14 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1a47 n GLY 620 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a47 s PRO 621 N -2.00 4.22 0.86 1.61 0.04 -1.26 -5.09 135.00 133.39 1a47 s PRO 621 Ca 0.00 2.40 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1a47 s PRO 621 Cb 0.00 -3.05 0.11 0.00 0.04 0.00 0.00 34.50 31.60 1a47 s PRO 621 CO 0.00 -0.43 1.14 -1.64 0.04 0.00 0.00 177.00 176.12 1a47 s MET 622 N -1.17 1.42 0.51 4.56 -1.94 -0.50 -5.01 119.30 117.17 1a47 s MET 622 Ca 0.56 1.50 -0.12 0.00 -1.71 0.00 0.00 55.69 55.92 1a47 s MET 622 Cb -0.44 -1.78 -0.06 0.00 2.01 0.00 0.00 34.83 34.57 1a47 s MET 622 CO 0.51 -2.33 0.92 -0.06 -0.01 0.00 0.00 175.02 174.05 1a47 s PHE 623 N -2.61 3.52 -0.34 -0.03 0.08 -0.03 -4.84 117.98 113.73 1a47 s PHE 623 Ca 0.67 1.22 0.13 0.00 0.12 0.00 0.00 56.93 59.07 1a47 s PHE 623 Cb -0.22 -2.62 0.41 0.00 -0.57 0.00 0.00 43.02 40.02 1a47 s PHE 623 CO 0.56 -0.39 1.50 0.27 -0.10 0.00 0.00 175.22 177.07 1a47 n ASN 624 N -1.95 -1.39 0.00 1.36 0.23 -1.26 -1.20 115.26 111.05 1a47 n ASN 624 Ca 0.05 -2.25 0.00 0.00 -0.53 0.00 0.00 54.58 51.85 1a47 n ASN 624 Cb 0.54 0.68 0.00 0.00 -2.08 0.00 0.00 39.78 38.92 1a47 n ASN 624 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a47 n GLN 625 N -1.38 0.00 0.00 -3.83 6.02 -0.23 -2.76 117.38 115.20 1a47 n GLN 625 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1a47 n GLN 625 Cb 0.87 -0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.13 1a47 n GLN 625 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1a47 n VAL 626 N -2.50 0.00 0.08 5.09 0.31 -1.26 -4.28 118.33 115.77 1a47 n VAL 626 Ca 0.00 0.87 -0.13 0.00 -0.01 0.00 0.00 64.34 65.07 1a47 n VAL 626 Cb 0.00 -1.75 -0.08 0.00 -0.91 0.00 0.00 33.84 31.10 1a47 n VAL 626 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1a47 h VAL 627 N 0.00 0.97 -4.24 2.52 2.07 -1.96 -3.44 116.25 112.16 1a47 h VAL 627 Ca 0.00 -0.30 -0.61 0.00 0.82 0.00 0.00 66.70 66.61 1a47 h VAL 627 Cb 0.00 1.16 -0.27 0.00 -1.52 0.00 0.00 31.29 30.67 1a47 h VAL 627 CO 0.00 0.07 -0.85 -0.31 0.02 0.00 0.00 177.57 176.50 1a47 s TYR 628 N -5.61 1.92 -0.05 1.57 2.02 -1.26 -5.14 117.35 110.80 1a47 s TYR 628 Ca -0.14 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 1a47 s TYR 628 Cb 0.04 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 1a47 s TYR 628 CO 0.65 0.08 0.03 -0.65 -1.57 0.00 0.00 175.55 174.08 1a47 s GLN 629 N -1.07 2.99 0.47 -0.62 1.11 -1.26 -1.06 119.66 120.22 1a47 s GLN 629 Ca 0.08 -0.45 -0.22 0.00 0.01 0.00 0.00 55.36 54.79 1a47 s GLN 629 Cb -0.09 -2.81 -0.11 0.00 -1.01 0.00 0.00 33.01 28.99 1a47 s GLN 629 CO 0.01 0.68 0.70 0.98 0.01 0.00 0.00 175.29 177.67 1a47 n TYR 630 N 1.72 0.03 1.45 0.91 4.19 -1.11 -1.22 117.16 123.13 1a47 n TYR 630 Ca -0.16 0.54 0.00 0.00 3.31 0.00 0.00 57.90 61.59 1a47 n TYR 630 Cb 0.53 -2.06 0.00 0.00 0.49 0.00 0.00 39.34 38.30 1a47 n TYR 630 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1a47 n PRO 631 N 0.20 0.99 -3.29 2.98 -0.04 -1.26 -5.06 135.00 129.52 1a47 n PRO 631 Ca 0.11 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 1a47 n PRO 631 Cb 0.42 -1.27 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 1a47 n PRO 631 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1a47 s THR 632 N -1.46 5.13 0.18 0.52 -4.23 -0.36 -1.83 115.64 113.60 1a47 s THR 632 Ca 0.00 0.87 0.05 0.00 -1.18 0.00 0.00 61.69 61.44 1a47 s THR 632 Cb 0.00 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1a47 s THR 632 CO 0.00 0.20 0.16 0.26 -0.54 0.00 0.00 174.62 174.70 1a47 s TRP 633 N 1.54 3.18 0.22 3.99 0.52 -0.49 -4.12 118.94 123.78 1a47 s TRP 633 Ca 0.22 -0.02 -0.11 0.00 0.02 0.00 0.00 56.10 56.21 1a47 s TRP 633 Cb -0.15 -1.51 -0.01 0.00 -1.15 0.00 0.00 33.47 30.65 1a47 s TRP 633 CO 0.09 0.52 0.39 1.52 0.02 0.00 0.00 176.95 179.49 1a47 s TYR 634 N -1.82 0.42 -0.27 -1.98 1.13 -0.34 -1.06 117.35 113.43 1a47 s TYR 634 Ca 0.32 -0.77 -0.26 0.00 -1.41 0.00 0.00 57.07 54.94 1a47 s TYR 634 Cb -0.10 0.06 0.16 0.00 -1.10 0.00 0.00 41.96 40.98 1a47 s TYR 634 CO 0.24 -0.88 1.23 -0.47 -2.51 0.00 0.00 175.55 173.16 1a47 s TYR 635 N -4.01 -0.23 -0.35 -3.49 5.04 -0.49 -0.85 117.35 112.97 1a47 s TYR 635 Ca 0.22 0.52 -0.17 0.00 -2.44 0.00 0.00 57.07 55.20 1a47 s TYR 635 Cb 0.01 0.44 -0.01 0.00 0.35 0.00 0.00 41.96 42.76 1a47 s TYR 635 CO 0.06 -0.14 0.46 -0.51 -1.34 0.00 0.00 175.55 174.08 1a47 s ASP 636 N -0.26 6.27 0.04 4.32 1.01 -1.26 -0.76 116.67 126.03 1a47 s ASP 636 Ca 0.05 -0.11 0.08 0.00 0.71 0.00 0.00 52.55 53.28 1a47 s ASP 636 Cb -0.04 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.62 1a47 s ASP 636 CO -0.09 -0.44 -0.23 -0.69 0.21 0.00 0.00 175.17 173.94 1a47 s VAL 637 N 2.26 1.81 -0.23 -1.27 1.01 -0.67 -2.97 120.40 120.35 1a47 s VAL 637 Ca 0.16 -1.24 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 1a47 s VAL 637 Cb -0.16 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1a47 s VAL 637 CO 0.13 0.28 0.52 -0.55 0.00 0.00 0.00 175.10 175.47 1a47 s SER 638 N -1.14 6.50 0.16 3.32 0.15 -1.26 -1.17 113.70 120.27 1a47 s SER 638 Ca 0.09 0.60 0.03 0.00 0.70 0.00 0.00 55.95 57.37 1a47 s SER 638 Cb -0.09 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 1a47 s SER 638 CO 0.02 -0.23 -0.04 0.68 1.20 0.00 0.00 173.24 174.86 1a47 s VAL 639 N 1.96 0.89 -0.12 4.45 -7.23 -0.08 -4.83 120.40 115.44 1a47 s VAL 639 Ca 0.23 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 1a47 s VAL 639 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1a47 s VAL 639 CO 0.09 -0.59 1.51 -2.16 -0.31 0.00 0.00 175.10 173.64 1a47 s PRO 640 N -3.84 4.15 0.50 4.82 0.04 -1.26 0.16 135.00 139.56 1a47 s PRO 640 Ca 0.21 1.93 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 1a47 s PRO 640 Cb 0.05 -3.91 -0.07 0.00 0.04 0.00 0.00 34.50 30.60 1a47 s PRO 640 CO 0.02 -0.86 1.24 0.00 0.04 0.00 0.00 177.00 177.44 1a47 n ALA 641 N 7.12 1.15 -1.24 8.56 0.00 0.14 -2.58 120.51 133.67 1a47 n ALA 641 Ca 0.16 0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.69 1a47 n ALA 641 Cb 0.44 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 1a47 n ALA 641 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a47 n GLY 642 N 0.89 0.86 3.86 0.00 0.00 0.78 -4.84 105.19 106.74 1a47 n GLY 642 Ca 0.09 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1a47 n GLY 642 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a47 s THR 643 N -1.89 5.22 -0.43 2.61 2.01 -1.06 -4.79 115.64 117.31 1a47 s THR 643 Ca 0.00 -0.14 -0.19 0.00 0.31 0.00 0.00 61.69 61.68 1a47 s THR 643 Cb 0.00 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1a47 s THR 643 CO 0.00 0.42 0.52 -0.89 -0.69 0.00 0.00 174.62 173.97 1a47 s THR 644 N -1.20 4.99 0.00 -0.82 2.01 -1.26 0.09 115.64 119.45 1a47 s THR 644 Ca 0.22 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 1a47 s THR 644 Cb -0.12 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1a47 s THR 644 CO 0.13 -0.49 0.08 0.27 -0.69 0.00 0.00 174.62 173.92 1a47 s ILE 645 N 2.39 4.68 -0.24 1.82 -4.36 0.14 -4.92 121.20 120.72 1a47 s ILE 645 Ca 0.16 -0.44 -0.06 0.00 -0.26 0.00 0.00 60.65 60.05 1a47 s ILE 645 Cb -0.16 -3.14 -0.02 0.00 1.25 0.00 0.00 42.46 40.39 1a47 s ILE 645 CO 0.16 0.34 0.03 -1.10 0.24 0.00 0.00 174.94 174.61 1a47 s GLN 646 N -1.76 3.56 0.26 0.37 -0.21 -1.26 -1.68 119.66 118.93 1a47 s GLN 646 Ca 0.23 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 55.09 1a47 s GLN 646 Cb -0.12 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 1a47 s GLN 646 CO 0.14 -0.19 0.09 -0.59 -2.12 0.00 0.00 175.29 172.62 1a47 s PHE 647 N 1.57 1.53 -0.16 0.91 -0.71 -0.26 -0.19 117.98 120.67 1a47 s PHE 647 Ca 0.06 -1.17 -0.27 0.00 -1.04 0.00 0.00 56.93 54.51 1a47 s PHE 647 Cb -0.15 -0.89 0.07 0.00 -1.21 0.00 0.00 43.02 40.84 1a47 s PHE 647 CO 0.01 -0.33 0.68 0.21 -1.34 0.00 0.00 175.22 174.46 1a47 s LYS 648 N -4.03 0.93 0.18 1.99 2.47 -0.43 -0.59 119.74 120.26 1a47 s LYS 648 Ca 0.37 0.61 -0.02 0.00 -1.56 0.00 0.00 55.97 55.37 1a47 s LYS 648 Cb 0.08 0.44 -0.05 0.00 -1.46 0.00 0.00 37.83 36.84 1a47 s LYS 648 CO 0.13 -0.21 0.38 -0.06 0.16 0.00 0.00 175.35 175.76 1a47 s PHE 649 N -0.40 3.48 0.04 4.03 0.40 -1.26 -1.54 117.98 122.73 1a47 s PHE 649 Ca -0.05 0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 56.68 1a47 s PHE 649 Cb -0.03 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 1a47 s PHE 649 CO 0.05 0.40 0.03 0.96 0.70 0.00 0.00 175.22 177.36 1a47 s ILE 650 N -1.78 0.15 -0.18 0.64 -4.36 -0.48 -2.16 121.20 113.03 1a47 s ILE 650 Ca 0.39 -1.26 -0.06 0.00 -0.26 0.00 0.00 60.65 59.46 1a47 s ILE 650 Cb -0.12 -0.92 -0.03 0.00 1.25 0.00 0.00 42.46 42.64 1a47 s ILE 650 CO 0.27 -0.70 0.03 -0.54 0.24 0.00 0.00 174.94 174.24 1a47 s LYS 651 N -2.72 3.81 -0.02 0.37 1.02 0.48 -0.11 119.74 122.58 1a47 s LYS 651 Ca -0.04 -0.43 0.04 0.00 0.02 0.00 0.00 55.97 55.56 1a47 s LYS 651 Cb -0.01 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1a47 s LYS 651 CO -0.05 0.19 -0.14 0.15 -0.92 0.00 0.00 175.35 174.58 1a47 s LYS 652 N 0.55 1.27 0.01 1.68 1.02 0.17 -1.24 119.74 123.19 1a47 s LYS 652 Ca 0.01 -0.49 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1a47 s LYS 652 Cb -0.13 -1.18 -0.01 0.00 -0.52 0.00 0.00 37.83 35.98 1a47 s LYS 652 CO 0.02 0.25 -0.05 0.27 -0.92 0.00 0.00 175.35 174.92 1a47 n ASN 653 N 2.96 0.72 0.00 2.83 6.94 -1.23 -0.83 115.26 126.65 1a47 n ASN 653 Ca -0.16 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 1a47 n ASN 653 Cb 0.54 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1a47 n ASN 653 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a47 n GLY 654 N 2.99 0.27 2.32 4.83 0.00 -1.26 -4.87 105.19 109.46 1a47 n GLY 654 Ca -0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1a47 n GLY 654 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a47 n ASN 655 N 0.00 1.33 0.00 1.61 2.85 -1.26 -5.06 115.26 114.73 1a47 n ASN 655 Ca 0.00 -3.06 0.00 0.00 -0.11 0.00 0.00 54.58 51.41 1a47 n ASN 655 Cb 0.00 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.42 1a47 n ASN 655 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1a47 n THR 656 N 0.18 0.00 -3.67 -0.44 5.66 -1.26 -5.14 114.28 109.61 1a47 n THR 656 Ca 0.24 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.96 1a47 n THR 656 Cb 0.65 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.27 1a47 n THR 656 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1a47 s ILE 657 N -1.03 0.42 -0.38 1.09 -1.09 -1.26 -3.50 121.20 115.45 1a47 s ILE 657 Ca 0.00 -0.81 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 1a47 s ILE 657 Cb 0.00 -1.16 0.00 0.00 -1.58 0.00 0.00 42.46 39.72 1a47 s ILE 657 CO 0.00 -0.48 0.31 -0.89 -1.23 0.00 0.00 174.94 172.65 1a47 s THR 658 N 1.88 5.22 0.53 2.92 2.01 -0.37 -4.94 115.64 122.89 1a47 s THR 658 Ca 0.05 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 1a47 s THR 658 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1a47 s THR 658 CO -0.20 -0.19 0.89 0.26 -0.69 0.00 0.00 174.62 174.70 1a47 s TRP 659 N 1.83 3.57 0.45 4.92 0.52 -1.26 -0.39 118.94 128.59 1a47 s TRP 659 Ca 0.08 1.07 -0.21 0.00 0.02 0.00 0.00 56.10 57.05 1a47 s TRP 659 Cb -0.18 -2.51 -0.09 0.00 -1.15 0.00 0.00 33.47 29.54 1a47 s TRP 659 CO 0.11 -0.43 1.01 -2.00 0.02 0.00 0.00 176.95 175.66 1a47 s GLU 660 N -4.79 4.02 0.00 4.98 2.12 -0.92 -4.94 118.70 119.17 1a47 s GLU 660 Ca 0.51 1.33 0.00 0.00 0.36 0.00 0.00 54.97 57.17 1a47 s GLU 660 Cb -0.11 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.05 1a47 s GLU 660 CO 0.46 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1a47 n GLY 661 N -0.20 -0.84 7.00 -1.50 0.00 0.14 -4.96 105.19 104.83 1a47 n GLY 661 Ca 0.08 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1a47 n GLY 661 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a47 n GLY 662 N 5.00 -0.10 3.89 -0.02 0.00 -1.26 -4.76 105.19 107.94 1a47 n GLY 662 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1a47 n GLY 662 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a47 s SER 663 N -4.00 6.30 0.58 1.61 1.04 -1.26 -5.03 113.70 112.94 1a47 s SER 663 Ca 0.00 1.16 -0.20 0.00 0.48 0.00 0.00 55.95 57.40 1a47 s SER 663 Cb 0.00 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1a47 s SER 663 CO 0.00 -0.66 1.07 0.59 0.98 0.00 0.00 173.24 175.23 1a47 n ASN 664 N -2.28 1.30 -4.79 7.02 3.02 -1.26 -4.97 115.26 113.30 1a47 n ASN 664 Ca 0.03 0.86 -0.35 0.00 -0.03 0.00 0.00 54.58 55.09 1a47 n ASN 664 Cb 0.55 -1.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.22 1a47 n ASN 664 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1a47 s HIS 665 N -1.44 3.44 0.05 3.10 3.76 0.24 -4.85 115.29 119.60 1a47 s HIS 665 Ca 0.75 1.69 0.08 0.00 -0.15 0.00 0.00 55.06 57.42 1a47 s HIS 665 Cb -0.43 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.28 1a47 s HIS 665 CO 0.48 -0.14 -0.23 0.99 -0.85 0.00 0.00 174.74 174.99 1a47 s THR 666 N -1.82 1.88 -0.20 1.30 2.01 -1.26 -1.10 115.64 116.44 1a47 s THR 666 Ca 0.57 -1.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 1a47 s THR 666 Cb -0.16 -1.62 0.09 0.00 0.01 0.00 0.00 72.50 70.81 1a47 s THR 666 CO 0.21 0.27 0.80 -0.47 -0.69 0.00 0.00 174.62 174.74 1a47 s TYR 667 N -0.81 -0.65 -0.34 4.92 5.04 -0.68 -5.00 117.35 119.84 1a47 s TYR 667 Ca 0.09 1.42 -0.07 0.00 -2.44 0.00 0.00 57.07 56.07 1a47 s TYR 667 Cb -0.09 0.35 0.03 0.00 0.35 0.00 0.00 41.96 42.60 1a47 s TYR 667 CO 0.02 -0.41 0.12 0.99 -1.34 0.00 0.00 175.55 174.93 1a47 s THR 668 N -0.24 3.94 0.23 4.34 2.01 -1.26 0.28 115.64 124.94 1a47 s THR 668 Ca -0.03 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 60.61 1a47 s THR 668 Cb -0.03 -3.21 -0.12 0.00 0.01 0.00 0.00 72.50 69.15 1a47 s THR 668 CO 0.02 -0.17 1.69 -0.69 -0.69 0.00 0.00 174.62 174.78 1a47 s VAL 669 N 1.44 2.03 1.10 3.82 1.01 0.11 -4.88 120.40 125.02 1a47 s VAL 669 Ca -0.01 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1a47 s VAL 669 Cb -0.19 -3.01 0.17 0.00 0.00 0.00 0.00 36.38 33.35 1a47 s VAL 669 CO 0.03 0.00 0.58 -2.65 0.00 0.00 0.00 175.10 173.06 1a47 n PRO 670 N 3.48 -1.62 -0.09 2.72 -0.02 -1.26 -0.16 135.00 138.05 1a47 n PRO 670 Ca 0.14 -0.44 -0.07 0.00 -2.02 0.00 0.00 63.50 61.10 1a47 n PRO 670 Cb 0.36 -1.98 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 1a47 n PRO 670 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1a47 n SER 671 N -3.17 0.11 0.00 2.55 7.64 -1.26 -1.34 113.62 118.15 1a47 n SER 671 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1a47 n SER 671 Cb 0.57 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.87 1a47 n SER 671 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1a47 n SER 672 N -2.68 0.00 -4.18 6.43 3.41 -1.26 -4.85 113.62 110.50 1a47 n SER 672 Ca -0.29 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.03 1a47 n SER 672 Cb 1.08 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 65.30 1a47 n SER 672 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a47 s SER 673 N 0.65 0.20 0.83 4.04 1.04 -1.26 -4.96 113.70 114.24 1a47 s SER 673 Ca 0.00 1.31 -0.12 0.00 0.48 0.00 0.00 55.95 57.62 1a47 s SER 673 Cb 0.00 -2.00 0.09 0.00 0.10 0.00 0.00 66.02 64.21 1a47 s SER 673 CO 0.00 -4.65 1.10 0.42 0.98 0.00 0.00 173.24 171.08 1a47 s THR 674 N -2.38 2.88 0.28 2.02 -4.23 -1.26 -4.76 115.64 108.19 1a47 s THR 674 Ca 0.69 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 61.51 1a47 s THR 674 Cb -0.22 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1a47 s THR 674 CO 0.63 -0.37 0.16 -0.83 -0.54 0.00 0.00 174.62 173.67 1a47 s GLY 675 N -3.77 1.94 -0.15 3.99 0.00 -0.72 -4.93 107.32 103.68 1a47 s GLY 675 Ca 0.62 -1.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.46 1a47 s GLY 675 CO 0.55 -1.55 0.38 -1.59 0.00 0.00 0.00 173.10 170.89 1a47 s THR 676 N -3.70 -0.02 -0.08 0.90 2.01 -1.26 -0.24 115.64 113.25 1a47 s THR 676 Ca 0.37 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1a47 s THR 676 Cb 0.05 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1a47 s THR 676 CO 0.17 0.03 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.24 1a47 s VAL 677 N 1.12 1.72 -0.14 3.82 1.01 0.39 -4.93 120.40 123.39 1a47 s VAL 677 Ca -0.07 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1a47 s VAL 677 Cb -0.07 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1a47 s VAL 677 CO -0.09 0.48 -0.18 -0.63 0.00 0.00 0.00 175.10 174.68 1a47 s ILE 678 N 0.36 1.79 0.28 2.22 1.01 -1.26 0.22 121.20 125.82 1a47 s ILE 678 Ca -0.15 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1a47 s ILE 678 Cb -0.16 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 1a47 s ILE 678 CO 0.06 0.50 0.12 0.68 0.00 0.00 0.00 174.94 176.30 1a47 s VAL 679 N 1.14 0.46 -0.07 2.92 -7.23 0.17 -5.01 120.40 112.78 1a47 s VAL 679 Ca -0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 1a47 s VAL 679 Cb -0.14 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1a47 s VAL 679 CO -0.07 0.00 -0.19 0.20 -0.31 0.00 0.00 175.10 174.73 1a47 s ASN 680 N -3.34 3.56 -0.15 4.85 0.01 -1.26 0.09 114.94 118.71 1a47 s ASN 680 Ca 0.37 -0.38 -0.36 0.00 -0.71 0.00 0.00 52.86 51.78 1a47 s ASN 680 Cb 0.07 -1.01 -0.13 0.00 0.41 0.00 0.00 41.25 40.59 1a47 s ASN 680 CO 0.15 0.26 1.86 1.87 -1.51 0.00 0.00 177.10 179.73 1a47 n TRP 681 N 2.88 2.24 -2.92 2.20 -0.00 0.09 -4.88 117.44 117.05 1a47 n TRP 681 Ca -0.17 0.13 -0.41 0.00 -0.00 0.00 0.00 57.50 57.05 1a47 n TRP 681 Cb 0.52 -2.61 -0.04 0.00 -0.00 0.00 0.00 31.31 29.18 1a47 n TRP 681 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1a47 s GLN 682 N 4.07 4.44 0.00 5.87 -0.21 -1.26 -4.99 119.66 127.58 1a47 s GLN 682 Ca 0.95 1.06 0.28 0.00 0.02 0.00 0.00 55.36 57.67 1a47 s GLN 682 Cb -0.79 -3.48 1.14 0.00 1.00 0.00 0.00 33.01 30.88 1a47 s GLN 682 CO 0.55 -0.04 1.79 1.04 -2.12 0.00 0.00 175.29 176.51