#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6cpa n ARG 2 N 0.00 0.50 0.00 0.00 0.63 -1.26 -5.09 116.66 111.44 6cpa n ARG 2 Ca 0.00 -0.45 0.00 0.00 -0.92 0.00 0.00 57.85 56.48 6cpa n ARG 2 Cb 0.00 0.16 0.00 0.00 0.45 0.00 0.00 32.46 33.07 6cpa n ARG 2 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 6cpa n SER 3 N -0.57 0.00 0.00 6.15 2.88 -1.26 -5.00 113.62 115.82 6cpa n SER 3 Ca -0.07 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.62 6cpa n SER 3 Cb 0.64 0.00 0.84 0.00 -0.75 0.00 0.00 64.21 64.94 6cpa n SER 3 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 6cpa n THR 4 N -0.07 0.02 0.44 2.46 -2.24 -1.26 -2.22 114.28 111.40 6cpa n THR 4 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 6cpa n THR 4 Cb 0.00 -0.53 0.33 0.00 -2.10 0.00 0.00 70.33 68.03 6cpa n THR 4 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 6cpa h ASN 5 N 0.00 0.00 0.12 3.42 2.35 -2.00 -3.21 115.58 116.25 6cpa h ASN 5 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 6cpa h ASN 5 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 6cpa h ASN 5 CO 0.00 0.00 -1.29 0.41 -1.65 0.00 0.00 177.43 174.90 6cpa n THR 6 N -2.63 0.04 -1.80 2.81 -1.04 -0.94 -4.97 114.28 105.75 6cpa n THR 6 Ca 0.04 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.05 61.45 6cpa n THR 6 Cb 0.45 0.49 0.02 0.00 -1.82 0.00 0.00 70.33 69.47 6cpa n THR 6 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 6cpa s PHE 7 N -3.20 2.46 -0.51 -1.42 2.19 -1.15 -4.48 117.98 111.87 6cpa s PHE 7 Ca 0.02 1.27 -0.19 0.00 0.33 0.00 0.00 56.93 58.36 6cpa s PHE 7 Cb 0.15 -3.91 0.06 0.00 -1.31 0.00 0.00 43.02 38.01 6cpa s PHE 7 CO 0.86 -2.92 0.60 1.21 1.83 0.00 0.00 175.22 176.80 6cpa s ASN 8 N -0.52 6.21 0.07 6.13 3.84 -1.26 -4.88 114.94 124.53 6cpa s ASN 8 Ca 0.61 -0.99 0.27 0.00 0.21 0.00 0.00 52.86 52.96 6cpa s ASN 8 Cb -0.44 -2.28 0.89 0.00 -0.55 0.00 0.00 41.25 38.87 6cpa s ASN 8 CO 0.56 -0.88 1.72 -1.22 -2.79 0.00 0.00 177.10 174.49 6cpa n TYR 9 N 6.07 0.30 -0.74 0.43 4.01 -1.26 -3.65 117.16 122.31 6cpa n TYR 9 Ca -0.07 0.09 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 6cpa n TYR 9 Cb 0.45 -0.58 0.27 0.00 -0.31 0.00 0.00 39.34 39.16 6cpa n TYR 9 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 6cpa n ALA 10 N -1.61 4.32 -2.12 -0.72 0.00 -1.26 -4.68 120.51 114.44 6cpa n ALA 10 Ca 0.06 -2.00 -0.08 0.00 0.00 0.00 0.00 53.44 51.42 6cpa n ALA 10 Cb 0.37 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 6cpa n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 6cpa s THR 11 N -2.64 0.26 -0.04 0.00 -1.32 -1.24 -4.60 115.64 106.05 6cpa s THR 11 Ca 0.48 -1.85 -0.25 0.00 -1.21 0.00 0.00 61.69 58.85 6cpa s THR 11 Cb 0.38 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 6cpa s THR 11 CO 0.12 -0.85 0.77 -0.31 -2.21 0.00 0.00 174.62 172.14 6cpa s TYR 12 N -3.91 3.61 0.45 9.09 2.02 -1.26 -5.01 117.35 122.34 6cpa s TYR 12 Ca 0.12 1.37 0.07 0.00 -0.37 0.00 0.00 57.07 58.26 6cpa s TYR 12 Cb 0.08 -2.87 -0.02 0.00 -0.40 0.00 0.00 41.96 38.75 6cpa s TYR 12 CO -0.06 0.09 0.31 -1.01 -1.57 0.00 0.00 175.55 173.30 6cpa s HIS 13 N 0.74 2.40 0.61 2.71 3.76 -1.26 -5.14 115.29 119.11 6cpa s HIS 13 Ca 0.41 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.68 6cpa s HIS 13 Cb -0.19 -2.03 0.04 0.00 1.11 0.00 0.00 32.58 31.52 6cpa s HIS 13 CO 0.21 -0.09 0.86 0.95 -0.85 0.00 0.00 174.74 175.82 6cpa s THR 14 N -2.60 2.53 0.14 1.30 -4.23 -1.26 -4.93 115.64 106.59 6cpa s THR 14 Ca 0.42 -0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 60.23 6cpa s THR 14 Cb -0.00 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.83 6cpa s THR 14 CO 0.24 -0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.30 6cpa h LEU 15 N -0.18 0.01 -0.81 4.79 7.12 -1.97 -2.27 115.31 122.00 6cpa h LEU 15 Ca -0.43 0.05 0.13 0.00 0.13 0.00 0.00 57.88 57.76 6cpa h LEU 15 Cb 1.30 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 41.41 6cpa h LEU 15 CO 0.55 0.04 0.40 0.44 -0.13 0.00 0.00 178.44 179.75 6cpa h ASP 16 N 0.16 0.48 -0.53 1.25 3.32 -1.99 -0.87 116.42 118.24 6cpa h ASP 16 Ca 0.13 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 6cpa h ASP 16 Cb 0.14 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 6cpa h ASP 16 CO -0.17 0.22 0.18 -0.33 -1.72 0.00 0.00 179.24 177.42 6cpa h GLU 17 N 0.60 0.82 -0.64 3.56 5.08 -1.91 -0.58 114.58 121.51 6cpa h GLU 17 Ca 0.43 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 6cpa h GLU 17 Cb 0.58 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 6cpa h GLU 17 CO -0.35 0.74 0.19 0.82 -1.00 0.00 0.00 179.01 179.42 6cpa h ILE 18 N 0.73 1.25 -0.11 3.13 2.04 -0.95 -0.68 117.51 122.92 6cpa h ILE 18 Ca 0.17 -0.86 -0.15 0.00 1.00 0.00 0.00 64.86 65.02 6cpa h ILE 18 Cb 0.25 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 6cpa h ILE 18 CO -0.01 0.33 -0.57 1.88 0.00 0.00 0.00 178.15 179.78 6cpa h TYR 19 N 0.92 0.44 -0.79 1.37 -1.99 -1.10 -2.14 116.97 113.68 6cpa h TYR 19 Ca 0.21 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 6cpa h TYR 19 Cb 0.31 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.92 6cpa h TYR 19 CO 0.02 0.83 0.38 -0.44 -0.00 0.00 0.00 178.16 178.96 6cpa h ASP 20 N 0.26 1.03 -0.93 3.88 3.45 -1.00 -2.48 116.42 120.64 6cpa h ASP 20 Ca -0.00 -0.13 0.06 0.00 0.43 0.00 0.00 57.03 57.38 6cpa h ASP 20 Cb 1.08 -0.26 -0.06 0.00 -0.56 0.00 0.00 39.33 39.52 6cpa h ASP 20 CO 0.09 0.87 0.59 0.15 -1.57 0.00 0.00 179.24 179.38 6cpa h PHE 21 N 1.11 1.09 -0.42 4.55 3.57 -0.76 -0.94 116.94 125.14 6cpa h PHE 21 Ca 0.27 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.86 6cpa h PHE 21 Cb 0.12 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 6cpa h PHE 21 CO 0.01 0.57 0.12 0.52 -2.23 0.00 0.00 178.31 177.30 6cpa h MET 22 N 1.08 0.26 -0.79 1.11 2.86 -1.11 0.42 114.93 118.76 6cpa h MET 22 Ca 0.40 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.03 6cpa h MET 22 Cb 0.14 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 6cpa h MET 22 CO -0.16 0.17 0.52 -0.44 1.06 0.00 0.00 176.91 178.06 6cpa h ASP 23 N 0.27 0.91 -0.54 1.22 3.32 -0.97 -2.33 116.42 118.29 6cpa h ASP 23 Ca 0.20 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 6cpa h ASP 23 Cb 0.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 6cpa h ASP 23 CO -0.23 0.66 0.22 -0.07 -1.72 0.00 0.00 179.24 178.10 6cpa h LEU 24 N 1.07 0.74 -0.53 1.55 3.38 -0.64 -2.26 115.31 118.61 6cpa h LEU 24 Ca 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 6cpa h LEU 24 Cb -0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 6cpa h LEU 24 CO -0.06 0.70 0.27 0.25 0.09 0.00 0.00 178.44 179.69 6cpa h LEU 25 N 0.73 0.69 -0.10 1.67 5.85 -0.83 -1.36 115.31 121.96 6cpa h LEU 25 Ca 0.18 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 6cpa h LEU 25 Cb 0.19 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 6cpa h LEU 25 CO -0.02 0.61 0.06 0.58 -0.34 0.00 0.00 178.44 179.33 6cpa h VAL 26 N 0.71 1.08 -0.41 1.05 2.07 -1.42 -0.75 116.25 118.58 6cpa h VAL 26 Ca 0.19 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.54 6cpa h VAL 26 Cb 0.09 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 6cpa h VAL 26 CO -0.03 0.07 0.28 0.00 0.02 0.00 0.00 177.57 177.92 6cpa h ALA 27 N 0.96 2.01 0.00 1.67 0.00 -1.30 -1.80 119.26 120.79 6cpa h ALA 27 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 6cpa h ALA 27 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 6cpa h ALA 27 CO -0.01 -0.08 -0.87 1.96 0.00 0.00 0.00 179.25 180.25 6cpa h GLN 28 N 0.30 0.00 -2.09 0.00 4.20 -0.75 -3.39 115.11 113.37 6cpa h GLN 28 Ca 0.18 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.36 6cpa h GLN 28 Cb 0.34 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.72 6cpa h GLN 28 CO -0.04 0.87 -0.99 0.72 -0.67 0.00 0.00 178.83 178.72 6cpa n HIS 29 N -3.35 1.41 0.32 2.96 8.25 -0.33 -4.96 115.22 119.52 6cpa n HIS 29 Ca 0.00 -3.86 0.15 0.00 -0.26 0.00 0.00 57.72 53.75 6cpa n HIS 29 Cb 0.87 -0.44 0.66 0.00 1.12 0.00 0.00 29.99 32.21 6cpa n HIS 29 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 6cpa h PRO 30 N 3.20 0.00 0.00 -0.41 0.11 -1.55 -0.93 132.00 132.42 6cpa h PRO 30 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 6cpa h PRO 30 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 6cpa h PRO 30 CO 0.61 0.00 -0.65 0.93 -0.21 0.00 0.00 178.00 178.68 6cpa h GLU 31 N 0.00 0.00 0.00 1.05 4.39 -1.93 -3.39 114.58 114.71 6cpa h GLU 31 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 6cpa h GLU 31 Cb 0.32 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 6cpa h GLU 31 CO 0.00 0.00 -1.98 -0.11 -1.16 0.00 0.00 179.01 175.76 6cpa n LEU 32 N -2.44 2.14 -4.16 1.33 7.94 -0.75 -4.75 117.00 116.31 6cpa n LEU 32 Ca 0.02 -0.07 -0.21 0.00 -1.11 0.00 0.00 56.01 54.64 6cpa n LEU 32 Cb 0.49 -0.34 -0.13 0.00 0.53 0.00 0.00 43.42 43.96 6cpa n LEU 32 CO 0.37 0.67 -0.48 0.54 -1.11 0.00 0.00 177.39 177.38 6cpa s VAL 33 N -2.35 1.21 0.14 1.96 0.11 -0.43 -0.62 120.40 120.42 6cpa s VAL 33 Ca -0.19 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 57.86 6cpa s VAL 33 Cb 0.06 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 6cpa s VAL 33 CO 0.45 0.05 -0.06 -0.94 -3.33 0.00 0.00 175.10 171.27 6cpa s SER 34 N -1.13 1.40 -0.18 3.54 1.04 -0.58 -4.51 113.70 113.27 6cpa s SER 34 Ca 0.03 -1.06 -0.03 0.00 0.48 0.00 0.00 55.95 55.37 6cpa s SER 34 Cb -0.08 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 6cpa s SER 34 CO 0.01 -0.45 -0.07 -0.75 0.98 0.00 0.00 173.24 172.97 6cpa s LYS 35 N -3.83 3.42 -0.05 4.02 2.20 -1.26 -1.88 119.74 122.36 6cpa s LYS 35 Ca 0.17 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 6cpa s LYS 35 Cb 0.05 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 6cpa s LYS 35 CO -0.00 -0.01 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.41 6cpa s LEU 36 N 0.98 3.26 -0.27 5.43 1.43 0.20 -4.96 118.68 124.76 6cpa s LEU 36 Ca -0.00 -0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 6cpa s LEU 36 Cb -0.15 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 6cpa s LEU 36 CO 0.00 0.35 0.16 -1.58 0.23 0.00 0.00 176.35 175.51 6cpa s GLN 37 N -0.97 3.91 0.00 1.70 0.74 -1.26 -0.67 119.66 123.10 6cpa s GLN 37 Ca 0.14 -0.34 0.13 0.00 0.05 0.00 0.00 55.36 55.34 6cpa s GLN 37 Cb -0.11 -3.57 0.15 0.00 1.10 0.00 0.00 33.01 30.58 6cpa s GLN 37 CO 0.03 -0.14 0.99 0.44 -0.55 0.00 0.00 175.29 176.06 6cpa n ILE 38 N 4.91 0.16 -3.63 -2.34 -5.35 -0.92 -5.00 119.36 107.18 6cpa n ILE 38 Ca -0.15 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 6cpa n ILE 38 Cb 0.52 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 6cpa n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 6cpa n GLY 39 N 0.76 -1.27 3.04 3.28 0.00 -1.25 -4.79 105.19 104.96 6cpa n GLY 39 Ca 0.09 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 6cpa n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 6cpa s ARG 40 N -1.26 0.75 1.30 1.61 0.52 -1.26 -1.19 118.95 119.42 6cpa s ARG 40 Ca 0.00 -0.42 -0.19 0.00 -0.52 0.00 0.00 55.73 54.59 6cpa s ARG 40 Cb 0.00 -0.71 0.32 0.00 0.52 0.00 0.00 34.95 35.08 6cpa s ARG 40 CO 0.00 0.19 1.00 -1.54 0.02 0.00 0.00 175.30 174.97 6cpa s SER 41 N -0.46 -0.03 0.18 0.23 1.04 0.11 -4.71 113.70 110.06 6cpa s SER 41 Ca 0.02 0.96 -0.13 0.00 0.48 0.00 0.00 55.95 57.28 6cpa s SER 41 Cb -0.05 -1.41 0.12 0.00 0.10 0.00 0.00 66.02 64.79 6cpa s SER 41 CO -0.00 -4.75 1.79 0.22 0.98 0.00 0.00 173.24 171.49 6cpa h TYR 42 N -3.00 0.50 -0.00 5.02 3.20 -1.96 -2.42 116.97 118.30 6cpa h TYR 42 Ca -0.49 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.40 6cpa h TYR 42 Cb 1.33 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.45 6cpa h TYR 42 CO -2.07 0.26 -0.04 0.39 -1.64 0.00 0.00 178.16 175.07 6cpa n GLU 43 N -4.86 0.88 0.00 1.82 1.02 -1.26 -4.92 120.64 113.32 6cpa n GLU 43 Ca 0.04 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 6cpa n GLU 43 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 6cpa n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 6cpa n GLY 44 N 1.17 1.09 3.76 0.62 0.00 -0.91 -5.09 105.19 105.82 6cpa n GLY 44 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 6cpa n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 6cpa s ARG 45 N -0.23 4.72 0.46 1.61 0.52 -1.26 -4.74 118.95 120.03 6cpa s ARG 45 Ca 0.00 1.65 -0.25 0.00 -0.52 0.00 0.00 55.73 56.61 6cpa s ARG 45 Cb 0.00 -3.20 -0.08 0.00 0.52 0.00 0.00 34.95 32.19 6cpa s ARG 45 CO 0.00 0.34 1.39 -0.35 0.02 0.00 0.00 175.30 176.70 6cpa n PRO 46 N 1.27 2.11 -3.82 3.54 -0.04 -1.26 0.03 135.00 136.83 6cpa n PRO 46 Ca -0.01 0.75 -0.36 0.00 -0.04 0.00 0.00 63.50 63.84 6cpa n PRO 46 Cb 0.46 -2.58 -0.13 0.00 -0.04 0.00 0.00 33.50 31.21 6cpa n PRO 46 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 6cpa s ILE 47 N -1.21 3.88 -0.06 0.52 1.01 -0.33 -4.73 121.20 120.28 6cpa s ILE 47 Ca 0.63 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.97 6cpa s ILE 47 Cb -0.45 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 6cpa s ILE 47 CO 0.56 0.37 -0.11 -0.31 0.00 0.00 0.00 174.94 175.45 6cpa s TYR 48 N 1.55 2.80 -0.04 3.97 2.02 -1.26 -2.17 117.35 124.22 6cpa s TYR 48 Ca 0.06 -0.12 0.06 0.00 -0.37 0.00 0.00 57.07 56.70 6cpa s TYR 48 Cb -0.15 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 6cpa s TYR 48 CO 0.01 0.22 -0.22 0.08 -1.57 0.00 0.00 175.55 174.06 6cpa s VAL 49 N -0.69 1.82 -0.15 0.71 1.01 0.15 -4.47 120.40 118.78 6cpa s VAL 49 Ca 0.10 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 6cpa s VAL 49 Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 6cpa s VAL 49 CO 0.01 0.51 0.19 -0.76 0.00 0.00 0.00 175.10 175.05 6cpa s LEU 50 N -0.24 4.29 -0.19 3.92 1.43 0.13 -0.63 118.68 127.39 6cpa s LEU 50 Ca 0.01 0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.46 6cpa s LEU 50 Cb -0.12 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 6cpa s LEU 50 CO 0.02 0.24 0.04 -0.75 0.23 0.00 0.00 176.35 176.12 6cpa s LYS 51 N -0.13 3.82 -0.19 1.70 2.20 -0.79 -0.41 119.74 125.94 6cpa s LYS 51 Ca 0.13 -0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 6cpa s LYS 51 Cb -0.12 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 6cpa s LYS 51 CO 0.02 0.16 -0.03 -0.06 -0.36 0.00 0.00 175.35 175.08 6cpa s PHE 52 N 0.64 2.98 -0.17 4.03 0.40 0.94 -1.52 117.98 125.29 6cpa s PHE 52 Ca 0.02 -0.62 -0.13 0.00 -0.60 0.00 0.00 56.93 55.59 6cpa s PHE 52 Cb -0.13 -2.05 0.05 0.00 0.51 0.00 0.00 43.02 41.39 6cpa s PHE 52 CO 0.02 -0.32 0.43 0.45 0.70 0.00 0.00 175.22 176.50 6cpa s SER 53 N 1.01 -0.48 0.00 1.36 0.15 0.21 -1.88 113.70 114.07 6cpa s SER 53 Ca 0.01 0.88 0.26 0.00 0.70 0.00 0.00 55.95 57.80 6cpa s SER 53 Cb -0.15 0.85 0.61 0.00 -1.71 0.00 0.00 66.02 65.63 6cpa s SER 53 CO 0.01 -0.16 1.49 0.41 1.20 0.00 0.00 173.24 176.19 6cpa n THR 54 N 3.29 0.00 0.00 6.45 -1.04 -1.26 -4.38 114.28 117.34 6cpa n THR 54 Ca -0.16 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 6cpa n THR 54 Cb 0.57 0.98 0.00 0.00 -1.82 0.00 0.00 70.33 70.05 6cpa n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 6cpa n GLY 55 N 1.27 0.63 0.00 3.41 0.00 -1.26 -5.06 105.19 104.18 6cpa n GLY 55 Ca 0.16 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.42 6cpa n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6cpa n GLY 56 N 0.00 -1.37 0.00 -0.02 0.00 -1.26 -4.83 105.19 97.71 6cpa n GLY 56 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 6cpa n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 6cpa n SER 57 N -1.31 0.00 -3.36 1.61 7.64 -1.26 -4.81 113.62 112.13 6cpa n SER 57 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 6cpa n SER 57 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 6cpa n SER 57 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 6cpa n ASN 58 N -0.32 3.56 -4.68 6.43 5.03 -1.26 -5.07 115.26 118.94 6cpa n ASN 58 Ca 0.00 -3.41 -0.43 0.00 0.87 0.00 0.00 54.58 51.61 6cpa n ASN 58 Cb 0.00 -0.66 -0.01 0.00 -1.02 0.00 0.00 39.78 38.09 6cpa n ASN 58 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 6cpa n ARG 59 N 0.79 1.97 -1.57 3.52 3.00 -1.26 -4.93 116.66 118.18 6cpa n ARG 59 Ca 0.29 0.69 -0.46 0.00 -0.01 0.00 0.00 57.85 58.37 6cpa n ARG 59 Cb 0.42 -2.23 -0.02 0.00 0.00 0.00 0.00 32.46 30.62 6cpa n ARG 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 6cpa n PRO 60 N 0.56 1.20 -4.33 5.56 -0.04 -1.26 -4.63 135.00 132.05 6cpa n PRO 60 Ca 0.06 0.42 -0.18 0.00 -0.04 0.00 0.00 63.50 63.76 6cpa n PRO 60 Cb 0.35 -1.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 6cpa n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 6cpa s ALA 61 N -0.91 1.88 -0.14 0.55 0.00 -0.43 -1.96 121.76 120.76 6cpa s ALA 61 Ca 0.61 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.90 6cpa s ALA 61 Cb -0.75 0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.54 6cpa s ALA 61 CO 0.58 -0.09 -0.20 0.42 0.00 0.00 0.00 175.76 176.47 6cpa s ILE 62 N -3.19 2.22 -0.15 0.00 -1.09 -0.71 -0.21 121.20 118.07 6cpa s ILE 62 Ca 0.24 -0.93 -0.11 0.00 -2.23 0.00 0.00 60.65 57.62 6cpa s ILE 62 Cb 0.03 -1.90 -0.05 0.00 -1.58 0.00 0.00 42.46 38.97 6cpa s ILE 62 CO 0.07 0.54 0.22 0.86 -1.23 0.00 0.00 174.94 175.40 6cpa s TRP 63 N 0.77 3.50 -0.07 3.97 -0.11 -0.77 -0.71 118.94 125.53 6cpa s TRP 63 Ca -0.08 0.53 -0.00 0.00 1.22 0.00 0.00 56.10 57.77 6cpa s TRP 63 Cb -0.16 -2.19 0.03 0.00 -1.50 0.00 0.00 33.47 29.65 6cpa s TRP 63 CO -0.01 0.40 -0.02 0.42 -4.62 0.00 0.00 176.95 173.13 6cpa s ILE 64 N -0.04 0.48 0.14 5.86 1.01 0.37 -0.94 121.20 128.08 6cpa s ILE 64 Ca 0.14 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.89 6cpa s ILE 64 Cb -0.12 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 6cpa s ILE 64 CO 0.03 0.26 -0.22 1.51 0.00 0.00 0.00 174.94 176.52 6cpa s ASP 65 N 1.61 2.82 0.05 3.58 1.47 -0.42 -1.07 116.67 124.72 6cpa s ASP 65 Ca -0.00 -0.77 0.02 0.00 1.18 0.00 0.00 52.55 52.98 6cpa s ASP 65 Cb -0.13 -0.17 -0.03 0.00 -0.34 0.00 0.00 42.92 42.25 6cpa s ASP 65 CO -0.04 0.06 -0.07 -0.76 0.68 0.00 0.00 175.17 175.04 6cpa s LEU 66 N -2.24 2.31 -0.39 2.11 1.02 -0.28 -1.03 118.68 120.18 6cpa s LEU 66 Ca 0.12 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.62 6cpa s LEU 66 Cb -0.09 -0.13 0.00 0.00 0.02 0.00 0.00 46.19 46.00 6cpa s LEU 66 CO 0.06 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.77 6cpa n GLY 67 N 1.14 0.48 0.21 -3.19 0.00 -1.25 -1.76 105.19 100.81 6cpa n GLY 67 Ca -0.21 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.08 6cpa n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 6cpa h ILE 68 N 0.00 0.65 -3.61 -0.61 2.10 -1.91 -3.06 117.51 111.07 6cpa h ILE 68 Ca -0.09 -1.32 -0.70 0.00 1.08 0.00 0.00 64.86 63.84 6cpa h ILE 68 Cb 0.61 1.87 -0.25 0.00 -1.09 0.00 0.00 36.82 37.96 6cpa h ILE 68 CO 0.12 0.28 -0.55 -1.00 -1.08 0.00 0.00 178.15 175.92 6cpa s HIS 69 N -3.57 3.23 0.31 2.19 3.76 -1.26 -4.61 115.29 115.34 6cpa s HIS 69 Ca 0.01 -1.00 0.15 0.00 -0.15 0.00 0.00 55.06 54.06 6cpa s HIS 69 Cb 0.10 -2.38 0.69 0.00 1.11 0.00 0.00 32.58 32.10 6cpa s HIS 69 CO 0.66 -0.63 1.78 0.66 -0.85 0.00 0.00 174.74 176.36 6cpa h SER 70 N 8.37 0.00 0.52 1.40 4.64 -1.65 -2.64 113.55 124.19 6cpa h SER 70 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 6cpa h SER 70 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 6cpa h SER 70 CO 0.64 0.41 0.00 -2.11 -0.87 0.00 0.00 176.83 174.90 6cpa n ARG 71 N -3.88 0.03 -1.67 4.77 1.85 -0.30 -4.24 116.66 113.23 6cpa n ARG 71 Ca -0.01 0.21 -0.40 0.00 -1.00 0.00 0.00 57.85 56.64 6cpa n ARG 71 Cb 0.46 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.36 6cpa n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 6cpa n GLU 72 N -1.47 3.65 0.24 2.89 1.02 -1.00 -4.82 120.64 121.16 6cpa n GLU 72 Ca 0.05 -2.70 0.14 0.00 -0.02 0.00 0.00 57.16 54.62 6cpa n GLU 72 Cb 0.18 -2.91 0.79 0.00 -0.02 0.00 0.00 31.44 29.48 6cpa n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 6cpa h TRP 73 N 5.26 0.00 -0.21 -0.32 4.06 -1.77 -0.81 115.95 122.16 6cpa h TRP 73 Ca 0.71 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.72 6cpa h TRP 73 Cb 0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 6cpa h TRP 73 CO 1.65 0.00 0.22 0.97 -3.56 0.00 0.00 178.44 177.73 6cpa h ILE 74 N 0.00 0.48 0.21 1.49 6.09 -1.87 -2.55 117.51 121.36 6cpa h ILE 74 Ca 0.04 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.25 6cpa h ILE 74 Cb 0.19 0.82 0.03 0.00 0.47 0.00 0.00 36.82 38.33 6cpa h ILE 74 CO -0.00 0.00 -1.23 0.71 -3.07 0.00 0.00 178.15 174.56 6cpa h THR 75 N 0.00 1.36 -0.22 2.19 1.35 -1.49 0.06 112.91 116.16 6cpa h THR 75 Ca 0.10 -2.62 -0.12 0.00 -0.55 0.00 0.00 66.41 63.22 6cpa h THR 75 Cb 0.55 3.07 -0.01 0.00 -1.73 0.00 0.00 68.15 70.02 6cpa h THR 75 CO -0.00 0.77 -0.38 1.56 -0.25 0.00 0.00 175.52 177.22 6cpa h GLN 76 N -0.02 0.51 -0.74 4.72 7.50 -1.68 -1.26 115.11 124.13 6cpa h GLN 76 Ca -0.21 -0.25 -0.03 0.00 0.50 0.00 0.00 58.65 58.66 6cpa h GLN 76 Cb 1.97 -0.00 -0.03 0.00 0.05 0.00 0.00 27.48 29.46 6cpa h GLN 76 CO 0.23 0.81 0.33 0.00 -1.50 0.00 0.00 178.83 178.70 6cpa h ALA 77 N 1.16 0.96 -0.51 3.87 0.00 -1.48 -2.34 119.26 120.92 6cpa h ALA 77 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 6cpa h ALA 77 Cb 0.86 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 6cpa h ALA 77 CO 0.07 0.55 0.11 1.15 0.00 0.00 0.00 179.25 181.13 6cpa h THR 78 N 1.05 1.22 -0.46 0.00 2.02 -0.67 -2.68 112.91 113.39 6cpa h THR 78 Ca 0.25 -0.82 -0.13 0.00 0.77 0.00 0.00 66.41 66.48 6cpa h THR 78 Cb 0.16 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 6cpa h THR 78 CO -0.03 0.30 -0.22 1.23 0.37 0.00 0.00 175.52 177.18 6cpa h GLY 79 N 0.95 1.02 0.66 2.16 0.00 -0.84 0.11 103.07 107.14 6cpa h GLY 79 Ca 0.17 -0.90 0.07 0.00 0.00 0.00 0.00 47.33 46.67 6cpa h GLY 79 CO 0.00 0.82 0.48 -2.08 0.00 0.00 0.00 176.54 175.76 6cpa h VAL 80 N 0.82 0.99 -0.37 4.60 2.07 -1.38 -1.71 116.25 121.26 6cpa h VAL 80 Ca 0.11 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 6cpa h VAL 80 Cb 0.78 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 6cpa h VAL 80 CO 0.06 0.16 -0.34 -0.25 0.02 0.00 0.00 177.57 177.23 6cpa h TRP 81 N 0.86 1.04 -0.55 1.57 7.01 -1.10 -2.70 115.95 122.07 6cpa h TRP 81 Ca 0.36 -0.31 0.11 0.00 2.11 0.00 0.00 58.89 61.16 6cpa h TRP 81 Cb 0.22 -0.22 -0.09 0.00 -2.10 0.00 0.00 29.16 26.97 6cpa h TRP 81 CO -0.05 1.11 0.06 0.74 -2.79 0.00 0.00 178.44 177.51 6cpa h PHE 82 N 0.68 0.08 -0.64 2.65 -1.00 -0.61 0.24 116.94 118.32 6cpa h PHE 82 Ca 0.06 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 6cpa h PHE 82 Cb 0.92 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.50 6cpa h PHE 82 CO 0.06 -0.08 0.35 0.00 -1.61 0.00 0.00 178.31 177.04 6cpa h ALA 83 N 1.47 0.82 -0.13 2.45 0.00 -1.13 -0.14 119.26 122.61 6cpa h ALA 83 Ca 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 6cpa h ALA 83 Cb 0.43 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 6cpa h ALA 83 CO -0.42 0.34 -0.00 -0.22 0.00 0.00 0.00 179.25 178.95 6cpa h LYS 84 N 0.88 0.22 -0.54 0.00 1.63 -1.32 -3.05 116.57 114.40 6cpa h LYS 84 Ca 0.23 -0.07 0.08 0.00 -0.85 0.00 0.00 60.65 60.04 6cpa h LYS 84 Cb 0.04 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 6cpa h LYS 84 CO -0.04 0.47 0.36 -0.22 -3.45 0.00 0.00 179.45 176.58 6cpa h LYS 85 N -0.05 0.37 -0.17 1.90 3.64 0.11 -2.02 116.57 120.34 6cpa h LYS 85 Ca 0.04 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 6cpa h LYS 85 Cb 0.37 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 6cpa h LYS 85 CO 0.01 0.25 -0.56 0.74 -2.27 0.00 0.00 179.45 177.62 6cpa h PHE 86 N 0.39 0.66 0.00 1.91 0.04 -0.93 -1.24 116.94 117.77 6cpa h PHE 86 Ca 0.24 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.78 6cpa h PHE 86 Cb 0.46 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.48 6cpa h PHE 86 CO -0.00 0.96 0.00 1.79 -0.60 0.00 0.00 178.31 180.46 6cpa h THR 87 N 0.40 0.00 0.23 -1.55 1.35 -1.35 -2.87 112.91 109.13 6cpa h THR 87 Ca 0.01 -0.66 -0.30 0.00 -0.55 0.00 0.00 66.41 64.90 6cpa h THR 87 Cb 1.09 1.63 0.04 0.00 -1.73 0.00 0.00 68.15 69.18 6cpa h THR 87 CO 0.10 0.00 -1.32 -0.33 -0.25 0.00 0.00 175.52 173.72 6cpa h GLU 88 N 0.00 0.49 0.00 4.72 5.08 -0.93 -3.38 114.58 120.56 6cpa h GLU 88 Ca 0.00 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 6cpa h GLU 88 Cb 0.73 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.29 6cpa h GLU 88 CO 0.00 1.40 -0.48 -0.91 -1.00 0.00 0.00 179.01 178.02 6cpa h ASN 89 N 0.02 0.00 -2.87 1.42 4.21 -1.28 -3.42 115.58 113.66 6cpa h ASN 89 Ca -0.23 -0.15 -0.56 0.00 1.21 0.00 0.00 56.30 56.57 6cpa h ASN 89 Cb 2.05 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 39.22 6cpa h ASN 89 CO 0.25 0.08 0.91 -0.47 -1.29 0.00 0.00 177.43 176.90 6cpa s TYR 90 N -3.16 2.70 0.00 1.19 5.04 -1.08 -0.81 117.35 121.23 6cpa s TYR 90 Ca 0.07 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 6cpa s TYR 90 Cb 0.13 -3.60 0.00 0.00 0.35 0.00 0.00 41.96 38.83 6cpa s TYR 90 CO 0.69 -2.22 0.00 0.41 -1.34 0.00 0.00 175.55 173.10 6cpa n GLY 91 N 3.70 0.76 1.00 8.97 0.00 -1.26 -4.85 105.19 113.51 6cpa n GLY 91 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 6cpa n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 6cpa n GLN 92 N -2.00 0.00 -2.90 1.61 1.13 -0.46 -4.98 117.38 109.78 6cpa n GLN 92 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 6cpa n GLN 92 Cb 0.00 -0.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.81 6cpa n GLN 92 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 6cpa s ASN 93 N -4.91 7.12 0.10 1.08 3.84 0.01 -4.96 114.94 117.22 6cpa s ASN 93 Ca 0.00 1.36 -0.23 0.00 0.21 0.00 0.00 52.86 54.20 6cpa s ASN 93 Cb 0.00 -2.47 -0.10 0.00 -0.55 0.00 0.00 41.25 38.12 6cpa s ASN 93 CO 0.00 -0.21 1.71 -0.65 -2.79 0.00 0.00 177.10 175.16 6cpa h PRO 94 N 6.85 -0.10 0.55 0.43 0.11 -1.93 -1.63 132.00 136.28 6cpa h PRO 94 Ca -0.39 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 6cpa h PRO 94 Cb 1.20 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 6cpa h PRO 94 CO 0.77 -0.07 -0.37 0.77 -0.21 0.00 0.00 178.00 178.89 6cpa h SER 95 N -0.10 -0.94 -0.46 -2.05 0.02 -1.96 -1.16 113.55 106.89 6cpa h SER 95 Ca 0.03 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.11 6cpa h SER 95 Cb 0.14 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 6cpa h SER 95 CO -0.08 -0.55 0.13 0.15 -1.14 0.00 0.00 176.83 175.34 6cpa h PHE 96 N -0.87 0.22 -0.94 3.45 3.04 -1.90 -1.86 116.94 118.08 6cpa h PHE 96 Ca -0.07 0.03 0.15 0.00 3.98 0.00 0.00 57.97 62.05 6cpa h PHE 96 Cb 0.71 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 39.11 6cpa h PHE 96 CO -0.08 0.05 0.60 1.15 -2.02 0.00 0.00 178.31 178.01 6cpa h THR 97 N 0.28 0.83 -0.03 4.41 2.02 -1.23 -1.67 112.91 117.51 6cpa h THR 97 Ca 0.22 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 6cpa h THR 97 Cb 0.26 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 6cpa h THR 97 CO -0.26 0.14 -0.57 0.00 0.37 0.00 0.00 175.52 175.19 6cpa h ALA 98 N 1.59 0.98 0.34 6.16 0.00 -0.54 -1.14 119.26 126.66 6cpa h ALA 98 Ca 0.48 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 6cpa h ALA 98 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 6cpa h ALA 98 CO -0.24 0.71 -0.16 0.82 0.00 0.00 0.00 179.25 180.37 6cpa h ILE 99 N 0.08 0.63 0.00 0.00 2.04 -0.56 -3.25 117.51 116.45 6cpa h ILE 99 Ca -0.00 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.30 6cpa h ILE 99 Cb 1.03 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 6cpa h ILE 99 CO 0.08 0.10 0.00 -0.07 0.00 0.00 0.00 178.15 178.26 6cpa h LEU 100 N -0.79 0.00 -0.86 1.44 3.38 -1.38 0.17 115.31 117.27 6cpa h LEU 100 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 6cpa h LEU 100 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 6cpa h LEU 100 CO 0.08 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.05 6cpa h ASP 101 N 0.00 0.00 0.00 -0.43 5.19 -1.24 -3.35 116.42 116.59 6cpa h ASP 101 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 6cpa h ASP 101 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 6cpa h ASP 101 CO 0.00 0.00 -0.45 -1.20 -3.12 0.00 0.00 179.24 174.47 6cpa n SER 102 N -3.05 1.99 -4.17 6.45 7.64 -0.62 -4.98 113.62 116.88 6cpa n SER 102 Ca 0.02 -0.31 -0.12 0.00 1.01 0.00 0.00 58.87 59.48 6cpa n SER 102 Cb 0.39 1.02 -0.10 0.00 -1.01 0.00 0.00 64.21 64.50 6cpa n SER 102 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 6cpa s MET 103 N -1.48 0.84 0.19 1.43 -1.94 0.52 -4.31 119.30 114.54 6cpa s MET 103 Ca 0.00 -1.28 0.05 0.00 -1.71 0.00 0.00 55.69 52.75 6cpa s MET 103 Cb 0.01 -0.32 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 6cpa s MET 103 CO 0.03 0.01 0.22 -0.51 -0.01 0.00 0.00 175.02 174.77 6cpa s ASP 104 N -2.86 5.85 -0.10 3.03 1.01 -0.83 -4.27 116.67 118.49 6cpa s ASP 104 Ca 0.10 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.33 6cpa s ASP 104 Cb 0.03 -1.62 0.01 0.00 1.01 0.00 0.00 42.92 42.35 6cpa s ASP 104 CO -0.03 0.02 -0.16 -0.63 0.21 0.00 0.00 175.17 174.58 6cpa s ILE 105 N -1.85 1.55 -0.17 0.77 1.01 -0.79 -1.74 121.20 119.98 6cpa s ILE 105 Ca 0.33 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 6cpa s ILE 105 Cb -0.10 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 6cpa s ILE 105 CO 0.26 0.45 0.02 -0.36 0.00 0.00 0.00 174.94 175.30 6cpa s PHE 106 N 0.87 3.14 -0.15 3.97 0.40 0.11 -0.04 117.98 126.29 6cpa s PHE 106 Ca -0.09 -0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 6cpa s PHE 106 Cb -0.15 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.38 6cpa s PHE 106 CO 0.00 0.05 -0.09 -1.17 0.70 0.00 0.00 175.22 174.70 6cpa s LEU 107 N 0.41 1.62 -0.41 -0.37 2.96 0.46 -0.48 118.68 122.87 6cpa s LEU 107 Ca -0.00 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 6cpa s LEU 107 Cb -0.13 -1.02 0.11 0.00 0.50 0.00 0.00 46.19 45.64 6cpa s LEU 107 CO 0.02 -0.12 0.21 -0.70 -1.32 0.00 0.00 176.35 174.44 6cpa s GLU 108 N 1.57 2.08 0.13 1.98 2.12 -0.23 0.17 118.70 126.52 6cpa s GLU 108 Ca 0.03 -1.79 -0.12 0.00 0.36 0.00 0.00 54.97 53.46 6cpa s GLU 108 Cb -0.14 -3.61 -0.07 0.00 0.26 0.00 0.00 34.13 30.57 6cpa s GLU 108 CO -0.09 -1.07 1.43 0.82 -0.54 0.00 0.00 175.26 175.82 6cpa h ILE 109 N 6.33 1.27 -3.37 -3.70 2.04 -1.82 -0.72 117.51 117.55 6cpa h ILE 109 Ca -0.14 -1.65 -0.64 0.00 1.00 0.00 0.00 64.86 63.43 6cpa h ILE 109 Cb 1.05 1.52 -0.41 0.00 -0.74 0.00 0.00 36.82 38.25 6cpa h ILE 109 CO 0.71 0.54 -0.68 -0.69 0.00 0.00 0.00 178.15 178.04 6cpa s VAL 110 N -4.25 2.21 -0.16 1.67 1.01 -1.26 -4.18 120.40 115.44 6cpa s VAL 110 Ca -0.11 -2.86 0.24 0.00 0.00 0.00 0.00 61.98 59.25 6cpa s VAL 110 Cb 0.10 -2.57 0.28 0.00 0.00 0.00 0.00 36.38 34.19 6cpa s VAL 110 CO 0.89 -0.76 1.70 0.74 0.00 0.00 0.00 175.10 177.66 6cpa h THR 111 N 5.76 0.27 -2.68 3.92 2.02 -1.44 -3.36 112.91 117.40 6cpa h THR 111 Ca -0.06 -1.15 -0.60 0.00 0.77 0.00 0.00 66.41 65.36 6cpa h THR 111 Cb 0.93 1.93 -0.41 0.00 -1.74 0.00 0.00 68.15 68.87 6cpa h THR 111 CO 0.60 0.14 -0.73 -3.20 0.37 0.00 0.00 175.52 172.70 6cpa n ASN 112 N -3.18 1.95 -0.01 4.18 4.05 -1.16 -4.89 115.26 116.21 6cpa n ASN 112 Ca 0.02 -2.98 0.00 0.00 0.45 0.00 0.00 54.58 52.08 6cpa n ASN 112 Cb 0.50 -0.68 0.31 0.00 1.23 0.00 0.00 39.78 41.14 6cpa n ASN 112 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 6cpa h PRO 113 N 5.18 0.54 -0.16 1.20 0.13 -1.90 -2.54 132.00 134.46 6cpa h PRO 113 Ca 0.18 -0.10 -0.18 0.00 -0.87 0.00 0.00 66.00 65.04 6cpa h PRO 113 Cb 0.79 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 6cpa h PRO 113 CO 0.62 0.54 -0.62 -0.91 -0.23 0.00 0.00 178.00 177.39 6cpa h ASN 114 N 0.53 0.64 -0.53 1.44 -0.26 -1.95 -1.97 115.58 113.47 6cpa h ASN 114 Ca 0.12 -0.37 -0.10 0.00 -0.56 0.00 0.00 56.30 55.38 6cpa h ASN 114 Cb 0.27 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 6cpa h ASN 114 CO 0.00 1.10 -0.07 1.23 -1.06 0.00 0.00 177.43 178.64 6cpa h GLY 115 N 1.04 1.08 0.95 2.83 0.00 -1.75 -2.53 103.07 104.70 6cpa h GLY 115 Ca -0.01 -0.83 -0.06 0.00 0.00 0.00 0.00 47.33 46.43 6cpa h GLY 115 CO 0.12 0.77 0.03 -2.75 0.00 0.00 0.00 176.54 174.70 6cpa h PHE 116 N 0.90 0.77 -0.64 5.60 3.04 -1.08 -1.81 116.94 123.73 6cpa h PHE 116 Ca 0.15 -0.12 0.12 0.00 3.98 0.00 0.00 57.97 62.10 6cpa h PHE 116 Cb 0.62 -0.21 -0.09 0.00 2.56 0.00 0.00 35.95 38.83 6cpa h PHE 116 CO 0.04 0.76 0.15 0.00 -2.02 0.00 0.00 178.31 177.24 6cpa h ALA 117 N 0.91 0.78 -0.27 2.41 0.00 -1.34 -2.39 119.26 119.37 6cpa h ALA 117 Ca 0.12 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 6cpa h ALA 117 Cb 0.43 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 6cpa h ALA 117 CO 0.02 -0.30 0.06 0.35 0.00 0.00 0.00 179.25 179.37 6cpa h PHE 118 N 0.28 0.39 0.00 0.00 3.04 -0.98 0.65 116.94 120.31 6cpa h PHE 118 Ca 0.34 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.26 6cpa h PHE 118 Cb 0.53 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 6cpa h PHE 118 CO -0.25 0.35 -0.10 1.79 -2.02 0.00 0.00 178.31 178.09 6cpa h THR 119 N 0.39 0.23 0.18 4.41 1.35 -0.83 -0.26 112.91 118.37 6cpa h THR 119 Ca 0.09 -0.84 -0.35 0.00 -0.55 0.00 0.00 66.41 64.76 6cpa h THR 119 Cb 0.16 1.69 0.01 0.00 -1.73 0.00 0.00 68.15 68.28 6cpa h THR 119 CO -0.00 0.10 -1.75 0.45 -0.25 0.00 0.00 175.52 174.07 6cpa h HIS 120 N 0.00 0.69 0.00 4.73 3.86 -0.92 -3.30 115.15 120.21 6cpa h HIS 120 Ca -0.00 -0.50 -0.11 0.00 -1.16 0.00 0.00 60.37 58.60 6cpa h HIS 120 Cb 0.68 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 6cpa h HIS 120 CO 0.00 1.66 -1.14 0.66 0.86 0.00 0.00 177.93 179.96 6cpa h SER 121 N 0.10 0.00 0.00 2.45 4.64 -0.75 -3.45 113.55 116.54 6cpa h SER 121 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 6cpa h SER 121 Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 6cpa h SER 121 CO 0.17 0.38 0.00 -0.62 -0.87 0.00 0.00 176.83 175.89 6cpa n GLU 122 N -2.87 0.00 -3.40 4.77 1.02 -0.42 -5.07 120.64 114.67 6cpa n GLU 122 Ca -0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.94 6cpa n GLU 122 Cb 0.73 -0.22 -0.10 0.00 -0.02 0.00 0.00 31.44 31.83 6cpa n GLU 122 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 6cpa s ASN 123 N -1.98 1.10 0.64 1.62 3.84 -0.24 -5.01 114.94 114.91 6cpa s ASN 123 Ca 0.00 -0.32 0.38 0.00 0.21 0.00 0.00 52.86 53.13 6cpa s ASN 123 Cb 0.00 0.69 2.17 0.00 -0.55 0.00 0.00 41.25 43.56 6cpa s ASN 123 CO 0.00 -0.35 2.32 -0.09 -2.79 0.00 0.00 177.10 176.20 6cpa h ARG 124 N 8.25 0.00 -0.36 0.43 9.65 -1.80 -2.47 114.38 128.08 6cpa h ARG 124 Ca -0.15 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.63 6cpa h ARG 124 Cb 1.12 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.64 6cpa h ARG 124 CO 0.30 0.00 0.02 1.28 2.80 0.00 0.00 179.97 184.37 6cpa n LEU 125 N -3.41 4.27 -4.72 3.80 4.77 -1.26 -4.51 117.00 115.94 6cpa n LEU 125 Ca -0.03 -3.30 -0.42 0.00 -0.03 0.00 0.00 56.01 52.24 6cpa n LEU 125 Cb 0.08 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 6cpa n LEU 125 CO 0.23 0.88 1.02 0.86 -1.33 0.00 0.00 177.39 179.05 6cpa s TRP 126 N -3.00 3.27 -0.16 -1.77 -0.11 -0.93 -4.83 118.94 111.42 6cpa s TRP 126 Ca 0.45 1.08 0.05 0.00 1.22 0.00 0.00 56.10 58.90 6cpa s TRP 126 Cb 0.38 -3.63 -0.13 0.00 -1.50 0.00 0.00 33.47 28.59 6cpa s TRP 126 CO 0.07 -2.10 -0.09 -2.13 -4.62 0.00 0.00 176.95 168.08 6cpa n ARG 127 N 3.45 0.87 -2.13 5.86 0.63 -1.26 -1.14 116.66 122.93 6cpa n ARG 127 Ca 0.09 0.06 -0.23 0.00 -0.92 0.00 0.00 57.85 56.86 6cpa n ARG 127 Cb 0.43 -1.34 0.13 0.00 0.45 0.00 0.00 32.46 32.14 6cpa n ARG 127 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 6cpa n LYS 128 N -2.83 -0.43 -0.21 -0.14 5.02 -1.26 -3.11 118.16 115.19 6cpa n LYS 128 Ca -0.27 -2.23 -0.05 0.00 -2.02 0.00 0.00 58.31 53.74 6cpa n LYS 128 Cb 0.85 -0.82 0.04 0.00 -0.02 0.00 0.00 35.03 35.08 6cpa n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 6cpa n THR 129 N -3.04 0.00 -0.64 -0.18 -2.24 -0.11 -4.48 114.28 103.59 6cpa n THR 129 Ca 0.15 -0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 6cpa n THR 129 Cb 0.53 -1.22 0.13 0.00 -2.10 0.00 0.00 70.33 67.66 6cpa n THR 129 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 6cpa n ARG 130 N -1.95 2.28 -2.40 -0.78 3.00 -1.26 -4.01 116.66 111.54 6cpa n ARG 130 Ca 0.03 -2.26 -0.35 0.00 -0.00 0.00 0.00 57.85 55.26 6cpa n ARG 130 Cb 0.10 -1.40 -0.02 0.00 0.00 0.00 0.00 32.46 31.14 6cpa n ARG 130 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 6cpa s SER 131 N -1.93 6.21 -0.03 6.15 0.01 -1.26 -4.59 113.70 118.26 6cpa s SER 131 Ca 0.24 2.10 0.04 0.00 1.31 0.00 0.00 55.95 59.64 6cpa s SER 131 Cb 0.19 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 6cpa s SER 131 CO 0.05 -0.88 -0.14 -0.69 0.41 0.00 0.00 173.24 171.99 6cpa s VAL 132 N -1.77 3.12 0.21 3.43 1.01 -1.26 -0.44 120.40 124.70 6cpa s VAL 132 Ca 0.66 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 6cpa s VAL 132 Cb -0.22 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 6cpa s VAL 132 CO 0.26 0.52 0.37 -0.89 0.00 0.00 0.00 175.10 175.36 6cpa s THR 133 N -0.80 0.03 0.00 3.92 2.01 -1.26 -5.06 115.64 114.47 6cpa s THR 133 Ca 0.13 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.71 6cpa s THR 133 Cb -0.11 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.35 6cpa s THR 133 CO 0.02 -0.12 0.00 -1.54 -0.69 0.00 0.00 174.62 172.29 6cpa n SER 134 N -0.30 0.00 -0.16 3.53 3.41 -1.26 -3.56 113.62 115.28 6cpa n SER 134 Ca -0.04 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.71 6cpa n SER 134 Cb 0.63 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.23 6cpa n SER 134 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 6cpa n SER 135 N 7.93 0.58 -3.65 4.04 3.41 -1.26 -4.90 113.62 119.76 6cpa n SER 135 Ca 0.00 -0.81 -0.15 0.00 -0.26 0.00 0.00 58.87 57.65 6cpa n SER 135 Cb 0.00 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 6cpa n SER 135 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 6cpa s SER 136 N -2.31 -0.42 -0.15 4.04 0.15 -1.23 -4.98 113.70 108.79 6cpa s SER 136 Ca 0.34 0.45 0.05 0.00 0.70 0.00 0.00 55.95 57.48 6cpa s SER 136 Cb 0.21 0.48 0.35 0.00 -1.71 0.00 0.00 66.02 65.34 6cpa s SER 136 CO 0.43 -0.49 1.20 0.18 1.20 0.00 0.00 173.24 175.76 6cpa n LEU 137 N 1.25 3.76 -4.52 3.45 4.32 -1.26 -4.65 117.00 119.35 6cpa n LEU 137 Ca -0.20 -1.93 -0.34 0.00 -0.02 0.00 0.00 56.01 53.52 6cpa n LEU 137 Cb 0.56 -0.61 -0.12 0.00 -1.62 0.00 0.00 43.42 41.63 6cpa n LEU 137 CO 0.22 0.55 -0.36 0.00 -1.22 0.00 0.00 177.39 176.57 6cpa s VAL 139 N -0.05 4.75 0.00 0.00 1.01 -1.26 -4.80 120.40 120.06 6cpa s VAL 139 Ca 0.01 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.81 6cpa s VAL 139 Cb -0.13 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.62 6cpa s VAL 139 CO 0.03 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.61 6cpa n GLY 140 N -0.22 1.24 3.37 4.51 0.00 0.42 -4.93 105.19 109.58 6cpa n GLY 140 Ca 0.02 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 6cpa n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 6cpa s VAL 141 N -1.56 2.38 -0.43 1.61 1.01 -1.26 -4.83 120.40 117.31 6cpa s VAL 141 Ca 0.00 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 60.56 6cpa s VAL 141 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 6cpa s VAL 141 CO 0.00 0.47 2.05 -0.62 0.00 0.00 0.00 175.10 177.00 6cpa s ASP 142 N -0.97 5.26 0.14 3.32 -1.08 -0.24 -0.94 116.67 122.16 6cpa s ASP 142 Ca 0.12 1.08 0.20 0.00 -0.52 0.00 0.00 52.55 53.42 6cpa s ASP 142 Cb -0.10 -2.52 0.82 0.00 -1.46 0.00 0.00 42.92 39.66 6cpa s ASP 142 CO 0.01 -2.25 1.60 0.00 0.52 0.00 0.00 175.17 175.05 6cpa n ALA 143 N 12.71 1.66 -0.54 3.66 0.00 -1.26 -1.22 120.51 135.51 6cpa n ALA 143 Ca 0.27 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 6cpa n ALA 143 Cb 0.50 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.80 6cpa n ALA 143 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 6cpa n ASN 144 N -1.91 3.75 -0.01 0.00 5.15 -1.26 -3.62 115.26 117.36 6cpa n ASN 144 Ca 0.03 -3.04 0.00 0.00 -0.60 0.00 0.00 54.58 50.97 6cpa n ASN 144 Cb 0.20 -0.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 6cpa n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 6cpa n ARG 145 N -0.41 0.96 -0.08 1.20 3.00 -0.36 -3.67 116.66 117.30 6cpa n ARG 145 Ca 0.38 -0.83 0.09 0.00 -0.01 0.00 0.00 57.85 57.48 6cpa n ARG 145 Cb 1.25 -0.66 0.13 0.00 0.00 0.00 0.00 32.46 33.17 6cpa n ARG 145 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 6cpa n ASN 146 N -0.17 2.82 -4.91 0.55 4.05 -1.11 -4.45 115.26 112.03 6cpa n ASN 146 Ca 0.00 -1.84 -0.27 0.00 0.45 0.00 0.00 54.58 52.93 6cpa n ASN 146 Cb 0.42 -0.10 -0.02 0.00 1.23 0.00 0.00 39.78 41.31 6cpa n ASN 146 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 6cpa s TRP 147 N -1.41 3.51 -1.30 1.20 0.52 -0.65 -0.22 118.94 120.60 6cpa s TRP 147 Ca 0.26 0.63 -0.09 0.00 0.02 0.00 0.00 56.10 56.93 6cpa s TRP 147 Cb 0.17 -2.12 0.15 0.00 -1.15 0.00 0.00 33.47 30.52 6cpa s TRP 147 CO 0.24 -0.00 2.00 -3.47 0.02 0.00 0.00 176.95 175.74 6cpa n ASP 148 N -1.64 5.71 -3.55 2.95 4.64 -1.26 -4.26 116.55 119.14 6cpa n ASP 148 Ca -0.02 -3.11 -0.22 0.00 -1.38 0.00 0.00 54.79 50.07 6cpa n ASP 148 Cb 0.55 -1.46 -0.15 0.00 -1.04 0.00 0.00 41.12 39.02 6cpa n ASP 148 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 6cpa s ALA 149 N 0.13 0.05 -2.04 -1.67 0.00 -1.26 -4.74 121.76 112.23 6cpa s ALA 149 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.38 6cpa s ALA 149 Cb 0.12 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 22.04 6cpa s ALA 149 CO -0.02 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 174.96 6cpa n GLY 150 N 5.30 0.90 3.63 0.00 0.00 -1.26 -0.79 105.19 112.98 6cpa n GLY 150 Ca -0.06 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.46 6cpa n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 6cpa n PHE 151 N -3.10 1.89 0.00 1.61 7.35 -1.26 -2.02 117.46 121.92 6cpa n PHE 151 Ca -0.23 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 6cpa n PHE 151 Cb 0.69 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 38.08 6cpa n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 6cpa n GLY 152 N 3.09 1.95 3.75 7.13 0.00 -1.26 -4.98 105.19 114.87 6cpa n GLY 152 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 6cpa n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6cpa s LYS 153 N -0.50 0.38 0.32 1.61 1.02 -0.86 -4.94 119.74 116.78 6cpa s LYS 153 Ca 0.00 0.09 -0.28 0.00 0.02 0.00 0.00 55.97 55.80 6cpa s LYS 153 Cb 0.00 -1.77 -0.13 0.00 -0.52 0.00 0.00 37.83 35.41 6cpa s LYS 153 CO 0.00 -2.67 1.18 0.00 -0.92 0.00 0.00 175.35 172.94 6cpa n ALA 154 N -4.06 0.68 0.00 5.17 0.00 -1.26 -3.13 120.51 117.91 6cpa n ALA 154 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.91 6cpa n ALA 154 Cb 0.59 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.88 6cpa n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 6cpa n GLY 155 N 0.95 1.30 3.36 0.00 0.00 -1.26 -3.88 105.19 105.67 6cpa n GLY 155 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 6cpa n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6cpa s ALA 156 N -2.00 -1.20 0.11 4.61 0.00 -1.19 -1.47 121.76 120.63 6cpa s ALA 156 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.46 6cpa s ALA 156 Cb 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 6cpa s ALA 156 CO 0.00 -0.49 0.24 0.45 0.00 0.00 0.00 175.76 175.97 6cpa s SER 157 N -1.99 6.32 0.00 0.00 0.15 -0.76 -4.94 113.70 112.48 6cpa s SER 157 Ca -0.05 0.20 0.20 0.00 0.70 0.00 0.00 55.95 57.01 6cpa s SER 157 Cb -0.01 -1.91 -0.10 0.00 -1.71 0.00 0.00 66.02 62.29 6cpa s SER 157 CO -0.02 0.11 0.95 -1.54 1.20 0.00 0.00 173.24 173.93 6cpa n SER 158 N -0.16 1.51 -4.75 5.45 3.41 -1.26 -1.89 113.62 115.93 6cpa n SER 158 Ca -0.06 -1.26 -0.40 0.00 -0.26 0.00 0.00 58.87 56.90 6cpa n SER 158 Cb 0.53 0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 65.12 6cpa n SER 158 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 6cpa s SER 159 N -2.56 7.17 0.62 4.04 1.04 -1.26 -4.92 113.70 117.82 6cpa s SER 159 Ca 0.13 1.39 0.33 0.00 0.48 0.00 0.00 55.95 58.29 6cpa s SER 159 Cb 0.16 -2.45 1.93 0.00 0.10 0.00 0.00 66.02 65.76 6cpa s SER 159 CO 0.65 0.02 2.22 -0.65 0.98 0.00 0.00 173.24 176.46 6cpa h PRO 160 N 5.72 0.00 -0.00 4.02 0.11 -1.94 -1.26 132.00 138.64 6cpa h PRO 160 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 6cpa h PRO 160 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 6cpa h PRO 160 CO 0.71 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.21 6cpa s SER 162 N -2.75 6.37 0.24 0.00 0.15 -0.48 -4.91 113.70 112.32 6cpa s SER 162 Ca 0.19 2.00 0.24 0.00 0.70 0.00 0.00 55.95 59.07 6cpa s SER 162 Cb 0.19 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.87 6cpa s SER 162 CO 0.58 -0.76 1.71 1.21 1.20 0.00 0.00 173.24 177.18 6cpa n GLU 163 N -0.76 0.19 -0.21 5.44 2.13 -1.26 -2.56 120.64 123.62 6cpa n GLU 163 Ca 0.08 0.39 0.06 0.00 0.66 0.00 0.00 57.16 58.35 6cpa n GLU 163 Cb 0.51 -1.85 0.16 0.00 0.27 0.00 0.00 31.44 30.53 6cpa n GLU 163 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 6cpa n THR 164 N -2.21 1.59 -1.91 6.31 5.66 -1.26 -4.45 114.28 118.01 6cpa n THR 164 Ca 0.03 -1.54 -0.42 0.00 -3.05 0.00 0.00 64.05 59.07 6cpa n THR 164 Cb 0.25 0.11 -0.02 0.00 -1.55 0.00 0.00 70.33 69.12 6cpa n THR 164 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 6cpa s TYR 165 N -1.96 2.95 -0.68 1.09 5.04 -1.06 -1.82 117.35 120.91 6cpa s TYR 165 Ca 0.27 0.83 0.24 0.00 -2.44 0.00 0.00 57.07 55.97 6cpa s TYR 165 Cb 0.20 -3.93 0.37 0.00 0.35 0.00 0.00 41.96 38.94 6cpa s TYR 165 CO 0.08 -3.19 1.33 -2.39 -1.34 0.00 0.00 175.55 170.04 6cpa n HIS 166 N 2.76 0.49 0.00 4.97 1.44 -0.79 -1.08 115.22 123.01 6cpa n HIS 166 Ca 0.09 0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 6cpa n HIS 166 Cb 0.39 -0.61 0.00 0.00 0.12 0.00 0.00 29.99 29.89 6cpa n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 6cpa n GLY 167 N 1.36 1.05 0.15 -1.39 0.00 -1.26 -4.26 105.19 100.83 6cpa n GLY 167 Ca 0.03 -1.94 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 6cpa n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 6cpa h LYS 168 N 0.00 0.00 -2.46 1.61 1.57 -1.98 -3.46 116.57 111.85 6cpa h LYS 168 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 6cpa h LYS 168 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.18 6cpa h LYS 168 CO 0.00 0.58 0.43 1.52 -0.57 0.00 0.00 179.45 181.40 6cpa s TYR 169 N -3.60 -0.33 0.41 -1.35 -0.85 -1.26 -5.11 117.35 105.26 6cpa s TYR 169 Ca -0.01 0.13 -0.27 0.00 -0.52 0.00 0.00 57.07 56.41 6cpa s TYR 169 Cb 0.12 0.57 -0.09 0.00 0.38 0.00 0.00 41.96 42.94 6cpa s TYR 169 CO 0.75 -0.69 1.44 0.00 -1.52 0.00 0.00 175.55 175.53 6cpa s ALA 170 N -3.31 3.39 -1.57 9.51 0.00 -1.26 -2.58 121.76 125.95 6cpa s ALA 170 Ca 0.06 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.51 6cpa s ALA 170 Cb -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.52 6cpa s ALA 170 CO -0.07 -1.10 0.00 0.09 0.00 0.00 0.00 175.76 174.68 6cpa n ASN 171 N 0.12 -4.78 0.21 0.00 5.03 0.70 -4.86 115.26 111.69 6cpa n ASN 171 Ca 0.03 0.37 0.05 0.00 0.87 0.00 0.00 54.58 55.90 6cpa n ASN 171 Cb 0.41 -3.58 0.48 0.00 -1.02 0.00 0.00 39.78 36.07 6cpa n ASN 171 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 6cpa h SER 172 N 0.00 0.00 -3.30 6.41 4.64 -1.74 -3.40 113.55 116.16 6cpa h SER 172 Ca -0.30 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.46 6cpa h SER 172 Cb 0.96 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.01 6cpa h SER 172 CO 0.44 0.25 0.44 -1.61 -0.87 0.00 0.00 176.83 175.48 6cpa s GLU 173 N -4.36 4.41 0.45 4.77 0.41 -1.26 -4.94 118.70 118.18 6cpa s GLU 173 Ca -0.03 1.23 0.20 0.00 -0.41 0.00 0.00 54.97 55.95 6cpa s GLU 173 Cb 0.15 -3.53 1.08 0.00 -1.78 0.00 0.00 34.13 30.05 6cpa s GLU 173 CO 0.69 -0.24 1.96 -0.24 -0.49 0.00 0.00 175.26 176.94 6cpa h VAL 174 N 5.05 0.91 -0.79 2.63 3.04 -1.91 -0.62 116.25 124.57 6cpa h VAL 174 Ca -0.33 -0.83 -0.02 0.00 -1.01 0.00 0.00 66.70 64.51 6cpa h VAL 174 Cb 1.16 1.48 -0.04 0.00 -2.01 0.00 0.00 31.29 31.88 6cpa h VAL 174 CO 0.83 0.22 0.43 -0.33 -1.01 0.00 0.00 177.57 177.70 6cpa h GLU 175 N 0.00 1.09 0.06 4.17 3.07 -1.90 -0.47 114.58 120.60 6cpa h GLU 175 Ca -0.00 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 6cpa h GLU 175 Cb 0.46 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 6cpa h GLU 175 CO 0.03 0.80 -0.03 0.28 -1.40 0.00 0.00 179.01 178.69 6cpa h VAL 176 N 1.10 1.26 -0.56 3.13 2.07 -1.66 -3.32 116.25 118.26 6cpa h VAL 176 Ca 0.28 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.58 6cpa h VAL 176 Cb 0.03 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 6cpa h VAL 176 CO -0.04 0.30 0.37 0.50 0.02 0.00 0.00 177.57 178.72 6cpa h LYS 177 N -0.66 0.64 -0.88 1.57 3.64 -0.99 -1.63 116.57 118.27 6cpa h LYS 177 Ca -0.01 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 6cpa h LYS 177 Cb 0.56 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 6cpa h LYS 177 CO 0.01 0.43 0.54 0.77 -2.27 0.00 0.00 179.45 178.93 6cpa h SER 178 N 0.66 0.81 -0.20 4.20 0.02 -1.21 0.03 113.55 117.87 6cpa h SER 178 Ca 0.22 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 6cpa h SER 178 Cb 0.07 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.48 6cpa h SER 178 CO -0.06 0.49 -0.39 0.40 -1.14 0.00 0.00 176.83 176.13 6cpa h ILE 179 N 0.93 1.33 -0.24 3.27 2.04 -1.44 -2.31 117.51 121.09 6cpa h ILE 179 Ca 0.40 -1.61 0.03 0.00 1.00 0.00 0.00 64.86 64.68 6cpa h ILE 179 Cb 0.28 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 6cpa h ILE 179 CO -0.21 0.50 0.03 0.58 0.00 0.00 0.00 178.15 179.05 6cpa h VAL 180 N 0.30 0.87 -0.46 1.67 2.07 -0.92 0.45 116.25 120.23 6cpa h VAL 180 Ca 0.01 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 6cpa h VAL 180 Cb 0.99 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 6cpa h VAL 180 CO 0.09 0.02 0.28 0.44 0.02 0.00 0.00 177.57 178.42 6cpa h ASP 181 N 0.12 0.55 -0.37 0.57 3.32 -1.08 -1.80 116.42 117.73 6cpa h ASP 181 Ca 0.11 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 6cpa h ASP 181 Cb 0.12 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 6cpa h ASP 181 CO -0.16 0.44 0.15 0.15 -1.72 0.00 0.00 179.24 178.10 6cpa h PHE 182 N 0.62 0.56 -0.33 4.55 3.04 -1.18 -0.74 116.94 123.46 6cpa h PHE 182 Ca 0.17 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 6cpa h PHE 182 Cb -0.01 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 6cpa h PHE 182 CO -0.03 0.51 -0.15 0.28 -2.02 0.00 0.00 178.31 176.90 6cpa h VAL 183 N 0.45 1.25 -0.12 1.41 2.07 -0.75 -1.64 116.25 118.92 6cpa h VAL 183 Ca 0.12 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.42 6cpa h VAL 183 Cb 0.19 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 6cpa h VAL 183 CO -0.01 0.37 -0.30 0.11 0.02 0.00 0.00 177.57 177.76 6cpa h LYS 184 N 0.53 0.42 -0.46 1.57 1.57 -1.30 -2.18 116.57 116.73 6cpa h LYS 184 Ca 0.09 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 6cpa h LYS 184 Cb 0.56 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 6cpa h LYS 184 CO 0.04 0.90 0.16 -0.97 -0.57 0.00 0.00 179.45 179.01 6cpa h ASN 185 N 0.01 0.60 0.07 0.86 -1.24 -1.12 -2.80 115.58 111.96 6cpa h ASN 185 Ca -0.00 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 6cpa h ASN 185 Cb 0.91 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.81 6cpa h ASN 185 CO 0.07 0.56 -0.04 -0.74 -1.29 0.00 0.00 177.43 175.99 6cpa h HIS 186 N 0.65 -0.09 0.00 0.67 2.76 -1.28 -3.47 115.15 114.39 6cpa h HIS 186 Ca 0.16 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 6cpa h HIS 186 Cb 0.16 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.15 6cpa h HIS 186 CO 0.01 0.09 0.00 0.41 -1.30 0.00 0.00 177.93 177.14 6cpa n GLY 187 N -0.68 0.45 2.62 5.26 0.00 -0.83 -4.89 105.19 107.12 6cpa n GLY 187 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 6cpa n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 6cpa n ASN 188 N -0.18 2.47 -4.73 1.61 5.15 -1.26 -5.08 115.26 113.22 6cpa n ASN 188 Ca 0.00 -2.51 -0.41 0.00 -0.60 0.00 0.00 54.58 51.06 6cpa n ASN 188 Cb 0.09 -0.45 -0.04 0.00 -0.53 0.00 0.00 39.78 38.85 6cpa n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 6cpa s PHE 189 N -3.73 3.72 -0.05 1.20 0.40 -1.26 -1.31 117.98 116.95 6cpa s PHE 189 Ca 0.33 1.71 0.11 0.00 -0.60 0.00 0.00 56.93 58.48 6cpa s PHE 189 Cb 0.35 -3.16 -0.16 0.00 0.51 0.00 0.00 43.02 40.56 6cpa s PHE 189 CO -0.02 -0.18 0.25 1.63 0.70 0.00 0.00 175.22 177.60 6cpa n LYS 190 N 2.48 0.56 -3.92 0.44 4.76 0.71 -4.75 118.16 118.44 6cpa n LYS 190 Ca 0.02 -0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.27 6cpa n LYS 190 Cb 0.47 -1.24 -0.11 0.00 -1.84 0.00 0.00 35.03 32.32 6cpa n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 6cpa s ALA 191 N -2.69 -0.11 -0.16 7.82 0.00 -1.18 -3.38 121.76 122.07 6cpa s ALA 191 Ca -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 6cpa s ALA 191 Cb 0.07 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.34 6cpa s ALA 191 CO 0.44 -0.16 0.07 0.12 0.00 0.00 0.00 175.76 176.23 6cpa s PHE 192 N -1.22 0.38 -0.12 0.00 2.19 -0.43 -1.85 117.98 116.94 6cpa s PHE 192 Ca -0.13 -0.39 0.02 0.00 0.33 0.00 0.00 56.93 56.76 6cpa s PHE 192 Cb -0.08 -0.76 -0.00 0.00 -1.31 0.00 0.00 43.02 40.87 6cpa s PHE 192 CO 0.00 -0.51 -0.20 -0.51 1.83 0.00 0.00 175.22 175.84 6cpa s LEU 193 N 2.07 2.32 -0.13 6.12 1.02 -0.12 -1.22 118.68 128.75 6cpa s LEU 193 Ca 0.02 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.69 6cpa s LEU 193 Cb -0.16 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.58 6cpa s LEU 193 CO -0.08 0.15 -0.15 -0.55 0.02 0.00 0.00 176.35 175.74 6cpa s SER 194 N 0.40 2.60 -0.21 2.29 0.15 -0.39 -1.30 113.70 117.25 6cpa s SER 194 Ca -0.15 -0.46 -0.07 0.00 0.70 0.00 0.00 55.95 55.97 6cpa s SER 194 Cb -0.17 -1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.96 6cpa s SER 194 CO 0.07 -0.03 0.07 -0.63 1.20 0.00 0.00 173.24 173.92 6cpa s ILE 195 N 1.30 4.63 0.49 6.45 1.01 -0.20 -2.21 121.20 132.66 6cpa s ILE 195 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.60 6cpa s ILE 195 Cb -0.14 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 6cpa s ILE 195 CO -0.07 0.41 0.01 -1.00 0.00 0.00 0.00 174.94 174.29 6cpa s HIS 196 N 0.85 1.97 0.07 3.97 3.76 0.22 -3.82 115.29 122.31 6cpa s HIS 196 Ca 0.04 -0.93 0.02 0.00 -0.15 0.00 0.00 55.06 54.04 6cpa s HIS 196 Cb -0.14 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 6cpa s HIS 196 CO 0.02 0.24 -0.07 -1.54 -0.85 0.00 0.00 174.74 172.54 6cpa s SER 197 N -3.83 0.91 0.26 1.40 1.04 -1.26 -0.90 113.70 111.31 6cpa s SER 197 Ca 0.12 -0.78 0.04 0.00 0.48 0.00 0.00 55.95 55.81 6cpa s SER 197 Cb 0.03 0.08 -0.06 0.00 0.10 0.00 0.00 66.02 66.17 6cpa s SER 197 CO 0.06 -0.36 -0.00 -0.72 0.98 0.00 0.00 173.24 173.20 6cpa s TYR 198 N -2.56 1.72 0.00 5.02 1.13 -1.26 -4.82 117.35 116.58 6cpa s TYR 198 Ca 0.00 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.78 6cpa s TYR 198 Cb -0.02 -1.02 0.00 0.00 -1.10 0.00 0.00 41.96 39.82 6cpa s TYR 198 CO -0.03 0.04 0.00 0.43 -2.51 0.00 0.00 175.55 173.48 6cpa n SER 199 N -0.50 0.00 -3.35 -0.18 7.64 -0.80 -4.82 113.62 111.60 6cpa n SER 199 Ca -0.05 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.68 6cpa n SER 199 Cb 0.64 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.88 6cpa n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 6cpa n GLN 200 N 0.00 -1.60 -4.34 1.43 6.02 0.25 -4.76 117.38 114.38 6cpa n GLN 200 Ca 0.00 0.96 -0.19 0.00 -0.01 0.00 0.00 57.00 57.76 6cpa n GLN 200 Cb 0.00 -5.01 -0.13 0.00 1.02 0.00 0.00 30.24 26.11 6cpa n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 6cpa s LEU 201 N -5.16 2.15 -0.26 1.08 1.43 -0.36 -2.33 118.68 115.24 6cpa s LEU 201 Ca 0.26 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 6cpa s LEU 201 Cb -0.06 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.63 6cpa s LEU 201 CO 0.79 0.03 -0.03 -0.22 0.23 0.00 0.00 176.35 177.15 6cpa s LEU 202 N -1.01 3.33 -0.05 1.79 0.20 0.11 -0.56 118.68 122.48 6cpa s LEU 202 Ca 0.01 -0.82 0.02 0.00 0.69 0.00 0.00 54.13 54.02 6cpa s LEU 202 Cb -0.07 -1.71 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 6cpa s LEU 202 CO 0.01 -0.14 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.09 6cpa s LEU 203 N 1.37 3.11 0.47 -0.68 1.02 -0.15 -2.07 118.68 121.75 6cpa s LEU 203 Ca 0.01 -0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.11 6cpa s LEU 203 Cb -0.17 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 6cpa s LEU 203 CO -0.03 0.34 0.03 -0.72 0.02 0.00 0.00 176.35 176.00 6cpa s TYR 204 N -0.84 1.95 0.84 0.29 1.13 -0.60 -1.72 117.35 118.39 6cpa s TYR 204 Ca 0.13 -0.98 -0.13 0.00 -1.41 0.00 0.00 57.07 54.68 6cpa s TYR 204 Cb -0.11 -1.53 0.07 0.00 -1.10 0.00 0.00 41.96 39.29 6cpa s TYR 204 CO 0.03 0.14 0.94 -2.30 -2.51 0.00 0.00 175.55 171.85 6cpa n PRO 205 N -1.13 0.01 -3.96 -3.49 -0.02 -1.26 -1.61 135.00 123.54 6cpa n PRO 205 Ca -0.14 0.07 -0.25 0.00 -2.02 0.00 0.00 63.50 61.16 6cpa n PRO 205 Cb 0.67 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 6cpa n PRO 205 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 6cpa s TYR 206 N -2.22 3.45 -0.14 6.00 4.12 -1.26 -4.57 117.35 122.73 6cpa s TYR 206 Ca 0.68 0.08 0.19 0.00 0.02 0.00 0.00 57.07 58.04 6cpa s TYR 206 Cb -0.28 -1.63 -0.27 0.00 -1.52 0.00 0.00 41.96 38.27 6cpa s TYR 206 CO 0.56 0.50 0.29 0.41 0.02 0.00 0.00 175.55 177.33 6cpa n GLY 207 N -0.73 -1.02 0.02 0.71 0.00 -1.26 -1.92 105.19 100.98 6cpa n GLY 207 Ca -0.08 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.69 6cpa n GLY 207 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 6cpa n TYR 208 N -2.62 0.17 -3.98 1.61 4.11 -1.00 -1.45 117.16 114.01 6cpa n TYR 208 Ca -0.21 0.05 -0.09 0.00 -0.00 0.00 0.00 57.90 57.65 6cpa n TYR 208 Cb 0.94 -0.35 -0.10 0.00 -0.00 0.00 0.00 39.34 39.83 6cpa n TYR 208 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 6cpa s THR 209 N -3.08 0.15 -1.28 -3.48 -1.32 -1.26 -4.95 115.64 100.42 6cpa s THR 209 Ca 0.08 -1.22 0.28 0.00 -1.21 0.00 0.00 61.69 59.62 6cpa s THR 209 Cb 0.16 -0.90 0.30 0.00 -1.51 0.00 0.00 72.50 70.54 6cpa s THR 209 CO 0.74 -0.67 1.81 0.35 -2.21 0.00 0.00 174.62 174.65 6cpa n THR 210 N 0.79 0.00 -1.99 5.08 -2.24 -1.26 -4.61 114.28 110.05 6cpa n THR 210 Ca -0.19 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 6cpa n THR 210 Cb 0.58 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 6cpa n THR 210 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 6cpa s GLN 211 N -2.77 4.24 0.36 -0.78 2.00 -1.26 -4.98 119.66 116.48 6cpa s GLN 211 Ca 0.20 2.29 -0.27 0.00 -2.00 0.00 0.00 55.36 55.58 6cpa s GLN 211 Cb 0.19 -3.22 -0.09 0.00 0.80 0.00 0.00 33.01 30.69 6cpa s GLN 211 CO 0.54 -0.58 1.21 -1.12 -0.50 0.00 0.00 175.29 174.83 6cpa s SER 212 N 1.26 6.69 0.63 6.67 0.01 -1.26 -4.60 113.70 123.10 6cpa s SER 212 Ca 0.69 2.45 -0.17 0.00 1.31 0.00 0.00 55.95 60.23 6cpa s SER 212 Cb -0.42 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.17 6cpa s SER 212 CO 0.31 -0.57 1.19 0.27 0.41 0.00 0.00 173.24 174.85 6cpa s ILE 213 N -1.29 2.68 0.55 1.44 -4.36 -1.26 -4.90 121.20 114.06 6cpa s ILE 213 Ca 0.53 0.38 0.23 0.00 -0.26 0.00 0.00 60.65 61.53 6cpa s ILE 213 Cb -0.34 -3.05 0.33 0.00 1.25 0.00 0.00 42.46 40.65 6cpa s ILE 213 CO 0.44 -0.13 2.12 -0.65 0.24 0.00 0.00 174.94 176.96 6cpa h PRO 214 N 0.49 0.00 -0.75 0.37 0.11 -1.99 -2.53 132.00 127.70 6cpa h PRO 214 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 6cpa h PRO 214 Cb 1.29 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 6cpa h PRO 214 CO 0.54 0.00 0.06 -0.25 -0.21 0.00 0.00 178.00 178.14 6cpa n ASP 215 N -4.26 4.21 -0.03 -2.05 9.92 -1.26 -4.67 116.55 118.42 6cpa n ASP 215 Ca 0.01 -2.71 -0.02 0.00 -0.53 0.00 0.00 54.79 51.53 6cpa n ASP 215 Cb 0.26 -0.65 0.23 0.00 -0.64 0.00 0.00 41.12 40.32 6cpa n ASP 215 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 6cpa h LYS 216 N 2.51 0.58 -0.04 -1.24 3.64 -1.82 -1.76 116.57 118.45 6cpa h LYS 216 Ca 0.06 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 6cpa h LYS 216 Cb 1.64 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.39 6cpa h LYS 216 CO 0.40 0.66 0.02 1.15 -2.27 0.00 0.00 179.45 179.42 6cpa h THR 217 N 0.54 1.06 -0.33 1.00 2.02 -1.87 -0.35 112.91 114.99 6cpa h THR 217 Ca 0.10 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 6cpa h THR 217 Cb 0.46 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 6cpa h THR 217 CO 0.02 0.05 -0.03 -0.08 0.37 0.00 0.00 175.52 175.86 6cpa h GLU 218 N -0.01 0.60 -0.24 6.66 4.81 -1.89 -2.27 114.58 122.24 6cpa h GLU 218 Ca 0.01 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 6cpa h GLU 218 Cb 0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 6cpa h GLU 218 CO -0.00 0.75 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.57 6cpa h LEU 219 N 0.39 0.56 -1.49 1.64 4.07 -1.33 -1.91 115.31 117.24 6cpa h LEU 219 Ca 0.09 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 6cpa h LEU 219 Cb 0.49 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 6cpa h LEU 219 CO 0.02 0.89 0.14 -1.13 -1.08 0.00 0.00 178.44 177.28 6cpa h ASN 220 N 0.45 0.43 -0.18 -0.43 -0.73 -1.01 -1.22 115.58 112.87 6cpa h ASN 220 Ca 0.04 -0.04 -0.17 0.00 1.87 0.00 0.00 56.30 58.01 6cpa h ASN 220 Cb 0.87 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.35 6cpa h ASN 220 CO 0.07 0.39 -0.55 -0.61 -0.37 0.00 0.00 177.43 176.36 6cpa h GLN 221 N 0.48 0.70 -0.72 6.67 5.75 -1.11 -0.67 115.11 126.20 6cpa h GLN 221 Ca 0.12 -0.50 0.01 0.00 -0.15 0.00 0.00 58.65 58.12 6cpa h GLN 221 Cb 0.09 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 6cpa h GLN 221 CO -0.01 1.12 0.47 0.28 -2.65 0.00 0.00 178.83 178.04 6cpa h VAL 222 N 0.40 1.19 -0.84 2.39 2.07 -1.13 -0.31 116.25 120.02 6cpa h VAL 222 Ca -0.02 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 6cpa h VAL 222 Cb 1.17 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 6cpa h VAL 222 CO 0.12 0.19 0.42 0.00 0.02 0.00 0.00 177.57 178.31 6cpa h ALA 223 N 1.26 1.08 0.10 1.67 0.00 -1.23 0.16 119.26 122.30 6cpa h ALA 223 Ca 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.03 6cpa h ALA 223 Cb -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 6cpa h ALA 223 CO -0.06 0.63 -0.14 -0.22 0.00 0.00 0.00 179.25 179.47 6cpa h LYS 224 N 1.18 -0.27 -0.40 0.00 3.64 -0.24 -1.98 116.57 118.50 6cpa h LYS 224 Ca 0.29 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 6cpa h LYS 224 Cb 0.10 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 6cpa h LYS 224 CO -0.04 -0.18 0.21 0.77 -2.27 0.00 0.00 179.45 177.94 6cpa h SER 225 N -0.28 0.31 -0.46 4.20 0.02 -0.96 -2.40 113.55 113.98 6cpa h SER 225 Ca 0.01 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 6cpa h SER 225 Cb 0.29 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 6cpa h SER 225 CO -0.06 0.22 0.14 0.00 -1.14 0.00 0.00 176.83 175.99 6cpa h ALA 226 N 1.21 1.27 -0.14 3.77 0.00 -0.52 -2.39 119.26 122.46 6cpa h ALA 226 Ca 0.17 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 6cpa h ALA 226 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 6cpa h ALA 226 CO -0.11 0.51 -0.44 0.28 0.00 0.00 0.00 179.25 179.49 6cpa h VAL 227 N 0.76 1.32 -0.06 0.00 2.07 -1.29 -1.64 116.25 117.42 6cpa h VAL 227 Ca 0.17 -1.62 -0.21 0.00 0.82 0.00 0.00 66.70 65.87 6cpa h VAL 227 Cb 0.26 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 6cpa h VAL 227 CO -0.00 0.49 -0.82 0.00 0.02 0.00 0.00 177.57 177.25 6cpa h ALA 228 N 1.26 0.45 -0.68 1.67 0.00 -1.31 -2.08 119.26 118.58 6cpa h ALA 228 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.29 6cpa h ALA 228 Cb 0.89 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 6cpa h ALA 228 CO 0.07 0.77 0.43 0.00 0.00 0.00 0.00 179.25 180.52 6cpa h ALA 229 N 0.79 0.87 -0.39 0.00 0.00 -1.33 -2.74 119.26 116.46 6cpa h ALA 229 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 6cpa h ALA 229 Cb 1.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 6cpa h ALA 229 CO 0.15 0.32 0.22 1.25 0.00 0.00 0.00 179.25 181.18 6cpa h LEU 230 N 0.93 0.49 -2.22 0.00 6.46 -1.29 -2.73 115.31 116.95 6cpa h LEU 230 Ca 0.25 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 6cpa h LEU 230 Cb -0.07 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 6cpa h LEU 230 CO -0.05 0.43 -0.00 0.50 -0.62 0.00 0.00 178.44 178.69 6cpa h LYS 231 N 0.51 0.00 0.00 1.25 3.64 -1.26 -3.10 116.57 117.61 6cpa h LYS 231 Ca 0.14 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 6cpa h LYS 231 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 6cpa h LYS 231 CO -0.02 0.00 -0.11 0.66 -2.27 0.00 0.00 179.45 177.71 6cpa h SER 232 N 0.00 0.00 0.11 4.20 4.64 -1.17 -0.35 113.55 120.98 6cpa h SER 232 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 6cpa h SER 232 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 6cpa h SER 232 CO 0.00 0.11 -0.05 0.25 -0.87 0.00 0.00 176.83 176.27 6cpa h LEU 233 N 0.00 -0.12 -2.23 5.97 6.46 -1.70 -3.42 115.31 120.27 6cpa h LEU 233 Ca -0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 6cpa h LEU 233 Cb 0.21 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 6cpa h LEU 233 CO 0.01 0.44 0.00 -1.22 -0.62 0.00 0.00 178.44 177.06 6cpa n TYR 234 N -4.85 0.00 -0.85 1.25 0.53 -1.25 -5.02 117.16 106.98 6cpa n TYR 234 Ca -0.04 -0.32 0.00 0.00 -1.02 0.00 0.00 57.90 56.53 6cpa n TYR 234 Cb 0.15 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 6cpa n TYR 234 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 6cpa n GLY 235 N -0.32 0.76 3.67 2.72 0.00 -0.14 -5.00 105.19 106.89 6cpa n GLY 235 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 6cpa n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 6cpa s THR 236 N -2.91 3.54 -0.20 2.61 2.01 -1.26 -4.96 115.64 114.47 6cpa s THR 236 Ca 0.00 0.80 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 6cpa s THR 236 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 6cpa s THR 236 CO 0.00 -0.04 0.45 -0.44 -0.69 0.00 0.00 174.62 173.90 6cpa s SER 237 N 2.73 6.49 0.11 3.53 0.01 -1.26 -4.05 113.70 121.26 6cpa s SER 237 Ca 0.70 0.58 0.06 0.00 1.31 0.00 0.00 55.95 58.60 6cpa s SER 237 Cb -0.33 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 6cpa s SER 237 CO 0.28 -0.13 -0.01 -0.31 0.41 0.00 0.00 173.24 173.48 6cpa s TYR 238 N 1.51 2.94 0.36 2.43 1.51 -1.26 -4.92 117.35 119.91 6cpa s TYR 238 Ca 0.21 -0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.28 6cpa s TYR 238 Cb -0.15 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.19 6cpa s TYR 238 CO 0.09 0.48 0.46 0.15 -1.11 0.00 0.00 175.55 175.62 6cpa s LYS 239 N -2.42 2.99 0.04 -0.62 3.01 -0.98 -4.95 119.74 116.81 6cpa s LYS 239 Ca 0.26 -1.12 -0.11 0.00 -1.01 0.00 0.00 55.97 53.99 6cpa s LYS 239 Cb -0.11 -2.75 0.01 0.00 -1.01 0.00 0.00 37.83 33.97 6cpa s LYS 239 CO 0.18 -0.01 0.23 1.52 0.51 0.00 0.00 175.35 177.78 6cpa s TYR 240 N -2.24 0.01 -5.00 3.18 -0.85 -1.26 0.07 117.35 111.26 6cpa s TYR 240 Ca 0.47 -0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 6cpa s TYR 240 Cb -0.09 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.26 6cpa s TYR 240 CO 0.31 -0.45 0.00 0.41 -1.52 0.00 0.00 175.55 174.29 6cpa n GLY 241 N 0.64 -2.02 3.78 5.49 0.00 -0.88 -4.96 105.19 107.24 6cpa n GLY 241 Ca -0.19 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 6cpa n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 6cpa s SER 242 N -2.05 5.54 0.20 1.61 1.04 -1.26 -1.55 113.70 117.23 6cpa s SER 242 Ca 0.00 2.04 -0.17 0.00 0.48 0.00 0.00 55.95 58.30 6cpa s SER 242 Cb 0.00 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.74 6cpa s SER 242 CO 0.00 -1.34 1.60 0.40 0.98 0.00 0.00 173.24 174.89 6cpa h ILE 243 N 0.68 0.25 0.00 -1.02 2.04 -1.36 -1.44 117.51 116.66 6cpa h ILE 243 Ca -0.48 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 6cpa h ILE 243 Cb 1.25 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 6cpa h ILE 243 CO 0.56 0.00 -0.20 -0.29 0.00 0.00 0.00 178.15 178.22 6cpa h ILE 244 N -0.09 0.52 0.00 -0.67 2.10 -1.51 -1.30 117.51 116.56 6cpa h ILE 244 Ca 0.27 -1.03 -0.22 0.00 1.08 0.00 0.00 64.86 64.96 6cpa h ILE 244 Cb 0.52 1.71 -0.04 0.00 -1.09 0.00 0.00 36.82 37.93 6cpa h ILE 244 CO -0.67 0.20 -1.39 0.74 -1.08 0.00 0.00 178.15 175.94 6cpa h THR 245 N 0.00 0.86 0.00 2.19 2.02 -1.74 -3.37 112.91 112.87 6cpa h THR 245 Ca -0.00 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.66 6cpa h THR 245 Cb 0.70 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 6cpa h THR 245 CO 0.03 0.49 -1.12 0.41 0.37 0.00 0.00 175.52 175.69 6cpa n THR 246 N -3.05 0.00 0.05 3.16 -1.04 -0.58 -4.89 114.28 107.93 6cpa n THR 246 Ca -0.10 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 6cpa n THR 246 Cb 0.93 0.45 0.00 0.00 -1.82 0.00 0.00 70.33 69.89 6cpa n THR 246 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 6cpa n ILE 247 N -1.61 0.16 -3.73 12.58 -6.64 -0.54 -5.06 119.36 114.51 6cpa n ILE 247 Ca -0.01 0.05 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 6cpa n ILE 247 Cb 0.12 -0.80 -0.00 0.00 -1.44 0.00 0.00 39.64 37.52 6cpa n ILE 247 CO 0.00 0.00 0.00 -0.72 -1.77 0.00 0.00 176.55 174.06 6cpa s TYR 248 N -2.00 -0.03 0.24 4.28 -0.85 -1.10 -5.03 117.35 112.85 6cpa s TYR 248 Ca 0.00 -0.14 -0.30 0.00 -0.52 0.00 0.00 57.07 56.11 6cpa s TYR 248 Cb 0.00 0.58 -0.10 0.00 0.38 0.00 0.00 41.96 42.83 6cpa s TYR 248 CO 0.00 -0.45 1.39 -1.14 -1.52 0.00 0.00 175.55 173.83 6cpa s GLN 249 N -2.49 4.31 -0.16 -3.49 0.74 -1.26 -3.98 119.66 113.33 6cpa s GLN 249 Ca 0.17 2.21 -0.07 0.00 0.05 0.00 0.00 55.36 57.73 6cpa s GLN 249 Cb 0.02 -3.14 0.07 0.00 1.10 0.00 0.00 33.01 31.06 6cpa s GLN 249 CO -0.01 -0.35 0.35 0.00 -0.55 0.00 0.00 175.29 174.73 6cpa s ALA 250 N -0.02 -0.88 0.17 1.58 0.00 -0.53 -4.53 121.76 117.56 6cpa s ALA 250 Ca 0.58 1.29 0.06 0.00 0.00 0.00 0.00 51.96 53.90 6cpa s ALA 250 Cb -0.40 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 6cpa s ALA 250 CO 0.42 -0.49 0.06 -1.54 0.00 0.00 0.00 175.76 174.21 6cpa s SER 251 N 1.97 5.08 -0.11 0.00 1.04 -0.54 -2.38 113.70 118.77 6cpa s SER 251 Ca -0.05 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.09 6cpa s SER 251 Cb -0.11 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 64.82 6cpa s SER 251 CO -0.11 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.80 6cpa n GLY 252 N -0.24 0.48 3.86 7.32 0.00 0.03 -4.46 105.19 112.18 6cpa n GLY 252 Ca -0.09 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 6cpa n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 6cpa s GLY 253 N -2.80 2.02 0.29 -0.02 0.00 -1.24 -1.64 107.32 103.92 6cpa s GLY 253 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.75 6cpa s GLY 253 CO 0.00 0.24 1.76 1.48 0.00 0.00 0.00 173.10 176.58 6cpa h SER 254 N 1.10 0.53 0.90 1.64 4.64 -1.90 -2.90 113.55 117.56 6cpa h SER 254 Ca -0.47 -0.15 -0.12 0.00 -0.47 0.00 0.00 61.79 60.58 6cpa h SER 254 Cb 1.19 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 6cpa h SER 254 CO 0.63 0.70 -0.59 -0.29 -0.87 0.00 0.00 176.83 176.41 6cpa h ILE 255 N 0.49 1.22 -0.22 0.95 6.09 -1.95 0.18 117.51 124.28 6cpa h ILE 255 Ca 0.09 -2.19 -0.04 0.00 -1.37 0.00 0.00 64.86 61.34 6cpa h ILE 255 Cb 0.55 2.25 -0.01 0.00 0.47 0.00 0.00 36.82 40.09 6cpa h ILE 255 CO 0.04 0.58 -0.04 0.44 -3.07 0.00 0.00 178.15 176.10 6cpa h ASP 256 N 0.00 0.41 0.14 2.19 5.19 -1.92 -1.67 116.42 120.76 6cpa h ASP 256 Ca -0.01 -0.35 0.01 0.00 -0.62 0.00 0.00 57.03 56.06 6cpa h ASP 256 Cb 1.21 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 6cpa h ASP 256 CO 0.08 0.66 -0.18 -0.25 -3.12 0.00 0.00 179.24 176.44 6cpa h TRP 257 N 0.15 -0.46 -0.89 4.55 7.01 -1.28 -1.52 115.95 123.51 6cpa h TRP 257 Ca 0.06 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 6cpa h TRP 257 Cb 0.48 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 6cpa h TRP 257 CO 0.05 -0.26 0.46 0.66 -2.79 0.00 0.00 178.44 176.56 6cpa h SER 258 N -0.36 1.13 -0.51 2.65 4.64 -0.65 -0.73 113.55 119.72 6cpa h SER 258 Ca 0.01 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 6cpa h SER 258 Cb 0.36 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 6cpa h SER 258 CO -0.07 0.92 0.18 0.22 -0.87 0.00 0.00 176.83 177.21 6cpa h TYR 259 N 1.25 0.84 0.00 4.77 3.20 -1.20 -1.86 116.97 123.98 6cpa h TYR 259 Ca 0.31 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.12 6cpa h TYR 259 Cb 0.06 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.08 6cpa h TYR 259 CO 0.01 0.68 0.00 -0.91 -1.64 0.00 0.00 178.16 176.30 6cpa h ASN 260 N 0.81 0.00 0.00 -2.11 2.35 -0.29 -1.30 115.58 115.04 6cpa h ASN 260 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 6cpa h ASN 260 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 6cpa h ASN 260 CO -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 6cpa n GLN 261 N -3.05 0.82 -0.37 0.81 3.00 -0.38 -4.91 117.38 113.30 6cpa n GLN 261 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 6cpa n GLN 261 Cb 0.41 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 29.24 6cpa n GLN 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 6cpa n GLY 262 N 0.59 0.74 3.56 1.08 0.00 -0.49 -5.01 105.19 105.66 6cpa n GLY 262 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 6cpa n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6cpa s ILE 263 N -2.78 3.72 0.13 -0.61 1.01 -0.88 -4.89 121.20 116.91 6cpa s ILE 263 Ca 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 6cpa s ILE 263 Cb 0.00 -4.60 -0.12 0.00 0.01 0.00 0.00 42.46 37.75 6cpa s ILE 263 CO 0.00 -1.44 1.37 0.50 0.00 0.00 0.00 174.94 175.37 6cpa h LYS 264 N 11.01 0.71 -4.43 2.79 3.64 -1.86 -3.35 116.57 125.08 6cpa h LYS 264 Ca -0.27 -0.54 -0.73 0.00 -1.27 0.00 0.00 60.65 57.84 6cpa h LYS 264 Cb 1.08 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.87 6cpa h LYS 264 CO 1.23 1.16 2.04 0.66 -2.27 0.00 0.00 179.45 182.27 6cpa n TYR 265 N -3.93 4.02 -3.93 1.91 4.02 -1.22 -4.93 117.16 113.11 6cpa n TYR 265 Ca -0.06 -3.01 -0.35 0.00 -0.01 0.00 0.00 57.90 54.47 6cpa n TYR 265 Cb 0.71 -2.26 -0.14 0.00 -0.02 0.00 0.00 39.34 37.62 6cpa n TYR 265 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 6cpa s SER 266 N 2.53 4.27 0.01 7.72 0.01 -1.26 -1.31 113.70 125.68 6cpa s SER 266 Ca 0.45 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 57.12 6cpa s SER 266 Cb 0.05 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.56 6cpa s SER 266 CO 0.00 -0.06 0.01 -0.36 0.41 0.00 0.00 173.24 173.24 6cpa s PHE 267 N 1.42 0.18 -0.06 2.43 0.08 -0.36 -4.29 117.98 117.39 6cpa s PHE 267 Ca 0.04 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.77 6cpa s PHE 267 Cb -0.15 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.15 6cpa s PHE 267 CO -0.04 -0.19 -0.21 0.99 -0.10 0.00 0.00 175.22 175.67 6cpa s THR 268 N -1.26 2.41 -0.14 0.64 2.01 -0.70 -1.26 115.64 117.34 6cpa s THR 268 Ca -0.14 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 60.84 6cpa s THR 268 Cb -0.08 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 6cpa s THR 268 CO -0.00 0.57 0.12 -0.36 -0.69 0.00 0.00 174.62 174.26 6cpa s PHE 269 N -0.32 3.51 -0.42 4.92 0.08 -0.94 -0.98 117.98 123.83 6cpa s PHE 269 Ca 0.01 0.44 -0.08 0.00 0.12 0.00 0.00 56.93 57.42 6cpa s PHE 269 Cb -0.13 -1.98 0.09 0.00 -0.57 0.00 0.00 43.02 40.43 6cpa s PHE 269 CO 0.02 0.60 0.26 -1.21 -0.10 0.00 0.00 175.22 174.79 6cpa s GLU 270 N -0.66 2.51 0.54 0.44 0.41 0.27 -0.61 118.70 121.59 6cpa s GLU 270 Ca 0.13 -1.55 -0.09 0.00 -0.41 0.00 0.00 54.97 53.04 6cpa s GLU 270 Cb -0.12 -3.77 0.13 0.00 -1.78 0.00 0.00 34.13 28.60 6cpa s GLU 270 CO 0.02 -1.00 0.48 1.28 -0.49 0.00 0.00 175.26 175.56 6cpa n LEU 271 N 4.87 0.00 -4.69 1.80 4.32 -0.08 -0.59 117.00 122.63 6cpa n LEU 271 Ca -0.09 -0.52 -0.31 0.00 -0.02 0.00 0.00 56.01 55.07 6cpa n LEU 271 Cb 0.42 -0.44 0.15 0.00 -1.62 0.00 0.00 43.42 41.93 6cpa n LEU 271 CO 0.39 -1.49 0.69 -0.13 -1.22 0.00 0.00 177.39 175.63 6cpa s ARG 272 N -4.10 1.24 0.00 3.23 0.52 -1.26 -2.15 118.95 116.42 6cpa s ARG 272 Ca 0.31 1.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.06 6cpa s ARG 272 Cb -0.03 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.69 6cpa s ARG 272 CO 0.24 -2.47 0.00 -0.40 0.02 0.00 0.00 175.30 172.69 6cpa n ASP 273 N -4.04 0.04 -1.97 0.23 5.68 -1.26 -4.53 116.55 110.70 6cpa n ASP 273 Ca 0.12 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.17 6cpa n ASP 273 Cb 0.52 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.60 6cpa n ASP 273 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 6cpa n THR 274 N 0.00 3.03 0.00 2.12 -2.24 -1.26 -1.91 114.28 114.02 6cpa n THR 274 Ca 0.00 -3.14 0.00 0.00 -2.27 0.00 0.00 64.05 58.64 6cpa n THR 274 Cb 0.00 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 6cpa n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 6cpa n GLY 275 N -0.94 1.17 0.23 3.38 0.00 -1.26 -4.98 105.19 102.78 6cpa n GLY 275 Ca 0.51 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 6cpa n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 6cpa h ARG 276 N 0.00 -0.37 0.00 1.61 2.43 -2.02 -3.27 114.38 112.76 6cpa h ARG 276 Ca 0.00 0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.87 6cpa h ARG 276 Cb 0.00 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 6cpa h ARG 276 CO 0.00 -0.25 -2.28 0.66 -1.51 0.00 0.00 179.97 176.59 6cpa n TYR 277 N -5.31 0.00 -1.13 2.20 4.01 -1.26 -5.07 117.16 110.59 6cpa n TYR 277 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 6cpa n TYR 277 Cb 0.23 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 6cpa n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 6cpa n GLY 278 N 1.80 2.18 0.18 2.72 0.00 -1.24 -2.26 105.19 108.56 6cpa n GLY 278 Ca -0.29 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.46 6cpa n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 6cpa h PHE 279 N 0.00 0.00 -1.74 1.61 0.04 -1.93 -3.27 116.94 111.64 6cpa h PHE 279 Ca 0.00 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.07 6cpa h PHE 279 Cb 0.00 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 37.90 6cpa h PHE 279 CO 0.00 0.00 0.91 1.28 -0.60 0.00 0.00 178.31 179.90 6cpa n LEU 280 N -2.56 7.30 -4.74 1.54 4.77 -0.96 -4.43 117.00 117.92 6cpa n LEU 280 Ca 0.02 -4.63 -0.42 0.00 -0.03 0.00 0.00 56.01 50.95 6cpa n LEU 280 Cb 0.31 -1.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 6cpa n LEU 280 CO 0.25 1.74 1.27 0.18 -1.33 0.00 0.00 177.39 179.50 6cpa n LEU 281 N -0.23 4.25 -4.67 2.23 4.77 -1.24 -4.87 117.00 117.25 6cpa n LEU 281 Ca 0.53 1.13 -0.40 0.00 -0.03 0.00 0.00 56.01 57.24 6cpa n LEU 281 Cb 0.32 -1.59 0.03 0.00 -2.33 0.00 0.00 43.42 39.85 6cpa n LEU 281 CO 0.48 0.15 0.76 -2.65 -1.33 0.00 0.00 177.39 174.79 6cpa n PRO 282 N 2.61 1.52 0.28 3.23 -0.02 -1.26 -4.90 135.00 136.47 6cpa n PRO 282 Ca 0.10 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 6cpa n PRO 282 Cb 0.36 -2.29 0.83 0.00 -0.02 0.00 0.00 33.50 32.38 6cpa n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 6cpa h ALA 283 N 1.48 1.56 0.00 3.55 0.00 -1.92 -0.75 119.26 123.18 6cpa h ALA 283 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 6cpa h ALA 283 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 6cpa h ALA 283 CO 0.57 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 6cpa n SER 284 N -3.93 0.56 -0.57 0.00 3.41 -1.26 -2.39 113.62 109.44 6cpa n SER 284 Ca -0.03 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 6cpa n SER 284 Cb 0.12 -0.77 0.34 0.00 -0.26 0.00 0.00 64.21 63.63 6cpa n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 6cpa n GLN 285 N -2.14 1.66 0.45 4.33 6.02 -0.29 -4.66 117.38 122.76 6cpa n GLN 285 Ca 0.02 -1.15 -0.19 0.00 -0.01 0.00 0.00 57.00 55.67 6cpa n GLN 285 Cb 0.18 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 6cpa n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 6cpa h ILE 286 N 2.80 0.12 -0.48 5.09 2.04 -1.57 -2.14 117.51 123.37 6cpa h ILE 286 Ca 0.00 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 6cpa h ILE 286 Cb 0.66 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 6cpa h ILE 286 CO 0.00 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 178.49 6cpa h ILE 287 N -1.20 1.27 -0.78 -0.67 2.04 -1.83 0.13 117.51 116.47 6cpa h ILE 287 Ca -0.12 -1.18 0.11 0.00 1.00 0.00 0.00 64.86 64.68 6cpa h ILE 287 Cb 0.88 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 6cpa h ILE 287 CO 0.19 0.41 0.40 -0.65 0.00 0.00 0.00 178.15 178.50 6cpa h PRO 288 N 0.75 0.62 -0.09 2.37 0.11 -1.83 -0.50 132.00 133.44 6cpa h PRO 288 Ca 0.13 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 6cpa h PRO 288 Cb 0.61 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 6cpa h PRO 288 CO 0.04 0.41 0.03 1.15 -0.21 0.00 0.00 178.00 179.42 6cpa h THR 289 N 0.64 1.17 -0.50 -1.15 2.02 -1.17 -2.64 112.91 111.28 6cpa h THR 289 Ca 0.40 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 67.07 6cpa h THR 289 Cb 0.46 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 6cpa h THR 289 CO -0.30 0.15 0.30 0.00 0.37 0.00 0.00 175.52 176.04 6cpa h ALA 290 N 0.84 0.64 -0.44 6.16 0.00 -0.44 -1.94 119.26 124.08 6cpa h ALA 290 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 6cpa h ALA 290 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 6cpa h ALA 290 CO -0.00 0.01 0.18 1.96 0.00 0.00 0.00 179.25 181.39 6cpa h GLN 291 N 0.60 0.66 -0.05 0.00 4.20 -1.05 -1.45 115.11 118.02 6cpa h GLN 291 Ca 0.20 -0.12 -0.20 0.00 0.06 0.00 0.00 58.65 58.59 6cpa h GLN 291 Cb 0.01 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 6cpa h GLN 291 CO -0.09 0.60 -0.82 1.05 -0.67 0.00 0.00 178.83 178.91 6cpa h GLU 292 N 0.57 0.40 0.00 1.46 4.11 -1.47 -3.19 114.58 116.46 6cpa h GLU 292 Ca 0.15 -0.37 -0.07 0.00 0.07 0.00 0.00 59.36 59.14 6cpa h GLU 292 Cb 0.19 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 6cpa h GLU 292 CO -0.01 1.02 -0.34 0.00 0.07 0.00 0.00 179.01 179.76 6cpa h THR 293 N 0.25 1.16 -0.41 -1.06 1.03 -1.26 -2.36 112.91 110.26 6cpa h THR 293 Ca -0.05 -1.18 0.09 0.00 -0.01 0.00 0.00 66.41 65.26 6cpa h THR 293 Cb 1.42 1.65 -0.08 0.00 -1.07 0.00 0.00 68.15 70.06 6cpa h THR 293 CO 0.14 0.33 -0.16 -0.25 -0.01 0.00 0.00 175.52 175.57 6cpa h TRP 294 N 0.00 -0.38 -0.98 0.00 2.91 -1.27 0.57 115.95 116.80 6cpa h TRP 294 Ca -0.00 0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.11 6cpa h TRP 294 Cb 0.62 0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 29.44 6cpa h TRP 294 CO 0.00 -0.24 0.64 -0.07 -1.03 0.00 0.00 178.44 177.74 6cpa h LEU 295 N -0.07 1.04 -0.46 0.65 3.38 -1.42 0.13 115.31 118.55 6cpa h LEU 295 Ca 0.20 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 6cpa h LEU 295 Cb 0.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 6cpa h LEU 295 CO -0.46 0.68 -0.45 1.23 0.09 0.00 0.00 178.44 179.53 6cpa h GLY 296 N 1.19 0.85 1.06 0.83 0.00 -1.21 -2.88 103.07 102.90 6cpa h GLY 296 Ca 0.41 -0.91 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 6cpa h GLY 296 CO -0.15 0.82 -0.42 -2.08 0.00 0.00 0.00 176.54 174.70 6cpa h VAL 297 N 0.62 1.29 -0.93 4.60 2.07 -0.30 -2.88 116.25 120.72 6cpa h VAL 297 Ca 0.04 -1.61 0.12 0.00 0.82 0.00 0.00 66.70 66.07 6cpa h VAL 297 Cb 1.02 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 6cpa h VAL 297 CO 0.10 0.52 0.56 0.25 0.02 0.00 0.00 177.57 179.01 6cpa h LEU 298 N 0.56 0.79 -0.70 2.57 6.46 -0.82 -1.05 115.31 123.11 6cpa h LEU 298 Ca 0.03 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 6cpa h LEU 298 Cb 1.02 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 6cpa h LEU 298 CO 0.10 0.41 0.17 0.74 -0.62 0.00 0.00 178.44 179.24 6cpa h THR 299 N 0.87 1.26 -0.23 1.05 2.02 -1.40 -0.88 112.91 115.60 6cpa h THR 299 Ca 0.47 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 6cpa h THR 299 Cb 0.50 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 6cpa h THR 299 CO -0.28 0.37 -0.00 0.40 0.37 0.00 0.00 175.52 176.38 6cpa h ILE 300 N 1.06 1.26 -0.55 3.11 2.04 -1.17 -2.81 117.51 120.44 6cpa h ILE 300 Ca 0.22 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 6cpa h ILE 300 Cb 0.37 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 6cpa h ILE 300 CO 0.00 0.28 0.31 0.24 0.00 0.00 0.00 178.15 178.98 6cpa h MET 301 N 0.17 0.75 -0.37 2.37 2.86 -0.97 -0.63 114.93 119.11 6cpa h MET 301 Ca 0.06 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 6cpa h MET 301 Cb 0.41 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 6cpa h MET 301 CO 0.01 0.55 -0.01 0.93 1.06 0.00 0.00 176.91 179.45 6cpa h GLU 302 N 0.76 0.59 -0.02 1.72 5.08 -1.10 -0.91 114.58 120.70 6cpa h GLU 302 Ca 0.20 -0.14 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 6cpa h GLU 302 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 6cpa h GLU 302 CO -0.03 0.62 -0.82 1.25 -1.00 0.00 0.00 179.01 179.03 6cpa h HIS 303 N 0.56 0.39 -0.04 4.33 2.76 -1.08 -2.49 115.15 119.58 6cpa h HIS 303 Ca 0.12 -0.20 -0.09 0.00 -2.20 0.00 0.00 60.37 58.00 6cpa h HIS 303 Cb 0.37 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 6cpa h HIS 303 CO 0.01 0.97 -0.38 1.15 -1.30 0.00 0.00 177.93 178.39 6cpa h THR 304 N 0.17 1.29 0.03 6.26 2.02 -0.61 -2.84 112.91 119.22 6cpa h THR 304 Ca -0.04 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 6cpa h THR 304 Cb 1.42 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 6cpa h THR 304 CO 0.13 0.40 -0.02 0.58 0.37 0.00 0.00 175.52 176.98 6cpa h VAL 305 N 0.07 1.12 0.00 3.16 2.07 -1.03 -3.24 116.25 118.39 6cpa h VAL 305 Ca 0.01 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 6cpa h VAL 305 Cb 0.71 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 6cpa h VAL 305 CO 0.05 0.12 0.00 0.59 0.02 0.00 0.00 177.57 178.35 6cpa n ASN 306 N -5.01 0.00 0.00 0.57 4.13 -0.95 -5.12 115.26 108.87 6cpa n ASN 306 Ca -0.08 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.59 6cpa n ASN 306 Cb 0.13 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 6cpa n ASN 306 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13