#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qha s THR 2 N 0.00 3.75 -0.30 0.61 -1.32 -1.26 -5.09 115.64 112.04 2qha s THR 2 Ca 0.00 -0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 59.97 2qha s THR 2 Cb 0.00 -2.65 -0.03 0.00 -1.51 0.00 0.00 72.50 68.31 2qha s THR 2 CO 0.00 0.48 0.18 -0.69 -2.21 0.00 0.00 174.62 172.38 2qha s VAL 3 N 0.57 5.03 0.02 5.08 1.01 -1.26 -5.09 120.40 125.77 2qha s VAL 3 Ca -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2qha s VAL 3 Cb -0.14 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2qha s VAL 3 CO 0.03 0.17 0.28 -0.44 0.00 0.00 0.00 175.10 175.13 2qha s SER 4 N 1.70 6.50 0.59 3.32 0.01 -1.26 -3.49 113.70 121.07 2qha s SER 4 Ca 0.06 0.57 -0.19 0.00 1.31 0.00 0.00 55.95 57.71 2qha s SER 4 Cb -0.16 -2.09 -0.06 0.00 0.21 0.00 0.00 66.02 63.92 2qha s SER 4 CO 0.09 0.23 0.90 -2.65 0.41 0.00 0.00 173.24 172.22 2qha n PRO 5 N 1.02 0.85 0.25 12.44 -0.02 -1.26 -4.89 135.00 143.40 2qha n PRO 5 Ca -0.10 0.33 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 2qha n PRO 5 Cb 0.53 -2.09 0.65 0.00 -0.02 0.00 0.00 33.50 32.57 2qha n PRO 5 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2qha h VAL 6 N 0.49 0.86 -3.43 -1.45 -1.51 -1.88 -3.38 116.25 105.94 2qha h VAL 6 Ca -0.48 -0.42 -0.56 0.00 -1.23 0.00 0.00 66.70 64.01 2qha h VAL 6 Cb 1.37 1.24 -0.06 0.00 -2.13 0.00 0.00 31.29 31.71 2qha h VAL 6 CO 0.50 0.11 1.01 0.21 -1.23 0.00 0.00 177.57 178.17 2qha s ASN 7 N -6.64 6.48 0.49 4.19 2.47 -1.26 -4.89 114.94 115.79 2qha s ASN 7 Ca -0.04 0.72 0.33 0.00 0.42 0.00 0.00 52.86 54.29 2qha s ASN 7 Cb 0.15 -2.54 1.56 0.00 -1.45 0.00 0.00 41.25 38.97 2qha s ASN 7 CO 0.64 -1.33 1.99 1.55 -3.72 0.00 0.00 177.10 176.22 2qha h PRO 8 N 10.00 0.00 -0.65 0.43 0.13 -1.99 -1.95 132.00 137.97 2qha h PRO 8 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2qha h PRO 8 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2qha h PRO 8 CO 1.10 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.96 2qha n ASN 9 N -2.78 4.87 -4.63 1.44 5.03 -1.26 -5.00 115.26 112.92 2qha n ASN 9 Ca -0.00 -2.49 -0.43 0.00 0.87 0.00 0.00 54.58 52.53 2qha n ASN 9 Cb 0.18 -0.59 -0.00 0.00 -1.02 0.00 0.00 39.78 38.35 2qha n ASN 9 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qha n ALA 10 N 1.10 0.39 -1.50 5.41 0.00 -0.74 -4.84 120.51 120.33 2qha n ALA 10 Ca 0.26 0.31 -0.37 0.00 0.00 0.00 0.00 53.44 53.64 2qha n ALA 10 Cb 0.92 -2.11 0.07 0.00 0.00 0.00 0.00 19.45 18.33 2qha n ALA 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qha n GLN 11 N 0.40 0.71 -0.24 0.00 6.02 0.46 -4.71 117.38 120.01 2qha n GLN 11 Ca 0.08 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.39 2qha n GLN 11 Cb 0.36 -2.22 0.15 0.00 1.02 0.00 0.00 30.24 29.55 2qha n GLN 11 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2qha h GLN 12 N 0.09 0.49 -0.70 -1.09 5.75 -1.92 0.01 115.11 117.75 2qha h GLN 12 Ca -0.48 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 2qha h GLN 12 Cb 1.35 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.75 2qha h GLN 12 CO 0.49 0.32 0.41 1.15 -2.65 0.00 0.00 178.83 178.55 2qha h THR 13 N 0.51 1.20 -0.54 2.39 2.02 -1.91 0.47 112.91 117.05 2qha h THR 13 Ca 0.37 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 2qha h THR 13 Cb 0.48 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2qha h THR 13 CO -0.33 0.21 0.02 0.74 0.37 0.00 0.00 175.52 176.53 2qha h THR 14 N 0.95 1.26 -0.49 3.16 2.02 -1.68 0.17 112.91 118.30 2qha h THR 14 Ca 0.25 -1.08 0.05 0.00 0.77 0.00 0.00 66.41 66.41 2qha h THR 14 Cb -0.02 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 2qha h THR 14 CO -0.05 0.38 0.21 0.11 0.37 0.00 0.00 175.52 176.55 2qha h LYS 15 N 0.81 0.41 -0.18 6.66 1.57 -0.57 -0.83 116.57 124.45 2qha h LYS 15 Ca 0.15 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2qha h LYS 15 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2qha h LYS 15 CO 0.02 0.27 0.05 1.15 -0.57 0.00 0.00 179.45 180.37 2qha h THR 16 N 0.42 1.20 -0.55 -0.16 2.02 -0.52 -2.01 112.91 113.31 2qha h THR 16 Ca 0.23 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2qha h THR 16 Cb 0.19 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2qha h THR 16 CO -0.19 0.19 0.33 0.58 0.37 0.00 0.00 175.52 176.80 2qha h VAL 17 N 0.10 1.17 -0.27 3.16 2.07 -0.82 -1.30 116.25 120.36 2qha h VAL 17 Ca 0.06 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2qha h VAL 17 Cb 0.25 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2qha h VAL 17 CO -0.00 0.18 0.12 -0.03 0.02 0.00 0.00 177.57 177.86 2qha h MET 18 N 0.74 0.40 -0.70 1.57 -1.53 -1.05 0.30 114.93 114.66 2qha h MET 18 Ca 0.20 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.39 2qha h MET 18 Cb -0.00 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 30.94 2qha h MET 18 CO -0.04 0.40 0.40 -0.97 0.14 0.00 0.00 176.91 176.84 2qha h ASN 19 N 0.30 0.86 -0.27 1.39 -1.24 -1.27 -1.65 115.58 113.70 2qha h ASN 19 Ca 0.09 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 2qha h ASN 19 Cb 0.14 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 2qha h ASN 19 CO -0.01 0.69 0.10 -0.25 -1.29 0.00 0.00 177.43 176.67 2qha h TRP 20 N 0.95 0.41 -0.67 0.67 7.01 -0.94 -2.81 115.95 120.58 2qha h TRP 20 Ca 0.25 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.25 2qha h TRP 20 Cb 0.01 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.91 2qha h TRP 20 CO -0.01 0.42 0.41 -0.07 -2.79 0.00 0.00 178.44 176.41 2qha h LEU 21 N 0.28 0.67 -2.01 0.65 3.38 -0.69 -2.63 115.31 114.96 2qha h LEU 21 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qha h LEU 21 Cb 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qha h LEU 21 CO -0.01 0.47 -0.06 0.00 0.09 0.00 0.00 178.44 178.93 2qha h ALA 22 N 1.29 1.75 -0.01 1.53 0.00 -1.06 -2.56 119.26 120.21 2qha h ALA 22 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qha h ALA 22 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qha h ALA 22 CO -0.11 0.07 -0.15 0.72 0.00 0.00 0.00 179.25 179.78 2qha n HIS 23 N -4.25 0.00 -0.27 0.00 8.25 -1.00 -4.44 115.22 113.52 2qha n HIS 23 Ca -0.03 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.44 2qha n HIS 23 Cb 0.14 -0.07 0.14 0.00 1.12 0.00 0.00 29.99 31.32 2qha n HIS 23 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qha h LEU 24 N 1.68 0.61 0.00 2.41 3.38 -1.42 -2.18 115.31 119.78 2qha h LEU 24 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qha h LEU 24 Cb 0.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qha h LEU 24 CO 0.00 0.36 0.00 -2.65 0.09 0.00 0.00 178.44 176.24 2qha n PRO 25 N -4.77 0.09 0.12 1.13 -0.02 -1.26 -1.67 135.00 128.62 2qha n PRO 25 Ca 0.11 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 2qha n PRO 25 Cb 0.24 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.66 2qha n PRO 25 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qha n ASN 26 N -1.36 0.80 -4.87 2.55 3.02 -0.82 -4.88 115.26 109.71 2qha n ASN 26 Ca 0.04 0.62 -0.30 0.00 -0.03 0.00 0.00 54.58 54.91 2qha n ASN 26 Cb 0.08 -0.82 0.07 0.00 -0.61 0.00 0.00 39.78 38.50 2qha n ASN 26 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2qha s ARG 27 N -3.20 2.50 0.00 3.52 0.52 -0.67 -4.90 118.95 116.71 2qha s ARG 27 Ca 0.08 0.42 0.23 0.00 -0.52 0.00 0.00 55.73 55.93 2qha s ARG 27 Cb 0.11 -1.98 0.05 0.00 0.52 0.00 0.00 34.95 33.65 2qha s ARG 27 CO 0.52 -1.28 1.13 0.25 0.02 0.00 0.00 175.30 175.93 2qha n THR 28 N -3.16 0.00 -3.79 0.02 -2.24 -1.26 -5.00 114.28 98.85 2qha n THR 28 Ca 0.07 -0.34 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 2qha n THR 28 Cb 0.58 1.33 -0.00 0.00 -2.10 0.00 0.00 70.33 70.14 2qha n THR 28 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2qha s GLU 29 N -2.29 1.22 -1.21 -0.78 -1.05 -1.26 -4.91 118.70 108.42 2qha s GLU 29 Ca 0.21 -0.72 -0.08 0.00 -0.15 0.00 0.00 54.97 54.23 2qha s GLU 29 Cb 0.18 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 2qha s GLU 29 CO 0.48 -0.56 0.76 0.09 0.95 0.00 0.00 175.26 176.97 2qha n ASN 30 N -0.72 -3.46 0.00 0.83 3.02 0.03 -4.90 115.26 110.07 2qha n ASN 30 Ca -0.05 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2qha n ASN 30 Cb 0.60 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.78 2qha n ASN 30 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2qha n ARG 31 N -4.06 0.14 -3.74 3.52 1.85 0.12 -4.86 116.66 109.63 2qha n ARG 31 Ca -0.19 -0.35 -0.25 0.00 -1.00 0.00 0.00 57.85 56.05 2qha n ARG 31 Cb 0.64 -0.60 -0.17 0.00 -1.05 0.00 0.00 32.46 31.28 2qha n ARG 31 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qha s VAL 32 N -0.08 0.39 0.18 8.89 1.01 -0.23 -4.53 120.40 126.03 2qha s VAL 32 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 2qha s VAL 32 Cb 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 2qha s VAL 32 CO 0.00 -0.02 1.16 -0.76 0.00 0.00 0.00 175.10 175.48 2qha s LEU 33 N 1.94 4.46 0.65 3.92 1.02 -0.09 -0.37 118.68 130.22 2qha s LEU 33 Ca 0.02 2.18 -0.12 0.00 0.02 0.00 0.00 54.13 56.22 2qha s LEU 33 Cb -0.15 -3.61 -0.01 0.00 0.02 0.00 0.00 46.19 42.44 2qha s LEU 33 CO -0.07 -0.31 1.05 -0.94 0.02 0.00 0.00 176.35 176.10 2qha s SER 34 N 0.04 5.64 -0.06 2.29 1.04 -0.41 -1.39 113.70 120.85 2qha s SER 34 Ca 0.51 1.63 -0.26 0.00 0.48 0.00 0.00 55.95 58.32 2qha s SER 34 Cb -0.31 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.36 2qha s SER 34 CO 0.36 -1.26 0.58 -0.83 0.98 0.00 0.00 173.24 173.06 2qha s GLY 35 N -3.58 -0.46 -0.02 7.32 0.00 -0.08 -0.84 107.32 109.66 2qha s GLY 35 Ca 0.59 1.09 -0.02 0.00 0.00 0.00 0.00 44.72 46.38 2qha s GLY 35 CO 0.50 0.78 0.06 0.00 0.00 0.00 0.00 173.10 174.44 2qha s ALA 36 N -1.09 -0.14 0.00 3.20 0.00 -0.37 -1.45 121.76 121.91 2qha s ALA 36 Ca -0.11 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 2qha s ALA 36 Cb -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2qha s ALA 36 CO 0.08 -0.05 1.21 0.12 0.00 0.00 0.00 175.76 177.12 2qha s PHE 37 N -0.17 3.29 -0.32 0.00 5.36 -0.47 -0.80 117.98 124.87 2qha s PHE 37 Ca -0.02 1.23 0.23 0.00 -0.96 0.00 0.00 56.93 57.41 2qha s PHE 37 Cb -0.02 -3.43 0.04 0.00 -0.34 0.00 0.00 43.02 39.27 2qha s PHE 37 CO 0.00 -1.36 1.06 0.41 -1.46 0.00 0.00 175.22 173.87 2qha n GLY 38 N 3.31 -1.42 0.00 13.12 0.00 0.62 -4.11 105.19 116.71 2qha n GLY 38 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2qha n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qha n GLY 39 N 1.22 1.07 3.72 -0.02 0.00 -1.23 -2.55 105.19 107.41 2qha n GLY 39 Ca 0.01 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 2qha n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qha s TYR 40 N -1.07 3.52 0.24 1.61 2.02 -1.26 -2.26 117.35 120.14 2qha s TYR 40 Ca 0.00 0.89 -0.31 0.00 -0.37 0.00 0.00 57.07 57.28 2qha s TYR 40 Cb 0.00 -2.55 -0.13 0.00 -0.40 0.00 0.00 41.96 38.88 2qha s TYR 40 CO 0.00 0.17 1.46 0.45 -1.57 0.00 0.00 175.55 176.06 2qha n SER 41 N 3.65 2.95 -3.92 2.29 2.88 -0.22 -0.46 113.62 120.80 2qha n SER 41 Ca -0.07 1.14 -0.25 0.00 -1.33 0.00 0.00 58.87 58.35 2qha n SER 41 Cb 0.52 -1.45 -0.01 0.00 -0.75 0.00 0.00 64.21 62.51 2qha n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2qha n HIS 42 N 2.13 -1.70 0.03 0.66 -0.00 -1.26 -4.70 115.22 110.38 2qha n HIS 42 Ca 0.12 0.77 0.00 0.00 -0.00 0.00 0.00 57.72 58.60 2qha n HIS 42 Cb 0.32 -3.83 0.00 0.00 -0.00 0.00 0.00 29.99 26.48 2qha n HIS 42 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2qha n ASP 43 N -2.99 -0.59 0.00 0.26 2.03 -0.88 -4.99 116.55 109.40 2qha n ASP 43 Ca -0.29 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2qha n ASP 43 Cb 0.68 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 42.02 2qha n ASP 43 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2qha n THR 44 N -2.64 0.00 -1.73 5.18 -2.24 -0.22 -4.97 114.28 107.67 2qha n THR 44 Ca 0.00 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2qha n THR 44 Cb 0.00 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 2qha n THR 44 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2qha n PHE 45 N -0.73 2.76 -3.74 4.78 7.35 0.39 -4.57 117.46 123.70 2qha n PHE 45 Ca 0.00 0.15 -0.03 0.00 -0.76 0.00 0.00 57.45 56.81 2qha n PHE 45 Cb 0.00 -2.63 0.02 0.00 0.35 0.00 0.00 39.48 37.22 2qha n PHE 45 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2qha n SER 46 N 3.12 -1.38 -0.47 -2.13 3.41 -1.06 -4.74 113.62 110.37 2qha n SER 46 Ca 0.13 -1.79 0.10 0.00 -0.26 0.00 0.00 58.87 57.05 2qha n SER 46 Cb 0.35 2.26 0.39 0.00 -0.26 0.00 0.00 64.21 66.96 2qha n SER 46 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2qha n MET 47 N -0.51 1.62 -0.34 4.33 0.00 -1.26 -4.41 117.12 116.55 2qha n MET 47 Ca -0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 57.70 56.72 2qha n MET 47 Cb 0.43 -1.37 0.10 0.00 0.00 0.00 0.00 33.22 32.38 2qha n MET 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qha h ALA 48 N 3.96 1.17 -0.27 3.04 0.00 -1.94 -0.36 119.26 124.85 2qha h ALA 48 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2qha h ALA 48 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qha h ALA 48 CO 0.00 0.53 0.02 1.49 0.00 0.00 0.00 179.25 181.29 2qha h GLU 49 N 1.22 0.46 -0.90 0.00 4.57 -1.87 0.80 114.58 118.86 2qha h GLU 49 Ca 0.34 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 2qha h GLU 49 Cb -0.10 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.38 2qha h GLU 49 CO -0.09 0.60 0.58 0.00 -1.18 0.00 0.00 179.01 178.92 2qha h ALA 50 N 0.84 1.23 -0.59 2.92 0.00 -1.75 -1.48 119.26 120.42 2qha h ALA 50 Ca 0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2qha h ALA 50 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qha h ALA 50 CO 0.01 0.37 0.06 -0.44 0.00 0.00 0.00 179.25 179.26 2qha h ASP 51 N 1.07 0.97 -0.73 0.00 3.32 -0.71 -0.60 116.42 119.74 2qha h ASP 51 Ca 0.38 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2qha h ASP 51 Cb 0.10 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2qha h ASP 51 CO -0.15 1.01 0.48 0.03 -1.72 0.00 0.00 179.24 178.88 2qha h ARG 52 N 0.90 0.93 -0.39 3.56 3.08 -0.44 -0.24 114.38 121.78 2qha h ARG 52 Ca 0.18 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2qha h ARG 52 Cb 0.47 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2qha h ARG 52 CO 0.02 0.62 0.05 0.82 -1.07 0.00 0.00 179.97 180.40 2qha h ILE 53 N 0.96 1.25 -0.60 2.04 1.08 -0.96 -1.53 117.51 119.74 2qha h ILE 53 Ca 0.28 -0.90 -0.06 0.00 -0.39 0.00 0.00 64.86 63.79 2qha h ILE 53 Cb -0.06 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 2qha h ILE 53 CO -0.08 0.31 0.13 -0.09 -0.69 0.00 0.00 178.15 177.72 2qha h ARG 54 N 0.50 0.94 -0.83 2.37 2.43 -0.87 -0.33 114.38 118.59 2qha h ARG 54 Ca 0.12 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2qha h ARG 54 Cb 0.39 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2qha h ARG 54 CO 0.01 0.85 0.41 0.77 -1.51 0.00 0.00 179.97 180.50 2qha h SER 55 N 0.90 1.08 0.41 -3.80 0.02 -0.90 0.42 113.55 111.67 2qha h SER 55 Ca 0.19 -0.12 -0.21 0.00 -0.84 0.00 0.00 61.79 60.80 2qha h SER 55 Cb 0.35 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2qha h SER 55 CO 0.00 0.90 -0.90 0.00 -1.14 0.00 0.00 176.83 175.70 2qha h ALA 56 N 1.26 0.44 0.00 3.77 0.00 -0.70 -3.39 119.26 120.64 2qha h ALA 56 Ca 0.29 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qha h ALA 56 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qha h ALA 56 CO -0.04 0.84 -0.17 0.25 0.00 0.00 0.00 179.25 180.13 2qha n THR 57 N -3.73 0.00 -0.75 0.00 -2.24 -0.19 -4.73 114.28 102.64 2qha n THR 57 Ca -0.05 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2qha n THR 57 Cb 0.81 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 2qha n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qha n GLY 58 N 1.01 1.35 3.28 3.38 0.00 0.15 -5.00 105.19 109.36 2qha n GLY 58 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2qha n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qha s GLN 59 N -0.05 1.14 0.13 1.61 -1.52 -1.25 -4.97 119.66 114.75 2qha s GLN 59 Ca 0.00 -1.42 0.06 0.00 -1.95 0.00 0.00 55.36 52.05 2qha s GLN 59 Cb 0.00 -0.89 -0.04 0.00 -0.22 0.00 0.00 33.01 31.86 2qha s GLN 59 CO 0.00 0.15 -0.00 -1.12 -0.25 0.00 0.00 175.29 174.06 2qha s SER 60 N -2.97 4.87 0.40 5.90 0.01 -1.26 -2.68 113.70 117.97 2qha s SER 60 Ca 0.16 -0.30 -0.27 0.00 1.31 0.00 0.00 55.95 56.85 2qha s SER 60 Cb -0.01 -1.09 -0.10 0.00 0.21 0.00 0.00 66.02 65.03 2qha s SER 60 CO 0.03 0.13 1.44 -2.16 0.41 0.00 0.00 173.24 173.09 2qha s PRO 61 N -2.62 4.00 0.23 12.44 0.04 -1.26 -1.03 135.00 146.79 2qha s PRO 61 Ca 0.26 2.46 -0.05 0.00 0.04 0.00 0.00 61.00 63.71 2qha s PRO 61 Cb -0.10 -2.87 0.23 0.00 0.04 0.00 0.00 34.50 31.80 2qha s PRO 61 CO 0.18 -0.58 1.74 0.00 0.04 0.00 0.00 177.00 178.38 2qha h ALA 62 N 2.81 1.03 -3.47 8.56 0.00 -1.50 -3.33 119.26 123.35 2qha h ALA 62 Ca -0.51 -0.26 -0.66 0.00 0.00 0.00 0.00 54.91 53.48 2qha h ALA 62 Cb 1.25 -0.23 -0.20 0.00 0.00 0.00 0.00 17.79 18.60 2qha h ALA 62 CO 0.63 0.62 -0.68 0.42 0.00 0.00 0.00 179.25 180.24 2qha s ILE 63 N -5.13 3.76 -0.08 0.00 1.01 -0.02 -0.49 121.20 120.25 2qha s ILE 63 Ca -0.11 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.14 2qha s ILE 63 Cb 0.15 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 40.04 2qha s ILE 63 CO 0.83 0.55 -0.17 -0.47 0.00 0.00 0.00 174.94 175.68 2qha s TYR 64 N -0.27 1.93 -0.07 3.97 5.04 -0.62 -1.23 117.35 126.10 2qha s TYR 64 Ca 0.04 -0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 53.88 2qha s TYR 64 Cb -0.13 -1.34 -0.04 0.00 0.35 0.00 0.00 41.96 40.80 2qha s TYR 64 CO 0.02 -0.34 0.10 0.20 -1.34 0.00 0.00 175.55 174.19 2qha s GLY 65 N 0.53 2.06 0.05 8.97 0.00 0.02 -1.53 107.32 117.43 2qha s GLY 65 Ca -0.16 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 43.85 2qha s GLY 65 CO 0.06 -0.56 -0.15 0.00 0.00 0.00 0.00 173.10 172.45 2qha s ASP 67 N -1.38 3.26 0.49 0.00 -1.08 -0.96 -2.05 116.67 114.95 2qha s ASP 67 Ca 0.01 -0.61 0.28 0.00 -0.52 0.00 0.00 52.55 51.72 2qha s ASP 67 Cb -0.09 -1.50 1.01 0.00 -1.46 0.00 0.00 42.92 40.88 2qha s ASP 67 CO 0.02 0.02 1.85 1.88 0.52 0.00 0.00 175.17 179.46 2qha h TYR 68 N 7.78 0.00 -3.31 -5.34 0.05 -1.72 -0.55 116.97 113.87 2qha h TYR 68 Ca -0.42 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.70 2qha h TYR 68 Cb 1.16 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.61 2qha h TYR 68 CO 0.48 0.08 -0.76 0.00 -1.05 0.00 0.00 178.16 176.91 2qha s ALA 69 N -3.55 2.67 -0.93 3.88 0.00 -1.26 -0.75 121.76 121.81 2qha s ALA 69 Ca 0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 2qha s ALA 69 Cb 0.09 -1.44 0.29 0.00 0.00 0.00 0.00 23.12 22.05 2qha s ALA 69 CO 0.60 -0.18 1.21 0.54 0.00 0.00 0.00 175.76 177.94 2qha n ARG 70 N 4.32 3.77 0.00 0.00 3.00 0.12 -3.38 116.66 124.50 2qha n ARG 70 Ca -0.19 -4.60 0.10 0.00 -0.01 0.00 0.00 57.85 53.16 2qha n ARG 70 Cb 0.51 -2.42 0.57 0.00 0.00 0.00 0.00 32.46 31.12 2qha n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qha n GLY 71 N 1.20 -0.81 0.11 -0.13 0.00 -0.21 -1.68 105.19 103.67 2qha n GLY 71 Ca 0.27 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2qha n GLY 71 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2qha h TRP 72 N 0.00 0.00 -3.54 1.61 0.09 -1.89 -2.58 115.95 109.65 2qha h TRP 72 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.89 58.46 2qha h TRP 72 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.32 2qha h TRP 72 CO 0.00 0.00 0.37 -0.51 0.09 0.00 0.00 178.44 178.39 2qha s LEU 73 N -4.80 4.48 0.00 0.11 1.43 -0.68 -4.59 118.68 114.63 2qha s LEU 73 Ca 0.07 1.79 -0.25 0.00 -1.03 0.00 0.00 54.13 54.71 2qha s LEU 73 Cb 0.11 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2qha s LEU 73 CO 0.68 -0.11 0.78 -1.61 0.23 0.00 0.00 176.35 176.32 2qha s GLU 74 N 0.15 4.49 0.07 1.70 2.02 -1.26 -2.60 118.70 123.26 2qha s GLU 74 Ca 0.48 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.53 2qha s GLU 74 Cb -0.23 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 2qha s GLU 74 CO 0.30 0.16 -0.05 0.95 0.02 0.00 0.00 175.26 176.65 2qha s THR 75 N 0.37 0.41 0.17 3.63 -4.23 -1.26 -4.97 115.64 109.76 2qha s THR 75 Ca 0.40 -1.82 -0.14 0.00 -1.18 0.00 0.00 61.69 58.95 2qha s THR 75 Cb -0.20 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 72.17 2qha s THR 75 CO 0.22 -0.92 1.81 0.00 -0.54 0.00 0.00 174.62 175.19 2qha h ALA 76 N 3.15 0.65 -4.30 3.99 0.00 -1.97 -3.41 119.26 117.36 2qha h ALA 76 Ca -0.34 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 2qha h ALA 76 Cb 1.15 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 18.44 2qha h ALA 76 CO 0.64 0.12 -0.86 -0.80 0.00 0.00 0.00 179.25 178.35 2qha s ASN 77 N -5.71 2.45 0.37 0.00 0.01 -1.26 -5.04 114.94 105.76 2qha s ASN 77 Ca -0.13 -0.38 0.07 0.00 -0.71 0.00 0.00 52.86 51.70 2qha s ASN 77 Cb 0.12 -0.38 0.78 0.00 0.41 0.00 0.00 41.25 42.17 2qha s ASN 77 CO 0.75 0.24 1.95 -0.29 -1.51 0.00 0.00 177.10 178.23 2qha h ILE 78 N 4.77 0.99 0.00 0.60 2.10 -1.80 -0.65 117.51 123.53 2qha h ILE 78 Ca -0.37 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.32 2qha h ILE 78 Cb 1.15 0.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 2qha h ILE 78 CO 0.48 0.13 0.00 -1.84 -1.08 0.00 0.00 178.15 175.84 2qha n GLU 79 N -4.49 0.12 0.33 2.19 0.00 -1.26 -1.59 120.64 115.94 2qha n GLU 79 Ca 0.11 0.35 0.21 0.00 0.00 0.00 0.00 57.16 57.83 2qha n GLU 79 Cb 0.27 -1.73 1.14 0.00 0.00 0.00 0.00 31.44 31.12 2qha n GLU 79 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2qha h ASP 80 N 0.00 0.00 0.68 -1.84 3.32 -1.52 -1.12 116.42 115.94 2qha h ASP 80 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qha h ASP 80 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2qha h ASP 80 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 2qha n SER 81 N -3.27 0.68 -4.70 6.45 3.41 -0.62 -4.63 113.62 110.95 2qha n SER 81 Ca -0.03 0.68 -0.38 0.00 -0.26 0.00 0.00 58.87 58.88 2qha n SER 81 Cb 0.08 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.15 2qha n SER 81 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qha s ILE 82 N -3.35 5.16 -0.02 -1.33 -1.09 -0.42 -0.70 121.20 119.45 2qha s ILE 82 Ca 0.04 0.93 0.01 0.00 -2.23 0.00 0.00 60.65 59.40 2qha s ILE 82 Cb 0.09 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 37.16 2qha s ILE 82 CO 0.38 0.27 -0.03 -0.62 -1.23 0.00 0.00 174.94 173.71 2qha s ASP 83 N 0.83 0.61 -0.08 3.58 2.15 0.07 -5.02 116.67 118.81 2qha s ASP 83 Ca 0.25 -0.08 0.12 0.00 0.43 0.00 0.00 52.55 53.26 2qha s ASP 83 Cb -0.15 -0.21 0.19 0.00 -0.30 0.00 0.00 42.92 42.45 2qha s ASP 83 CO 0.10 -0.02 1.11 1.33 -0.17 0.00 0.00 175.17 177.52 2qha n VAL 84 N 3.58 1.55 0.28 1.11 0.24 -1.26 -4.45 118.33 119.37 2qha n VAL 84 Ca -0.20 -1.76 0.16 0.00 -2.04 0.00 0.00 64.34 60.50 2qha n VAL 84 Cb 0.54 0.05 0.79 0.00 -1.47 0.00 0.00 33.84 33.75 2qha n VAL 84 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2qha h SER 85 N 0.10 0.00 0.57 -1.34 4.64 -1.96 -1.28 113.55 114.28 2qha h SER 85 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qha h SER 85 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2qha h SER 85 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2qha h ASN 87 N 0.00 0.57 -0.68 0.00 2.35 -1.62 -1.64 115.58 114.55 2qha h ASN 87 Ca 0.00 0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2qha h ASN 87 Cb 0.29 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 2qha h ASN 87 CO 0.00 0.23 0.41 0.77 -1.65 0.00 0.00 177.43 177.19 2qha h SER 88 N 0.65 0.65 0.06 5.81 4.64 -1.83 0.89 113.55 124.42 2qha h SER 88 Ca 0.49 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.68 2qha h SER 88 Cb 0.71 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2qha h SER 88 CO -0.37 0.44 -0.45 0.44 -0.87 0.00 0.00 176.83 176.02 2qha h ASP 89 N 0.79 0.50 -0.49 4.97 3.32 -1.63 -1.95 116.42 121.93 2qha h ASP 89 Ca 0.29 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2qha h ASP 89 Cb 0.08 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2qha h ASP 89 CO -0.13 0.89 0.06 -0.07 -1.72 0.00 0.00 179.24 178.26 2qha h LEU 90 N 0.38 0.80 -0.61 1.55 3.38 -0.48 0.14 115.31 120.46 2qha h LEU 90 Ca 0.03 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 2qha h LEU 90 Cb 0.94 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2qha h LEU 90 CO 0.08 0.88 0.16 0.24 0.09 0.00 0.00 178.44 179.89 2qha h MET 91 N 0.70 0.96 -0.46 1.13 2.86 -0.77 -2.02 114.93 117.34 2qha h MET 91 Ca 0.15 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2qha h MET 91 Cb 0.43 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2qha h MET 91 CO 0.01 0.87 0.07 0.77 1.06 0.00 0.00 176.91 179.70 2qha h SER 92 N 0.88 0.66 -0.62 1.22 0.02 -1.22 -1.24 113.55 113.24 2qha h SER 92 Ca 0.19 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2qha h SER 92 Cb 0.33 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2qha h SER 92 CO -0.00 0.68 0.32 0.22 -1.14 0.00 0.00 176.83 176.90 2qha h TYR 93 N 0.68 0.88 -0.44 3.45 3.20 -0.41 0.09 116.97 124.41 2qha h TYR 93 Ca 0.15 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2qha h TYR 93 Cb 0.31 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2qha h TYR 93 CO 0.01 0.65 0.11 2.35 -1.64 0.00 0.00 178.16 179.65 2qha h TRP 94 N 0.85 0.73 -0.01 -3.82 2.91 -1.09 -0.57 115.95 114.95 2qha h TRP 94 Ca 0.22 -0.08 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 2qha h TRP 94 Cb 0.09 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 28.53 2qha h TRP 94 CO -0.00 0.68 -0.01 0.87 -1.03 0.00 0.00 178.44 178.94 2qha h LYS 95 N 0.58 0.01 -0.50 2.65 1.57 -0.72 -2.91 116.57 117.24 2qha h LYS 95 Ca 0.14 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2qha h LYS 95 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2qha h LYS 95 CO 0.00 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 2qha n ASN 96 N -4.52 4.32 0.00 0.86 5.03 -0.03 -4.94 115.26 115.99 2qha n ASN 96 Ca -0.03 -2.54 0.00 0.00 0.87 0.00 0.00 54.58 52.89 2qha n ASN 96 Cb 0.10 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 2qha n ASN 96 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qha n GLY 97 N 0.61 1.31 1.36 7.41 0.00 -0.83 -4.43 105.19 110.62 2qha n GLY 97 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 2qha n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qha n GLY 98 N -0.98 3.89 2.95 -0.02 0.00 -0.28 -0.59 105.19 110.16 2qha n GLY 98 Ca 0.00 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.63 2qha n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qha s ILE 99 N -1.86 0.81 0.45 -0.61 1.01 0.36 -3.84 121.20 117.53 2qha s ILE 99 Ca 0.03 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.19 2qha s ILE 99 Cb 0.00 -0.78 -0.10 0.00 0.01 0.00 0.00 42.46 41.59 2qha s ILE 99 CO 0.02 0.29 0.99 -2.16 0.00 0.00 0.00 174.94 174.08 2qha s PRO 100 N 0.83 4.03 -0.03 2.79 0.04 -1.26 -1.59 135.00 139.81 2qha s PRO 100 Ca -0.12 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.19 2qha s PRO 100 Cb -0.15 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2qha s PRO 100 CO 0.01 -0.22 -0.07 -1.14 0.04 0.00 0.00 177.00 175.63 2qha s GLN 101 N -3.16 0.82 -0.09 4.56 -0.44 -0.58 -1.51 119.66 119.26 2qha s GLN 101 Ca 0.64 -0.23 0.02 0.00 -2.50 0.00 0.00 55.36 53.30 2qha s GLN 101 Cb -0.13 -0.79 0.01 0.00 -1.64 0.00 0.00 33.01 30.46 2qha s GLN 101 CO 0.17 0.06 -0.16 0.42 0.50 0.00 0.00 175.29 176.28 2qha s ILE 102 N 0.33 1.50 0.45 -2.34 1.01 0.01 -0.73 121.20 121.43 2qha s ILE 102 Ca -0.05 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 59.98 2qha s ILE 102 Cb -0.09 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2qha s ILE 102 CO 0.00 0.44 0.07 -0.94 0.00 0.00 0.00 174.94 174.51 2qha s SER 103 N 0.72 4.12 -0.16 3.58 1.04 -0.87 -1.07 113.70 121.06 2qha s SER 103 Ca -0.12 -1.40 -0.04 0.00 0.48 0.00 0.00 55.95 54.87 2qha s SER 103 Cb -0.16 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 65.96 2qha s SER 103 CO 0.03 -0.65 0.07 -0.76 0.98 0.00 0.00 173.24 172.91 2qha s LEU 104 N -3.84 0.59 -1.38 2.42 1.43 -1.26 -2.65 118.68 114.00 2qha s LEU 104 Ca 0.27 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 2qha s LEU 104 Cb 0.05 -0.35 0.10 0.00 0.03 0.00 0.00 46.19 46.02 2qha s LEU 104 CO 0.14 -0.32 2.13 1.41 0.23 0.00 0.00 176.35 179.94 2qha n HIS 105 N 5.21 3.08 -1.73 0.29 8.25 -1.22 -4.65 115.22 124.45 2qha n HIS 105 Ca -0.07 -2.88 -0.42 0.00 -0.26 0.00 0.00 57.72 54.09 2qha n HIS 105 Cb 0.49 -2.20 -0.03 0.00 1.12 0.00 0.00 29.99 29.37 2qha n HIS 105 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qha s LEU 106 N 0.57 4.36 0.88 2.41 1.43 -1.26 -1.04 118.68 126.02 2qha s LEU 106 Ca 0.46 2.90 -0.12 0.00 -1.03 0.00 0.00 54.13 56.34 2qha s LEU 106 Cb 0.13 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.82 2qha s LEU 106 CO -0.04 -0.97 0.88 0.00 0.23 0.00 0.00 176.35 176.45 2qha n ALA 107 N 3.48 -1.23 -2.79 4.21 0.00 -1.26 -4.54 120.51 118.39 2qha n ALA 107 Ca 0.14 -0.48 -0.44 0.00 0.00 0.00 0.00 53.44 52.65 2qha n ALA 107 Cb 0.36 -2.06 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 2qha n ALA 107 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qha s ASN 108 N -2.20 6.20 0.00 0.00 3.84 0.50 -4.90 114.94 118.38 2qha s ASN 108 Ca 0.65 -1.05 0.22 0.00 0.21 0.00 0.00 52.86 52.90 2qha s ASN 108 Cb -0.25 -2.25 1.29 0.00 -0.55 0.00 0.00 41.25 39.49 2qha s ASN 108 CO 0.59 -0.79 1.71 -0.81 -2.79 0.00 0.00 177.10 175.01 2qha n PRO 109 N 5.80 0.63 0.27 0.43 -0.04 -1.26 -1.23 135.00 139.59 2qha n PRO 109 Ca -0.09 0.02 0.18 0.00 -0.04 0.00 0.00 63.50 63.56 2qha n PRO 109 Cb 0.45 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.19 2qha n PRO 109 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qha h ALA 110 N 3.33 1.00 -1.93 0.55 0.00 -1.91 -3.40 119.26 116.91 2qha h ALA 110 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2qha h ALA 110 Cb 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 2qha h ALA 110 CO 0.00 0.00 -0.57 -0.06 0.00 0.00 0.00 179.25 178.62 2qha s PHE 111 N -3.73 2.67 0.32 0.00 0.08 -0.37 -5.00 117.98 111.95 2qha s PHE 111 Ca 0.00 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.71 2qha s PHE 111 Cb 0.10 -1.55 0.64 0.00 -0.57 0.00 0.00 43.02 41.64 2qha s PHE 111 CO 0.48 0.41 1.88 0.37 -0.10 0.00 0.00 175.22 178.26 2qha h GLN 112 N 1.66 0.87 -2.38 0.44 -0.00 -1.86 -3.46 115.11 110.38 2qha h GLN 112 Ca -0.44 -0.05 0.18 0.00 -0.00 0.00 0.00 58.65 58.34 2qha h GLN 112 Cb 1.25 -0.20 -0.06 0.00 0.00 0.00 0.00 27.48 28.47 2qha h GLN 112 CO 0.64 0.57 0.54 -1.54 0.00 0.00 0.00 178.83 179.05 2qha s SER 113 N -5.88 -0.09 0.94 -0.69 1.04 -1.26 -4.02 113.70 103.74 2qha s SER 113 Ca -0.11 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2qha s SER 113 Cb 0.21 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2qha s SER 113 CO 0.80 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2qha n GLY 114 N -0.57 1.56 2.53 7.32 0.00 -1.07 -4.77 105.19 110.19 2qha n GLY 114 Ca -0.05 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 2qha n GLY 114 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qha n HIS 115 N 4.45 -1.19 0.30 1.61 8.25 -1.13 -0.37 115.22 127.14 2qha n HIS 115 Ca 0.00 0.14 0.18 0.00 -0.26 0.00 0.00 57.72 57.78 2qha n HIS 115 Cb 0.00 -3.94 1.01 0.00 1.12 0.00 0.00 29.99 28.18 2qha n HIS 115 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2qha h PHE 116 N -0.37 0.00 -0.00 4.41 -0.00 -1.70 -1.70 116.94 117.58 2qha h PHE 116 Ca -0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2qha h PHE 116 Cb 1.35 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.29 2qha h PHE 116 CO 0.51 0.00 -0.32 1.63 -0.00 0.00 0.00 178.31 180.13 2qha n LYS 117 N -3.55 1.49 -3.48 6.09 5.02 -1.26 -1.58 118.16 120.89 2qha n LYS 117 Ca -0.02 -3.06 -0.39 0.00 -2.02 0.00 0.00 58.31 52.82 2qha n LYS 117 Cb 0.11 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.44 2qha n LYS 117 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qha s THR 118 N -3.12 5.24 0.62 -0.18 2.01 -0.64 -4.86 115.64 114.71 2qha s THR 118 Ca 0.36 0.40 -0.15 0.00 0.31 0.00 0.00 61.69 62.61 2qha s THR 118 Cb 0.34 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 2qha s THR 118 CO -0.03 0.20 1.07 -2.16 -0.69 0.00 0.00 174.62 173.01 2qha s PRO 119 N 1.89 3.17 0.17 4.92 0.04 -1.26 -4.55 135.00 139.38 2qha s PRO 119 Ca 0.12 1.22 0.06 0.00 0.04 0.00 0.00 61.00 62.44 2qha s PRO 119 Cb -0.16 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2qha s PRO 119 CO 0.10 -0.93 -0.13 0.96 0.04 0.00 0.00 177.00 177.04 2qha s ILE 120 N -2.49 1.46 0.67 0.56 -4.36 -1.26 -5.09 121.20 110.69 2qha s ILE 120 Ca 0.64 -2.11 -0.10 0.00 -0.26 0.00 0.00 60.65 58.81 2qha s ILE 120 Cb -0.17 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.63 2qha s ILE 120 CO 0.40 -0.65 1.05 0.42 0.24 0.00 0.00 174.94 176.40 2qha s THR 121 N -3.06 3.71 0.41 8.37 -4.23 -1.26 -4.90 115.64 114.68 2qha s THR 121 Ca 0.19 0.45 0.10 0.00 -1.18 0.00 0.00 61.69 61.24 2qha s THR 121 Cb 0.00 -3.53 0.29 0.00 1.34 0.00 0.00 72.50 70.61 2qha s THR 121 CO 0.04 -0.67 2.01 0.78 -0.54 0.00 0.00 174.62 176.23 2qha h ASN 122 N -0.51 0.46 -0.51 3.99 2.35 -2.00 -0.78 115.58 118.59 2qha h ASN 122 Ca -0.45 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 2qha h ASN 122 Cb 1.24 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 2qha h ASN 122 CO 0.63 0.31 0.30 0.44 -1.65 0.00 0.00 177.43 177.45 2qha h ASP 123 N 0.53 0.62 -0.56 5.81 3.32 -2.00 -0.44 116.42 123.70 2qha h ASP 123 Ca 0.23 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 2qha h ASP 123 Cb 0.23 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2qha h ASP 123 CO -0.06 0.51 -0.05 1.56 -1.72 0.00 0.00 179.24 179.48 2qha h GLN 124 N 0.68 1.04 -0.89 3.56 4.20 -1.79 -2.52 115.11 119.38 2qha h GLN 124 Ca 0.18 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 2qha h GLN 124 Cb 0.01 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 2qha h GLN 124 CO -0.03 1.04 0.50 -0.92 -0.67 0.00 0.00 178.83 178.75 2qha h TYR 125 N 0.94 1.21 -0.68 2.96 3.20 -0.86 -1.64 116.97 122.09 2qha h TYR 125 Ca 0.16 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2qha h TYR 125 Cb 0.61 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2qha h TYR 125 CO 0.04 0.82 0.24 0.87 -1.64 0.00 0.00 178.16 178.49 2qha h LYS 126 N 1.24 1.03 -0.67 1.82 1.57 -0.85 -2.23 116.57 118.48 2qha h LYS 126 Ca 0.32 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2qha h LYS 126 Cb -0.00 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2qha h LYS 126 CO -0.05 0.86 0.24 0.87 -0.57 0.00 0.00 179.45 180.80 2qha h LYS 127 N 1.00 1.02 -0.74 3.15 1.57 -0.95 -2.54 116.57 119.09 2qha h LYS 127 Ca 0.23 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2qha h LYS 127 Cb 0.24 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2qha h LYS 127 CO -0.01 0.87 0.48 0.82 -0.57 0.00 0.00 179.45 181.04 2qha h ILE 128 N 0.97 1.08 0.00 1.86 2.04 -0.85 -1.80 117.51 120.80 2qha h ILE 128 Ca 0.22 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2qha h ILE 128 Cb 0.25 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2qha h ILE 128 CO -0.01 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.47 2qha n LEU 129 N -4.47 0.61 -4.47 1.44 4.77 -0.88 -3.97 117.00 110.03 2qha n LEU 129 Ca 0.10 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.23 2qha n LEU 129 Cb 0.16 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 2qha n LEU 129 CO 0.34 -0.26 0.21 -0.62 -1.33 0.00 0.00 177.39 175.73 2qha s ASP 130 N -4.14 6.22 0.32 -1.43 -1.08 -0.68 -4.94 116.67 110.93 2qha s ASP 130 Ca 0.09 -0.78 0.23 0.00 -0.52 0.00 0.00 52.55 51.58 2qha s ASP 130 Cb 0.12 -2.25 1.16 0.00 -1.46 0.00 0.00 42.92 40.49 2qha s ASP 130 CO 0.51 -0.71 1.71 0.28 0.52 0.00 0.00 175.17 177.48 2qha h SER 131 N 8.83 0.00 1.07 -0.34 0.02 -1.82 -2.11 113.55 119.21 2qha h SER 131 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2qha h SER 131 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2qha h SER 131 CO 0.87 0.00 -0.22 -1.54 -1.14 0.00 0.00 176.83 174.80 2qha n SER 132 N -2.30 0.54 -4.94 3.07 3.41 -1.26 -4.00 113.62 108.13 2qha n SER 132 Ca -0.00 0.33 -0.24 0.00 -0.26 0.00 0.00 58.87 58.70 2qha n SER 132 Cb 0.11 -0.35 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 2qha n SER 132 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qha s THR 133 N -3.08 3.72 0.24 6.66 -4.23 -0.79 -4.92 115.64 113.23 2qha s THR 133 Ca 0.10 -0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 60.20 2qha s THR 133 Cb 0.15 -3.41 0.20 0.00 1.34 0.00 0.00 72.50 70.78 2qha s THR 133 CO 0.62 -0.33 1.82 0.00 -0.54 0.00 0.00 174.62 176.19 2qha h ALA 134 N 0.17 1.11 -0.35 3.99 0.00 -1.91 -0.61 119.26 121.66 2qha h ALA 134 Ca -0.45 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2qha h ALA 134 Cb 1.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2qha h ALA 134 CO 0.58 0.12 0.10 0.93 0.00 0.00 0.00 179.25 180.97 2qha h GLU 135 N 0.79 0.55 -0.60 0.00 3.07 -1.83 -2.31 114.58 114.25 2qha h GLU 135 Ca 0.37 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 59.04 2qha h GLU 135 Cb 0.29 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2qha h GLU 135 CO -0.22 0.59 0.13 0.78 -1.40 0.00 0.00 179.01 178.89 2qha h GLY 136 N 0.42 1.02 1.31 -3.84 0.00 -1.43 -1.84 103.07 98.71 2qha h GLY 136 Ca 0.11 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 2qha h GLY 136 CO -0.00 0.58 0.05 0.50 0.00 0.00 0.00 176.54 177.67 2qha h LYS 137 N 0.91 0.85 -0.39 4.80 1.57 -1.05 -1.19 116.57 122.07 2qha h LYS 137 Ca 0.19 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2qha h LYS 137 Cb 0.35 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2qha h LYS 137 CO 0.00 0.82 0.15 0.00 -0.57 0.00 0.00 179.45 179.85 2qha h ARG 138 N 0.80 0.59 -0.22 3.15 3.08 -1.00 -0.62 114.38 120.16 2qha h ARG 138 Ca 0.16 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.11 2qha h ARG 138 Cb 0.41 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2qha h ARG 138 CO 0.01 0.57 0.10 1.25 -1.07 0.00 0.00 179.97 180.83 2qha h LEU 139 N 0.48 0.14 -1.27 3.04 5.85 -1.08 -2.47 115.31 120.01 2qha h LEU 139 Ca 0.13 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2qha h LEU 139 Cb 0.21 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2qha h LEU 139 CO -0.01 0.11 0.07 0.78 -0.34 0.00 0.00 178.44 179.05 2qha h ASN 140 N 0.22 0.53 -0.78 1.25 2.35 -1.03 -0.72 115.58 117.39 2qha h ASN 140 Ca 0.09 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2qha h ASN 140 Cb 0.03 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2qha h ASN 140 CO -0.07 0.55 0.42 0.00 -1.65 0.00 0.00 177.43 176.67 2qha h ALA 141 N 1.53 1.00 -0.31 -0.83 0.00 -0.87 -0.05 119.26 119.72 2qha h ALA 141 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2qha h ALA 141 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qha h ALA 141 CO 0.00 0.52 0.09 0.52 0.00 0.00 0.00 179.25 180.38 2qha h MET 142 N 1.08 0.49 -0.90 0.00 2.86 -0.90 -2.61 114.93 114.94 2qha h MET 142 Ca 0.27 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2qha h MET 142 Cb 0.05 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 2qha h MET 142 CO -0.04 0.54 0.51 -0.07 1.06 0.00 0.00 176.91 178.91 2qha h LEU 143 N 0.34 1.11 -0.55 1.22 3.38 -0.85 -0.91 115.31 119.06 2qha h LEU 143 Ca 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2qha h LEU 143 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qha h LEU 143 CO -0.00 0.88 0.21 -1.28 0.09 0.00 0.00 178.44 178.34 2qha h SER 144 N 1.26 0.77 -0.41 -0.43 0.87 -0.96 0.73 113.55 115.37 2qha h SER 144 Ca 0.32 -0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 2qha h SER 144 Cb -0.00 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2qha h SER 144 CO -0.05 0.73 -0.24 0.50 -0.53 0.00 0.00 176.83 177.24 2qha h LYS 145 N 0.75 0.93 -0.37 2.24 3.64 -1.10 -0.61 116.57 122.06 2qha h LYS 145 Ca 0.18 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2qha h LYS 145 Cb 0.21 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2qha h LYS 145 CO -0.01 1.06 0.24 0.82 -2.27 0.00 0.00 179.45 179.29 2qha h ILE 146 N 0.80 1.10 -0.65 2.00 2.04 -0.96 -2.13 117.51 119.71 2qha h ILE 146 Ca 0.10 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2qha h ILE 146 Cb 0.81 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2qha h ILE 146 CO 0.07 0.10 0.30 0.00 0.00 0.00 0.00 178.15 178.62 2qha h ALA 147 N 1.12 1.32 -0.61 1.87 0.00 -0.61 0.34 119.26 122.69 2qha h ALA 147 Ca 0.14 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2qha h ALA 147 Cb -0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2qha h ALA 147 CO -0.03 0.53 0.35 -0.44 0.00 0.00 0.00 179.25 179.66 2qha h ASP 148 N 0.92 0.53 -0.23 0.00 3.32 -0.76 0.84 116.42 121.04 2qha h ASP 148 Ca 0.22 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 2qha h ASP 148 Cb 0.10 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2qha h ASP 148 CO -0.03 0.36 0.02 1.23 -1.72 0.00 0.00 179.24 179.10 2qha h GLY 149 N 0.66 0.42 1.56 2.75 0.00 -0.69 -2.97 103.07 104.80 2qha h GLY 149 Ca 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2qha h GLY 149 CO -0.15 0.27 0.15 1.41 0.00 0.00 0.00 176.54 178.22 2qha h LEU 150 N 0.17 0.52 -1.48 3.11 3.38 -0.63 -2.25 115.31 118.13 2qha h LEU 150 Ca 0.07 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qha h LEU 150 Cb 0.36 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2qha h LEU 150 CO 0.01 0.48 0.36 -0.61 0.09 0.00 0.00 178.44 178.76 2qha h GLN 151 N 0.57 0.69 -0.93 1.13 5.75 -0.68 -1.48 115.11 120.16 2qha h GLN 151 Ca 0.14 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2qha h GLN 151 Cb 0.13 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2qha h GLN 151 CO -0.01 0.45 0.61 1.49 -2.65 0.00 0.00 178.83 178.72 2qha h GLU 152 N 0.71 1.20 -0.22 1.69 4.81 -1.29 -0.55 114.58 120.93 2qha h GLU 152 Ca 0.20 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 2qha h GLU 152 Cb -0.04 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.06 2qha h GLU 152 CO -0.05 0.79 -0.59 -0.07 -0.73 0.00 0.00 179.01 178.37 2qha h LEU 153 N 1.23 0.78 -1.02 1.64 3.38 -1.40 -3.15 115.31 116.78 2qha h LEU 153 Ca 0.35 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2qha h LEU 153 Cb -0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2qha h LEU 153 CO -0.09 1.20 0.38 -0.08 0.09 0.00 0.00 178.44 179.94 2qha h GLU 154 N 0.53 1.07 -0.67 1.13 4.22 -0.77 -1.88 114.58 118.20 2qha h GLU 154 Ca 0.00 -0.14 0.15 0.00 0.08 0.00 0.00 59.36 59.46 2qha h GLU 154 Cb 1.17 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 2qha h GLU 154 CO 0.12 0.81 0.46 -0.91 -2.18 0.00 0.00 179.01 177.31 2qha h ASN 155 N 1.07 0.23 -0.52 1.04 2.35 -1.07 -0.64 115.58 118.06 2qha h ASN 155 Ca 0.27 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2qha h ASN 155 Cb 0.08 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2qha h ASN 155 CO -0.04 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 2qha n GLN 156 N -4.43 2.59 -1.86 0.81 1.13 -0.82 -4.96 117.38 109.83 2qha n GLN 156 Ca 0.13 -2.44 -0.11 0.00 -1.94 0.00 0.00 57.00 52.64 2qha n GLN 156 Cb 0.57 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.36 2qha n GLN 156 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qha n GLY 157 N 1.56 0.42 3.62 1.08 0.00 -0.25 -4.98 105.19 106.64 2qha n GLY 157 Ca 0.21 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2qha n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qha s VAL 158 N -2.48 4.78 0.44 1.61 1.01 -0.77 -4.84 120.40 120.14 2qha s VAL 158 Ca 0.00 1.25 -0.23 0.00 0.00 0.00 0.00 61.98 63.00 2qha s VAL 158 Cb 0.00 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 2qha s VAL 158 CO 0.00 -0.25 1.10 -2.16 0.00 0.00 0.00 175.10 173.79 2qha s PRO 159 N 2.99 3.93 -0.07 2.72 0.04 -1.26 -4.53 135.00 138.81 2qha s PRO 159 Ca 0.33 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.99 2qha s PRO 159 Cb -0.14 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.00 2qha s PRO 159 CO 0.12 -0.37 -0.07 0.08 0.04 0.00 0.00 177.00 176.80 2qha s VAL 160 N -1.65 0.82 -0.57 -0.36 1.01 -0.17 -4.28 120.40 115.20 2qha s VAL 160 Ca 0.62 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 2qha s VAL 160 Cb -0.24 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2qha s VAL 160 CO 0.30 0.30 1.39 -0.76 0.00 0.00 0.00 175.10 176.32 2qha s LEU 161 N 1.06 3.40 -0.27 3.92 1.43 -0.57 -0.93 118.68 126.71 2qha s LEU 161 Ca -0.08 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 2qha s LEU 161 Cb -0.14 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 2qha s LEU 161 CO -0.01 -1.70 0.11 0.12 0.23 0.00 0.00 176.35 175.11 2qha s PHE 162 N 5.96 3.14 -0.62 0.29 5.36 0.64 -0.81 117.98 131.94 2qha s PHE 162 Ca 0.51 -0.36 0.05 0.00 -0.96 0.00 0.00 56.93 56.16 2qha s PHE 162 Cb -0.10 -2.30 0.18 0.00 -0.34 0.00 0.00 43.02 40.46 2qha s PHE 162 CO 0.24 -0.35 0.49 -2.13 -1.46 0.00 0.00 175.22 172.01 2qha n ARG 163 N 4.96 1.46 -2.93 10.12 0.63 -0.23 -0.99 116.66 129.68 2qha n ARG 163 Ca -0.15 -4.14 -0.30 0.00 -0.92 0.00 0.00 57.85 52.34 2qha n ARG 163 Cb 0.51 -2.09 -0.03 0.00 0.45 0.00 0.00 32.46 31.30 2qha n ARG 163 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2qha s PRO 164 N -1.20 3.73 -1.32 -0.14 0.04 -1.26 -4.17 135.00 130.68 2qha s PRO 164 Ca 0.29 0.36 -0.01 0.00 0.04 0.00 0.00 61.00 61.67 2qha s PRO 164 Cb 0.01 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 32.12 2qha s PRO 164 CO -0.16 -0.00 0.76 1.28 0.04 0.00 0.00 177.00 178.92 2qha n LEU 165 N -1.30 -3.13 -4.88 -3.56 4.77 -1.26 -4.83 117.00 102.81 2qha n LEU 165 Ca 0.01 -0.80 -0.30 0.00 -0.03 0.00 0.00 56.01 54.90 2qha n LEU 165 Cb 0.54 -2.70 0.03 0.00 -2.33 0.00 0.00 43.42 38.97 2qha n LEU 165 CO 0.48 0.42 0.73 -1.38 -1.33 0.00 0.00 177.39 176.31 2qha s HIS 166 N -3.61 3.43 -1.50 -1.77 -3.43 -1.26 -4.15 115.29 103.00 2qha s HIS 166 Ca 0.07 1.12 -0.13 0.00 -0.80 0.00 0.00 55.06 55.32 2qha s HIS 166 Cb -0.04 -2.93 0.07 0.00 -1.43 0.00 0.00 32.58 28.25 2qha s HIS 166 CO 0.81 -0.99 1.02 0.39 -2.00 0.00 0.00 174.74 173.97 2qha n GLU 167 N -2.90 -6.05 0.27 -0.38 1.02 0.55 -4.85 120.64 108.30 2qha n GLU 167 Ca 0.06 0.65 0.17 0.00 -0.02 0.00 0.00 57.16 58.02 2qha n GLU 167 Cb 0.56 -5.58 0.64 0.00 -0.02 0.00 0.00 31.44 27.04 2qha n GLU 167 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qha h MET 168 N -2.21 0.00 -0.00 3.49 -0.00 -1.79 -0.62 114.93 113.79 2qha h MET 168 Ca -0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.12 2qha h MET 168 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.97 2qha h MET 168 CO 0.65 0.01 -0.08 0.27 -0.00 0.00 0.00 176.91 177.76 2qha n ASN 169 N -3.11 0.31 -4.90 -0.10 6.94 -1.26 -2.50 115.26 110.65 2qha n ASN 169 Ca 0.01 -0.46 -0.29 0.00 -0.02 0.00 0.00 54.58 53.82 2qha n ASN 169 Cb 0.33 -0.13 0.03 0.00 -2.36 0.00 0.00 39.78 37.65 2qha n ASN 169 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2qha s GLY 170 N -2.49 1.61 -0.05 4.83 0.00 -0.24 -4.69 107.32 106.29 2qha s GLY 170 Ca 0.29 -0.48 0.16 0.00 0.00 0.00 0.00 44.72 44.70 2qha s GLY 170 CO 0.47 -0.16 1.45 -1.84 0.00 0.00 0.00 173.10 173.01 2qha n GLU 171 N -2.77 3.06 -0.13 2.90 0.00 -1.26 -1.55 120.64 120.90 2qha n GLU 171 Ca 0.05 -2.51 -0.26 0.00 0.00 0.00 0.00 57.16 54.44 2qha n GLU 171 Cb 0.57 -1.57 -0.11 0.00 0.00 0.00 0.00 31.44 30.33 2qha n GLU 171 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 2qha n TRP 172 N 0.87 0.19 -2.58 -1.84 2.14 -1.26 -4.78 117.44 110.18 2qha n TRP 172 Ca 0.20 0.07 -0.35 0.00 2.07 0.00 0.00 57.50 59.49 2qha n TRP 172 Cb 0.65 -1.02 -0.04 0.00 -0.81 0.00 0.00 31.31 30.08 2qha n TRP 172 CO 0.00 0.00 0.00 -0.06 2.07 0.00 0.00 177.69 179.70 2qha s PHE 173 N -2.49 3.20 0.54 -2.67 0.08 -1.26 -4.23 117.98 111.15 2qha s PHE 173 Ca -0.36 1.62 0.30 0.00 0.12 0.00 0.00 56.93 58.61 2qha s PHE 173 Cb 0.12 -3.07 1.77 0.00 -0.57 0.00 0.00 43.02 41.27 2qha s PHE 173 CO 0.53 -0.61 2.21 0.11 -0.10 0.00 0.00 175.22 177.37 2qha h TRP 174 N 2.15 0.00 -0.00 0.36 5.08 -1.53 -1.90 115.95 120.10 2qha h TRP 174 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 2qha h TRP 174 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 2qha h TRP 174 CO 0.58 0.03 -0.16 -2.67 -1.28 0.00 0.00 178.44 174.94 2qha n TRP 175 N -3.73 0.00 -1.29 0.12 2.14 -1.26 -4.56 117.44 108.86 2qha n TRP 175 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 2qha n TRP 175 Cb 0.13 -0.20 0.00 0.00 -0.81 0.00 0.00 31.31 30.42 2qha n TRP 175 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2qha n GLY 176 N 1.33 1.62 3.76 -1.67 0.00 -0.72 -4.81 105.19 104.71 2qha n GLY 176 Ca 0.13 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 2qha n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qha s LEU 177 N 0.00 3.11 -0.02 0.99 1.43 -0.59 -4.99 118.68 118.61 2qha s LEU 177 Ca 0.00 1.89 0.22 0.00 -1.03 0.00 0.00 54.13 55.20 2qha s LEU 177 Cb 0.00 -4.53 -0.29 0.00 0.03 0.00 0.00 46.19 41.40 2qha s LEU 177 CO 0.00 -1.99 0.51 0.35 0.23 0.00 0.00 176.35 175.45 2qha n THR 178 N -3.29 0.21 -4.16 5.49 -2.24 -1.26 -4.17 114.28 104.87 2qha n THR 178 Ca 0.10 -0.54 -0.15 0.00 -2.27 0.00 0.00 64.05 61.18 2qha n THR 178 Cb 0.53 -0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 2qha n THR 178 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qha s SER 179 N -4.72 0.93 -0.37 3.42 0.01 -1.26 -5.00 113.70 106.71 2qha s SER 179 Ca -0.07 -0.36 -0.41 0.00 1.31 0.00 0.00 55.95 56.41 2qha s SER 179 Cb 0.13 -0.03 -0.16 0.00 0.21 0.00 0.00 66.02 66.17 2qha s SER 179 CO 0.89 -0.06 1.89 0.00 0.41 0.00 0.00 173.24 176.37 2qha n TYR 180 N 2.10 1.76 -2.01 2.43 9.36 -1.26 -2.07 117.16 127.47 2qha n TYR 180 Ca -0.18 0.61 -0.13 0.00 3.32 0.00 0.00 57.90 61.53 2qha n TYR 180 Cb 0.56 -2.41 -0.03 0.00 -0.63 0.00 0.00 39.34 36.83 2qha n TYR 180 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2qha n ASN 181 N 6.50 -3.70 -4.49 2.98 3.02 -1.26 -4.92 115.26 113.39 2qha n ASN 181 Ca 0.35 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.72 2qha n ASN 181 Cb 0.09 -3.27 -0.10 0.00 -0.61 0.00 0.00 39.78 35.89 2qha n ASN 181 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2qha s GLN 182 N -4.24 3.16 0.27 3.52 0.74 -0.88 -4.97 119.66 117.27 2qha s GLN 182 Ca 0.00 -0.86 -0.30 0.00 0.05 0.00 0.00 55.36 54.25 2qha s GLN 182 Cb 0.00 -3.92 -0.10 0.00 1.10 0.00 0.00 33.01 30.09 2qha s GLN 182 CO 0.00 -0.66 1.42 0.21 -0.55 0.00 0.00 175.29 175.71 2qha s LYS 183 N 1.75 4.27 -0.32 1.67 2.20 -1.26 -4.76 119.74 123.29 2qha s LYS 183 Ca 0.06 2.31 -0.01 0.00 -0.36 0.00 0.00 55.97 57.97 2qha s LYS 183 Cb -0.18 -3.09 0.12 0.00 -1.51 0.00 0.00 37.83 33.17 2qha s LYS 183 CO 0.11 -0.39 0.21 0.34 -0.36 0.00 0.00 175.35 175.26 2qha s ASP 184 N 0.18 2.77 0.37 1.43 -1.08 -1.26 -5.03 116.67 114.04 2qha s ASP 184 Ca 0.57 -1.50 0.08 0.00 -0.52 0.00 0.00 52.55 51.18 2qha s ASP 184 Cb -0.42 -0.11 0.80 0.00 -1.46 0.00 0.00 42.92 41.74 2qha s ASP 184 CO 0.46 -0.37 1.92 0.78 0.52 0.00 0.00 175.17 178.48 2qha h ASN 185 N 7.81 0.63 -0.36 -0.34 2.35 -1.99 0.08 115.58 123.76 2qha h ASN 185 Ca -0.08 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 2qha h ASN 185 Cb 1.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 2qha h ASN 185 CO 0.34 0.37 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.40 2qha h GLU 186 N 0.70 0.65 -0.82 0.81 4.57 -1.99 -1.67 114.58 116.82 2qha h GLU 186 Ca 0.37 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 2qha h GLU 186 Cb 0.50 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 2qha h GLU 186 CO -0.14 0.76 0.53 -0.09 -1.18 0.00 0.00 179.01 178.89 2qha h ARG 187 N 0.46 1.02 -0.27 1.92 9.65 -1.46 0.37 114.38 126.08 2qha h ARG 187 Ca 0.10 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2qha h ARG 187 Cb 0.48 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2qha h ARG 187 CO 0.02 0.68 0.14 0.82 2.80 0.00 0.00 179.97 184.43 2qha h ILE 188 N 1.05 1.00 -0.56 1.20 2.04 -1.07 0.35 117.51 121.52 2qha h ILE 188 Ca 0.32 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2qha h ILE 188 Cb -0.04 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2qha h ILE 188 CO -0.10 0.05 0.37 -1.28 0.00 0.00 0.00 178.15 177.19 2qha h SER 189 N 0.29 0.65 -0.54 1.72 0.87 -0.86 -2.25 113.55 113.45 2qha h SER 189 Ca 0.11 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2qha h SER 189 Cb 0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2qha h SER 189 CO -0.07 0.48 0.06 -0.07 -0.53 0.00 0.00 176.83 176.71 2qha h LEU 190 N 0.76 0.91 -0.44 2.23 3.38 -0.65 -1.54 115.31 119.96 2qha h LEU 190 Ca 0.21 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2qha h LEU 190 Cb -0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 2qha h LEU 190 CO -0.04 0.93 0.27 0.22 0.09 0.00 0.00 178.44 179.91 2qha h TYR 191 N 0.89 0.51 -0.73 1.13 3.20 -0.71 -0.42 116.97 120.83 2qha h TYR 191 Ca 0.18 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2qha h TYR 191 Cb 0.43 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2qha h TYR 191 CO 0.03 0.30 0.32 0.87 -1.64 0.00 0.00 178.16 178.03 2qha h LYS 192 N 0.55 1.06 -0.57 1.82 1.57 -1.02 0.69 116.57 120.67 2qha h LYS 192 Ca 0.17 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2qha h LYS 192 Cb -0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 2qha h LYS 192 CO -0.07 0.85 0.37 1.96 -0.57 0.00 0.00 179.45 181.98 2qha h GLN 193 N 1.05 0.76 -0.36 3.15 4.20 -0.93 -0.84 115.11 122.14 2qha h GLN 193 Ca 0.25 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2qha h GLN 193 Cb 0.16 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2qha h GLN 193 CO -0.03 0.52 0.10 1.25 -0.67 0.00 0.00 178.83 180.00 2qha h LEU 194 N 0.77 0.53 -0.33 1.46 5.85 -0.23 0.37 115.31 123.74 2qha h LEU 194 Ca 0.21 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2qha h LEU 194 Cb -0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2qha h LEU 194 CO -0.04 0.61 0.21 0.22 -0.34 0.00 0.00 178.44 179.10 2qha h TYR 195 N 0.43 0.39 -0.21 1.25 3.20 -0.76 -1.33 116.97 119.93 2qha h TYR 195 Ca 0.11 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2qha h TYR 195 Cb 0.28 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2qha h TYR 195 CO 0.01 0.24 -0.17 0.87 -1.64 0.00 0.00 178.16 177.47 2qha h LYS 196 N 0.42 0.37 -0.39 1.82 1.57 -1.00 0.12 116.57 119.48 2qha h LYS 196 Ca 0.12 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2qha h LYS 196 Cb -0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2qha h LYS 196 CO -0.04 0.53 0.20 -0.22 -0.57 0.00 0.00 179.45 179.35 2qha h LYS 197 N 0.34 0.56 -0.36 3.15 3.64 -0.46 0.11 116.57 123.54 2qha h LYS 197 Ca 0.06 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2qha h LYS 197 Cb 0.50 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2qha h LYS 197 CO 0.03 0.48 -0.07 0.82 -2.27 0.00 0.00 179.45 178.43 2qha h ILE 198 N 0.50 1.28 -0.36 2.00 2.04 -0.84 -0.79 117.51 121.33 2qha h ILE 198 Ca 0.14 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.91 2qha h ILE 198 Cb 0.09 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2qha h ILE 198 CO -0.02 0.37 0.10 0.22 0.00 0.00 0.00 178.15 178.83 2qha h TYR 199 N 0.49 0.18 -0.48 1.37 3.20 -0.60 -0.85 116.97 120.27 2qha h TYR 199 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 2qha h TYR 199 Cb 0.58 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2qha h TYR 199 CO 0.05 0.06 0.04 1.25 -1.64 0.00 0.00 178.16 177.91 2qha h HIS 200 N 0.24 0.89 -0.28 -3.82 2.76 -0.71 0.33 115.15 114.56 2qha h HIS 200 Ca 0.17 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2qha h HIS 200 Cb 0.17 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2qha h HIS 200 CO -0.16 0.84 0.13 -0.92 -1.30 0.00 0.00 177.93 176.51 2qha h TYR 201 N 0.69 0.41 -0.06 5.26 3.20 -0.83 -0.22 116.97 125.42 2qha h TYR 201 Ca 0.14 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2qha h TYR 201 Cb 0.46 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2qha h TYR 201 CO 0.03 0.39 -0.22 0.52 -1.64 0.00 0.00 178.16 177.24 2qha h MET 202 N 0.32 0.25 0.02 1.82 2.86 -1.08 -0.94 114.93 118.19 2qha h MET 202 Ca 0.10 -0.20 -0.16 0.00 -2.06 0.00 0.00 59.70 57.38 2qha h MET 202 Cb 0.14 0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.85 2qha h MET 202 CO -0.01 0.83 -0.64 1.15 1.06 0.00 0.00 176.91 179.30 2qha h THR 203 N -0.27 1.44 0.00 2.22 2.02 -0.96 0.29 112.91 117.64 2qha h THR 203 Ca -0.01 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.02 2qha h THR 203 Cb 0.87 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 2qha h THR 203 CO 0.05 0.62 -0.85 0.47 0.37 0.00 0.00 175.52 176.18 2qha n ASP 204 N -4.20 1.76 -0.34 4.18 8.00 -0.16 -2.91 116.55 122.88 2qha n ASP 204 Ca -0.11 0.35 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 2qha n ASP 204 Cb 0.70 -0.74 0.11 0.00 -0.02 0.00 0.00 41.12 41.17 2qha n ASP 204 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2qha h THR 205 N -0.92 1.19 -0.02 -3.53 2.02 -1.29 -2.89 112.91 107.47 2qha h THR 205 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2qha h THR 205 Cb 0.85 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2qha h THR 205 CO 0.00 0.22 -0.19 0.54 0.37 0.00 0.00 175.52 176.46 2qha n ARG 206 N -4.48 1.55 -2.96 6.66 5.12 -0.37 -5.00 116.66 117.19 2qha n ARG 206 Ca 0.11 -1.14 -0.22 0.00 -1.93 0.00 0.00 57.85 54.68 2qha n ARG 206 Cb 0.06 -1.31 0.02 0.00 -1.16 0.00 0.00 32.46 30.07 2qha n ARG 206 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qha n GLY 207 N 1.09 -0.51 3.59 -0.13 0.00 -1.09 -4.91 105.19 103.22 2qha n GLY 207 Ca 0.08 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2qha n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qha s LEU 208 N -6.52 3.58 -0.16 0.99 1.43 0.08 -4.87 118.68 113.20 2qha s LEU 208 Ca 0.26 0.36 0.16 0.00 -1.03 0.00 0.00 54.13 53.89 2qha s LEU 208 Cb -0.12 -3.44 0.48 0.00 0.03 0.00 0.00 46.19 43.14 2qha s LEU 208 CO 0.33 -1.33 1.37 -0.90 0.23 0.00 0.00 176.35 176.05 2qha n ASP 209 N 8.04 3.59 -0.30 2.29 5.68 -1.26 -4.44 116.55 130.14 2qha n ASP 209 Ca 0.11 -2.95 0.06 0.00 -0.50 0.00 0.00 54.79 51.51 2qha n ASP 209 Cb 0.49 -0.50 0.13 0.00 -1.14 0.00 0.00 41.12 40.10 2qha n ASP 209 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qha n HIS 210 N -0.58 0.26 -4.16 2.11 1.44 -1.26 -0.40 115.22 112.63 2qha n HIS 210 Ca 0.20 -0.77 -0.35 0.00 -2.01 0.00 0.00 57.72 54.78 2qha n HIS 210 Cb 0.82 -0.14 -0.09 0.00 0.12 0.00 0.00 29.99 30.70 2qha n HIS 210 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2qha s LEU 211 N -2.12 3.76 -0.22 2.39 1.43 -1.26 -1.00 118.68 121.66 2qha s LEU 211 Ca 0.24 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 2qha s LEU 211 Cb 0.20 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2qha s LEU 211 CO 0.05 0.28 -0.03 -0.63 0.23 0.00 0.00 176.35 176.25 2qha s ILE 212 N -0.28 3.47 -0.18 -0.59 1.01 -0.11 -4.88 121.20 119.65 2qha s ILE 212 Ca 0.08 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.09 2qha s ILE 212 Cb -0.12 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 2qha s ILE 212 CO 0.02 0.41 0.48 0.26 0.00 0.00 0.00 174.94 176.11 2qha s TRP 213 N 1.49 3.41 -0.16 3.97 0.52 -1.26 -0.26 118.94 126.66 2qha s TRP 213 Ca 0.06 0.77 0.01 0.00 0.02 0.00 0.00 56.10 56.95 2qha s TRP 213 Cb -0.14 -2.60 0.01 0.00 -1.15 0.00 0.00 33.47 29.58 2qha s TRP 213 CO -0.03 -0.00 -0.18 0.08 0.02 0.00 0.00 176.95 176.84 2qha s VAL 214 N 1.27 2.36 -0.29 4.03 1.01 -0.16 -0.37 120.40 128.25 2qha s VAL 214 Ca 0.23 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 2qha s VAL 214 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2qha s VAL 214 CO 0.09 0.53 0.15 -0.47 0.00 0.00 0.00 175.10 175.40 2qha s TYR 215 N 0.93 3.17 -0.50 5.22 5.04 -0.12 -4.16 117.35 126.94 2qha s TYR 215 Ca -0.04 -0.37 0.04 0.00 -2.44 0.00 0.00 57.07 54.26 2qha s TYR 215 Cb -0.15 -2.34 0.17 0.00 0.35 0.00 0.00 41.96 39.98 2qha s TYR 215 CO -0.03 -0.37 0.37 -1.12 -1.34 0.00 0.00 175.55 173.06 2qha s SER 216 N 1.65 2.70 0.90 4.32 0.01 -1.26 -0.93 113.70 121.09 2qha s SER 216 Ca 0.06 -3.22 -0.11 0.00 1.31 0.00 0.00 55.95 53.99 2qha s SER 216 Cb -0.16 -0.84 0.13 0.00 0.21 0.00 0.00 66.02 65.36 2qha s SER 216 CO 0.07 -0.16 1.09 -2.16 0.41 0.00 0.00 173.24 172.49 2qha s PRO 217 N -0.31 1.23 0.18 12.44 0.04 -1.20 -0.33 135.00 147.05 2qha s PRO 217 Ca 0.28 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 2qha s PRO 217 Cb -0.02 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 2qha s PRO 217 CO -0.16 -2.31 0.95 0.34 0.04 0.00 0.00 177.00 175.86 2qha s ASP 218 N -3.22 7.58 0.46 6.66 2.15 -1.26 -1.47 116.67 127.57 2qha s ASP 218 Ca 0.64 1.89 0.31 0.00 0.43 0.00 0.00 52.55 55.81 2qha s ASP 218 Cb -0.19 -2.60 1.25 0.00 -0.30 0.00 0.00 42.92 41.08 2qha s ASP 218 CO 0.58 0.05 1.90 0.00 -0.17 0.00 0.00 175.17 177.54 2qha h ALA 219 N 4.78 1.00 -0.47 3.66 0.00 -1.37 -3.23 119.26 123.62 2qha h ALA 219 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qha h ALA 219 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qha h ALA 219 CO 0.70 0.00 0.00 0.09 0.00 0.00 0.00 179.25 180.04 2qha n ASN 220 N -2.84 4.73 -4.15 0.00 5.03 -1.26 -4.37 115.26 112.40 2qha n ASN 220 Ca 0.01 -2.80 -0.11 0.00 0.87 0.00 0.00 54.58 52.55 2qha n ASN 220 Cb 0.29 -0.59 -0.10 0.00 -1.02 0.00 0.00 39.78 38.36 2qha n ASN 220 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2qha s ARG 221 N -2.48 0.78 0.95 3.52 1.81 -1.22 -5.07 118.95 117.24 2qha s ARG 221 Ca 0.48 -1.22 -0.16 0.00 -1.72 0.00 0.00 55.73 53.10 2qha s ARG 221 Cb 0.35 -0.23 0.23 0.00 -0.45 0.00 0.00 34.95 34.86 2qha s ARG 221 CO 0.15 -0.00 0.95 -0.25 -0.68 0.00 0.00 175.30 175.47 2qha n ASP 222 N 0.25 -1.37 -2.27 0.23 8.00 -1.26 -4.51 116.55 115.63 2qha n ASP 222 Ca -0.14 -1.14 -0.17 0.00 0.71 0.00 0.00 54.79 54.05 2qha n ASP 222 Cb 0.60 -0.82 0.02 0.00 -0.02 0.00 0.00 41.12 40.89 2qha n ASP 222 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2qha n PHE 223 N -4.18 -1.38 0.15 1.24 3.72 -1.26 -4.81 117.46 110.93 2qha n PHE 223 Ca 0.13 0.33 0.05 0.00 -0.05 0.00 0.00 57.45 57.91 2qha n PHE 223 Cb 0.48 -3.63 0.48 0.00 -0.94 0.00 0.00 39.48 35.87 2qha n PHE 223 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2qha h LYS 224 N -0.89 0.20 0.00 -1.08 1.57 -1.91 -3.01 116.57 111.45 2qha h LYS 224 Ca -0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2qha h LYS 224 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2qha h LYS 224 CO 0.44 0.25 -1.02 0.25 -0.57 0.00 0.00 179.45 178.79 2qha n THR 225 N -4.39 0.00 0.18 -0.16 -2.24 -1.26 -4.56 114.28 101.86 2qha n THR 225 Ca -0.01 -0.20 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 2qha n THR 225 Cb 0.18 0.75 0.46 0.00 -2.10 0.00 0.00 70.33 69.62 2qha n THR 225 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2qha h ASP 226 N 0.00 0.08 0.07 3.42 3.45 -1.92 -2.13 116.42 119.39 2qha h ASP 226 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 2qha h ASP 226 Cb 0.47 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 2qha h ASP 226 CO 0.00 0.25 -0.03 0.49 -1.57 0.00 0.00 179.24 178.39 2qha n PHE 227 N -4.31 0.00 -1.80 4.55 3.72 -1.25 -4.91 117.46 113.45 2qha n PHE 227 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 2qha n PHE 227 Cb 0.25 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 2qha n PHE 227 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2qha s TYR 228 N -2.11 1.55 -0.42 1.38 5.04 -0.80 -4.71 117.35 117.27 2qha s TYR 228 Ca 0.40 -0.09 0.26 0.00 -2.44 0.00 0.00 57.07 55.19 2qha s TYR 228 Cb 0.21 -4.10 0.99 0.00 0.35 0.00 0.00 41.96 39.42 2qha s TYR 228 CO 0.38 -4.71 1.77 -1.00 -1.34 0.00 0.00 175.55 170.65 2qha h PRO 229 N 10.70 0.00 0.00 4.97 0.13 -1.91 -3.48 132.00 142.41 2qha h PRO 229 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2qha h PRO 229 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qha h PRO 229 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2qha n GLY 230 N 0.29 3.90 0.32 1.56 0.00 -1.26 -4.88 105.19 105.12 2qha n GLY 230 Ca 0.03 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 44.57 2qha n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qha h ALA 231 N 0.00 1.85 -0.00 4.61 0.00 -1.93 -1.90 119.26 121.90 2qha h ALA 231 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qha h ALA 231 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qha h ALA 231 CO 0.00 -0.24 -0.02 -1.13 0.00 0.00 0.00 179.25 177.86 2qha n SER 232 N -3.97 0.44 0.00 0.00 3.41 -1.26 -3.79 113.62 108.46 2qha n SER 232 Ca 0.01 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2qha n SER 232 Cb 0.28 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2qha n SER 232 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2qha n TYR 233 N -0.73 0.00 -4.08 7.33 4.01 -0.72 -4.78 117.16 118.20 2qha n TYR 233 Ca 0.20 -0.18 -0.19 0.00 -0.16 0.00 0.00 57.90 57.57 2qha n TYR 233 Cb 0.21 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 39.06 2qha n TYR 233 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qha s VAL 234 N -0.37 0.40 -0.19 -0.72 1.01 -1.21 -4.87 120.40 114.45 2qha s VAL 234 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2qha s VAL 234 Cb 0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 36.38 35.72 2qha s VAL 234 CO 0.00 0.19 0.09 0.47 0.00 0.00 0.00 175.10 175.85 2qha n ASP 235 N 4.07 2.04 -4.00 3.32 8.00 0.51 -4.82 116.55 125.67 2qha n ASP 235 Ca -0.26 0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.15 2qha n ASP 235 Cb 0.51 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.75 2qha n ASP 235 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qha s ILE 236 N -2.53 0.74 0.15 0.53 1.01 -0.55 -4.12 121.20 116.43 2qha s ILE 236 Ca -0.29 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.07 2qha s ILE 236 Cb 0.08 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 2qha s ILE 236 CO 0.67 0.23 0.06 0.68 0.00 0.00 0.00 174.94 176.58 2qha s VAL 237 N 0.12 4.15 0.15 2.92 -7.23 -0.22 -0.94 120.40 119.36 2qha s VAL 237 Ca -0.02 -1.15 -0.25 0.00 -1.81 0.00 0.00 61.98 58.76 2qha s VAL 237 Cb -0.07 -3.07 0.07 0.00 0.56 0.00 0.00 36.38 33.86 2qha s VAL 237 CO 0.00 -0.04 0.98 -0.83 -0.31 0.00 0.00 175.10 174.90 2qha s GLY 238 N -2.83 -0.18 -0.11 2.32 0.00 -0.11 -1.22 107.32 105.19 2qha s GLY 238 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 44.72 45.07 2qha s GLY 238 CO 0.21 0.30 -0.08 1.08 0.00 0.00 0.00 173.10 174.61 2qha s LEU 239 N -3.01 3.05 -0.43 0.66 1.43 -0.80 -3.25 118.68 116.34 2qha s LEU 239 Ca 0.14 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 2qha s LEU 239 Cb -0.01 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2qha s LEU 239 CO 0.03 0.24 0.78 -1.81 0.23 0.00 0.00 176.35 175.82 2qha s ASP 240 N -0.10 6.45 -0.25 2.29 1.11 -0.54 -1.18 116.67 124.44 2qha s ASP 240 Ca 0.00 0.02 0.01 0.00 0.18 0.00 0.00 52.55 52.76 2qha s ASP 240 Cb -0.13 -2.39 0.07 0.00 1.07 0.00 0.00 42.92 41.54 2qha s ASP 240 CO 0.03 -0.86 -0.04 0.00 1.18 0.00 0.00 175.17 175.48 2qha s ALA 241 N 3.23 2.04 -0.22 5.23 0.00 0.17 -1.01 121.76 131.20 2qha s ALA 241 Ca 0.30 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 2qha s ALA 241 Cb -0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 2qha s ALA 241 CO 0.21 -1.26 -0.05 0.71 0.00 0.00 0.00 175.76 175.37 2qha s TYR 242 N 1.35 2.96 0.30 0.00 2.02 -1.26 -2.11 117.35 120.61 2qha s TYR 242 Ca -0.04 -0.98 -0.14 0.00 -0.37 0.00 0.00 57.07 55.54 2qha s TYR 242 Cb -0.19 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.29 2qha s TYR 242 CO -0.08 -0.56 0.60 -0.59 -1.57 0.00 0.00 175.55 173.36 2qha s PHE 243 N 1.47 0.26 -0.14 2.71 -0.12 -0.78 -4.64 117.98 116.74 2qha s PHE 243 Ca 0.06 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.25 2qha s PHE 243 Cb -0.14 0.42 -0.09 0.00 -0.63 0.00 0.00 43.02 42.57 2qha s PHE 243 CO -0.04 -1.19 -0.12 1.04 -0.05 0.00 0.00 175.22 174.86 2qha n GLN 244 N -0.46 0.35 -3.39 1.99 3.00 -1.26 -1.35 117.38 116.25 2qha n GLN 244 Ca -0.03 0.08 -0.44 0.00 -0.01 0.00 0.00 57.00 56.60 2qha n GLN 244 Cb 0.61 -1.28 -0.07 0.00 0.00 0.00 0.00 30.24 29.50 2qha n GLN 244 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2qha s ASP 245 N -5.36 6.06 0.61 1.08 2.15 -1.26 -4.94 116.67 115.00 2qha s ASP 245 Ca -0.19 -1.64 0.32 0.00 0.43 0.00 0.00 52.55 51.47 2qha s ASP 245 Cb 0.05 -2.15 1.85 0.00 -0.30 0.00 0.00 42.92 42.37 2qha s ASP 245 CO 0.32 -0.74 2.20 0.00 -0.17 0.00 0.00 175.17 176.78 2qha h ALA 246 N 8.75 1.53 -0.00 3.66 0.00 -1.91 -2.45 119.26 128.84 2qha h ALA 246 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qha h ALA 246 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2qha h ALA 246 CO 0.94 -0.12 -0.25 0.66 0.00 0.00 0.00 179.25 180.48 2qha n TYR 247 N -3.67 0.00 -1.15 0.00 4.01 -1.26 -4.00 117.16 111.09 2qha n TYR 247 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.81 2qha n TYR 247 Cb 0.18 -0.24 0.18 0.00 -0.31 0.00 0.00 39.34 39.15 2qha n TYR 247 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2qha n SER 248 N -1.14 2.62 -4.73 7.72 7.64 -0.92 -5.02 113.62 119.80 2qha n SER 248 Ca 0.10 -3.23 -0.42 0.00 1.01 0.00 0.00 58.87 56.33 2qha n SER 248 Cb 0.32 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 2qha n SER 248 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qha s ILE 249 N -2.94 3.65 0.20 0.44 1.01 -1.26 -5.03 121.20 117.27 2qha s ILE 249 Ca 0.36 1.29 -0.09 0.00 0.00 0.00 0.00 60.65 62.21 2qha s ILE 249 Cb 0.32 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 2qha s ILE 249 CO 0.03 0.16 0.51 0.20 0.00 0.00 0.00 174.94 175.83 2qha s ASN 250 N 0.57 6.61 0.00 3.58 0.01 -1.26 -4.64 114.94 119.81 2qha s ASN 250 Ca 0.57 0.86 0.00 0.00 -0.71 0.00 0.00 52.86 53.58 2qha s ASN 250 Cb -0.33 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2qha s ASN 250 CO 0.33 -0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.51 2qha n GLY 251 N 0.03 1.15 0.14 0.66 0.00 -1.26 -4.77 105.19 101.15 2qha n GLY 251 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2qha n GLY 251 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qha h TYR 252 N 0.00 0.41 -0.45 1.61 3.20 -1.98 -1.27 116.97 118.48 2qha h TYR 252 Ca 0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2qha h TYR 252 Cb 0.00 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2qha h TYR 252 CO 0.00 0.40 0.16 -0.44 -1.64 0.00 0.00 178.16 176.64 2qha h ASP 253 N 0.30 0.64 -0.60 -2.11 3.32 -1.95 -0.81 116.42 115.21 2qha h ASP 253 Ca 0.09 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2qha h ASP 253 Cb 0.16 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2qha h ASP 253 CO -0.01 0.66 0.37 1.56 -1.72 0.00 0.00 179.24 180.10 2qha h GLN 254 N 0.59 0.82 0.09 3.56 4.20 -1.95 -2.06 115.11 120.36 2qha h GLN 254 Ca 0.15 -0.07 -0.28 0.00 0.06 0.00 0.00 58.65 58.50 2qha h GLN 254 Cb 0.23 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 27.86 2qha h GLN 254 CO -0.01 0.58 -1.19 -0.07 -0.67 0.00 0.00 178.83 177.48 2qha h LEU 255 N 0.82 0.80 -1.72 1.46 3.38 -1.12 -3.16 115.31 115.76 2qha h LEU 255 Ca 0.22 -0.72 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 2qha h LEU 255 Cb -0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2qha h LEU 255 CO -0.04 1.53 -0.17 0.71 0.09 0.00 0.00 178.44 180.56 2qha h THR 256 N 0.26 0.76 0.00 0.22 1.35 -1.12 -1.38 112.91 113.01 2qha h THR 256 Ca -0.16 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2qha h THR 256 Cb 1.86 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2qha h THR 256 CO 0.22 0.17 0.00 0.00 -0.25 0.00 0.00 175.52 175.66 2qha n ALA 257 N -2.34 1.40 1.54 6.62 0.00 -0.78 -1.40 120.51 125.55 2qha n ALA 257 Ca -0.02 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.68 2qha n ALA 257 Cb 0.28 -1.34 0.77 0.00 0.00 0.00 0.00 19.45 19.16 2qha n ALA 257 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qha n LEU 258 N -2.17 0.00 -3.63 0.00 4.77 -0.52 -4.92 117.00 110.52 2qha n LEU 258 Ca 0.01 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 2qha n LEU 258 Cb 0.14 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2qha n LEU 258 CO 0.15 -0.01 0.15 0.59 -1.33 0.00 0.00 177.39 176.94 2qha n ASN 259 N -1.16 -4.47 -4.22 -1.43 3.02 -0.49 -5.01 115.26 101.50 2qha n ASN 259 Ca 0.17 -0.64 -0.21 0.00 -0.03 0.00 0.00 54.58 53.87 2qha n ASN 259 Cb 0.17 -4.72 -0.12 0.00 -0.61 0.00 0.00 39.78 34.49 2qha n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qha s LYS 260 N -6.11 0.97 0.42 3.52 -0.14 -1.26 -5.12 119.74 112.01 2qha s LYS 260 Ca 0.40 -1.02 -0.24 0.00 -1.36 0.00 0.00 55.97 53.74 2qha s LYS 260 Cb -0.18 -1.09 -0.10 0.00 -1.68 0.00 0.00 37.83 34.78 2qha s LYS 260 CO 0.76 0.25 1.06 -2.30 -0.76 0.00 0.00 175.35 174.36 2qha n PRO 261 N 1.27 1.46 -4.84 -1.68 -0.02 -1.26 -4.67 135.00 125.27 2qha n PRO 261 Ca -0.20 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 2qha n PRO 261 Cb 0.54 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 2qha n PRO 261 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qha s PHE 262 N -1.26 2.75 0.05 6.00 5.36 -1.26 -1.06 117.98 128.57 2qha s PHE 262 Ca 0.63 -0.14 -0.01 0.00 -0.96 0.00 0.00 56.93 56.45 2qha s PHE 262 Cb -0.55 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 2qha s PHE 262 CO 0.57 0.20 -0.02 0.00 -1.46 0.00 0.00 175.22 174.51 2qha s ALA 263 N -0.71 0.40 -0.80 11.12 0.00 -0.35 -0.52 121.76 130.90 2qha s ALA 263 Ca 0.11 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.81 2qha s ALA 263 Cb -0.11 0.25 0.10 0.00 0.00 0.00 0.00 23.12 23.37 2qha s ALA 263 CO 0.01 -0.33 1.04 -0.06 0.00 0.00 0.00 175.76 176.42 2qha s PHE 264 N -3.42 2.91 -0.11 0.00 0.08 -0.15 -1.90 117.98 115.39 2qha s PHE 264 Ca 0.02 -1.01 0.24 0.00 0.12 0.00 0.00 56.93 56.31 2qha s PHE 264 Cb 0.04 -4.28 0.68 0.00 -0.57 0.00 0.00 43.02 38.89 2qha s PHE 264 CO -0.08 -1.55 1.72 1.79 -0.10 0.00 0.00 175.22 177.00 2qha h THR 265 N 5.92 0.31 -3.34 0.64 1.35 -1.41 -0.70 112.91 115.68 2qha h THR 265 Ca -0.05 -1.15 -0.15 0.00 -0.55 0.00 0.00 66.41 64.50 2qha h THR 265 Cb 1.05 1.91 -0.23 0.00 -1.73 0.00 0.00 68.15 69.15 2qha h THR 265 CO 1.15 0.15 -0.46 -1.61 -0.25 0.00 0.00 175.52 174.50 2qha s GLU 266 N -3.39 0.41 -0.04 4.72 2.02 -1.18 -4.44 118.70 116.81 2qha s GLU 266 Ca 0.03 -0.11 -0.08 0.00 0.02 0.00 0.00 54.97 54.83 2qha s GLU 266 Cb 0.08 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.50 2qha s GLU 266 CO 0.65 -0.09 0.19 0.54 0.02 0.00 0.00 175.26 176.57 2qha s VAL 267 N -0.81 0.04 -0.15 2.63 0.11 -0.31 -0.66 120.40 121.25 2qha s VAL 267 Ca -0.09 -0.34 -0.35 0.00 -2.93 0.00 0.00 61.98 58.28 2qha s VAL 267 Cb -0.05 -0.39 0.14 0.00 -1.53 0.00 0.00 36.38 34.56 2qha s VAL 267 CO 0.01 -0.19 1.36 -0.83 -3.33 0.00 0.00 175.10 172.13 2qha s GLY 268 N -0.67 -0.36 0.42 6.54 0.00 -0.90 -1.85 107.32 110.50 2qha s GLY 268 Ca -0.08 1.30 -0.26 0.00 0.00 0.00 0.00 44.72 45.68 2qha s GLY 268 CO 0.01 0.36 1.43 2.56 0.00 0.00 0.00 173.10 177.46 2qha s PRO 269 N -2.16 3.86 0.09 2.90 0.04 -1.26 -1.86 135.00 136.61 2qha s PRO 269 Ca 0.13 2.42 -0.10 0.00 0.04 0.00 0.00 61.00 63.49 2qha s PRO 269 Cb 0.03 -2.77 -0.19 0.00 0.04 0.00 0.00 34.50 31.61 2qha s PRO 269 CO -0.05 -0.68 1.22 0.37 0.04 0.00 0.00 177.00 177.90 2qha h GLN 270 N 2.59 0.57 -6.53 4.56 5.75 -1.48 -3.42 115.11 117.16 2qha h GLN 270 Ca -0.51 -0.65 -0.67 0.00 -0.15 0.00 0.00 58.65 56.67 2qha h GLN 270 Cb 1.25 0.19 -0.17 0.00 1.07 0.00 0.00 27.48 29.82 2qha h GLN 270 CO 0.62 1.26 -0.75 0.95 -2.65 0.00 0.00 178.83 178.26 2qha s THR 271 N -3.22 3.27 0.00 2.39 -4.23 -1.26 -4.98 115.64 107.60 2qha s THR 271 Ca -0.08 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2qha s THR 271 Cb 0.07 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.43 2qha s THR 271 CO 0.90 0.20 0.00 0.00 -0.54 0.00 0.00 174.62 175.18 2qha n ALA 272 N 1.01 -0.43 -0.47 3.99 0.00 -1.26 -4.91 120.51 118.44 2qha n ALA 272 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 2qha n ALA 272 Cb 0.52 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.22 2qha n ALA 272 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qha n ASN 273 N 0.00 -2.39 0.00 0.00 2.04 -1.26 -4.51 115.26 109.14 2qha n ASN 273 Ca 0.00 -0.30 0.00 0.00 -0.44 0.00 0.00 54.58 53.84 2qha n ASN 273 Cb 0.00 -1.13 0.00 0.00 -2.53 0.00 0.00 39.78 36.12 2qha n ASN 273 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2qha n GLY 274 N 1.45 3.26 0.10 4.83 0.00 -1.16 -4.87 105.19 108.80 2qha n GLY 274 Ca 0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 2qha n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qha n SER 275 N 0.61 1.05 -4.55 1.61 3.41 -1.26 -4.06 113.62 110.42 2qha n SER 275 Ca 0.00 -0.04 -0.48 0.00 -0.26 0.00 0.00 58.87 58.09 2qha n SER 275 Cb 0.00 0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 2qha n SER 275 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2qha n PHE 276 N -2.84 1.02 -3.96 7.33 -0.00 -1.26 -4.68 117.46 113.07 2qha n PHE 276 Ca -0.33 0.74 -0.34 0.00 -0.00 0.00 0.00 57.45 57.52 2qha n PHE 276 Cb 1.04 -2.22 -0.14 0.00 -0.00 0.00 0.00 39.48 38.16 2qha n PHE 276 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2qha s ASP 277 N -0.25 4.76 0.36 -2.13 3.68 -1.26 -1.06 116.67 120.77 2qha s ASP 277 Ca 0.70 -1.48 0.26 0.00 2.13 0.00 0.00 52.55 54.16 2qha s ASP 277 Cb -0.85 -1.66 1.25 0.00 -1.45 0.00 0.00 42.92 40.21 2qha s ASP 277 CO 0.55 -0.28 1.79 1.88 0.13 0.00 0.00 175.17 179.24 2qha h TYR 278 N 7.88 0.00 -0.45 -5.34 -1.99 -1.11 -2.10 116.97 113.86 2qha h TYR 278 Ca -0.18 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.55 2qha h TYR 278 Cb 1.05 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.76 2qha h TYR 278 CO 0.60 0.00 0.27 1.03 -0.00 0.00 0.00 178.16 180.06 2qha h SER 279 N 0.00 0.53 0.49 3.88 0.87 -1.77 -2.21 113.55 115.33 2qha h SER 279 Ca 0.00 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 2qha h SER 279 Cb 0.21 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2qha h SER 279 CO 0.00 0.41 -0.63 -0.07 -0.53 0.00 0.00 176.83 176.01 2qha h LEU 280 N 0.62 0.16 -0.10 2.23 3.38 -1.76 -2.43 115.31 117.40 2qha h LEU 280 Ca 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2qha h LEU 280 Cb -0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2qha h LEU 280 CO -0.03 0.75 -0.00 0.15 0.09 0.00 0.00 178.44 179.39 2qha h PHE 281 N 0.10 0.20 -0.41 1.13 3.57 -1.47 0.31 116.94 120.37 2qha h PHE 281 Ca -0.01 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 2qha h PHE 281 Cb 1.13 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2qha h PHE 281 CO 0.01 0.44 -0.06 0.97 -2.23 0.00 0.00 178.31 177.44 2qha h ILE 282 N -0.10 1.24 -0.52 1.41 6.09 -1.48 -0.95 117.51 123.21 2qha h ILE 282 Ca 0.03 -1.05 -0.09 0.00 -1.37 0.00 0.00 64.86 62.39 2qha h ILE 282 Cb 0.36 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.63 2qha h ILE 282 CO 0.01 0.36 -0.02 -1.13 -3.07 0.00 0.00 178.15 174.29 2qha h ASN 283 N 0.64 0.86 -0.45 2.19 -0.73 -1.39 -2.34 115.58 114.37 2qha h ASN 283 Ca 0.12 -0.23 -0.07 0.00 1.87 0.00 0.00 56.30 57.99 2qha h ASN 283 Cb 0.50 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 2qha h ASN 283 CO 0.03 0.94 0.04 0.00 -0.37 0.00 0.00 177.43 178.06 2qha h ALA 284 N 1.15 1.10 -0.27 1.57 0.00 -0.51 -1.16 119.26 121.14 2qha h ALA 284 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2qha h ALA 284 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2qha h ALA 284 CO 0.03 0.58 0.08 0.82 0.00 0.00 0.00 179.25 180.76 2qha h ILE 285 N 0.78 0.91 -0.51 0.00 2.04 -0.90 0.56 117.51 120.39 2qha h ILE 285 Ca 0.16 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 2qha h ILE 285 Cb 0.42 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2qha h ILE 285 CO 0.01 0.04 0.08 0.11 0.00 0.00 0.00 178.15 178.39 2qha h LYS 286 N 0.20 0.81 0.02 2.37 1.57 -0.97 -0.51 116.57 120.06 2qha h LYS 286 Ca 0.12 -0.18 -0.32 0.00 -1.87 0.00 0.00 60.65 58.40 2qha h LYS 286 Cb 0.10 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 2qha h LYS 286 CO -0.14 0.76 -1.91 1.04 -0.57 0.00 0.00 179.45 178.63 2qha n GLN 287 N -4.25 0.67 -0.01 3.15 6.02 -0.48 -4.53 117.38 117.94 2qha n GLN 287 Ca 0.03 0.23 -0.01 0.00 -0.01 0.00 0.00 57.00 57.24 2qha n GLN 287 Cb 0.25 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 29.77 2qha n GLN 287 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2qha n ARG 288 N -3.08 3.06 -2.64 -1.09 5.12 0.19 -4.87 116.66 113.36 2qha n ARG 288 Ca -0.24 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.49 2qha n ARG 288 Cb 1.07 -1.06 0.01 0.00 -1.16 0.00 0.00 32.46 31.31 2qha n ARG 288 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2qha n TYR 289 N -2.16 2.34 0.29 -1.55 4.01 -0.31 -4.94 117.16 114.83 2qha n TYR 289 Ca -0.04 -3.10 0.17 0.00 -0.16 0.00 0.00 57.90 54.77 2qha n TYR 289 Cb 0.57 -0.26 0.88 0.00 -0.31 0.00 0.00 39.34 40.23 2qha n TYR 289 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2qha h PRO 290 N 2.81 0.00 0.00 -0.72 0.13 -1.50 -1.70 132.00 131.02 2qha h PRO 290 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2qha h PRO 290 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2qha h PRO 290 CO 0.68 0.05 0.00 1.63 -0.23 0.00 0.00 178.00 180.13 2qha n LYS 291 N -3.33 0.25 -1.67 0.86 5.02 -1.26 -4.83 118.16 113.21 2qha n LYS 291 Ca -0.02 0.09 -0.49 0.00 -2.02 0.00 0.00 58.31 55.87 2qha n LYS 291 Cb 0.20 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 2qha n LYS 291 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2qha n THR 292 N -1.32 0.28 -0.02 -0.18 -1.04 -0.64 -4.20 114.28 107.16 2qha n THR 292 Ca 0.09 -0.05 0.09 0.00 -2.04 0.00 0.00 64.05 62.14 2qha n THR 292 Cb 0.19 -1.55 -0.17 0.00 -1.82 0.00 0.00 70.33 66.97 2qha n THR 292 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2qha n ILE 293 N 4.18 0.13 -3.48 12.58 -5.35 0.33 -4.59 119.36 123.15 2qha n ILE 293 Ca 0.21 -0.53 -0.11 0.00 -0.27 0.00 0.00 62.75 62.04 2qha n ILE 293 Cb 0.26 -0.04 -0.02 0.00 -1.74 0.00 0.00 39.64 38.10 2qha n ILE 293 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 2qha s TYR 294 N -3.42 -0.49 0.07 4.28 -0.85 -1.26 -0.91 117.35 114.77 2qha s TYR 294 Ca -0.08 0.24 0.07 0.00 -0.52 0.00 0.00 57.07 56.78 2qha s TYR 294 Cb 0.13 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 43.01 2qha s TYR 294 CO 0.90 -0.89 -0.19 -0.59 -1.52 0.00 0.00 175.55 173.26 2qha s PHE 295 N -3.77 1.64 -0.33 -3.49 -0.12 -0.49 -0.98 117.98 110.44 2qha s PHE 295 Ca 0.02 -0.40 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 2qha s PHE 295 Cb -0.02 -0.93 0.10 0.00 -0.63 0.00 0.00 43.02 41.54 2qha s PHE 295 CO -0.10 0.13 0.06 -1.17 -0.05 0.00 0.00 175.22 174.08 2qha s LEU 296 N -1.57 3.97 0.29 -1.99 2.96 -0.27 -0.90 118.68 121.17 2qha s LEU 296 Ca 0.05 -1.96 -0.28 0.00 -0.22 0.00 0.00 54.13 51.72 2qha s LEU 296 Cb -0.09 -1.40 -0.09 0.00 0.50 0.00 0.00 46.19 45.10 2qha s LEU 296 CO 0.03 -0.38 0.98 0.00 -1.32 0.00 0.00 176.35 175.66 2qha s ALA 297 N 1.12 3.27 0.98 5.97 0.00 -0.53 -1.16 121.76 131.41 2qha s ALA 297 Ca 0.10 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 2qha s ALA 297 Cb -0.19 -3.23 0.18 0.00 0.00 0.00 0.00 23.12 19.89 2qha s ALA 297 CO -0.13 0.09 1.10 -0.46 0.00 0.00 0.00 175.76 176.37 2qha s TRP 298 N -1.39 2.19 0.00 0.00 -0.11 -0.77 -1.37 118.94 117.48 2qha s TRP 298 Ca 0.47 0.97 0.00 0.00 1.22 0.00 0.00 56.10 58.76 2qha s TRP 298 Cb -0.24 -3.28 0.00 0.00 -1.50 0.00 0.00 33.47 28.45 2qha s TRP 298 CO 0.30 -2.78 0.00 0.27 -4.62 0.00 0.00 176.95 170.12 2qha n ASN 299 N -4.09 0.00 0.00 5.86 6.94 -1.26 -2.98 115.26 119.73 2qha n ASN 299 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 2qha n ASN 299 Cb 0.58 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 2qha n ASN 299 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2qha n ASP 300 N 0.00 0.00 0.11 0.53 8.00 -1.26 -1.95 116.55 121.99 2qha n ASP 300 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2qha n ASP 300 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 2qha n ASP 300 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2qha n GLU 301 N 14.00 0.13 0.02 -1.24 0.28 -1.26 -1.89 120.64 130.68 2qha n GLU 301 Ca 0.00 0.49 0.12 0.00 -0.16 0.00 0.00 57.16 57.61 2qha n GLU 301 Cb 0.00 -1.83 0.30 0.00 1.43 0.00 0.00 31.44 31.34 2qha n GLU 301 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2qha n TRP 302 N -2.09 0.18 -2.00 -1.84 8.01 -0.82 -4.33 117.44 114.55 2qha n TRP 302 Ca 0.01 0.05 -0.40 0.00 -1.31 0.00 0.00 57.50 55.85 2qha n TRP 302 Cb 0.13 -0.43 -0.01 0.00 -2.01 0.00 0.00 31.31 28.99 2qha n TRP 302 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2qha s SER 303 N -3.39 6.50 0.56 -0.99 0.15 -0.79 -4.59 113.70 111.14 2qha s SER 303 Ca 0.10 2.79 0.28 0.00 0.70 0.00 0.00 55.95 59.82 2qha s SER 303 Cb 0.16 -2.65 1.47 0.00 -1.71 0.00 0.00 66.02 63.30 2qha s SER 303 CO 0.67 -0.74 1.96 -0.65 1.20 0.00 0.00 173.24 175.68 2qha h PRO 304 N 3.05 0.00 0.00 5.44 0.11 -1.91 -1.72 132.00 136.97 2qha h PRO 304 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qha h PRO 304 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qha h PRO 304 CO 0.64 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.42 2qha h ALA 305 N 1.61 1.01 -0.05 -0.75 0.00 -1.90 -2.52 119.26 116.65 2qha h ALA 305 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qha h ALA 305 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qha h ALA 305 CO -0.00 0.01 0.00 1.33 0.00 0.00 0.00 179.25 180.59 2qha n VAL 306 N -3.11 1.90 -4.46 0.00 0.24 -0.67 -5.01 118.33 107.22 2qha n VAL 306 Ca -0.00 -2.12 -0.22 0.00 -2.04 0.00 0.00 64.34 59.96 2qha n VAL 306 Cb 0.25 -0.19 -0.06 0.00 -1.47 0.00 0.00 33.84 32.37 2qha n VAL 306 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2qha n ASN 307 N -1.20 1.49 -4.88 -1.34 3.02 -0.95 -3.01 115.26 108.39 2qha n ASN 307 Ca 0.16 -2.85 -0.30 0.00 -0.03 0.00 0.00 54.58 51.56 2qha n ASN 307 Cb 0.66 0.79 -0.02 0.00 -0.61 0.00 0.00 39.78 40.60 2qha n ASN 307 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qha s LYS 308 N -3.35 3.71 0.00 3.52 1.02 -0.23 -4.51 119.74 119.90 2qha s LYS 308 Ca 0.15 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.62 2qha s LYS 308 Cb 0.01 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2qha s LYS 308 CO 0.11 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 2qha n GLY 309 N -1.77 0.58 0.27 -3.33 0.00 -1.26 -0.64 105.19 99.04 2qha n GLY 309 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 2qha n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qha h ALA 310 N 0.00 0.92 -0.16 4.61 0.00 -1.79 -0.08 119.26 122.76 2qha h ALA 310 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qha h ALA 310 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qha h ALA 310 CO 0.00 0.16 0.06 0.77 0.00 0.00 0.00 179.25 180.25 2qha h SER 311 N 0.81 0.23 -0.99 0.00 0.02 -1.93 -0.58 113.55 111.10 2qha h SER 311 Ca 0.29 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2qha h SER 311 Cb 0.08 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2qha h SER 311 CO -0.13 0.33 0.66 0.00 -1.14 0.00 0.00 176.83 176.55 2qha h ALA 312 N 0.90 1.31 -0.11 3.77 0.00 -1.91 0.10 119.26 123.33 2qha h ALA 312 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qha h ALA 312 Cb 0.18 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qha h ALA 312 CO -0.00 0.62 0.04 1.25 0.00 0.00 0.00 179.25 181.16 2qha h LEU 313 N 1.32 0.16 0.00 0.00 5.85 -0.76 -2.26 115.31 119.62 2qha h LEU 313 Ca 0.37 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2qha h LEU 313 Cb -0.11 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2qha h LEU 313 CO -0.09 0.28 -0.27 1.88 -0.34 0.00 0.00 178.44 179.90 2qha h TYR 314 N 0.02 0.00 -0.12 1.25 -1.99 -0.80 -3.31 116.97 112.01 2qha h TYR 314 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2qha h TYR 314 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 2qha h TYR 314 CO -0.01 0.11 0.00 0.72 -0.00 0.00 0.00 178.16 178.98 2qha n HIS 315 N -3.06 0.14 -1.68 4.88 8.25 0.33 -4.82 115.22 119.26 2qha n HIS 315 Ca 0.03 -0.10 -0.40 0.00 -0.26 0.00 0.00 57.72 56.99 2qha n HIS 315 Cb 0.58 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.72 2qha n HIS 315 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2qha n ASP 316 N 0.97 1.95 0.25 0.41 2.03 -0.85 -4.85 116.55 116.46 2qha n ASP 316 Ca 0.11 1.00 0.17 0.00 0.52 0.00 0.00 54.79 56.59 2qha n ASP 316 Cb 0.44 -1.47 0.90 0.00 -0.72 0.00 0.00 41.12 40.27 2qha n ASP 316 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2qha h SER 317 N 1.47 0.00 1.74 1.67 4.64 -1.94 -1.40 113.55 119.73 2qha h SER 317 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 2qha h SER 317 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2qha h SER 317 CO 0.57 0.00 -0.26 -0.50 -0.87 0.00 0.00 176.83 175.76 2qha h TRP 318 N 0.00 0.00 -3.53 4.77 4.06 -1.91 0.13 115.95 119.47 2qha h TRP 318 Ca 0.05 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.48 2qha h TRP 318 Cb 0.36 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 2qha h TRP 318 CO 0.00 0.13 0.26 0.99 -3.56 0.00 0.00 178.44 176.26 2qha s THR 319 N -3.16 4.52 -0.15 1.49 2.01 -0.53 0.14 115.64 119.96 2qha s THR 319 Ca 0.05 1.86 -0.01 0.00 0.31 0.00 0.00 61.69 63.90 2qha s THR 319 Cb 0.06 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 2qha s THR 319 CO 0.70 0.39 -0.10 -0.76 -0.69 0.00 0.00 174.62 174.15 2qha s LEU 320 N -0.32 2.81 0.51 4.42 1.43 0.51 -4.68 118.68 123.35 2qha s LEU 320 Ca 0.42 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2qha s LEU 320 Cb -0.23 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2qha s LEU 320 CO 0.27 0.13 0.37 0.20 0.23 0.00 0.00 176.35 177.56 2qha s ASN 321 N 0.55 4.68 0.18 2.29 0.02 -1.26 -1.29 114.94 120.10 2qha s ASN 321 Ca -0.07 -1.14 -0.33 0.00 -1.02 0.00 0.00 52.86 50.30 2qha s ASN 321 Cb -0.15 0.13 -0.15 0.00 0.02 0.00 0.00 41.25 41.10 2qha s ASN 321 CO 0.03 -0.96 1.31 1.17 0.02 0.00 0.00 177.10 178.67 2qha n LYS 322 N -1.66 1.52 0.00 -0.60 4.81 -0.20 -1.14 118.16 120.89 2qha n LYS 322 Ca -0.01 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 2qha n LYS 322 Cb 0.64 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2qha n LYS 322 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qha n GLY 323 N 2.30 2.98 0.13 3.14 0.00 0.25 -4.78 105.19 109.20 2qha n GLY 323 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2qha n GLY 323 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qha n GLU 324 N -0.97 0.77 0.02 1.61 1.02 -0.29 -2.81 120.64 119.99 2qha n GLU 324 Ca 0.00 -0.26 0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2qha n GLU 324 Cb 0.00 -1.49 0.45 0.00 -0.02 0.00 0.00 31.44 30.38 2qha n GLU 324 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2qha n ILE 325 N -0.88 0.11 -4.39 -3.67 -5.35 -1.26 -4.87 119.36 99.04 2qha n ILE 325 Ca 0.15 -0.06 -0.34 0.00 -0.27 0.00 0.00 62.75 62.24 2qha n ILE 325 Cb 0.27 -0.27 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2qha n ILE 325 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 2qha s TRP 326 N -3.03 3.06 -0.58 4.28 0.52 -1.12 -1.22 118.94 120.85 2qha s TRP 326 Ca 0.12 0.09 -0.02 0.00 0.02 0.00 0.00 56.10 56.31 2qha s TRP 326 Cb 0.17 -1.71 0.15 0.00 -1.15 0.00 0.00 33.47 30.93 2qha s TRP 326 CO 0.60 0.43 0.38 -0.80 0.02 0.00 0.00 176.95 177.59 2qha s ASN 327 N -1.19 5.16 1.77 2.95 0.01 0.43 -4.73 114.94 119.35 2qha s ASN 327 Ca 0.16 -2.73 0.00 0.00 -0.71 0.00 0.00 52.86 49.58 2qha s ASN 327 Cb -0.11 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.72 2qha s ASN 327 CO 0.06 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 2qha n GLY 328 N 3.64 3.92 1.08 0.66 0.00 -1.26 -2.81 105.19 110.43 2qha n GLY 328 Ca 0.06 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.20 2qha n GLY 328 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qha n ASP 329 N 9.00 3.47 -4.35 1.61 8.00 -1.26 -4.89 116.55 128.14 2qha n ASP 329 Ca 0.00 -1.97 -0.28 0.00 0.71 0.00 0.00 54.79 53.25 2qha n ASP 329 Cb 0.00 -0.34 -0.14 0.00 -0.02 0.00 0.00 41.12 40.63 2qha n ASP 329 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2qha s SER 330 N -1.13 3.08 0.72 -2.24 0.01 -1.12 -5.13 113.70 107.88 2qha s SER 330 Ca 0.38 -0.66 -0.15 0.00 1.31 0.00 0.00 55.95 56.83 2qha s SER 330 Cb 0.21 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 66.23 2qha s SER 330 CO 0.28 0.19 1.21 -0.76 0.41 0.00 0.00 173.24 174.57 2qha s LEU 331 N -1.64 3.35 0.68 2.44 1.43 -1.26 -0.43 118.68 123.24 2qha s LEU 331 Ca 0.12 2.35 -0.17 0.00 -1.03 0.00 0.00 54.13 55.40 2qha s LEU 331 Cb -0.10 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 41.54 2qha s LEU 331 CO 0.04 -2.19 1.24 0.42 0.23 0.00 0.00 176.35 176.09 2qha s THR 332 N -1.96 2.26 0.29 5.49 -4.23 -0.36 -4.53 115.64 112.62 2qha s THR 332 Ca 0.74 0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 61.11 2qha s THR 332 Cb -0.29 -2.90 -0.13 0.00 1.34 0.00 0.00 72.50 70.52 2qha s THR 332 CO 0.44 -0.05 1.30 -2.65 -0.54 0.00 0.00 174.62 173.13 2qha n PRO 333 N -2.22 2.00 -2.20 3.99 -0.02 -1.26 -4.95 135.00 130.33 2qha n PRO 333 Ca 0.14 0.71 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 2qha n PRO 333 Cb 0.49 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 2qha n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qha s ILE 334 N -0.68 2.92 -0.16 4.25 1.01 -1.26 -5.04 121.20 122.23 2qha s ILE 334 Ca 0.61 0.87 -0.03 0.00 0.00 0.00 0.00 60.65 62.10 2qha s ILE 334 Cb -0.62 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 2qha s ILE 334 CO 0.57 0.17 -0.06 -0.69 0.00 0.00 0.00 174.94 174.92 2qha s VAL 335 N -1.23 3.53 -2.51 2.92 1.01 -1.26 -5.16 120.40 117.71 2qha s VAL 335 Ca 0.51 -0.47 0.28 0.00 0.00 0.00 0.00 61.98 62.30 2qha s VAL 335 Cb -0.36 -2.55 0.54 0.00 0.00 0.00 0.00 36.38 34.02 2qha s VAL 335 CO 0.47 0.48 1.74 -0.62 0.00 0.00 0.00 175.10 177.17