#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g68 s THR 2 N 0.00 0.00 0.24 2.61 -4.23 -1.26 -5.09 115.64 107.90 3g68 s THR 2 Ca 0.00 -1.27 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 3g68 s THR 2 Cb 0.00 -2.20 0.20 0.00 1.34 0.00 0.00 72.50 71.84 3g68 s THR 2 CO 0.00 0.00 1.76 0.40 -0.54 0.00 0.00 174.62 176.24 3g68 h ILE 3 N 2.16 0.78 -0.84 2.99 2.04 -1.92 -1.78 117.51 120.92 3g68 h ILE 3 Ca -0.24 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 3g68 h ILE 3 Cb 1.25 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3g68 h ILE 3 CO 0.32 0.10 0.41 1.56 0.00 0.00 0.00 178.15 180.55 3g68 h GLN 4 N 0.57 1.21 -0.21 2.37 7.50 -1.93 -2.48 115.11 122.14 3g68 h GLN 4 Ca 0.39 -0.17 0.02 0.00 0.50 0.00 0.00 58.65 59.38 3g68 h GLN 4 Cb 0.48 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.77 3g68 h GLN 4 CO -0.32 0.92 0.09 -0.44 -1.50 0.00 0.00 178.83 177.59 3g68 h ASP 5 N 1.20 0.12 0.00 1.46 3.32 -1.80 0.03 116.42 120.76 3g68 h ASP 5 Ca 0.29 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3g68 h ASP 5 Cb 0.11 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3g68 h ASP 5 CO -0.04 0.10 0.00 -1.22 -1.72 0.00 0.00 179.24 176.36 3g68 n TYR 6 N -5.02 0.00 0.00 4.55 4.01 -0.74 -1.62 117.16 118.34 3g68 n TYR 6 Ca -0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3g68 n TYR 6 Cb 0.06 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3g68 n TYR 6 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3g68 n LEU 8 N 0.77 0.00 0.24 7.72 4.77 -0.00 -2.82 117.00 127.68 3g68 n LEU 8 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3g68 n LEU 8 Cb 0.15 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.72 3g68 n LEU 8 CO 0.00 0.00 0.86 -0.08 -1.33 0.00 0.00 177.39 176.84 3g68 h GLU 9 N 0.00 0.00 -0.10 3.23 4.81 -1.56 -3.39 114.58 117.58 3g68 h GLU 9 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3g68 h GLU 9 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3g68 h GLU 9 CO 0.00 0.12 -0.17 1.15 -0.73 0.00 0.00 179.01 179.39 3g68 h THR 10 N 0.00 0.57 -0.97 0.32 2.02 -1.81 -2.53 112.91 110.51 3g68 h THR 10 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 3g68 h THR 10 Cb 0.73 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 67.62 3g68 h THR 10 CO 0.02 0.00 0.59 -0.65 0.37 0.00 0.00 175.52 175.85 3g68 h PRO 11 N -0.22 0.88 -0.41 6.66 0.11 -1.90 -2.62 132.00 134.51 3g68 h PRO 11 Ca 0.09 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3g68 h PRO 11 Cb 0.35 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3g68 h PRO 11 CO -0.23 0.59 0.18 0.28 -0.21 0.00 0.00 178.00 178.60 3g68 h VAL 12 N 0.91 1.19 0.00 3.15 2.07 -1.74 -1.95 116.25 119.88 3g68 h VAL 12 Ca 0.49 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3g68 h VAL 12 Cb 0.54 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3g68 h VAL 12 CO -0.29 0.20 0.00 0.54 0.02 0.00 0.00 177.57 178.05 3g68 n ARG 13 N -4.66 0.31 0.00 1.57 5.12 -0.99 -2.19 116.66 115.82 3g68 n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3g68 n ARG 13 Cb 0.13 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 3g68 n ARG 13 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g68 n ARG 15 N 0.78 0.00 -0.22 5.56 1.74 -0.73 -1.55 116.66 122.23 3g68 n ARG 15 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3g68 n ARG 15 Cb 0.15 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.62 3g68 n ARG 15 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3g68 h GLU 16 N 0.00 1.01 -0.38 5.56 5.08 -1.71 -1.98 114.58 122.16 3g68 h GLU 16 Ca 0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3g68 h GLU 16 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3g68 h GLU 16 CO 0.00 0.92 0.15 0.82 -1.00 0.00 0.00 179.01 179.90 3g68 h ILE 17 N 0.93 1.19 -0.22 3.13 2.04 -1.57 -1.48 117.51 121.53 3g68 h ILE 17 Ca 0.19 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3g68 h ILE 17 Cb 0.38 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3g68 h ILE 17 CO 0.00 0.21 0.04 0.40 0.00 0.00 0.00 178.15 178.81 3g68 h ILE 18 N 0.47 0.90 0.00 -0.67 2.04 -1.81 -2.31 117.51 116.13 3g68 h ILE 18 Ca 0.13 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 3g68 h ILE 18 Cb 0.19 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3g68 h ILE 18 CO -0.01 0.02 -0.11 0.28 0.00 0.00 0.00 178.15 178.34 3g68 h SER 19 N 0.13 0.00 -0.15 1.72 0.02 -1.17 -2.59 113.55 111.51 3g68 h SER 19 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3g68 h SER 19 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3g68 h SER 19 CO -0.13 0.11 0.00 -3.20 -1.14 0.00 0.00 176.83 172.46 3g68 n ASN 20 N -3.74 2.32 -0.22 3.07 5.15 -0.57 -4.55 115.26 116.72 3g68 n ASN 20 Ca -0.02 -1.79 -0.08 0.00 -0.60 0.00 0.00 54.58 52.09 3g68 n ASN 20 Cb 0.21 -0.09 0.03 0.00 -0.53 0.00 0.00 39.78 39.40 3g68 n ASN 20 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g68 h ALA 21 N 4.37 0.81 -0.77 5.20 0.00 -1.01 -0.71 119.26 127.15 3g68 h ALA 21 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3g68 h ALA 21 Cb 0.71 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3g68 h ALA 21 CO 0.00 0.55 0.51 -0.44 0.00 0.00 0.00 179.25 179.87 3g68 h ASP 22 N 0.92 0.81 0.03 0.00 3.32 -1.80 -1.64 116.42 118.06 3g68 h ASP 22 Ca 0.19 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3g68 h ASP 22 Cb 0.39 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3g68 h ASP 22 CO 0.01 0.55 -0.02 -1.28 -1.72 0.00 0.00 179.24 176.78 3g68 h SER 23 N 0.94 -0.04 -0.73 6.45 0.87 -1.79 -3.14 113.55 116.11 3g68 h SER 23 Ca 0.31 -0.64 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3g68 h SER 23 Cb 0.07 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 3g68 h SER 23 CO -0.09 0.66 0.45 0.25 -0.53 0.00 0.00 176.83 177.57 3g68 h LEU 24 N -0.77 0.87 -2.57 2.23 5.85 -1.01 -3.02 115.31 116.89 3g68 h LEU 24 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3g68 h LEU 24 Cb 0.68 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3g68 h LEU 24 CO 0.01 0.66 0.00 0.49 -0.34 0.00 0.00 178.44 179.26 3g68 n PHE 25 N -4.53 0.96 0.02 1.25 3.72 -0.63 -4.60 117.46 113.65 3g68 n PHE 25 Ca 0.07 -0.47 0.04 0.00 -0.05 0.00 0.00 57.45 57.03 3g68 n PHE 25 Cb 0.05 -0.02 0.42 0.00 -0.94 0.00 0.00 39.48 38.98 3g68 n PHE 25 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3g68 h ASN 26 N 4.03 0.44 0.00 4.37 -1.24 -1.47 -2.31 115.58 119.39 3g68 h ASN 26 Ca 0.00 -0.02 -0.17 0.00 0.71 0.00 0.00 56.30 56.81 3g68 h ASN 26 Cb 0.96 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.87 3g68 h ASN 26 CO 0.02 0.35 -0.98 -0.33 -1.29 0.00 0.00 177.43 175.20 3g68 h GLU 27 N 0.51 0.00 -0.26 6.67 5.08 -1.83 -3.38 114.58 121.37 3g68 h GLU 27 Ca 0.13 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3g68 h GLU 27 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3g68 h GLU 27 CO -0.02 0.92 0.18 -0.24 -1.00 0.00 0.00 179.01 178.84 3g68 h VAL 28 N -1.00 1.01 0.00 3.13 3.04 -1.86 -1.82 116.25 118.75 3g68 h VAL 28 Ca -0.26 -0.09 -0.03 0.00 -1.01 0.00 0.00 66.70 65.31 3g68 h VAL 28 Cb 1.18 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 31.19 3g68 h VAL 28 CO -0.16 0.05 -0.14 0.07 -1.01 0.00 0.00 177.57 176.37 3g68 h LYS 29 N 0.25 0.00 0.00 4.17 2.10 -1.59 -2.75 116.57 118.75 3g68 h LYS 29 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 3g68 h LYS 29 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3g68 h LYS 29 CO -0.02 0.14 -0.19 0.54 -2.00 0.00 0.00 179.45 177.93 3g68 n ARG 30 N -3.62 0.18 -1.15 0.07 1.74 -0.68 -4.79 116.66 108.40 3g68 n ARG 30 Ca -0.02 0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.88 3g68 n ARG 30 Cb 0.27 -1.68 0.13 0.00 -1.02 0.00 0.00 32.46 30.17 3g68 n ARG 30 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3g68 s THR 31 N -3.08 2.79 -0.42 0.55 -4.23 -1.04 -5.00 115.64 105.21 3g68 s THR 31 Ca 0.11 0.26 -0.18 0.00 -1.18 0.00 0.00 61.69 60.69 3g68 s THR 31 Cb 0.15 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.32 3g68 s THR 31 CO 0.62 -0.34 0.51 0.21 -0.54 0.00 0.00 174.62 175.08 3g68 s ASN 32 N -3.31 6.25 -0.08 3.99 2.47 -1.26 -5.06 114.94 117.94 3g68 s ASN 32 Ca 0.63 -0.51 0.04 0.00 0.42 0.00 0.00 52.86 53.45 3g68 s ASN 32 Cb -0.18 -2.26 -0.00 0.00 -1.45 0.00 0.00 41.25 37.36 3g68 s ASN 32 CO 0.57 -0.64 -0.23 -0.76 -3.72 0.00 0.00 177.10 172.33 3g68 s LEU 33 N 2.38 2.03 -0.00 3.21 1.43 -1.26 -4.46 118.68 122.01 3g68 s LEU 33 Ca 0.16 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3g68 s LEU 33 Cb -0.16 -1.31 -0.07 0.00 0.03 0.00 0.00 46.19 44.68 3g68 s LEU 33 CO 0.15 0.17 0.19 2.29 0.23 0.00 0.00 176.35 179.38 3g68 n LYS 34 N 3.37 2.98 -3.64 1.70 -0.00 0.40 -4.93 118.16 118.03 3g68 n LYS 34 Ca -0.19 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.31 57.95 3g68 n LYS 34 Cb 0.53 -0.93 -0.08 0.00 -0.00 0.00 0.00 35.03 34.55 3g68 n LYS 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3g68 s LYS 35 N -1.91 0.80 -0.09 -1.58 2.20 -0.92 -3.65 119.74 114.58 3g68 s LYS 35 Ca 0.00 0.43 0.03 0.00 -0.36 0.00 0.00 55.97 56.07 3g68 s LYS 35 Cb 0.04 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.74 3g68 s LYS 35 CO 0.23 -0.18 -0.19 0.42 -0.36 0.00 0.00 175.35 175.28 3g68 s ILE 36 N -0.50 1.65 -0.16 5.43 1.01 -0.01 -0.85 121.20 127.78 3g68 s ILE 36 Ca -0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 3g68 s ILE 36 Cb -0.03 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 3g68 s ILE 36 CO 0.04 0.47 -0.13 -0.63 0.00 0.00 0.00 174.94 174.69 3g68 s ILE 37 N 0.55 2.89 -0.20 2.92 1.01 -0.41 -1.13 121.20 126.85 3g68 s ILE 37 Ca -0.15 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 3g68 s ILE 37 Cb -0.17 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3g68 s ILE 37 CO 0.05 0.51 0.03 -0.63 0.00 0.00 0.00 174.94 174.90 3g68 s ILE 38 N 0.74 4.29 0.01 2.92 1.01 -0.06 0.10 121.20 130.21 3g68 s ILE 38 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3g68 s ILE 38 Cb -0.15 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 3g68 s ILE 38 CO 0.01 0.43 -0.02 0.28 0.00 0.00 0.00 174.94 175.64 3g68 s THR 39 N 0.84 0.15 -0.08 2.92 -1.32 -0.20 -4.29 115.64 113.66 3g68 s THR 39 Ca 0.02 -0.40 -0.31 0.00 -1.21 0.00 0.00 61.69 59.79 3g68 s THR 39 Cb -0.14 -0.19 0.12 0.00 -1.51 0.00 0.00 72.50 70.78 3g68 s THR 39 CO 0.02 -0.16 1.39 -0.83 -2.21 0.00 0.00 174.62 172.83 3g68 s GLY 40 N -0.58 -0.34 0.25 6.08 0.00 -1.26 -0.73 107.32 110.73 3g68 s GLY 40 Ca -0.05 0.50 0.06 0.00 0.00 0.00 0.00 44.72 45.24 3g68 s GLY 40 CO -0.00 3.70 0.24 -0.56 0.00 0.00 0.00 173.10 176.48 3g68 s SER 41 N -3.51 5.74 0.21 1.64 0.01 -1.26 -3.57 113.70 112.96 3g68 s SER 41 Ca 0.24 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.34 3g68 s SER 41 Cb 0.03 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.74 3g68 s SER 41 CO -0.04 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.17 3g68 n GLY 42 N -1.24 2.46 0.37 3.44 0.00 -1.26 -1.17 105.19 107.78 3g68 n GLY 42 Ca -0.08 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3g68 n GLY 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g68 h THR 43 N 0.00 0.83 -0.31 2.61 2.02 -1.98 -0.30 112.91 115.78 3g68 h THR 43 Ca 0.00 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 3g68 h THR 43 Cb 0.00 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3g68 h THR 43 CO 0.00 0.08 -0.04 0.28 0.37 0.00 0.00 175.52 176.20 3g68 h SER 44 N 0.41 0.58 -0.53 4.18 0.02 -1.46 -1.63 113.55 115.12 3g68 h SER 44 Ca 0.34 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3g68 h SER 44 Cb 0.74 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 3g68 h SER 44 CO -0.10 0.78 0.19 0.22 -1.14 0.00 0.00 176.83 176.79 3g68 h TYR 45 N 0.36 0.34 -0.39 3.45 3.20 -0.63 -2.27 116.97 121.03 3g68 h TYR 45 Ca 0.08 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3g68 h TYR 45 Cb 0.51 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 3g68 h TYR 45 CO 0.05 0.10 0.13 0.45 -1.64 0.00 0.00 178.16 177.25 3g68 h HIS 46 N 0.38 0.55 -0.71 -3.82 3.86 -0.86 -0.85 115.15 113.69 3g68 h HIS 46 Ca 0.26 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3g68 h HIS 46 Cb 0.28 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 3g68 h HIS 46 CO -0.16 0.46 0.46 0.66 0.86 0.00 0.00 177.93 180.20 3g68 h SER 47 N 0.55 0.83 -0.42 2.45 4.64 -0.71 -0.21 113.55 120.69 3g68 h SER 47 Ca 0.13 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 3g68 h SER 47 Cb 0.16 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3g68 h SER 47 CO -0.01 0.62 0.10 1.23 -0.87 0.00 0.00 176.83 177.91 3g68 h GLY 48 N 0.97 0.72 0.79 -0.77 0.00 -1.08 -1.89 103.07 101.81 3g68 h GLY 48 Ca 0.26 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3g68 h GLY 48 CO -0.05 0.42 0.35 -2.08 0.00 0.00 0.00 176.54 175.17 3g68 h VAL 49 N 0.54 1.02 -0.28 4.60 2.07 -0.89 -0.33 116.25 122.98 3g68 h VAL 49 Ca 0.13 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3g68 h VAL 49 Cb 0.31 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3g68 h VAL 49 CO 0.00 0.12 -0.18 -0.61 0.02 0.00 0.00 177.57 176.92 3g68 h GLN 50 N 0.67 0.61 0.00 1.57 5.75 -0.89 -3.33 115.11 119.50 3g68 h GLN 50 Ca 0.25 -0.29 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 3g68 h GLN 50 Cb 0.09 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 3g68 h GLN 50 CO -0.13 0.88 -1.13 0.28 -2.65 0.00 0.00 178.83 176.07 3g68 h VAL 51 N 0.35 0.21 -0.78 2.39 2.07 -1.27 -3.38 116.25 115.84 3g68 h VAL 51 Ca 0.06 -1.41 0.18 0.00 0.82 0.00 0.00 66.70 66.35 3g68 h VAL 51 Cb 0.72 1.73 -0.13 0.00 -1.52 0.00 0.00 31.29 32.10 3g68 h VAL 51 CO 0.05 0.12 0.11 -0.61 0.02 0.00 0.00 177.57 177.26 3g68 h GLN 52 N 0.00 0.17 -0.45 1.57 -0.00 -1.16 -0.59 115.11 114.65 3g68 h GLN 52 Ca -0.06 -0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.60 3g68 h GLN 52 Cb 1.24 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.64 3g68 h GLN 52 CO 0.02 0.11 0.25 -1.35 0.00 0.00 0.00 178.83 177.86 3g68 h PRO 53 N 0.18 0.49 -0.55 -2.39 0.11 -1.78 0.13 132.00 128.19 3g68 h PRO 53 Ca 0.45 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.61 3g68 h PRO 53 Cb 0.81 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.74 3g68 h PRO 53 CO -0.61 0.32 0.17 -0.92 -0.21 0.00 0.00 178.00 176.75 3g68 h TYR 54 N 0.50 0.30 -0.50 0.65 3.20 -1.40 -0.56 116.97 119.16 3g68 h TYR 54 Ca 0.19 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 3g68 h TYR 54 Cb 0.05 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3g68 h TYR 54 CO -0.08 0.06 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.36 3g68 h LEU 55 N 0.34 0.92 -0.98 2.82 3.38 -0.83 -0.05 115.31 120.90 3g68 h LEU 55 Ca 0.27 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3g68 h LEU 55 Cb 0.34 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3g68 h LEU 55 CO -0.30 1.04 0.53 -0.61 0.09 0.00 0.00 178.44 179.19 3g68 h GLN 56 N 0.79 1.24 -0.41 1.13 5.75 -0.17 0.17 115.11 123.60 3g68 h GLN 56 Ca 0.13 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 3g68 h GLN 56 Cb 0.61 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 3g68 h GLN 56 CO 0.04 0.88 -0.08 -0.97 -2.65 0.00 0.00 178.83 176.05 3g68 h ASN 57 N 1.26 0.78 -0.02 -0.69 -0.73 -0.78 -3.35 115.58 112.05 3g68 h ASN 57 Ca 0.32 -0.35 -0.02 0.00 1.87 0.00 0.00 56.30 58.13 3g68 h ASN 57 Cb -0.03 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.35 3g68 h ASN 57 CO -0.06 0.95 -0.05 0.25 -0.37 0.00 0.00 177.43 178.15 3g68 h LEU 58 N 0.60 0.07-10.56 0.34 5.85 -0.56 -3.47 115.31 107.58 3g68 h LEU 58 Ca 0.11 -0.61 -0.45 0.00 0.84 0.00 0.00 57.88 57.77 3g68 h LEU 58 Cb 0.60 -0.02 0.07 0.00 0.37 0.00 0.00 40.66 41.67 3g68 h LEU 58 CO 0.04 0.67 0.11 -0.76 -0.34 0.00 0.00 178.44 178.16 3g68 s LEU 59 N -8.95 3.01 -0.17 2.25 1.43 0.01 -4.99 118.68 111.28 3g68 s LEU 59 Ca -0.16 0.17 0.16 0.00 -1.03 0.00 0.00 54.13 53.27 3g68 s LEU 59 Cb 0.01 -2.87 0.59 0.00 0.03 0.00 0.00 46.19 43.95 3g68 s LEU 59 CO 0.69 -1.47 1.50 0.47 0.23 0.00 0.00 176.35 177.78 3g68 n ASP 60 N -2.70 4.31 -4.17 2.29 8.00 -1.26 -4.86 116.55 118.16 3g68 n ASP 60 Ca 0.09 -2.85 -0.16 0.00 0.71 0.00 0.00 54.79 52.58 3g68 n ASP 60 Cb 0.60 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 3g68 n ASP 60 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3g68 s ILE 61 N -2.55 1.02 0.27 0.53 -4.36 -1.26 -5.06 121.20 109.79 3g68 s ILE 61 Ca 0.44 -1.49 -0.30 0.00 -0.26 0.00 0.00 60.65 59.04 3g68 s ILE 61 Cb 0.34 -1.22 -0.11 0.00 1.25 0.00 0.00 42.46 42.72 3g68 s ILE 61 CO 0.13 -0.41 1.51 -1.81 0.24 0.00 0.00 174.94 174.60 3g68 s ASP 62 N -2.14 6.51 -0.14 4.36 -0.00 -1.24 -4.86 116.67 119.17 3g68 s ASP 62 Ca 0.02 2.81 0.01 0.00 -0.00 0.00 0.00 52.55 55.39 3g68 s ASP 62 Cb -0.06 -2.63 0.02 0.00 -0.00 0.00 0.00 42.92 40.25 3g68 s ASP 62 CO 0.01 -0.80 -0.16 -0.69 -0.00 0.00 0.00 175.17 173.53 3g68 s VAL 63 N -0.05 1.68 0.09 -1.27 1.01 -1.26 -0.83 120.40 119.78 3g68 s VAL 63 Ca 0.61 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3g68 s VAL 63 Cb -0.45 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3g68 s VAL 63 CO 0.46 0.48 -0.10 0.68 0.00 0.00 0.00 175.10 176.62 3g68 s VAL 64 N 1.25 0.89 0.49 2.92 -7.23 -0.28 -4.82 120.40 113.62 3g68 s VAL 64 Ca 0.00 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 3g68 s VAL 64 Cb -0.14 -1.31 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 3g68 s VAL 64 CO -0.08 -0.55 0.00 -1.59 -0.31 0.00 0.00 175.10 172.58 3g68 s LYS 65 N -2.72 2.16 0.10 4.82 0.00 -1.26 -0.89 119.74 121.96 3g68 s LYS 65 Ca 0.04 -2.35 -0.07 0.00 0.00 0.00 0.00 55.97 53.59 3g68 s LYS 65 Cb -0.03 -1.55 -0.06 0.00 0.00 0.00 0.00 37.83 36.19 3g68 s LYS 65 CO -0.00 -0.31 0.38 0.71 0.00 0.00 0.00 175.35 176.12 3g68 s TYR 67 N -2.85 3.53 0.34 1.78 2.02 -1.26 -4.93 117.35 115.97 3g68 s TYR 67 Ca 0.10 0.65 0.04 0.00 -0.37 0.00 0.00 57.07 57.49 3g68 s TYR 67 Cb 0.03 -2.07 0.65 0.00 -0.40 0.00 0.00 41.96 40.18 3g68 s TYR 67 CO 0.05 0.48 1.94 -1.35 -1.57 0.00 0.00 175.55 175.11 3g68 h PRO 68 N 3.29 0.84 -2.00 -1.71 0.11 -1.88 -3.26 132.00 127.39 3g68 h PRO 68 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3g68 h PRO 68 Cb 1.18 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3g68 h PRO 68 CO 0.69 0.56 0.00 1.97 -0.21 0.00 0.00 178.00 181.01 3g68 n PHE 69 N -4.48 0.00 -1.12 0.65 1.16 -1.26 -4.79 117.46 107.62 3g68 n PHE 69 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 3g68 n PHE 69 Cb 0.21 -0.25 0.00 0.00 -1.61 0.00 0.00 39.48 37.83 3g68 n PHE 69 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 3g68 n ILE 71 N 1.99 0.00 -4.08 1.97 2.08 -1.23 -5.17 119.36 114.93 3g68 n ILE 71 Ca 0.00 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.18 3g68 n ILE 71 Cb 0.00 -0.29 -0.05 0.00 -0.75 0.00 0.00 39.64 38.55 3g68 n ILE 71 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3g68 s THR 72 N -0.17 0.00 0.56 1.39 -4.23 -1.26 -4.97 115.64 106.97 3g68 s THR 72 Ca 0.00 -1.60 0.25 0.00 -1.18 0.00 0.00 61.69 59.16 3g68 s THR 72 Cb 0.00 -2.52 0.34 0.00 1.34 0.00 0.00 72.50 71.67 3g68 s THR 72 CO 0.00 0.00 2.12 -0.33 -0.54 0.00 0.00 174.62 175.87 3g68 h GLU 73 N 2.20 0.00 0.00 3.99 3.07 -1.99 -0.79 114.58 121.06 3g68 h GLU 73 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3g68 h GLU 73 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3g68 h GLU 73 CO 0.39 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.56 3g68 h ASP 74 N 0.00 0.00 0.66 1.42 3.32 -2.03 -2.94 116.42 116.85 3g68 h ASP 74 Ca 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3g68 h ASP 74 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3g68 h ASP 74 CO -0.00 0.00 -0.04 0.74 -1.72 0.00 0.00 179.24 178.22 3g68 h THR 75 N 0.00 0.14 -1.14 0.35 2.02 -1.54 -3.35 112.91 109.39 3g68 h THR 75 Ca 0.00 -0.45 -0.49 0.00 0.77 0.00 0.00 66.41 66.24 3g68 h THR 75 Cb 0.47 1.38 -0.42 0.00 -1.74 0.00 0.00 68.15 67.85 3g68 h THR 75 CO 0.00 0.04 -0.90 0.49 0.37 0.00 0.00 175.52 175.52 3g68 n PHE 76 N -3.21 2.54 0.12 3.16 3.72 -1.11 -4.94 117.46 117.75 3g68 n PHE 76 Ca -0.01 -2.78 0.01 0.00 -0.05 0.00 0.00 57.45 54.63 3g68 n PHE 76 Cb 0.25 -0.22 0.35 0.00 -0.94 0.00 0.00 39.48 38.93 3g68 n PHE 76 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3g68 h LYS 77 N 2.61 0.21 0.00 -1.08 6.56 -1.74 -3.46 116.57 119.67 3g68 h LYS 77 Ca 0.17 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 3g68 h LYS 77 Cb 1.13 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 3g68 h LYS 77 CO 0.68 0.42 0.00 1.19 -2.06 0.00 0.00 179.45 179.69 3g68 n PHE 78 N -4.20 -0.61 -1.53 -1.35 3.72 -1.26 -5.04 117.46 107.19 3g68 n PHE 78 Ca -0.01 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.94 3g68 n PHE 78 Cb 0.33 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 3g68 n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3g68 n ASP 79 N -1.34 2.57 -1.17 4.37 -0.08 -1.26 -4.85 116.55 114.80 3g68 n ASP 79 Ca 0.00 0.16 0.08 0.00 -1.51 0.00 0.00 54.79 53.52 3g68 n ASP 79 Cb 0.00 -1.43 0.29 0.00 2.34 0.00 0.00 41.12 42.32 3g68 n ASP 79 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3g68 n ASN 80 N 11.67 4.18 -0.20 1.67 3.02 -1.26 -4.67 115.26 129.68 3g68 n ASN 80 Ca 0.37 -2.62 0.16 0.00 -0.03 0.00 0.00 54.58 52.46 3g68 n ASN 80 Cb 0.37 -0.51 0.48 0.00 -0.61 0.00 0.00 39.78 39.52 3g68 n ASN 80 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3g68 h GLU 81 N 2.82 0.45 -0.66 3.52 3.07 -1.84 -0.67 114.58 121.26 3g68 h GLU 81 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3g68 h GLU 81 Cb 1.36 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3g68 h GLU 81 CO 0.21 0.30 0.00 0.09 -1.40 0.00 0.00 179.01 178.21 3g68 n ASN 82 N -4.50 4.83 -4.51 1.42 3.02 -1.26 -4.56 115.26 109.69 3g68 n ASN 82 Ca 0.16 -2.74 -0.36 0.00 -0.03 0.00 0.00 54.58 51.61 3g68 n ASN 82 Cb 0.56 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.97 3g68 n ASN 82 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g68 s THR 83 N -2.40 4.52 -0.26 3.41 2.01 -0.26 0.15 115.64 122.80 3g68 s THR 83 Ca 0.44 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 3g68 s THR 83 Cb 0.34 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 3g68 s THR 83 CO 0.13 0.37 0.15 -0.22 -0.69 0.00 0.00 174.62 174.36 3g68 s LEU 84 N 1.21 3.84 -0.29 4.42 2.96 -0.03 -0.78 118.68 130.00 3g68 s LEU 84 Ca 0.05 -0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.76 3g68 s LEU 84 Cb -0.14 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 3g68 s LEU 84 CO 0.04 -0.03 0.33 -0.69 -1.32 0.00 0.00 176.35 174.68 3g68 s VAL 85 N 1.62 5.20 -0.45 1.68 1.01 0.51 -1.28 120.40 128.68 3g68 s VAL 85 Ca 0.07 0.33 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 3g68 s VAL 85 Cb -0.15 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.58 3g68 s VAL 85 CO 0.08 0.10 0.36 -0.69 0.00 0.00 0.00 175.10 174.95 3g68 s VAL 86 N 1.99 5.21 -0.11 2.92 1.01 0.12 -1.02 120.40 130.51 3g68 s VAL 86 Ca 0.12 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 3g68 s VAL 86 Cb -0.16 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3g68 s VAL 86 CO 0.11 -0.50 0.82 -0.83 0.00 0.00 0.00 175.10 174.69 3g68 s GLY 87 N 2.33 2.41 -0.17 4.51 0.00 0.01 -1.04 107.32 115.38 3g68 s GLY 87 Ca 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 3g68 s GLY 87 CO 0.07 1.52 -0.13 0.14 0.00 0.00 0.00 173.10 174.70 3g68 s VAL 88 N 1.52 2.77 -0.28 1.40 1.01 0.09 -4.31 120.40 122.61 3g68 s VAL 88 Ca 0.41 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3g68 s VAL 88 Cb -0.18 -2.19 0.17 0.00 0.00 0.00 0.00 36.38 34.18 3g68 s VAL 88 CO 0.17 0.50 0.53 -0.55 0.00 0.00 0.00 175.10 175.75 3g68 s SER 89 N 0.97 -0.89 0.17 3.32 0.15 -1.26 -4.37 113.70 111.79 3g68 s SER 89 Ca -0.02 0.72 -0.15 0.00 0.70 0.00 0.00 55.95 57.20 3g68 s SER 89 Cb -0.15 1.86 0.07 0.00 -1.71 0.00 0.00 66.02 66.09 3g68 s SER 89 CO -0.02 -0.27 1.81 -0.61 1.20 0.00 0.00 173.24 175.35 3g68 h GLN 90 N 8.06 0.56 0.00 5.44 4.15 -1.96 -0.52 115.11 130.82 3g68 h GLN 90 Ca -0.22 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3g68 h GLN 90 Cb 1.16 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.72 3g68 h GLN 90 CO 0.26 0.37 0.00 0.78 -1.93 0.00 0.00 178.83 178.30 3g68 h GLY 91 N 0.57 0.00 0.00 2.39 0.00 -1.96 0.65 103.07 104.72 3g68 h GLY 91 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3g68 h GLY 91 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.07 3g68 n GLY 92 N 0.40 0.63 1.21 4.60 0.00 -0.20 -4.82 105.19 107.01 3g68 n GLY 92 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3g68 n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g68 n SER 93 N 0.00 1.26 -4.66 1.61 3.41 -1.26 -1.48 113.62 112.50 3g68 n SER 93 Ca 0.00 -2.65 -0.43 0.00 -0.26 0.00 0.00 58.87 55.53 3g68 n SER 93 Cb 0.00 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 3g68 n SER 93 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3g68 s SER 94 N -2.44 6.98 0.21 4.04 0.01 -1.26 -4.92 113.70 116.31 3g68 s SER 94 Ca 0.35 1.65 -0.09 0.00 1.31 0.00 0.00 55.95 59.17 3g68 s SER 94 Cb 0.38 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 64.22 3g68 s SER 94 CO -0.13 -0.74 1.80 1.88 0.41 0.00 0.00 173.24 176.45 3g68 h TYR 95 N 8.05 1.10 -0.25 2.43 -1.99 -1.96 0.25 116.97 124.59 3g68 h TYR 95 Ca -0.26 -0.05 0.06 0.00 2.00 0.00 0.00 58.73 60.48 3g68 h TYR 95 Cb 1.10 -0.34 -0.08 0.00 2.00 0.00 0.00 36.73 39.41 3g68 h TYR 95 CO 0.79 0.81 -0.32 0.66 -0.00 0.00 0.00 178.16 180.10 3g68 h SER 96 N 1.07 -1.01 -0.11 3.88 4.64 -1.96 0.32 113.55 120.38 3g68 h SER 96 Ca 0.26 0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.73 3g68 h SER 96 Cb 0.12 0.45 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3g68 h SER 96 CO -0.03 -0.34 -0.00 0.74 -0.87 0.00 0.00 176.83 176.33 3g68 h THR 97 N -0.32 1.26 -0.64 2.95 2.02 -1.83 -2.35 112.91 114.00 3g68 h THR 97 Ca 0.13 -0.83 0.10 0.00 0.77 0.00 0.00 66.41 66.58 3g68 h THR 97 Cb 0.53 1.59 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 3g68 h THR 97 CO -0.43 0.24 0.25 1.88 0.37 0.00 0.00 175.52 177.83 3g68 h TYR 98 N -0.08 0.44 -0.56 3.16 0.99 -0.21 -2.65 116.97 118.06 3g68 h TYR 98 Ca 0.03 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 3g68 h TYR 98 Cb 0.37 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 37.97 3g68 h TYR 98 CO 0.04 0.12 0.04 -0.91 -0.00 0.00 0.00 178.16 177.44 3g68 h ASN 99 N 0.44 0.90 0.00 3.88 2.35 -0.25 -2.03 115.58 120.87 3g68 h ASN 99 Ca 0.32 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3g68 h ASN 99 Cb 0.40 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3g68 h ASN 99 CO -0.31 0.94 0.00 0.00 -1.65 0.00 0.00 177.43 176.41 3g68 n ALA 100 N -2.47 1.57 0.00 -0.83 0.00 -0.89 -2.38 120.51 115.50 3g68 n ALA 100 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3g68 n ALA 100 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3g68 n ALA 100 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3g68 n LYS 102 N 0.60 0.00 -0.09 0.00 2.85 -0.77 -2.18 118.16 118.57 3g68 n LYS 102 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 3g68 n LYS 102 Cb 0.10 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.44 3g68 n LYS 102 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3g68 h LEU 103 N 0.00 0.92 -0.59 -5.58 5.85 -1.76 -2.92 115.31 111.23 3g68 h LEU 103 Ca 0.00 -0.50 0.06 0.00 0.84 0.00 0.00 57.88 58.27 3g68 h LEU 103 Cb 0.00 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 3g68 h LEU 103 CO 0.00 1.24 0.30 0.00 -0.34 0.00 0.00 178.44 179.65 3g68 h ALA 104 N 0.71 0.77 -0.11 1.25 0.00 -1.72 -2.37 119.26 117.78 3g68 h ALA 104 Ca 0.04 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3g68 h ALA 104 Cb 1.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3g68 h ALA 104 CO 0.10 -0.04 -0.53 1.05 0.00 0.00 0.00 179.25 179.83 3g68 h GLU 105 N 0.57 0.30 -0.60 0.00 4.11 -1.76 -1.89 114.58 115.32 3g68 h GLU 105 Ca 0.26 -0.18 0.08 0.00 0.07 0.00 0.00 59.36 59.60 3g68 h GLU 105 Cb 0.18 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3g68 h GLU 105 CO -0.18 0.76 0.40 -0.44 0.07 0.00 0.00 179.01 179.61 3g68 h ASP 106 N 0.23 0.43 -0.26 3.06 3.32 -1.24 0.23 116.42 122.20 3g68 h ASP 106 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3g68 h ASP 106 Cb 1.01 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3g68 h ASP 106 CO 0.09 0.27 0.00 0.29 -1.72 0.00 0.00 179.24 178.16 3g68 n LYS 107 N -4.47 1.81 -0.67 3.56 4.01 -0.86 -4.90 118.16 116.63 3g68 n LYS 107 Ca 0.09 -1.01 0.00 0.00 -0.51 0.00 0.00 58.31 56.88 3g68 n LYS 107 Cb 0.31 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 3g68 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g68 n GLY 108 N 0.77 0.61 3.85 0.72 0.00 0.07 -4.54 105.19 106.67 3g68 n GLY 108 Ca 0.09 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3g68 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g68 s LYS 110 N -3.99 4.42 -0.10 0.00 1.02 0.04 -4.38 119.74 116.75 3g68 s LYS 110 Ca 0.56 1.03 0.03 0.00 0.02 0.00 0.00 55.97 57.61 3g68 s LYS 110 Cb -0.10 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3g68 s LYS 110 CO 0.31 0.48 -0.20 0.42 -0.92 0.00 0.00 175.35 175.44 3g68 s ILE 111 N -1.33 2.43 0.06 2.17 -1.09 -1.26 -0.36 121.20 121.82 3g68 s ILE 111 Ca 0.39 -0.90 0.07 0.00 -2.23 0.00 0.00 60.65 57.98 3g68 s ILE 111 Cb -0.20 -1.96 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 3g68 s ILE 111 CO 0.23 0.55 -0.18 0.00 -1.23 0.00 0.00 174.94 174.31 3g68 s ALA 112 N 0.17 1.56 0.00 9.38 0.00 -0.19 -0.19 121.76 132.49 3g68 s ALA 112 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3g68 s ALA 112 Cb -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3g68 s ALA 112 CO 0.06 0.32 0.00 -1.13 0.00 0.00 0.00 175.76 175.02 3g68 n SER 113 N 1.68 1.81 0.00 0.00 3.41 -0.42 -0.81 113.62 119.29 3g68 n SER 113 Ca -0.18 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 3g68 n SER 113 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3g68 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g68 n ALA 115 N -3.00 0.00 -0.28 7.33 0.00 -1.26 -1.06 120.51 122.25 3g68 n ALA 115 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3g68 n ALA 115 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 3g68 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g68 n GLY 116 N -1.39 2.39 3.20 0.00 0.00 0.22 -0.58 105.19 109.03 3g68 n GLY 116 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 3g68 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g68 s LYS 118 N -2.94 3.48 -1.34 0.00 -0.14 -1.26 -4.14 119.74 113.40 3g68 s LYS 118 Ca -0.02 1.09 -0.04 0.00 -1.36 0.00 0.00 55.97 55.63 3g68 s LYS 118 Cb 0.01 -2.06 0.02 0.00 -1.68 0.00 0.00 37.83 34.12 3g68 s LYS 118 CO -0.06 -0.67 0.89 0.09 -0.76 0.00 0.00 175.35 174.84 3g68 n ASN 119 N -2.03 -2.83 -4.78 2.83 3.02 -1.26 -4.97 115.26 105.23 3g68 n ASN 119 Ca 0.08 -0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 53.53 3g68 n ASN 119 Cb 0.53 -4.37 -0.05 0.00 -0.61 0.00 0.00 39.78 35.27 3g68 n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g68 s ALA 120 N -3.48 3.16 0.26 5.41 0.00 -1.26 -4.94 121.76 120.91 3g68 s ALA 120 Ca 0.22 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 3g68 s ALA 120 Cb -0.11 -3.22 0.54 0.00 0.00 0.00 0.00 23.12 20.33 3g68 s ALA 120 CO 0.79 0.01 1.74 1.25 0.00 0.00 0.00 175.76 179.54 3g68 h LEU 121 N 2.85 0.39 -2.01 0.00 7.12 -1.78 0.53 115.31 122.40 3g68 h LEU 121 Ca -0.47 0.11 -0.02 0.00 0.13 0.00 0.00 57.88 57.63 3g68 h LEU 121 Cb 1.20 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.39 3g68 h LEU 121 CO 0.64 0.13 -0.08 0.16 -0.13 0.00 0.00 178.44 179.15 3g68 h ILE 122 N 0.51 0.41 0.00 4.05 3.07 -1.62 -2.24 117.51 121.69 3g68 h ILE 122 Ca 0.46 -0.44 -0.03 0.00 1.55 0.00 0.00 64.86 66.40 3g68 h ILE 122 Cb 0.72 1.31 -0.00 0.00 -0.27 0.00 0.00 36.82 38.58 3g68 h ILE 122 CO -0.41 0.08 -0.14 0.44 -1.05 0.00 0.00 178.15 177.07 3g68 h ASP 123 N 0.00 0.00 -0.79 2.16 3.32 -1.17 -3.19 116.42 116.75 3g68 h ASP 123 Ca -0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 3g68 h ASP 123 Cb 0.30 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 3g68 h ASP 123 CO 0.01 0.14 0.52 -0.33 -1.72 0.00 0.00 179.24 177.86 3g68 h GLU 124 N 0.00 0.64 -0.35 3.56 5.08 -1.46 -1.90 114.58 120.16 3g68 h GLU 124 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3g68 h GLU 124 Cb 0.33 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3g68 h GLU 124 CO 0.02 0.42 0.00 0.44 -1.00 0.00 0.00 179.01 178.89 3g68 n ILE 125 N -4.51 2.12 -3.91 3.13 -5.35 -1.21 -5.00 119.36 104.63 3g68 n ILE 125 Ca 0.14 -1.62 -0.36 0.00 -0.27 0.00 0.00 62.75 60.63 3g68 n ILE 125 Cb 0.38 -0.11 -0.07 0.00 -1.74 0.00 0.00 39.64 38.11 3g68 n ILE 125 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3g68 s SER 126 N -1.55 6.21 0.08 7.28 0.15 -0.71 -4.79 113.70 120.37 3g68 s SER 126 Ca 0.42 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.45 3g68 s SER 126 Cb 0.32 -2.01 -0.25 0.00 -1.71 0.00 0.00 66.02 62.36 3g68 s SER 126 CO 0.12 0.36 1.16 0.44 1.20 0.00 0.00 173.24 176.51 3g68 h ASP 127 N 5.37 0.25 -3.44 5.45 3.32 -0.88 -3.44 116.42 123.05 3g68 h ASP 127 Ca -0.51 -0.28 -0.57 0.00 0.02 0.00 0.00 57.03 55.69 3g68 h ASP 127 Cb 1.21 -0.08 -0.38 0.00 0.22 0.00 0.00 39.33 40.29 3g68 h ASP 127 CO 0.61 1.22 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.26 3g68 s TYR 128 N -2.67 1.83 -0.75 4.55 2.02 -0.78 -5.03 117.35 116.52 3g68 s TYR 128 Ca -0.03 -1.30 -0.19 0.00 -0.37 0.00 0.00 57.07 55.19 3g68 s TYR 128 Cb 0.08 -1.36 0.12 0.00 -0.40 0.00 0.00 41.96 40.41 3g68 s TYR 128 CO 0.86 -0.68 0.90 0.42 -1.57 0.00 0.00 175.55 175.48 3g68 s ILE 129 N 1.59 4.81 -0.99 2.71 1.01 -1.26 -1.30 121.20 127.77 3g68 s ILE 129 Ca -0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.33 3g68 s ILE 129 Cb -0.17 -4.62 0.32 0.00 0.01 0.00 0.00 42.46 38.00 3g68 s ILE 129 CO -0.07 -1.30 1.81 0.18 0.00 0.00 0.00 174.94 175.56 3g68 n LEU 130 N 6.31 7.25 -4.60 2.97 4.77 -0.22 -4.97 117.00 128.51 3g68 n LEU 130 Ca 0.06 -5.34 -0.50 0.00 -0.03 0.00 0.00 56.01 50.20 3g68 n LEU 130 Cb 0.46 -1.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.37 3g68 n LEU 130 CO 0.53 2.03 0.87 0.41 -1.33 0.00 0.00 177.39 179.90 3g68 n THR 131 N -0.13 0.35 -2.79 -5.08 -1.04 -1.26 -4.53 114.28 99.80 3g68 n THR 131 Ca 0.47 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.97 3g68 n THR 131 Cb 0.26 -0.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.81 3g68 n THR 131 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3g68 s VAL 132 N 0.27 4.33 -1.42 12.58 1.01 0.26 -4.93 120.40 132.49 3g68 s VAL 132 Ca 0.79 0.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.11 3g68 s VAL 132 Cb -0.88 -4.57 0.06 0.00 0.00 0.00 0.00 36.38 30.99 3g68 s VAL 132 CO 0.48 -1.14 2.50 0.59 0.00 0.00 0.00 175.10 177.52 3g68 n ASN 133 N 7.62 7.74 -0.24 3.32 5.03 -1.26 -4.34 115.26 133.13 3g68 n ASN 133 Ca 0.03 -2.95 0.12 0.00 0.87 0.00 0.00 54.58 52.65 3g68 n ASN 133 Cb 0.48 -1.45 0.21 0.00 -1.02 0.00 0.00 39.78 38.00 3g68 n ASN 133 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g68 n GLY 135 N 1.40 -1.22 3.77 0.00 0.00 -1.26 -4.92 105.19 102.96 3g68 n GLY 135 Ca 0.09 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 3g68 n GLY 135 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g68 s GLU 136 N -1.69 3.80 -0.40 1.61 -1.05 -1.26 -4.94 118.70 114.77 3g68 s GLU 136 Ca 0.00 1.86 0.01 0.00 -0.15 0.00 0.00 54.97 56.69 3g68 s GLU 136 Cb 0.00 -2.49 0.14 0.00 -0.44 0.00 0.00 34.13 31.34 3g68 s GLU 136 CO 0.00 -0.54 0.24 -2.00 0.95 0.00 0.00 175.26 173.90 3g68 s GLU 137 N -2.58 0.97 0.00 -4.83 2.12 -1.26 -5.01 118.70 108.11 3g68 s GLU 137 Ca 0.62 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 54.21 3g68 s GLU 137 Cb -0.31 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.22 3g68 s GLU 137 CO 0.38 -1.20 0.44 1.63 -0.54 0.00 0.00 175.26 175.98 3g68 n LYS 138 N 3.70 0.70 -4.13 4.30 4.01 -1.26 -4.79 118.16 120.69 3g68 n LYS 138 Ca 0.11 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.56 3g68 n LYS 138 Cb 0.36 -1.26 -0.09 0.00 -0.51 0.00 0.00 35.03 33.54 3g68 n LYS 138 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3g68 s SER 139 N -0.57 5.62 0.53 4.39 0.15 -1.26 -4.96 113.70 117.61 3g68 s SER 139 Ca 0.00 0.19 0.30 0.00 0.70 0.00 0.00 55.95 57.13 3g68 s SER 139 Cb 0.00 -1.80 1.50 0.00 -1.71 0.00 0.00 66.02 64.01 3g68 s SER 139 CO 0.00 0.31 2.07 1.23 1.20 0.00 0.00 173.24 178.05 3g68 h GLY 140 N 5.72 0.00 -7.46 9.45 0.00 -1.64 -3.35 103.07 105.79 3g68 h GLY 140 Ca -0.46 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.10 3g68 h GLY 140 CO 0.61 0.00 0.31 0.00 0.00 0.00 0.00 176.54 177.46 3g68 n ALA 141 N -2.23 4.15 -1.86 3.60 0.00 -1.26 -5.04 120.51 117.86 3g68 n ALA 141 Ca -0.01 -4.66 -0.41 0.00 0.00 0.00 0.00 53.44 48.36 3g68 n ALA 141 Cb 0.24 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 3g68 n ALA 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3g68 s LYS 142 N -1.38 4.29 0.06 0.00 -0.14 -1.26 -4.92 119.74 116.39 3g68 s LYS 142 Ca 0.30 2.27 0.00 0.00 -1.36 0.00 0.00 55.97 57.19 3g68 s LYS 142 Cb -0.08 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 3g68 s LYS 142 CO -0.09 -0.36 0.00 0.25 -0.76 0.00 0.00 175.35 174.39 3g68 n THR 143 N 1.97 0.22 -0.27 2.17 -2.24 -1.26 -4.70 114.28 110.17 3g68 n THR 143 Ca 0.05 0.07 0.02 0.00 -2.27 0.00 0.00 64.05 61.92 3g68 n THR 143 Cb 0.41 -0.75 0.09 0.00 -2.10 0.00 0.00 70.33 67.97 3g68 n THR 143 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3g68 h LYS 144 N 0.00 -0.01 -0.38 -0.78 3.64 -1.92 -1.38 116.57 115.75 3g68 h LYS 144 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3g68 h LYS 144 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3g68 h LYS 144 CO 0.00 -0.01 0.18 0.78 -2.27 0.00 0.00 179.45 178.13 3g68 h GLY 145 N -0.01 0.56 0.83 5.01 0.00 -1.93 -0.78 103.07 106.75 3g68 h GLY 145 Ca 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3g68 h GLY 145 CO -0.81 0.23 -0.26 -1.82 0.00 0.00 0.00 176.54 173.89 3g68 h TYR 146 N 0.52 -0.67 -0.44 5.60 3.20 -1.54 -0.97 116.97 122.68 3g68 h TYR 146 Ca 0.13 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.05 3g68 h TYR 146 Cb 0.06 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 3g68 h TYR 146 CO 0.00 -0.35 0.12 1.88 -1.64 0.00 0.00 178.16 178.17 3g68 h TYR 147 N -0.90 0.20 0.00 -3.82 0.05 -1.28 -1.58 116.97 109.64 3g68 h TYR 147 Ca -0.07 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.67 3g68 h TYR 147 Cb 0.62 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 3g68 h TYR 147 CO -0.01 0.05 -0.31 0.00 -1.05 0.00 0.00 178.16 176.84 3g68 h THR 149 N 0.00 1.42 -0.50 0.00 2.02 -0.77 -1.45 112.91 113.64 3g68 h THR 149 Ca -0.00 -2.09 0.05 0.00 0.77 0.00 0.00 66.41 65.14 3g68 h THR 149 Cb 0.70 2.59 -0.05 0.00 -1.74 0.00 0.00 68.15 69.65 3g68 h THR 149 CO 0.04 0.61 0.24 0.11 0.37 0.00 0.00 175.52 176.88 3g68 h LYS 150 N -0.09 0.45 -0.37 6.66 1.57 -1.18 -1.03 116.57 122.58 3g68 h LYS 150 Ca -0.08 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3g68 h LYS 150 Cb 1.33 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3g68 h LYS 150 CO 0.12 0.30 0.22 1.25 -0.57 0.00 0.00 179.45 180.76 3g68 h LEU 151 N 0.46 0.35 -0.84 2.94 5.85 -1.20 -2.86 115.31 120.00 3g68 h LEU 151 Ca 0.22 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3g68 h LEU 151 Cb 0.15 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3g68 h LEU 151 CO -0.17 0.25 0.53 -1.13 -0.34 0.00 0.00 178.44 177.58 3g68 h ASN 152 N 0.44 0.84 0.00 1.25 -1.24 -0.82 0.32 115.58 116.37 3g68 h ASN 152 Ca 0.15 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3g68 h ASN 152 Cb 0.00 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.89 3g68 h ASN 152 CO -0.07 0.55 0.00 0.18 -1.29 0.00 0.00 177.43 176.81 3g68 n LEU 153 N -4.61 0.37 0.00 0.34 4.77 -0.43 -1.45 117.00 115.98 3g68 n LEU 153 Ca 0.11 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3g68 n LEU 153 Cb 0.15 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3g68 n LEU 153 CO 0.32 0.07 0.00 0.18 -1.33 0.00 0.00 177.39 176.63 3g68 n LEU 155 N 0.64 0.00 -0.18 2.23 4.77 0.10 -2.49 117.00 122.07 3g68 n LEU 155 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3g68 n LEU 155 Cb 0.07 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3g68 n LEU 155 CO 0.00 0.00 0.75 0.25 -1.33 0.00 0.00 177.39 177.06 3g68 h LEU 156 N 0.00 -0.55 0.34 2.23 5.85 -1.51 0.12 115.31 121.79 3g68 h LEU 156 Ca 0.00 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3g68 h LEU 156 Cb 0.00 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3g68 h LEU 156 CO 0.00 -0.19 -0.28 1.23 -0.34 0.00 0.00 178.44 178.86 3g68 h GLY 157 N -0.02 -0.67 0.67 3.75 0.00 -1.77 -1.45 103.07 103.58 3g68 h GLY 157 Ca 0.26 0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.98 3g68 h GLY 157 CO -0.57 -0.26 0.54 1.41 0.00 0.00 0.00 176.54 177.67 3g68 h LEU 158 N -0.63 0.84 -0.55 3.11 3.38 -1.68 0.13 115.31 119.91 3g68 h LEU 158 Ca -0.03 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3g68 h LEU 158 Cb 0.55 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3g68 h LEU 158 CO -0.02 0.52 -0.07 1.56 0.09 0.00 0.00 178.44 180.53 3g68 h GLN 159 N 0.97 1.02 0.02 1.13 1.08 -0.72 -1.21 115.11 117.40 3g68 h GLN 159 Ca 0.40 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3g68 h GLN 159 Cb 0.23 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3g68 h GLN 159 CO -0.19 1.04 -0.01 0.82 -0.95 0.00 0.00 178.83 179.54 3g68 h ILE 160 N 0.89 1.25 -0.61 2.54 2.04 -0.80 -2.41 117.51 120.42 3g68 h ILE 160 Ca 0.15 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.24 3g68 h ILE 160 Cb 0.63 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.47 3g68 h ILE 160 CO 0.04 0.22 0.22 0.00 0.00 0.00 0.00 178.15 178.63 3g68 h ALA 161 N 0.55 0.78 -0.14 1.87 0.00 -0.67 0.16 119.26 121.82 3g68 h ALA 161 Ca -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3g68 h ALA 161 Cb 0.39 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3g68 h ALA 161 CO 0.01 -0.20 -0.01 -0.09 0.00 0.00 0.00 179.25 178.96 3g68 h ARG 162 N 0.40 0.25 -0.52 0.00 2.43 -1.26 0.10 114.38 115.78 3g68 h ARG 162 Ca 0.31 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 3g68 h ARG 162 Cb 0.38 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3g68 h ARG 162 CO -0.31 0.49 0.32 1.49 -1.51 0.00 0.00 179.97 180.45 3g68 h GLU 163 N -0.02 0.61 -0.00 0.20 4.57 -0.87 -2.48 114.58 116.59 3g68 h GLU 163 Ca 0.04 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3g68 h GLU 163 Cb 0.38 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3g68 h GLU 163 CO 0.01 0.40 -0.05 1.63 -1.18 0.00 0.00 179.01 179.82 3g68 n LYS 164 N -4.79 0.56 -0.50 1.92 4.76 -0.01 -4.94 118.16 115.16 3g68 n LYS 164 Ca 0.04 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3g68 n LYS 164 Cb 0.07 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 3g68 n LYS 164 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g68 n GLY 165 N 1.27 0.75 0.24 0.72 0.00 -0.80 -4.96 105.19 102.41 3g68 n GLY 165 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 3g68 n GLY 165 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g68 h ILE 166 N 0.00 1.28 -3.85 -0.61 2.04 -1.07 -3.44 117.51 111.86 3g68 h ILE 166 Ca 0.00 -1.42 -0.49 0.00 1.00 0.00 0.00 64.86 63.95 3g68 h ILE 166 Cb 0.00 1.43 -0.21 0.00 -0.74 0.00 0.00 36.82 37.30 3g68 h ILE 166 CO 0.00 0.45 -0.80 0.27 0.00 0.00 0.00 178.15 178.07 3g68 s ILE 167 N -4.39 1.46 0.89 -0.67 -4.36 -1.12 -5.02 121.20 107.99 3g68 s ILE 167 Ca -0.07 -1.50 -0.13 0.00 -0.26 0.00 0.00 60.65 58.69 3g68 s ILE 167 Cb 0.13 -1.40 0.13 0.00 1.25 0.00 0.00 42.46 42.57 3g68 s ILE 167 CO 0.81 -0.18 1.18 -0.94 0.24 0.00 0.00 174.94 176.05 3g68 s SER 168 N -1.96 3.78 0.22 4.36 1.04 -1.26 -4.33 113.70 115.56 3g68 s SER 168 Ca 0.04 0.79 -0.06 0.00 0.48 0.00 0.00 55.95 57.20 3g68 s SER 168 Cb -0.09 -1.25 0.21 0.00 0.10 0.00 0.00 66.02 64.99 3g68 s SER 168 CO 0.04 -2.36 1.73 0.28 0.98 0.00 0.00 173.24 173.91 3g68 h SER 169 N -1.37 0.96 -0.10 7.02 0.02 -1.99 -1.40 113.55 116.68 3g68 h SER 169 Ca -0.48 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.14 3g68 h SER 169 Cb 1.32 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3g68 h SER 169 CO 0.60 0.95 -0.34 1.05 -1.14 0.00 0.00 176.83 177.95 3g68 h GLU 170 N 0.95 0.59 -0.51 3.45 4.11 -1.99 -1.85 114.58 119.34 3g68 h GLU 170 Ca 0.19 -0.28 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 3g68 h GLU 170 Cb 0.40 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3g68 h GLU 170 CO 0.01 0.85 0.00 -0.22 0.07 0.00 0.00 179.01 179.73 3g68 h LYS 171 N 0.50 0.89 0.16 1.06 1.63 -1.87 0.11 116.57 119.05 3g68 h LYS 171 Ca 0.05 -0.28 0.02 0.00 -0.85 0.00 0.00 60.65 59.59 3g68 h LYS 171 Cb 0.83 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.34 3g68 h LYS 171 CO 0.07 0.92 -0.36 -0.92 -3.45 0.00 0.00 179.45 175.71 3g68 h TYR 172 N 0.76 -1.00 -0.80 1.91 5.03 -1.12 -1.40 116.97 120.36 3g68 h TYR 172 Ca 0.14 0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.60 3g68 h TYR 172 Cb 0.52 0.42 -0.08 0.00 1.55 0.00 0.00 36.73 39.13 3g68 h TYR 172 CO 0.04 -0.47 0.40 -0.97 -1.32 0.00 0.00 178.16 175.83 3g68 h ASN 173 N -0.62 0.50 -0.55 -2.11 -0.73 -1.04 -0.82 115.58 110.20 3g68 h ASN 173 Ca 0.02 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 3g68 h ASN 173 Cb 0.63 -0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 3g68 h ASN 173 CO -0.19 0.24 0.32 -0.08 -0.37 0.00 0.00 177.43 177.35 3g68 h GLU 174 N 0.62 0.75 -0.60 6.67 4.81 -0.43 -1.40 114.58 124.99 3g68 h GLU 174 Ca 0.42 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 3g68 h GLU 174 Cb 0.53 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3g68 h GLU 174 CO -0.33 0.55 0.08 0.93 -0.73 0.00 0.00 179.01 179.52 3g68 h GLU 175 N 0.73 1.01 -0.73 1.92 4.39 -0.62 -1.24 114.58 120.04 3g68 h GLU 175 Ca 0.20 -0.28 0.05 0.00 0.34 0.00 0.00 59.36 59.66 3g68 h GLU 175 Cb 0.00 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 3g68 h GLU 175 CO -0.04 0.96 0.45 0.82 -1.16 0.00 0.00 179.01 180.04 3g68 h ILE 176 N 0.91 1.05 -0.30 3.13 1.08 -0.99 -1.66 117.51 120.73 3g68 h ILE 176 Ca 0.18 -0.29 -0.08 0.00 -0.39 0.00 0.00 64.86 64.28 3g68 h ILE 176 Cb 0.45 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 3g68 h ILE 176 CO 0.01 0.15 -0.15 0.78 -0.69 0.00 0.00 178.15 178.26 3g68 h ASN 177 N 0.85 0.51 -0.47 1.72 2.35 -0.94 -0.33 115.58 119.26 3g68 h ASN 177 Ca 0.31 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3g68 h ASN 177 Cb 0.10 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3g68 h ASN 177 CO -0.14 0.68 0.12 0.11 -1.65 0.00 0.00 177.43 176.54 3g68 h LYS 178 N 0.48 0.76 -0.60 0.81 1.57 -0.81 -0.47 116.57 118.32 3g68 h LYS 178 Ca 0.08 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3g68 h LYS 178 Cb 0.54 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3g68 h LYS 178 CO 0.03 0.74 0.35 0.82 -0.57 0.00 0.00 179.45 180.83 3g68 h ILE 179 N 0.64 1.18 -0.50 1.86 2.04 -1.05 -1.82 117.51 119.86 3g68 h ILE 179 Ca 0.15 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3g68 h ILE 179 Cb 0.33 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3g68 h ILE 179 CO 0.00 0.19 0.18 -0.07 0.00 0.00 0.00 178.15 178.45 3g68 h LEU 180 N 0.81 0.66 -1.22 1.44 3.38 -0.82 -0.63 115.31 118.93 3g68 h LEU 180 Ca 0.21 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3g68 h LEU 180 Cb -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3g68 h LEU 180 CO -0.04 0.62 0.11 0.44 0.09 0.00 0.00 178.44 179.66 3g68 h ASP 181 N 0.71 0.60 -0.13 -0.43 3.32 -0.42 -1.34 116.42 118.74 3g68 h ASP 181 Ca 0.17 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 3g68 h ASP 181 Cb 0.18 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3g68 h ASP 181 CO -0.01 0.59 -0.38 0.00 -1.72 0.00 0.00 179.24 177.72 3g68 h ALA 182 N 1.49 0.22 -0.58 3.45 0.00 -0.51 -3.24 119.26 120.10 3g68 h ALA 182 Ca 0.15 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.63 3g68 h ALA 182 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3g68 h ALA 182 CO -0.00 0.31 0.38 0.82 0.00 0.00 0.00 179.25 180.75 3g68 h ILE 183 N 0.09 1.09 0.00 0.00 2.04 -0.90 -2.06 117.51 117.77 3g68 h ILE 183 Ca -0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3g68 h ILE 183 Cb 1.00 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3g68 h ILE 183 CO 0.08 0.13 0.00 -0.46 0.00 0.00 0.00 178.15 177.90 3g68 n ASN 184 N -4.46 0.59 -0.01 1.72 2.04 -0.53 -2.49 115.26 112.12 3g68 n ASN 184 Ca 0.07 0.60 0.12 0.00 -0.44 0.00 0.00 54.58 54.93 3g68 n ASN 184 Cb 0.12 -0.74 0.25 0.00 -2.53 0.00 0.00 39.78 36.87 3g68 n ASN 184 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3g68 n ARG 185 N -2.10 0.04 0.00 -3.83 1.74 -0.78 -4.48 116.66 107.25 3g68 n ARG 185 Ca 0.04 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 3g68 n ARG 185 Cb 0.31 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 3g68 n ARG 185 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3g68 h PHE 186 N 0.05 -0.46 -0.31 -1.55 3.04 -1.49 -0.75 116.94 115.47 3g68 h PHE 186 Ca 0.00 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.00 3g68 h PHE 186 Cb 0.50 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 3g68 h PHE 186 CO 0.00 -0.25 0.15 1.49 -2.02 0.00 0.00 178.31 177.68 3g68 h GLU 187 N -0.22 0.31 -0.72 1.11 4.57 -1.80 -0.45 114.58 117.37 3g68 h GLU 187 Ca 0.10 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3g68 h GLU 187 Cb 0.37 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 3g68 h GLU 187 CO -0.26 0.21 0.46 0.00 -1.18 0.00 0.00 179.01 178.24 3g68 h ALA 188 N 1.16 0.94 -0.65 2.92 0.00 -1.73 -1.31 119.26 120.58 3g68 h ALA 188 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3g68 h ALA 188 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3g68 h ALA 188 CO -0.09 0.27 0.26 0.28 0.00 0.00 0.00 179.25 179.96 3g68 h VAL 189 N 0.92 1.24 -0.27 0.00 2.07 -0.77 -2.06 116.25 117.38 3g68 h VAL 189 Ca 0.28 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3g68 h VAL 189 Cb -0.02 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3g68 h VAL 189 CO -0.09 0.30 0.08 0.22 0.02 0.00 0.00 177.57 178.09 3g68 h TYR 190 N 0.92 0.13 -0.38 1.57 5.03 -0.66 0.97 116.97 124.56 3g68 h TYR 190 Ca 0.22 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.56 3g68 h TYR 190 Cb 0.21 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 3g68 h TYR 190 CO 0.01 0.05 0.23 0.87 -1.32 0.00 0.00 178.16 178.00 3g68 h LYS 191 N 0.19 0.45 -0.52 1.82 1.57 -1.08 -0.38 116.57 118.61 3g68 h LYS 191 Ca 0.12 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3g68 h LYS 191 Cb 0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3g68 h LYS 191 CO -0.14 0.29 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.88 3g68 h LEU 192 N 0.46 0.94 -0.51 2.94 3.38 -1.16 -2.86 115.31 118.50 3g68 h LEU 192 Ca 0.15 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3g68 h LEU 192 Cb 0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3g68 h LEU 192 CO -0.07 1.05 0.20 0.28 0.09 0.00 0.00 178.44 180.00 3g68 h SER 193 N 0.85 0.24 -0.90 -0.43 0.02 -0.39 -1.53 113.55 111.41 3g68 h SER 193 Ca 0.14 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3g68 h SER 193 Cb 0.63 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 3g68 h SER 193 CO 0.04 0.17 0.60 0.50 -1.14 0.00 0.00 176.83 176.99 3g68 h LYS 194 N 0.40 1.15 -0.26 3.45 3.64 -0.87 -0.51 116.57 123.57 3g68 h LYS 194 Ca 0.24 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3g68 h LYS 194 Cb 0.23 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3g68 h LYS 194 CO -0.22 0.76 -0.16 1.96 -2.27 0.00 0.00 179.45 179.53 3g68 h GLN 195 N 1.19 0.57 -0.71 1.90 4.20 -1.26 -2.52 115.11 118.48 3g68 h GLN 195 Ca 0.34 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3g68 h GLN 195 Cb -0.08 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 3g68 h GLN 195 CO -0.09 0.83 0.45 2.35 -0.67 0.00 0.00 178.83 181.71 3g68 h TRP 196 N 0.29 0.91 -0.38 2.96 7.01 -0.86 -1.03 115.95 124.85 3g68 h TRP 196 Ca 0.05 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.07 3g68 h TRP 196 Cb 0.68 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 3g68 h TRP 196 CO 0.07 0.59 0.25 0.82 -2.79 0.00 0.00 178.44 177.38 3g68 h ILE 197 N 0.97 1.10 -0.70 2.65 2.04 -1.08 -1.42 117.51 121.07 3g68 h ILE 197 Ca 0.26 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3g68 h ILE 197 Cb -0.08 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3g68 h ILE 197 CO -0.05 0.10 0.38 -0.08 0.00 0.00 0.00 178.15 178.49 3g68 h GLU 198 N 0.52 0.98 -0.27 2.37 4.57 -1.21 0.34 114.58 121.88 3g68 h GLU 198 Ca 0.14 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3g68 h GLU 198 Cb -0.05 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 3g68 h GLU 198 CO -0.03 0.74 -0.11 -0.09 -1.18 0.00 0.00 179.01 178.35 3g68 h ARG 199 N 0.97 0.44 -0.45 1.92 2.43 -0.96 -3.06 114.38 115.67 3g68 h ARG 199 Ca 0.25 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 3g68 h ARG 199 Cb 0.05 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3g68 h ARG 199 CO -0.04 0.55 0.07 0.09 -1.51 0.00 0.00 179.97 179.14 3g68 n ASN 200 N -4.23 4.20 -0.14 -3.80 3.02 -0.56 -4.80 115.26 108.96 3g68 n ASN 200 Ca 0.00 -3.18 -0.04 0.00 -0.03 0.00 0.00 54.58 51.34 3g68 n ASN 200 Cb 0.30 -0.64 0.05 0.00 -0.61 0.00 0.00 39.78 38.88 3g68 n ASN 200 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3g68 h LYS 201 N 2.21 0.21 0.56 3.52 3.64 -0.84 -1.83 116.57 124.05 3g68 h LYS 201 Ca 0.11 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3g68 h LYS 201 Cb 1.81 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.58 3g68 h LYS 201 CO 0.43 0.14 -0.31 1.49 -2.27 0.00 0.00 179.45 178.93 3g68 h GLU 202 N 0.21 -0.79 -0.95 1.90 4.81 -1.87 -0.54 114.58 117.36 3g68 h GLU 202 Ca 0.22 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 3g68 h GLU 202 Cb 0.28 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 3g68 h GLU 202 CO -0.29 -0.53 0.61 0.87 -0.73 0.00 0.00 179.01 178.94 3g68 h LYS 203 N -0.82 1.13 -0.43 1.92 1.57 -1.91 -2.12 116.57 115.92 3g68 h LYS 203 Ca -0.07 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3g68 h LYS 203 Cb 0.65 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3g68 h LYS 203 CO 0.09 0.75 0.05 -0.07 -0.57 0.00 0.00 179.45 179.70 3g68 h LEU 204 N 1.16 0.70 -1.39 2.94 3.38 -1.09 -2.71 115.31 118.31 3g68 h LEU 204 Ca 0.39 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3g68 h LEU 204 Cb 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3g68 h LEU 204 CO -0.14 0.80 0.37 0.58 0.09 0.00 0.00 178.44 180.14 3g68 h VAL 205 N 0.58 1.16 -0.01 1.22 2.07 -0.94 -2.66 116.25 117.67 3g68 h VAL 205 Ca 0.13 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3g68 h VAL 205 Cb 0.41 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3g68 h VAL 205 CO 0.01 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.35 3g68 n ASN 206 N -4.43 0.40 -4.61 0.57 3.02 -0.81 -4.94 115.26 104.45 3g68 n ASN 206 Ca 0.06 -1.16 -0.54 0.00 -0.03 0.00 0.00 54.58 52.90 3g68 n ASN 206 Cb 0.06 -0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 3g68 n ASN 206 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3g68 n SER 207 N -0.67 1.61 -0.08 6.41 7.64 -1.00 -4.91 113.62 122.62 3g68 n SER 207 Ca 0.22 1.12 -0.13 0.00 1.01 0.00 0.00 58.87 61.09 3g68 n SER 207 Cb 0.17 -1.14 -0.07 0.00 -1.01 0.00 0.00 64.21 62.16 3g68 n SER 207 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3g68 n LYS 208 N 3.07 0.40 -3.64 1.43 5.02 -1.26 -5.05 118.16 118.13 3g68 n LYS 208 Ca 0.21 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.47 3g68 n LYS 208 Cb 0.16 -1.29 -0.07 0.00 -0.02 0.00 0.00 35.03 33.81 3g68 n LYS 208 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3g68 s GLU 209 N -2.33 0.81 0.06 1.97 4.04 -1.26 -4.37 118.70 117.62 3g68 s GLU 209 Ca -0.23 0.98 0.07 0.00 0.04 0.00 0.00 54.97 55.84 3g68 s GLU 209 Cb 0.06 0.39 -0.03 0.00 0.02 0.00 0.00 34.13 34.57 3g68 s GLU 209 CO 0.36 -0.10 -0.20 0.42 -1.84 0.00 0.00 175.26 173.90 3g68 s ILE 210 N 0.43 1.64 -0.01 1.83 1.01 -0.39 -0.98 121.20 124.73 3g68 s ILE 210 Ca -0.00 -1.26 0.04 0.00 0.00 0.00 0.00 60.65 59.42 3g68 s ILE 210 Cb -0.05 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 3g68 s ILE 210 CO -0.00 0.13 -0.12 -0.13 0.00 0.00 0.00 174.94 174.83 3g68 s ARG 211 N -1.33 0.97 -0.11 2.79 0.52 -0.00 -2.42 118.95 119.37 3g68 s ARG 211 Ca 0.07 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.86 3g68 s ARG 211 Cb -0.09 -0.94 -0.02 0.00 0.52 0.00 0.00 34.95 34.42 3g68 s ARG 211 CO 0.02 0.25 -0.13 0.42 0.02 0.00 0.00 175.30 175.89 3g68 s ILE 212 N -0.26 3.13 -0.20 1.52 1.01 -0.62 -1.48 121.20 124.31 3g68 s ILE 212 Ca 0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 3g68 s ILE 212 Cb -0.05 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.13 3g68 s ILE 212 CO -0.00 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.72 3g68 s ILE 213 N 0.04 2.65 0.35 2.92 1.01 0.34 -0.52 121.20 127.99 3g68 s ILE 213 Ca -0.04 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.93 3g68 s ILE 213 Cb -0.14 -2.16 -0.07 0.00 0.01 0.00 0.00 42.46 40.10 3g68 s ILE 213 CO 0.04 0.49 -0.01 -0.83 0.00 0.00 0.00 174.94 174.63 3g68 s GLY 214 N 1.35 2.22 0.49 6.18 0.00 -0.14 -1.01 107.32 116.41 3g68 s GLY 214 Ca 0.05 -2.13 -0.14 0.00 0.00 0.00 0.00 44.72 42.49 3g68 s GLY 214 CO -0.08 -1.97 0.92 -1.58 0.00 0.00 0.00 173.10 170.39 3g68 s HIS 215 N -2.90 3.47 0.50 1.90 2.46 -1.25 -0.66 115.29 118.80 3g68 s HIS 215 Ca 0.34 1.32 0.22 0.00 0.47 0.00 0.00 55.06 57.41 3g68 s HIS 215 Cb 0.07 -2.68 1.29 0.00 -0.13 0.00 0.00 32.58 31.14 3g68 s HIS 215 CO 0.16 -0.32 1.99 0.66 -2.47 0.00 0.00 174.74 174.76 3g68 h SER 216 N 0.91 0.11 0.29 9.88 4.64 -1.97 -1.20 113.55 126.21 3g68 h SER 216 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3g68 h SER 216 Cb 1.19 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3g68 h SER 216 CO 0.62 0.06 -0.05 0.44 -0.87 0.00 0.00 176.83 177.03 3g68 h ASP 217 N 0.12 0.00 0.00 4.97 3.32 -1.93 -2.39 116.42 120.50 3g68 h ASP 217 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3g68 h ASP 217 Cb 0.90 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 3g68 h ASP 217 CO -0.03 0.05 -0.51 2.30 -1.72 0.00 0.00 179.24 179.32 3g68 n ILE 218 N -3.44 1.99 -0.17 0.35 -5.35 -0.48 -4.85 119.36 107.41 3g68 n ILE 218 Ca -0.02 -2.98 -0.06 0.00 -0.27 0.00 0.00 62.75 59.42 3g68 n ILE 218 Cb 0.17 -0.13 0.03 0.00 -1.74 0.00 0.00 39.64 37.97 3g68 n ILE 218 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3g68 h TYR 219 N 0.93 0.58 -0.22 4.28 3.20 -1.16 -0.01 116.97 124.57 3g68 h TYR 219 Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3g68 h TYR 219 Cb 1.08 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 3g68 h TYR 219 CO 0.66 0.34 0.14 0.78 -1.64 0.00 0.00 178.16 178.44 3g68 h GLY 220 N 0.62 0.31 1.67 1.82 0.00 -1.85 -1.56 103.07 104.08 3g68 h GLY 220 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3g68 h GLY 220 CO -0.08 0.11 0.20 -0.55 0.00 0.00 0.00 176.54 176.22 3g68 h ASP 221 N 0.29 0.39 -0.27 0.19 3.32 -1.74 -0.99 116.42 117.60 3g68 h ASP 221 Ca 0.08 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3g68 h ASP 221 Cb -0.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3g68 h ASP 221 CO -0.02 0.30 0.02 0.74 -1.72 0.00 0.00 179.24 178.55 3g68 h THR 222 N 0.45 1.25 -0.81 0.35 2.02 -0.28 -0.11 112.91 115.78 3g68 h THR 222 Ca 0.12 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 3g68 h THR 222 Cb -0.02 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3g68 h THR 222 CO -0.02 0.28 0.36 -0.07 0.37 0.00 0.00 175.52 176.43 3g68 h LEU 223 N 0.27 1.08 -0.31 2.58 3.38 -0.99 -2.11 115.31 119.20 3g68 h LEU 223 Ca 0.08 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3g68 h LEU 223 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3g68 h LEU 223 CO 0.01 0.93 -0.12 -0.08 0.09 0.00 0.00 178.44 179.27 3g68 h GLU 224 N 1.17 0.64 -0.63 1.13 4.57 -1.01 -1.34 114.58 119.10 3g68 h GLU 224 Ca 0.28 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3g68 h GLU 224 Cb 0.16 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 3g68 h GLU 224 CO -0.03 0.84 0.39 0.00 -1.18 0.00 0.00 179.01 179.03 3g68 h ALA 225 N 0.78 0.82 -0.22 2.92 0.00 -0.93 -0.87 119.26 121.76 3g68 h ALA 225 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3g68 h ALA 225 Cb 0.63 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3g68 h ALA 225 CO 0.04 0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.51 3g68 h ALA 226 N 1.27 0.29 -0.63 0.00 0.00 -1.26 -1.93 119.26 117.00 3g68 h ALA 226 Ca 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3g68 h ALA 226 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3g68 h ALA 226 CO -0.10 -0.11 0.31 1.25 0.00 0.00 0.00 179.25 180.60 3g68 h LEU 227 N 0.20 0.81 -0.69 0.00 5.85 -0.86 -0.92 115.31 119.70 3g68 h LEU 227 Ca 0.07 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 3g68 h LEU 227 Cb 0.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3g68 h LEU 227 CO -0.00 0.71 -0.24 0.11 -0.34 0.00 0.00 178.44 178.67 3g68 h LYS 228 N 0.86 0.75 -0.40 1.25 1.79 -1.08 -0.46 116.57 119.28 3g68 h LYS 228 Ca 0.22 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 3g68 h LYS 228 Cb 0.10 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3g68 h LYS 228 CO -0.03 0.92 0.14 -0.07 -1.08 0.00 0.00 179.45 179.33 3g68 h LEU 229 N 0.65 0.57 -0.37 2.94 3.38 -1.20 -2.25 115.31 119.03 3g68 h LEU 229 Ca 0.09 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3g68 h LEU 229 Cb 0.75 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3g68 h LEU 229 CO 0.06 0.61 0.10 0.25 0.09 0.00 0.00 178.44 179.55 3g68 h LEU 230 N 0.50 0.08 -1.58 1.67 6.46 -0.74 -2.71 115.31 118.98 3g68 h LEU 230 Ca 0.13 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.89 3g68 h LEU 230 Cb 0.23 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 3g68 h LEU 230 CO -0.01 0.08 -0.22 -0.33 -0.62 0.00 0.00 178.44 177.34 3g68 h GLU 231 N 0.24 0.00 -0.42 1.25 5.08 -0.94 -1.48 114.58 118.30 3g68 h GLU 231 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3g68 h GLU 231 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3g68 h GLU 231 CO -0.20 0.22 0.00 0.25 -1.00 0.00 0.00 179.01 178.28 3g68 n THR 232 N -3.94 2.49 0.00 1.13 -2.24 -0.86 -4.90 114.28 105.97 3g68 n THR 232 Ca -0.02 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 3g68 n THR 232 Cb 0.31 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3g68 n THR 232 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g68 n ARG 234 N 0.07 0.00 -4.17 -0.78 1.74 -0.56 -4.74 116.66 108.22 3g68 n ARG 234 Ca 0.24 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.20 3g68 n ARG 234 Cb 1.03 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.38 3g68 n ARG 234 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3g68 s ILE 235 N 0.00 0.00 0.13 0.55 -4.36 -1.26 -5.12 121.20 111.14 3g68 s ILE 235 Ca 0.00 -1.90 -0.31 0.00 -0.26 0.00 0.00 60.65 58.18 3g68 s ILE 235 Cb 0.00 -2.46 -0.09 0.00 1.25 0.00 0.00 42.46 41.16 3g68 s ILE 235 CO 0.00 0.00 1.61 -2.84 0.24 0.00 0.00 174.94 173.95 3g68 s PRO 236 N -4.06 4.20 -0.05 0.37 0.02 -1.26 -4.63 135.00 129.60 3g68 s PRO 236 Ca 0.36 2.36 -0.02 0.00 0.02 0.00 0.00 61.00 63.73 3g68 s PRO 236 Cb 0.05 -3.34 0.04 0.00 0.02 0.00 0.00 34.50 31.27 3g68 s PRO 236 CO 0.13 -0.67 0.09 0.08 -0.33 0.00 0.00 177.00 176.31 3g68 s VAL 237 N 1.78 -0.09 0.01 3.83 1.01 -1.26 -1.26 120.40 124.42 3g68 s VAL 237 Ca 0.72 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.98 3g68 s VAL 237 Cb -0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 3g68 s VAL 237 CO 0.32 0.11 -0.06 -0.89 0.00 0.00 0.00 175.10 174.58 3g68 s THR 238 N 1.46 0.41 0.00 3.92 2.01 -1.01 -4.77 115.64 117.65 3g68 s THR 238 Ca -0.05 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.48 3g68 s THR 238 Cb -0.12 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 3g68 s THR 238 CO -0.04 -0.06 0.01 -0.83 -0.69 0.00 0.00 174.62 173.01 3g68 s GLY 239 N -0.58 1.89 0.00 4.40 0.00 -1.26 -1.58 107.32 110.19 3g68 s GLY 239 Ca -0.02 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3g68 s GLY 239 CO -0.00 -0.82 0.02 -0.19 0.00 0.00 0.00 173.10 172.10 3g68 s TYR 240 N -1.11 0.08 0.57 1.90 1.51 0.32 -4.85 117.35 115.78 3g68 s TYR 240 Ca 0.20 -0.17 -0.17 0.00 -1.01 0.00 0.00 57.07 55.93 3g68 s TYR 240 Cb -0.12 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.62 3g68 s TYR 240 CO 0.11 -0.10 1.06 -2.00 -1.11 0.00 0.00 175.55 173.51 3g68 s GLU 241 N -0.66 3.38 0.13 -0.62 -6.30 -1.26 -0.96 118.70 112.41 3g68 s GLU 241 Ca -0.07 1.27 -0.25 0.00 -2.50 0.00 0.00 54.97 53.42 3g68 s GLU 241 Cb -0.05 -2.04 -0.02 0.00 0.00 0.00 0.00 34.13 32.02 3g68 s GLU 241 CO -0.00 -0.77 1.63 0.35 0.02 0.00 0.00 175.26 176.48 3g68 h PHE 242 N 0.67 -0.74 -0.53 5.30 3.04 -1.24 -1.71 116.94 121.73 3g68 h PHE 242 Ca -0.48 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.53 3g68 h PHE 242 Cb 1.22 0.34 -0.03 0.00 2.56 0.00 0.00 35.95 40.04 3g68 h PHE 242 CO 0.57 -0.36 0.33 0.93 -2.02 0.00 0.00 178.31 177.77 3g68 h GLU 243 N -0.36 0.64 -0.24 1.11 4.39 -1.94 -2.79 114.58 115.40 3g68 h GLU 243 Ca 0.09 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 3g68 h GLU 243 Cb 0.50 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3g68 h GLU 243 CO -0.30 0.42 -0.09 1.05 -1.16 0.00 0.00 179.01 178.93 3g68 h GLU 244 N 0.66 0.38 -0.76 2.33 4.11 -1.87 -1.90 114.58 117.52 3g68 h GLU 244 Ca 0.21 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.55 3g68 h GLU 244 Cb -0.01 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3g68 h GLU 244 CO -0.08 0.48 0.46 0.35 0.07 0.00 0.00 179.01 180.29 3g68 h PHE 245 N 0.36 0.99 -0.18 2.06 3.04 -1.05 -1.38 116.94 120.77 3g68 h PHE 245 Ca 0.07 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 3g68 h PHE 245 Cb 0.38 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 3g68 h PHE 245 CO 0.01 0.66 -0.04 0.82 -2.02 0.00 0.00 178.31 177.73 3g68 h ILE 246 N 1.04 1.14 0.00 1.41 2.04 -1.18 -2.33 117.51 119.64 3g68 h ILE 246 Ca 0.27 -0.59 -0.65 0.00 1.00 0.00 0.00 64.86 64.89 3g68 h ILE 246 Cb -0.05 1.05 0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3g68 h ILE 246 CO -0.05 0.19 3.64 1.41 0.00 0.00 0.00 178.15 183.34 3g68 n HIS 247 N -4.34 2.49 0.00 1.37 8.25 -0.52 -4.52 115.22 117.95 3g68 n HIS 247 Ca -0.00 -2.97 0.00 0.00 -0.26 0.00 0.00 57.72 54.49 3g68 n HIS 247 Cb 0.21 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 28.89 3g68 n HIS 247 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g68 n GLY 248 N 3.68 2.23 0.23 -1.41 0.00 -1.24 -4.96 105.19 103.73 3g68 n GLY 248 Ca 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.71 3g68 n GLY 248 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g68 h ILE 249 N 0.00 1.27 -0.53 -0.61 1.08 -1.65 -2.75 117.51 114.32 3g68 h ILE 249 Ca 0.00 -1.31 0.15 0.00 -0.39 0.00 0.00 64.86 63.32 3g68 h ILE 249 Cb 0.00 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 3g68 h ILE 249 CO 0.00 0.41 0.50 0.10 -0.69 0.00 0.00 178.15 178.47 3g68 h TYR 250 N 0.39 0.00 -0.30 1.37 -0.00 -1.86 -1.76 116.97 114.81 3g68 h TYR 250 Ca 0.05 0.00 0.06 0.00 -0.00 0.00 0.00 58.73 58.84 3g68 h TYR 250 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.41 3g68 h TYR 250 CO 0.02 0.00 0.21 -0.91 -0.00 0.00 0.00 178.16 177.48 3g68 h ASN 251 N 0.00 0.11 -0.27 0.10 4.21 -1.85 -2.67 115.58 115.22 3g68 h ASN 251 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 3g68 h ASN 251 Cb 1.24 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 3g68 h ASN 251 CO -0.00 0.07 0.00 0.00 -1.29 0.00 0.00 177.43 176.21 3g68 n ALA 252 N -2.56 2.48 -2.48 -0.83 0.00 -0.66 -4.93 120.51 111.53 3g68 n ALA 252 Ca 0.03 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 3g68 n ALA 252 Cb 0.28 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 3g68 n ALA 252 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3g68 s ILE 253 N -1.65 4.71 0.34 0.00 -1.09 -1.01 -4.99 121.20 117.50 3g68 s ILE 253 Ca 0.33 1.96 0.05 0.00 -2.23 0.00 0.00 60.65 60.76 3g68 s ILE 253 Cb 0.18 -4.27 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 3g68 s ILE 253 CO 0.26 0.26 0.34 -0.46 -1.23 0.00 0.00 174.94 174.12 3g68 n ASN 254 N 3.26 -0.91 0.20 3.58 0.23 -1.26 -5.03 115.26 115.33 3g68 n ASN 254 Ca 0.03 -3.11 0.15 0.00 -0.53 0.00 0.00 54.58 51.11 3g68 n ASN 254 Cb 0.50 1.94 0.65 0.00 -2.08 0.00 0.00 39.78 40.79 3g68 n ASN 254 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3g68 h SER 255 N 2.03 0.00 -0.06 0.53 4.64 -1.92 -0.83 113.55 117.94 3g68 h SER 255 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3g68 h SER 255 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3g68 h SER 255 CO 0.35 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.78 3g68 n ASP 256 N -2.57 1.51 -4.76 4.97 8.00 -1.26 -4.57 116.55 117.86 3g68 n ASP 256 Ca 0.00 -1.55 -0.40 0.00 0.71 0.00 0.00 54.79 53.56 3g68 n ASP 256 Cb 0.19 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.21 3g68 n ASP 256 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g68 s SER 257 N -1.88 7.52 -0.12 -2.24 0.01 -0.32 -4.16 113.70 112.52 3g68 s SER 257 Ca 0.37 1.81 -0.02 0.00 1.31 0.00 0.00 55.95 59.42 3g68 s SER 257 Cb 0.20 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 3g68 s SER 257 CO 0.32 0.18 -0.05 -0.89 0.41 0.00 0.00 173.24 173.20 3g68 s THR 258 N -1.18 3.82 -0.07 1.44 2.01 -0.15 -4.33 115.64 117.18 3g68 s THR 258 Ca 0.39 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.99 3g68 s THR 258 Cb -0.24 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.66 3g68 s THR 258 CO 0.29 0.54 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.05 3g68 s ILE 259 N -0.16 0.87 -0.20 1.82 1.01 -0.01 -0.82 121.20 123.71 3g68 s ILE 259 Ca 0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3g68 s ILE 259 Cb -0.13 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 3g68 s ILE 259 CO 0.03 0.31 -0.01 -0.36 0.00 0.00 0.00 174.94 174.90 3g68 s PHE 260 N 1.05 3.01 -0.27 3.97 0.08 -0.55 -0.72 117.98 124.56 3g68 s PHE 260 Ca -0.08 -0.55 -0.06 0.00 0.12 0.00 0.00 56.93 56.36 3g68 s PHE 260 Cb -0.14 -2.07 -0.00 0.00 -0.57 0.00 0.00 43.02 40.23 3g68 s PHE 260 CO -0.01 -0.29 0.05 0.42 -0.10 0.00 0.00 175.22 175.29 3g68 s ILE 261 N 1.04 3.92 -0.66 0.64 1.01 0.01 -0.50 121.20 126.66 3g68 s ILE 261 Ca 0.02 -0.51 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 3g68 s ILE 261 Cb -0.14 -2.92 0.12 0.00 0.01 0.00 0.00 42.46 39.52 3g68 s ILE 261 CO 0.01 0.23 0.78 -0.76 0.00 0.00 0.00 174.94 175.20 3g68 s LEU 262 N 1.52 5.41 -0.53 2.97 1.43 -0.18 -0.35 118.68 128.96 3g68 s LEU 262 Ca 0.04 -1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 51.36 3g68 s LEU 262 Cb -0.16 -2.31 0.08 0.00 0.03 0.00 0.00 46.19 43.83 3g68 s LEU 262 CO 0.01 -1.08 0.59 -0.62 0.23 0.00 0.00 176.35 175.48 3g68 s ASP 263 N 3.50 6.19 0.00 2.29 2.15 0.24 -3.92 116.67 127.12 3g68 s ASP 263 Ca 0.15 -1.21 0.30 0.00 0.43 0.00 0.00 52.55 52.22 3g68 s ASP 263 Cb -0.20 -2.26 1.50 0.00 -0.30 0.00 0.00 42.92 41.66 3g68 s ASP 263 CO 0.03 -0.90 2.00 0.35 -0.17 0.00 0.00 175.17 176.48 3g68 n THR 264 N 5.48 0.00 -0.94 1.71 -2.24 -1.26 -4.24 114.28 112.79 3g68 n THR 264 Ca -0.09 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3g68 n THR 264 Cb 0.44 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3g68 n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g68 n GLY 265 N 1.10 0.77 0.79 3.38 0.00 -1.26 -4.90 105.19 105.07 3g68 n GLY 265 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3g68 n GLY 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g68 n LYS 266 N -2.43 1.94 -3.88 1.61 5.02 -1.26 -4.86 118.16 114.30 3g68 n LYS 266 Ca 0.00 -1.59 -0.34 0.00 -2.02 0.00 0.00 58.31 54.35 3g68 n LYS 266 Cb 0.00 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.41 3g68 n LYS 266 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3g68 s GLU 267 N -2.16 1.94 0.60 1.97 2.56 -1.26 -4.98 118.70 117.37 3g68 s GLU 267 Ca 0.25 -1.72 0.37 0.00 0.00 0.00 0.00 54.97 53.88 3g68 s GLU 267 Cb 0.19 -3.38 1.84 0.00 2.00 0.00 0.00 34.13 34.78 3g68 s GLU 267 CO 0.39 -0.93 2.17 -1.00 -0.56 0.00 0.00 175.26 175.32 3g68 h PRO 268 N 7.91 0.00 0.00 4.30 0.13 -2.04 -2.53 132.00 139.76 3g68 h PRO 268 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3g68 h PRO 268 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3g68 h PRO 268 CO 0.61 0.02 0.00 0.54 -0.23 0.00 0.00 178.00 178.94 3g68 n ARG 269 N -3.18 0.87 -0.33 0.86 1.74 -1.26 -4.21 116.66 111.15 3g68 n ARG 269 Ca -0.01 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.06 3g68 n ARG 269 Cb 0.20 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.25 3g68 n ARG 269 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3g68 h VAL 270 N 0.00 1.14 -0.33 1.55 2.07 -1.89 -2.44 116.25 116.35 3g68 h VAL 270 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3g68 h VAL 270 Cb 0.04 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 3g68 h VAL 270 CO 0.00 0.20 0.21 0.74 0.02 0.00 0.00 177.57 178.74 3g68 h THR 271 N 1.11 1.10 0.00 2.57 2.02 -1.84 -0.62 112.91 117.24 3g68 h THR 271 Ca 0.36 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3g68 h THR 271 Cb 0.02 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3g68 h THR 271 CO -0.12 0.09 0.00 0.29 0.37 0.00 0.00 175.52 176.15 3g68 n LYS 272 N -4.85 0.16 0.00 6.66 5.02 -0.92 -1.40 118.16 122.83 3g68 n LYS 272 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3g68 n LYS 272 Cb 0.03 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3g68 n LYS 272 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3g68 n ILE 274 N 0.90 0.00 -0.08 -0.18 5.41 -0.24 -1.23 119.36 123.93 3g68 n ILE 274 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3g68 n ILE 274 Cb 0.08 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.98 3g68 n ILE 274 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3g68 h ASP 275 N 0.00 0.37 -0.07 4.38 3.32 -1.49 0.78 116.42 123.71 3g68 h ASP 275 Ca 0.00 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3g68 h ASP 275 Cb 0.00 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3g68 h ASP 275 CO 0.00 0.40 0.03 0.58 -1.72 0.00 0.00 179.24 178.53 3g68 h VAL 276 N 0.31 1.11 -0.22 -1.35 2.07 -1.44 -2.88 116.25 113.86 3g68 h VAL 276 Ca 0.09 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3g68 h VAL 276 Cb 0.13 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3g68 h VAL 276 CO -0.01 0.10 -0.16 -0.07 0.02 0.00 0.00 177.57 177.44 3g68 h LEU 277 N -0.02 0.36 -1.34 2.57 3.38 -1.79 -2.33 115.31 116.14 3g68 h LEU 277 Ca 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3g68 h LEU 277 Cb 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3g68 h LEU 277 CO -0.00 0.55 0.00 0.28 0.09 0.00 0.00 178.44 179.35 3g68 h SER 278 N 0.34 0.00 1.49 -0.43 0.02 -0.67 -0.68 113.55 113.63 3g68 h SER 278 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3g68 h SER 278 Cb 0.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 3g68 h SER 278 CO 0.03 0.00 -0.07 1.23 -1.14 0.00 0.00 176.83 176.88 3g68 h GLY 279 N 1.88 0.00 0.00 -3.77 0.00 -1.21 -3.34 103.07 96.64 3g68 h GLY 279 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3g68 h GLY 279 CO 0.00 0.00 -2.21 0.79 0.00 0.00 0.00 176.54 175.12 3g68 n TRP 280 N -3.14 0.00 -3.78 5.60 8.01 -0.36 -5.02 117.44 118.75 3g68 n TRP 280 Ca 0.02 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.08 3g68 n TRP 280 Cb 0.46 -0.81 -0.10 0.00 -2.01 0.00 0.00 31.31 28.84 3g68 n TRP 280 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3g68 s THR 281 N -2.73 0.03 -2.19 -0.99 -1.32 -0.61 -2.80 115.64 105.04 3g68 s THR 281 Ca -0.09 -0.26 0.29 0.00 -1.21 0.00 0.00 61.69 60.42 3g68 s THR 281 Cb 0.08 -0.49 0.63 0.00 -1.51 0.00 0.00 72.50 71.20 3g68 s THR 281 CO 0.80 -0.14 1.90 -0.62 -2.21 0.00 0.00 174.62 174.34 3g68 n GLU 282 N 2.13 1.28 -1.92 7.08 -0.58 -1.26 -4.16 120.64 123.21 3g68 n GLU 282 Ca -0.17 -0.55 -0.36 0.00 -0.42 0.00 0.00 57.16 55.66 3g68 n GLU 282 Cb 0.57 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.99 3g68 n GLU 282 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3g68 n ASN 283 N -0.38 7.01 -4.55 1.62 3.02 -1.26 -4.96 115.26 115.76 3g68 n ASN 283 Ca 0.19 -3.81 -0.36 0.00 -0.03 0.00 0.00 54.58 50.57 3g68 n ASN 283 Cb 0.27 -0.93 -0.11 0.00 -0.61 0.00 0.00 39.78 38.40 3g68 n ASN 283 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3g68 s VAL 284 N -5.09 4.74 -0.17 2.41 1.01 -1.26 -0.83 120.40 121.21 3g68 s VAL 284 Ca 0.53 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3g68 s VAL 284 Cb 0.44 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.66 3g68 s VAL 284 CO -0.30 0.36 -0.13 -0.36 0.00 0.00 0.00 175.10 174.68 3g68 s PHE 285 N 1.18 2.32 -0.14 5.22 0.08 0.11 -4.82 117.98 121.92 3g68 s PHE 285 Ca 0.05 -1.41 -0.06 0.00 0.12 0.00 0.00 56.93 55.63 3g68 s PHE 285 Cb -0.14 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 3g68 s PHE 285 CO 0.04 -0.71 0.09 0.00 -0.10 0.00 0.00 175.22 174.54 3g68 s ALA 286 N 1.43 3.59 -0.12 5.36 0.00 -1.26 -0.81 121.76 129.96 3g68 s ALA 286 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3g68 s ALA 286 Cb -0.14 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.13 3g68 s ALA 286 CO -0.10 0.45 -0.17 0.42 0.00 0.00 0.00 175.76 176.36 3g68 s ILE 287 N -0.48 1.68 -2.49 0.00 1.01 0.52 -1.14 121.20 120.30 3g68 s ILE 287 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3g68 s ILE 287 Cb -0.12 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.84 3g68 s ILE 287 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.04 3g68 n GLY 288 N 4.16 -1.83 0.19 6.18 0.00 -0.54 -0.60 105.19 112.75 3g68 n GLY 288 Ca -0.19 -1.13 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 3g68 n GLY 288 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g68 h ARG 289 N 0.00 0.24 -0.53 1.61 3.08 -1.71 -1.37 114.38 115.70 3g68 h ARG 289 Ca 0.00 -0.14 -0.37 0.00 0.07 0.00 0.00 59.98 59.55 3g68 h ARG 289 Cb 0.00 0.01 -0.39 0.00 0.08 0.00 0.00 29.97 29.67 3g68 h ARG 289 CO 0.00 0.68 -0.93 -0.25 -1.07 0.00 0.00 179.97 178.40 3g68 n ASP 290 N -3.96 3.15 -4.80 7.04 8.00 -1.26 -4.68 116.55 120.05 3g68 n ASP 290 Ca -0.02 -2.97 -0.34 0.00 0.71 0.00 0.00 54.79 52.16 3g68 n ASP 290 Cb 0.54 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 3g68 n ASP 290 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3g68 s VAL 291 N -3.93 3.80 0.72 2.53 -7.23 -1.26 -5.02 120.40 110.02 3g68 s VAL 291 Ca 0.40 1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 61.57 3g68 s VAL 291 Cb 0.37 -3.49 0.04 0.00 0.56 0.00 0.00 36.38 33.86 3g68 s VAL 291 CO -0.01 -0.21 1.23 -0.89 -0.31 0.00 0.00 175.10 174.91 3g68 s THR 292 N -1.94 2.17 -0.48 5.32 2.01 -1.26 -4.90 115.64 116.56 3g68 s THR 292 Ca 0.66 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.47 3g68 s THR 292 Cb -0.17 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 3g68 s THR 292 CO 0.21 -0.04 1.63 -1.83 -0.69 0.00 0.00 174.62 173.90 3g68 s GLU 293 N -3.81 3.18 -0.14 4.92 1.03 -1.26 -4.74 118.70 117.88 3g68 s GLU 293 Ca 0.76 0.85 -0.22 0.00 0.03 0.00 0.00 54.97 56.39 3g68 s GLU 293 Cb -0.31 -4.20 0.05 0.00 -0.80 0.00 0.00 34.13 28.88 3g68 s GLU 293 CO 0.45 -2.06 0.56 1.21 -1.33 0.00 0.00 175.26 174.09 3g68 s ASN 294 N 5.74 -0.54 0.48 0.83 3.84 -1.26 -5.04 114.94 118.99 3g68 s ASN 294 Ca 0.65 0.86 0.17 0.00 0.21 0.00 0.00 52.86 54.76 3g68 s ASN 294 Cb -0.15 0.86 1.17 0.00 -0.55 0.00 0.00 41.25 42.59 3g68 s ASN 294 CO 0.28 -0.35 2.02 0.44 -2.79 0.00 0.00 177.10 176.70 3g68 h ASP 295 N 4.43 0.19 1.14 -4.21 5.19 -2.00 -1.85 116.42 119.32 3g68 h ASP 295 Ca -0.28 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 3g68 h ASP 295 Cb 1.16 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 3g68 h ASP 295 CO 0.25 0.12 -0.06 0.11 -3.12 0.00 0.00 179.24 176.54 3g68 h LYS 296 N 0.22 0.00 -6.35 3.56 1.57 -1.95 -3.45 116.57 110.17 3g68 h LYS 296 Ca 0.21 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.43 3g68 h LYS 296 Cb 0.53 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3g68 h LYS 296 CO -0.04 0.06 -0.14 -0.80 -0.57 0.00 0.00 179.45 177.96 3g68 s ASN 297 N -5.89 6.65 -0.28 0.86 0.01 -0.70 -4.05 114.94 111.55 3g68 s ASN 297 Ca 0.02 0.90 0.02 0.00 -0.71 0.00 0.00 52.86 53.09 3g68 s ASN 297 Cb 0.09 -2.22 0.06 0.00 0.41 0.00 0.00 41.25 39.59 3g68 s ASN 297 CO 0.58 0.00 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.89 3g68 s LEU 298 N -2.52 3.72 -0.38 0.60 2.96 -0.29 -4.81 118.68 117.96 3g68 s LEU 298 Ca 0.43 -1.47 -0.21 0.00 -0.22 0.00 0.00 54.13 52.66 3g68 s LEU 298 Cb -0.12 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3g68 s LEU 298 CO 0.21 -0.23 0.67 -0.75 -1.32 0.00 0.00 176.35 174.92 3g68 s LYS 299 N 1.11 3.60 -0.04 1.98 2.20 -1.26 -1.47 119.74 125.86 3g68 s LYS 299 Ca -0.06 -0.00 0.03 0.00 -0.36 0.00 0.00 55.97 55.58 3g68 s LYS 299 Cb -0.20 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 3g68 s LYS 299 CO -0.05 -0.83 -0.12 0.96 -0.36 0.00 0.00 175.35 174.95 3g68 s ILE 300 N 2.83 1.05 -0.90 5.43 -4.36 -0.52 -4.97 121.20 119.76 3g68 s ILE 300 Ca 0.25 -0.49 -0.18 0.00 -0.26 0.00 0.00 60.65 59.97 3g68 s ILE 300 Cb -0.14 -0.92 0.14 0.00 1.25 0.00 0.00 42.46 42.78 3g68 s ILE 300 CO 0.16 0.32 1.07 -0.62 0.24 0.00 0.00 174.94 176.12 3g68 s ASP 301 N 0.23 6.61 0.01 4.36 2.15 -1.26 -3.06 116.67 125.70 3g68 s ASP 301 Ca -0.05 -2.05 -0.01 0.00 0.43 0.00 0.00 52.55 50.86 3g68 s ASP 301 Cb -0.11 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 3g68 s ASP 301 CO 0.01 -1.03 0.16 -0.63 -0.17 0.00 0.00 175.17 173.51 3g68 s ILE 302 N 2.48 5.22 0.70 4.11 1.01 -1.26 -5.06 121.20 128.40 3g68 s ILE 302 Ca 0.30 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 3g68 s ILE 302 Cb -0.06 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3g68 s ILE 302 CO -0.08 0.28 0.55 1.07 0.00 0.00 0.00 174.94 176.76 3g68 n THR 303 N 0.84 1.93 0.37 2.92 5.66 -1.26 -4.91 114.28 119.84 3g68 n THR 303 Ca -0.10 -0.41 0.13 0.00 -3.05 0.00 0.00 64.05 60.61 3g68 n THR 303 Cb 0.52 -0.75 0.30 0.00 -1.55 0.00 0.00 70.33 68.85 3g68 n THR 303 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 3g68 h ASP 304 N -0.26 0.00 -2.24 1.09 3.58 -1.98 -3.43 116.42 113.18 3g68 h ASP 304 Ca -0.46 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.44 3g68 h ASP 304 Cb 1.36 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.42 3g68 h ASP 304 CO 0.44 0.00 1.27 -3.20 -2.88 0.00 0.00 179.24 174.87 3g68 n ASN 305 N -2.78 3.92 0.18 2.28 2.85 -1.26 -4.87 115.26 115.58 3g68 n ASN 305 Ca 0.04 0.77 0.13 0.00 -0.11 0.00 0.00 54.58 55.42 3g68 n ASN 305 Cb 0.47 -1.51 0.62 0.00 1.24 0.00 0.00 39.78 40.59 3g68 n ASN 305 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3g68 h PRO 306 N 11.32 0.00 0.00 1.20 0.13 -1.98 -2.64 132.00 140.03 3g68 h PRO 306 Ca -0.48 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 3g68 h PRO 306 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 3g68 h PRO 306 CO 0.95 0.00 -2.44 0.66 -0.23 0.00 0.00 178.00 176.93 3g68 n TYR 307 N -2.42 0.10 0.60 1.56 4.01 -1.26 -4.62 117.16 115.13 3g68 n TYR 307 Ca 0.00 0.04 0.13 0.00 -0.16 0.00 0.00 57.90 57.91 3g68 n TYR 307 Cb 0.16 -1.01 0.43 0.00 -0.31 0.00 0.00 39.34 38.61 3g68 n TYR 307 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3g68 n TYR 308 N -4.05 0.85 0.34 -0.72 4.01 -1.17 -2.72 117.16 113.69 3g68 n TYR 308 Ca -0.51 0.26 0.21 0.00 -0.16 0.00 0.00 57.90 57.70 3g68 n TYR 308 Cb 0.90 -0.93 1.13 0.00 -0.31 0.00 0.00 39.34 40.13 3g68 n TYR 308 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 3g68 h GLN 309 N 0.00 0.00 -0.17 -0.72 3.07 -1.73 -1.95 115.11 113.61 3g68 h GLN 309 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.79 3g68 h GLN 309 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.20 3g68 h GLN 309 CO 0.00 0.00 0.20 0.00 0.09 0.00 0.00 178.83 179.12 3g68 h THR 310 N 0.00 0.44 -0.00 1.86 1.03 -1.81 -1.40 112.91 113.03 3g68 h THR 310 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3g68 h THR 310 Cb 0.15 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 3g68 h THR 310 CO -0.00 0.00 -0.00 0.49 -0.01 0.00 0.00 175.52 176.00 3g68 n PHE 311 N -3.75 0.00 0.00 0.00 3.72 -0.73 -4.21 117.46 112.48 3g68 n PHE 311 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3g68 n PHE 311 Cb 0.32 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3g68 n PHE 311 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3g68 n ASN 312 N -0.90 2.44 -0.27 4.37 5.03 -0.61 -4.77 115.26 120.55 3g68 n ASN 312 Ca 0.23 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.63 3g68 n ASN 312 Cb 0.14 0.25 0.06 0.00 -1.02 0.00 0.00 39.78 39.22 3g68 n ASN 312 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3g68 h PHE 313 N 0.00 0.94 -0.20 3.10 3.04 -1.51 -2.88 116.94 119.42 3g68 h PHE 313 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3g68 h PHE 313 Cb 0.47 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.66 3g68 h PHE 313 CO 0.00 0.60 0.00 0.44 -2.02 0.00 0.00 178.31 177.33 3g68 n ILE 314 N -4.56 0.25 -0.24 1.41 -5.35 -1.26 -4.36 119.36 105.25 3g68 n ILE 314 Ca 0.07 -0.49 -0.00 0.00 -0.27 0.00 0.00 62.75 62.06 3g68 n ILE 314 Cb 0.02 0.74 0.07 0.00 -1.74 0.00 0.00 39.64 38.73 3g68 n ILE 314 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3g68 h VAL 315 N 3.31 0.26 -0.87 7.28 2.07 -1.88 -0.56 116.25 125.86 3g68 h VAL 315 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3g68 h VAL 315 Cb 0.72 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3g68 h VAL 315 CO 0.00 0.00 0.56 1.55 0.02 0.00 0.00 177.57 179.70 3g68 h PRO 316 N -0.03 0.81 -0.08 1.57 0.13 -1.82 0.22 132.00 132.81 3g68 h PRO 316 Ca 0.33 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.29 3g68 h PRO 316 Cb 0.53 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 31.48 3g68 h PRO 316 CO -0.74 0.54 -0.43 0.82 -0.23 0.00 0.00 178.00 177.97 3g68 h ILE 317 N 0.84 1.40 -0.58 -3.56 1.08 -1.46 -1.73 117.51 113.50 3g68 h ILE 317 Ca 0.41 -1.80 0.01 0.00 -0.39 0.00 0.00 64.86 63.09 3g68 h ILE 317 Cb 0.44 2.28 -0.03 0.00 -3.07 0.00 0.00 36.82 36.44 3g68 h ILE 317 CO -0.17 0.53 0.38 1.56 -0.69 0.00 0.00 178.15 179.76 3g68 h GLN 318 N -0.02 0.75 -0.37 2.37 4.20 -0.90 -1.90 115.11 119.24 3g68 h GLN 318 Ca -0.03 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 3g68 h GLN 318 Cb 1.08 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 3g68 h GLN 318 CO 0.09 0.49 -0.15 1.25 -0.67 0.00 0.00 178.83 179.84 3g68 h LEU 319 N 0.77 0.66 -0.82 1.46 5.85 -0.77 -1.96 115.31 120.51 3g68 h LEU 319 Ca 0.21 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3g68 h LEU 319 Cb -0.07 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 3g68 h LEU 319 CO -0.05 0.83 0.52 0.40 -0.34 0.00 0.00 178.44 179.80 3g68 h ILE 320 N 0.60 1.09 -0.52 4.05 2.04 -0.60 -0.49 117.51 123.68 3g68 h ILE 320 Ca 0.10 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3g68 h ILE 320 Cb 0.60 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3g68 h ILE 320 CO 0.04 0.18 0.30 0.00 0.00 0.00 0.00 178.15 178.67 3g68 h GLY 322 N 0.77 0.60 0.22 0.00 0.00 -0.83 -3.40 103.07 100.43 3g68 h GLY 322 Ca 0.19 -1.17 -0.37 0.00 0.00 0.00 0.00 47.33 45.97 3g68 h GLY 322 CO -0.03 1.03 -2.17 1.18 0.00 0.00 0.00 176.54 176.55 3g68 n GLU 323 N -3.75 0.67 -0.01 4.80 1.02 -0.25 -4.52 120.64 118.60 3g68 n GLU 323 Ca -0.10 0.26 -0.18 0.00 -0.02 0.00 0.00 57.16 57.12 3g68 n GLU 323 Cb 0.93 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.65 3g68 n GLU 323 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3g68 h ILE 324 N -0.23 1.34 -0.54 -3.67 1.08 -1.42 -3.20 117.51 110.87 3g68 h ILE 324 Ca -0.51 -2.00 0.14 0.00 -0.39 0.00 0.00 64.86 62.09 3g68 h ILE 324 Cb 1.84 2.26 -0.03 0.00 -3.07 0.00 0.00 36.82 37.82 3g68 h ILE 324 CO -0.08 0.61 0.38 -0.65 -0.69 0.00 0.00 178.15 177.72 3g68 h PRO 325 N 0.24 0.10 0.00 2.37 0.11 -1.77 0.32 132.00 133.38 3g68 h PRO 325 Ca -0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3g68 h PRO 325 Cb 1.37 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 3g68 h PRO 325 CO 0.14 0.07 -0.04 1.79 -0.21 0.00 0.00 178.00 179.75 3g68 h THR 326 N 0.11 0.38 -0.20 -1.15 1.35 -1.53 0.33 112.91 112.20 3g68 h THR 326 Ca 0.26 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 3g68 h THR 326 Cb 0.88 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3g68 h THR 326 CO -0.03 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3g68 n LEU 327 N -3.55 1.98 -0.88 3.87 4.77 0.10 -4.15 117.00 119.14 3g68 n LEU 327 Ca -0.02 -0.83 0.05 0.00 -0.03 0.00 0.00 56.01 55.18 3g68 n LEU 327 Cb 0.14 -0.13 0.12 0.00 -2.33 0.00 0.00 43.42 41.22 3g68 n LEU 327 CO 0.26 0.41 0.26 0.54 -1.33 0.00 0.00 177.39 177.54 3g68 n ARG 328 N 0.53 0.86 -1.64 3.23 1.74 0.04 -5.00 116.66 116.41 3g68 n ARG 328 Ca 0.17 -2.59 -0.10 0.00 -0.77 0.00 0.00 57.85 54.56 3g68 n ARG 328 Cb 0.38 -0.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 3g68 n ARG 328 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g68 n GLY 329 N -0.47 0.68 3.09 -0.13 0.00 -1.13 -5.02 105.19 102.21 3g68 n GLY 329 Ca 0.13 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3g68 n GLY 329 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g68 s VAL 330 N -2.42 1.02 -0.45 1.61 1.01 -0.83 -5.05 120.40 115.30 3g68 s VAL 330 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 3g68 s VAL 330 Cb 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.56 3g68 s VAL 330 CO 0.00 0.28 0.52 -0.62 0.00 0.00 0.00 175.10 175.29 3g68 s ASP 331 N -0.31 6.23 0.01 3.32 -1.08 -1.26 -2.99 116.67 120.59 3g68 s ASP 331 Ca 0.05 -0.68 0.13 0.00 -0.52 0.00 0.00 52.55 51.53 3g68 s ASP 331 Cb -0.05 -2.26 0.57 0.00 -1.46 0.00 0.00 42.92 39.72 3g68 s ASP 331 CO -0.00 -0.70 1.43 -0.81 0.52 0.00 0.00 175.17 175.60 3g68 n PRO 332 N 5.86 0.01 0.00 4.34 -0.04 -1.26 -1.92 135.00 141.99 3g68 n PRO 332 Ca -0.06 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 3g68 n PRO 332 Cb 0.47 -1.52 0.37 0.00 -0.04 0.00 0.00 33.50 32.78 3g68 n PRO 332 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3g68 n SER 333 N -1.53 0.69 -4.26 3.54 7.64 -1.26 -4.29 113.62 114.15 3g68 n SER 333 Ca 0.03 -0.52 -0.35 0.00 1.01 0.00 0.00 58.87 59.04 3g68 n SER 333 Cb 0.15 0.12 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 3g68 n SER 333 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3g68 s VAL 334 N -2.72 3.17 0.89 0.44 1.01 -0.81 -1.83 120.40 120.55 3g68 s VAL 334 Ca 0.19 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 3g68 s VAL 334 Cb 0.19 -2.55 0.13 0.00 0.00 0.00 0.00 36.38 34.15 3g68 s VAL 334 CO 0.59 0.28 1.14 -2.16 0.00 0.00 0.00 175.10 174.94 3g68 s PRO 335 N 1.40 1.23 0.21 2.72 0.04 -1.26 -4.81 135.00 134.54 3g68 s PRO 335 Ca 0.03 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 3g68 s PRO 335 Cb -0.16 -1.76 0.27 0.00 0.04 0.00 0.00 34.50 32.90 3g68 s PRO 335 CO -0.03 -2.47 1.64 -0.22 0.04 0.00 0.00 177.00 175.96 3g68 h LYS 336 N -1.73 0.05 -3.61 4.56 3.64 -1.95 -3.37 116.57 114.16 3g68 h LYS 336 Ca -0.43 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.38 3g68 h LYS 336 Cb 1.26 -0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 32.67 3g68 h LYS 336 CO 0.43 0.03 -0.76 0.34 -2.27 0.00 0.00 179.45 177.22 3g68 s ASP 337 N -5.23 3.74 0.32 4.20 -1.08 -1.26 -5.00 116.67 112.36 3g68 s ASP 337 Ca -0.14 -1.40 0.24 0.00 -0.52 0.00 0.00 52.55 50.74 3g68 s ASP 337 Cb 0.19 -0.82 1.14 0.00 -1.46 0.00 0.00 42.92 41.97 3g68 s ASP 337 CO 0.74 -0.37 1.74 0.71 0.52 0.00 0.00 175.17 178.50 3g68 h THR 338 N 6.51 0.00 -0.32 1.71 1.35 -1.97 -2.57 112.91 117.63 3g68 h THR 338 Ca -0.15 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3g68 h THR 338 Cb 1.04 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3g68 h THR 338 CO 0.43 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.24 3g68 n ARG 339 N -2.34 3.27 -0.02 4.72 1.74 -1.26 -4.71 116.66 118.06 3g68 n ARG 339 Ca 0.00 -2.90 -0.11 0.00 -0.77 0.00 0.00 57.85 54.08 3g68 n ARG 339 Cb 0.16 -1.92 -0.04 0.00 -1.02 0.00 0.00 32.46 29.64 3g68 n ARG 339 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3g68 h PHE 340 N 2.19 0.18 0.00 -1.55 3.57 -1.89 0.11 116.94 119.56 3g68 h PHE 340 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3g68 h PHE 340 Cb 1.53 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.21 3g68 h PHE 340 CO 0.60 0.11 0.00 0.72 -2.23 0.00 0.00 178.31 177.51 3g68 n HIS 341 N -4.99 0.00 0.00 0.41 8.25 -1.26 -1.85 115.22 115.78 3g68 n HIS 341 Ca -0.04 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3g68 n HIS 341 Cb 0.03 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3g68 n HIS 341 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g68 n LYS 343 N 0.81 0.00 0.02 -0.41 5.02 0.39 -0.95 118.16 123.04 3g68 n LYS 343 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 3g68 n LYS 343 Cb 0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.01 3g68 n LYS 343 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3g68 h LEU 344 N 0.00 0.63 0.00 -0.35 -0.00 -1.63 -3.50 115.31 110.45 3g68 h LEU 344 Ca 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 57.88 57.11 3g68 h LEU 344 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.47 3g68 h LEU 344 CO 0.00 1.32 0.00 0.61 -0.00 0.00 0.00 178.44 180.37 3g68 n GLY 345 N 1.14 0.83 3.95 0.83 0.00 -0.12 -5.04 105.19 106.77 3g68 n GLY 345 Ca -0.11 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.81 3g68 n GLY 345 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g68 s SER 346 N -0.97 5.47 0.70 1.61 0.01 -1.26 -4.99 113.70 114.28 3g68 s SER 346 Ca 0.00 0.28 -0.07 0.00 1.31 0.00 0.00 55.95 57.47 3g68 s SER 346 Cb 0.00 -1.28 0.06 0.00 0.21 0.00 0.00 66.02 65.00 3g68 s SER 346 CO 0.00 -1.03 1.02 -1.59 0.41 0.00 0.00 173.24 172.05 3g68 s LYS 347 N -4.79 2.22 -0.19 12.44 -2.85 -1.26 -5.00 119.74 120.31 3g68 s LYS 347 Ca 0.54 -0.23 -0.29 0.00 -1.00 0.00 0.00 55.97 54.99 3g68 s LYS 347 Cb -0.10 -2.16 -0.03 0.00 -2.06 0.00 0.00 37.83 33.48 3g68 s LYS 347 CO 0.40 -1.23 1.54 -1.59 0.10 0.00 0.00 175.35 174.57 3g68 s LYS 348 N -5.25 3.94 -0.28 1.78 -2.85 -1.26 -4.97 119.74 110.84 3g68 s LYS 348 Ca 0.60 1.71 -0.29 0.00 -1.00 0.00 0.00 55.97 56.99 3g68 s LYS 348 Cb -0.11 -3.97 -0.00 0.00 -2.06 0.00 0.00 37.83 31.69 3g68 s LYS 348 CO 0.45 -1.11 1.35 -0.51 0.10 0.00 0.00 175.35 175.63 3g68 s LEU 349 N 4.66 3.89 0.00 2.77 2.01 -1.26 -4.97 118.68 125.78 3g68 s LEU 349 Ca 0.68 1.28 0.32 0.00 0.01 0.00 0.00 54.13 56.42 3g68 s LEU 349 Cb -0.25 -3.54 1.83 0.00 0.01 0.00 0.00 46.19 44.24 3g68 s LEU 349 CO 0.26 -1.10 2.19 0.59 1.01 0.00 0.00 176.35 179.30