#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi8 s GLU 2 N 0.00 2.51 0.59 0.03 2.56 -1.26 -5.11 118.70 118.02 3gi8 s GLU 2 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 54.97 53.69 3gi8 s GLU 2 Cb 0.00 -2.97 -0.04 0.00 2.00 0.00 0.00 34.13 33.12 3gi8 s GLU 2 CO 0.00 -0.51 0.98 -0.51 -0.56 0.00 0.00 175.26 174.66 3gi8 s LEU 3 N 1.22 3.31 -0.03 2.70 1.43 -1.26 -5.10 118.68 120.95 3gi8 s LEU 3 Ca -0.04 1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 54.34 3gi8 s LEU 3 Cb -0.18 -4.33 0.01 0.00 0.03 0.00 0.00 46.19 41.72 3gi8 s LEU 3 CO -0.04 -0.82 0.08 -1.59 0.23 0.00 0.00 176.35 174.20 3gi8 s LYS 4 N -5.09 0.07 0.64 1.70 -2.85 -1.26 -5.10 119.74 107.86 3gi8 s LYS 4 Ca 0.53 0.14 -0.16 0.00 -1.00 0.00 0.00 55.97 55.49 3gi8 s LYS 4 Cb -0.11 -0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 35.64 3gi8 s LYS 4 CO 0.52 -0.04 1.12 -0.80 0.10 0.00 0.00 175.35 176.24 3gi8 s ASN 5 N 0.27 5.20 -0.02 0.03 0.02 -1.26 -5.01 114.94 114.17 3gi8 s ASN 5 Ca -0.02 2.04 -0.30 0.00 -1.02 0.00 0.00 52.86 53.56 3gi8 s ASN 5 Cb -0.03 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 3gi8 s ASN 5 CO -0.01 -1.57 1.26 -0.54 0.02 0.00 0.00 177.10 176.27 3gi8 s LYS 6 N -3.94 4.34 0.07 -0.60 1.02 -1.26 -5.03 119.74 114.34 3gi8 s LYS 6 Ca 0.68 1.78 0.05 0.00 0.02 0.00 0.00 55.97 58.50 3gi8 s LYS 6 Cb -0.21 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 3gi8 s LYS 6 CO 0.39 -0.46 -0.06 0.15 -0.92 0.00 0.00 175.35 174.44 3gi8 s LYS 7 N 2.11 2.38 0.08 1.68 1.02 -1.26 -4.88 119.74 120.87 3gi8 s LYS 7 Ca 0.59 -0.88 -0.17 0.00 0.02 0.00 0.00 55.97 55.53 3gi8 s LYS 7 Cb -0.27 -2.43 -0.07 0.00 -0.52 0.00 0.00 37.83 34.54 3gi8 s LYS 7 CO 0.24 0.55 0.53 -0.51 -0.92 0.00 0.00 175.35 175.24 3gi8 s LEU 8 N -1.98 4.46 0.62 3.17 1.43 0.12 -4.78 118.68 121.71 3gi8 s LEU 8 Ca 0.21 1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 54.35 3gi8 s LEU 8 Cb -0.11 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3gi8 s LEU 8 CO 0.13 0.24 1.01 -0.94 0.23 0.00 0.00 176.35 177.01 3gi8 s SER 9 N -1.29 6.07 0.23 2.29 1.04 -1.26 -0.37 113.70 120.41 3gi8 s SER 9 Ca 0.30 1.28 -0.13 0.00 0.48 0.00 0.00 55.95 57.88 3gi8 s SER 9 Cb -0.18 -2.31 0.29 0.00 0.10 0.00 0.00 66.02 63.92 3gi8 s SER 9 CO 0.18 -0.93 1.60 0.25 0.98 0.00 0.00 173.24 175.32 3gi8 h LEU 10 N -0.31 -0.80 -0.84 2.42 5.85 -1.93 -1.06 115.31 118.64 3gi8 h LEU 10 Ca -0.45 0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 3gi8 h LEU 10 Cb 1.21 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 3gi8 h LEU 10 CO 0.62 -0.26 -0.44 -0.50 -0.34 0.00 0.00 178.44 177.52 3gi8 h TRP 11 N -0.02 0.00 -0.47 1.25 4.06 -1.98 -1.08 115.95 117.70 3gi8 h TRP 11 Ca 0.35 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.24 3gi8 h TRP 11 Cb 0.56 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.70 3gi8 h TRP 11 CO -0.62 0.44 0.05 0.93 -3.56 0.00 0.00 178.44 175.68 3gi8 h GLU 12 N 0.00 0.79 -0.23 0.49 5.08 -1.61 -0.58 114.58 118.52 3gi8 h GLU 12 Ca -0.00 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3gi8 h GLU 12 Cb 0.97 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3gi8 h GLU 12 CO 0.06 0.82 -0.32 0.00 -1.00 0.00 0.00 179.01 178.57 3gi8 h ALA 13 N 0.94 1.02 0.05 3.43 0.00 -0.95 -1.85 119.26 121.90 3gi8 h ALA 13 Ca 0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gi8 h ALA 13 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gi8 h ALA 13 CO 0.01 0.59 -0.02 0.28 0.00 0.00 0.00 179.25 180.11 3gi8 h VAL 14 N 0.42 1.19 -0.69 0.00 2.07 -1.11 -2.60 116.25 115.53 3gi8 h VAL 14 Ca 0.05 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3gi8 h VAL 14 Cb 0.76 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3gi8 h VAL 14 CO 0.06 0.20 0.45 -1.28 0.02 0.00 0.00 177.57 177.02 3gi8 h SER 15 N -0.42 0.63 0.29 0.57 0.87 -1.05 0.13 113.55 114.57 3gi8 h SER 15 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3gi8 h SER 15 Cb 0.38 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3gi8 h SER 15 CO 0.01 0.41 -0.14 -0.03 -0.53 0.00 0.00 176.83 176.55 3gi8 h MET 16 N 0.72 -0.38 -0.20 2.24 -1.53 -1.31 -1.03 114.93 113.45 3gi8 h MET 16 Ca 0.29 0.03 -0.17 0.00 -3.44 0.00 0.00 59.70 56.41 3gi8 h MET 16 Cb 0.23 0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.36 3gi8 h MET 16 CO -0.09 -0.23 -0.56 0.00 0.14 0.00 0.00 176.91 176.17 3gi8 h ALA 17 N 0.29 0.64 -0.36 0.39 0.00 -1.01 -2.74 119.26 116.47 3gi8 h ALA 17 Ca -0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3gi8 h ALA 17 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gi8 h ALA 17 CO 0.07 0.69 0.18 0.28 0.00 0.00 0.00 179.25 180.46 3gi8 h VAL 18 N 0.47 1.17 -0.94 0.00 2.07 -0.79 -1.37 116.25 116.86 3gi8 h VAL 18 Ca 0.01 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.09 3gi8 h VAL 18 Cb 1.12 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3gi8 h VAL 18 CO 0.11 0.18 0.61 1.23 0.02 0.00 0.00 177.57 179.72 3gi8 h GLY 19 N 0.45 1.36 0.63 2.17 0.00 -1.10 0.01 103.07 106.59 3gi8 h GLY 19 Ca 0.12 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3gi8 h GLY 19 CO -0.02 0.40 -0.18 -2.08 0.00 0.00 0.00 176.54 174.66 3gi8 h VAL 20 N 1.18 1.41 0.00 4.60 2.07 -1.37 -2.36 116.25 121.78 3gi8 h VAL 20 Ca 0.37 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.40 3gi8 h VAL 20 Cb 0.02 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3gi8 h VAL 20 CO -0.12 0.43 -0.10 0.24 0.02 0.00 0.00 177.57 178.04 3gi8 h MET 21 N -0.22 -0.17 -0.07 1.57 2.86 -1.00 -2.59 114.93 115.30 3gi8 h MET 21 Ca -0.00 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3gi8 h MET 21 Cb 0.78 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3gi8 h MET 21 CO 0.04 -0.12 0.01 0.82 1.06 0.00 0.00 176.91 178.72 3gi8 h ILE 22 N -0.18 0.96 -0.01 -1.22 2.04 -1.08 -2.48 117.51 115.54 3gi8 h ILE 22 Ca 0.04 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3gi8 h ILE 22 Cb 0.23 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3gi8 h ILE 22 CO -0.10 0.01 0.06 1.23 0.00 0.00 0.00 178.15 179.35 3gi8 h GLY 23 N 0.04 0.00 0.24 5.37 0.00 -1.32 -0.44 103.07 106.96 3gi8 h GLY 23 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3gi8 h GLY 23 CO -0.05 0.00 -0.78 0.00 0.00 0.00 0.00 176.54 175.71 3gi8 n ALA 24 N -2.10 4.25 0.05 3.60 0.00 -0.95 -3.69 120.51 121.66 3gi8 n ALA 24 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3gi8 n ALA 24 Cb 0.13 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3gi8 n ALA 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gi8 n SER 25 N -1.36 0.30 -0.07 0.00 7.64 -0.79 -3.74 113.62 115.61 3gi8 n SER 25 Ca 0.05 0.16 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 3gi8 n SER 25 Cb 0.34 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 3gi8 n SER 25 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3gi8 h ILE 26 N 0.00 1.18 -0.02 0.44 1.08 -1.35 -2.49 117.51 116.36 3gi8 h ILE 26 Ca 0.00 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 3gi8 h ILE 26 Cb 0.27 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 3gi8 h ILE 26 CO 0.00 0.18 -0.09 0.49 -0.69 0.00 0.00 178.15 178.04 3gi8 n PHE 27 N -4.79 0.00 -0.02 1.37 3.72 -1.22 -4.48 117.46 112.05 3gi8 n PHE 27 Ca -0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.33 3gi8 n PHE 27 Cb 0.14 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 3gi8 n PHE 27 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3gi8 n SER 28 N 0.51 1.04 -0.85 4.37 7.64 -1.24 -4.71 113.62 120.38 3gi8 n SER 28 Ca 0.08 0.16 0.08 0.00 1.01 0.00 0.00 58.87 60.19 3gi8 n SER 28 Cb 0.34 -0.45 0.23 0.00 -1.01 0.00 0.00 64.21 63.32 3gi8 n SER 28 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3gi8 n ILE 29 N -3.51 1.88 -0.11 0.44 -5.35 -1.19 -4.55 119.36 106.97 3gi8 n ILE 29 Ca -0.05 -1.58 -0.04 0.00 -0.27 0.00 0.00 62.75 60.81 3gi8 n ILE 29 Cb 0.18 -0.01 0.17 0.00 -1.74 0.00 0.00 39.64 38.24 3gi8 n ILE 29 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3gi8 h PHE 30 N 1.97 0.83 0.00 4.28 3.57 -1.67 -1.79 116.94 124.13 3gi8 h PHE 30 Ca 0.00 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 3gi8 h PHE 30 Cb 1.23 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3gi8 h PHE 30 CO 0.43 0.76 -0.28 0.78 -2.23 0.00 0.00 178.31 177.77 3gi8 h GLY 31 N 0.97 0.00 1.68 2.40 0.00 -1.80 -2.38 103.07 103.93 3gi8 h GLY 31 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.29 3gi8 h GLY 31 CO 0.02 0.00 -0.77 -2.08 0.00 0.00 0.00 176.54 173.71 3gi8 h VAL 32 N 0.00 1.42 0.00 4.60 2.07 -1.63 -3.24 116.25 119.46 3gi8 h VAL 32 Ca -0.00 -2.28 -0.03 0.00 0.82 0.00 0.00 66.70 65.20 3gi8 h VAL 32 Cb 0.66 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3gi8 h VAL 32 CO 0.04 0.68 -0.16 1.23 0.02 0.00 0.00 177.57 179.37 3gi8 h GLY 33 N 1.49 0.00 1.07 2.17 0.00 -0.82 -2.94 103.07 104.04 3gi8 h GLY 33 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 3gi8 h GLY 33 CO 0.13 0.00 -0.66 0.00 0.00 0.00 0.00 176.54 176.00 3gi8 h ALA 34 N 1.84 0.28 -0.25 3.60 0.00 -1.55 -1.40 119.26 121.78 3gi8 h ALA 34 Ca -0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 3gi8 h ALA 34 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gi8 h ALA 34 CO 0.02 0.58 -0.42 -0.22 0.00 0.00 0.00 179.25 179.21 3gi8 h LYS 35 N 0.41 0.59 0.00 0.00 3.64 -1.61 -2.89 116.57 116.72 3gi8 h LYS 35 Ca -0.04 -0.31 -0.21 0.00 -1.27 0.00 0.00 60.65 58.82 3gi8 h LYS 35 Cb 1.29 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 3gi8 h LYS 35 CO 0.14 0.90 -1.60 -0.89 -2.27 0.00 0.00 179.45 175.73 3gi8 n ILE 36 N -4.02 1.51 0.02 2.00 5.41 -1.14 -4.71 119.36 118.42 3gi8 n ILE 36 Ca -0.02 -0.08 -0.13 0.00 1.00 0.00 0.00 62.75 63.51 3gi8 n ILE 36 Cb 0.53 -2.13 -0.14 0.00 -0.71 0.00 0.00 39.64 37.19 3gi8 n ILE 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gi8 h ALA 37 N -0.94 0.52 -0.81 -1.39 0.00 -1.55 -3.42 119.26 111.68 3gi8 h ALA 37 Ca -0.32 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.29 3gi8 h ALA 37 Cb 1.23 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3gi8 h ALA 37 CO -0.20 1.37 0.00 0.41 0.00 0.00 0.00 179.25 180.84 3gi8 n GLY 38 N 1.66 3.78 0.00 0.00 0.00 -0.60 -1.93 105.19 108.09 3gi8 n GLY 38 Ca -0.18 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3gi8 n GLY 38 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gi8 n ARG 39 N 13.61 0.02 -0.03 1.61 1.85 -1.26 -2.82 116.66 129.64 3gi8 n ARG 39 Ca 0.00 0.07 0.12 0.00 -1.00 0.00 0.00 57.85 57.03 3gi8 n ARG 39 Cb 0.00 -1.50 0.53 0.00 -1.05 0.00 0.00 32.46 30.44 3gi8 n ARG 39 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gi8 n ASN 40 N -1.49 1.01 -0.26 2.89 3.02 -0.81 -4.41 115.26 115.22 3gi8 n ASN 40 Ca 0.06 -1.49 -0.05 0.00 -0.03 0.00 0.00 54.58 53.08 3gi8 n ASN 40 Cb 0.29 -0.04 0.06 0.00 -0.61 0.00 0.00 39.78 39.48 3gi8 n ASN 40 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3gi8 h LEU 41 N 1.44 0.83 -1.42 3.41 5.85 -1.67 0.12 115.31 123.87 3gi8 h LEU 41 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3gi8 h LEU 41 Cb 0.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3gi8 h LEU 41 CO 0.00 0.61 0.26 -0.65 -0.34 0.00 0.00 178.44 178.32 3gi8 h PRO 42 N 0.98 0.65 0.00 5.25 0.11 -1.86 -1.45 132.00 135.67 3gi8 h PRO 42 Ca 0.26 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 3gi8 h PRO 42 Cb -0.10 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 3gi8 h PRO 42 CO -0.06 0.48 -0.45 0.93 -0.21 0.00 0.00 178.00 178.70 3gi8 h GLU 43 N 0.66 0.00 -0.23 1.05 3.07 -1.66 -3.18 114.58 114.29 3gi8 h GLU 43 Ca 0.17 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 3gi8 h GLU 43 Cb 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3gi8 h GLU 43 CO -0.03 0.45 -0.09 1.15 -1.40 0.00 0.00 179.01 179.09 3gi8 h THR 44 N 0.00 1.30 -0.13 1.13 2.02 0.18 -2.67 112.91 114.74 3gi8 h THR 44 Ca -0.00 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 3gi8 h THR 44 Cb 1.01 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 3gi8 h THR 44 CO 0.06 0.35 -0.07 -0.26 0.37 0.00 0.00 175.52 175.97 3gi8 h PHE 45 N 0.17 0.20 -0.05 3.16 0.04 -1.33 0.83 116.94 119.97 3gi8 h PHE 45 Ca 0.05 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3gi8 h PHE 45 Cb 0.57 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 3gi8 h PHE 45 CO 0.06 0.27 -0.05 0.82 -0.60 0.00 0.00 178.31 178.81 3gi8 h ILE 46 N 0.19 1.37 -0.76 -0.55 2.04 -1.54 -2.48 117.51 115.78 3gi8 h ILE 46 Ca 0.04 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 3gi8 h ILE 46 Cb 0.25 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 3gi8 h ILE 46 CO 0.01 0.32 0.28 0.25 0.00 0.00 0.00 178.15 179.01 3gi8 h LEU 47 N -0.33 1.08 -0.63 1.44 5.85 -1.09 -1.57 115.31 120.07 3gi8 h LEU 47 Ca 0.01 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.58 3gi8 h LEU 47 Cb 0.54 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3gi8 h LEU 47 CO 0.01 0.98 0.37 0.28 -0.34 0.00 0.00 178.44 179.74 3gi8 h SER 48 N 1.12 0.59 0.08 1.25 0.02 -0.92 -2.55 113.55 113.14 3gi8 h SER 48 Ca 0.25 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3gi8 h SER 48 Cb 0.26 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3gi8 h SER 48 CO -0.02 0.40 -0.11 1.23 -1.14 0.00 0.00 176.83 177.20 3gi8 h GLY 49 N 0.72 0.07 0.95 -3.77 0.00 -0.88 -2.84 103.07 97.32 3gi8 h GLY 49 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3gi8 h GLY 49 CO -0.13 0.04 0.15 -2.22 0.00 0.00 0.00 176.54 174.37 3gi8 h ILE 50 N 0.07 1.12 -0.66 2.60 1.08 -0.88 -1.13 117.51 119.72 3gi8 h ILE 50 Ca 0.01 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 3gi8 h ILE 50 Cb 0.24 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3gi8 h ILE 50 CO 0.02 0.12 0.34 1.88 -0.69 0.00 0.00 178.15 179.82 3gi8 h TYR 51 N 0.32 0.93 -0.66 1.37 0.05 -1.45 -2.05 116.97 115.47 3gi8 h TYR 51 Ca 0.09 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.86 3gi8 h TYR 51 Cb 0.07 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 3gi8 h TYR 51 CO -0.03 0.68 0.42 0.00 -1.05 0.00 0.00 178.16 178.17 3gi8 h ALA 52 N 1.16 0.86 0.00 3.88 0.00 -1.28 -0.22 119.26 123.66 3gi8 h ALA 52 Ca 0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3gi8 h ALA 52 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gi8 h ALA 52 CO -0.03 0.19 -0.33 -0.07 0.00 0.00 0.00 179.25 179.01 3gi8 h LEU 53 N 0.82 0.00 -0.25 0.00 3.38 -0.92 0.39 115.31 118.73 3gi8 h LEU 53 Ca 0.26 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 3gi8 h LEU 53 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gi8 h LEU 53 CO -0.09 0.33 -0.58 -0.07 0.09 0.00 0.00 178.44 178.11 3gi8 h LEU 54 N 0.00 0.94 -0.39 1.67 3.38 -0.75 -2.61 115.31 117.55 3gi8 h LEU 54 Ca -0.00 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 3gi8 h LEU 54 Cb 0.63 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3gi8 h LEU 54 CO 0.04 1.33 0.14 0.58 0.09 0.00 0.00 178.44 180.62 3gi8 h VAL 55 N 0.59 1.21 -0.55 1.22 2.07 -0.52 -3.06 116.25 117.22 3gi8 h VAL 55 Ca -0.00 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3gi8 h VAL 55 Cb 1.20 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3gi8 h VAL 55 CO 0.13 0.24 0.37 0.00 0.02 0.00 0.00 177.57 178.32 3gi8 h ALA 56 N 0.98 2.03 -0.99 1.67 0.00 -0.21 -1.69 119.26 121.04 3gi8 h ALA 56 Ca 0.13 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3gi8 h ALA 56 Cb 0.23 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 3gi8 h ALA 56 CO -0.01 -0.15 0.62 -0.92 0.00 0.00 0.00 179.25 178.80 3gi8 h TYR 57 N 0.37 1.14 0.12 0.00 3.20 -1.35 0.13 116.97 120.59 3gi8 h TYR 57 Ca 0.25 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.96 3gi8 h TYR 57 Cb 0.50 -0.36 0.02 0.00 1.54 0.00 0.00 36.73 38.43 3gi8 h TYR 57 CO -0.00 0.49 -0.83 0.77 -1.64 0.00 0.00 178.16 176.95 3gi8 h SER 58 N 1.03 0.52 -0.26 -2.11 0.02 -1.45 -3.00 113.55 108.29 3gi8 h SER 58 Ca 0.47 -0.92 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 3gi8 h SER 58 Cb 0.39 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3gi8 h SER 58 CO -0.24 1.39 0.04 1.88 -1.14 0.00 0.00 176.83 178.76 3gi8 h TYR 59 N -0.27 0.06 -0.09 3.45 -1.99 -1.22 0.24 116.97 117.15 3gi8 h TYR 59 Ca -0.14 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.50 3gi8 h TYR 59 Cb 1.63 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.36 3gi8 h TYR 59 CO 0.18 0.01 -0.42 1.79 -0.00 0.00 0.00 178.16 179.72 3gi8 h THR 60 N 0.13 1.31 -0.31 -2.88 1.35 -0.87 0.79 112.91 112.43 3gi8 h THR 60 Ca 0.12 -1.52 -0.18 0.00 -0.55 0.00 0.00 66.41 64.28 3gi8 h THR 60 Cb 0.13 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3gi8 h THR 60 CO -0.17 0.45 -0.50 0.11 -0.25 0.00 0.00 175.52 175.16 3gi8 h LYS 61 N 0.17 0.88 0.20 4.72 1.79 -1.36 -2.69 116.57 120.29 3gi8 h LYS 61 Ca 0.01 -0.54 -0.32 0.00 -2.18 0.00 0.00 60.65 57.63 3gi8 h LYS 61 Cb 0.81 0.05 0.03 0.00 -1.58 0.00 0.00 32.23 31.55 3gi8 h LYS 61 CO 0.06 1.18 -1.39 -0.07 -1.08 0.00 0.00 179.45 178.15 3gi8 h LEU 62 N 0.67 0.80 -0.69 2.94 3.38 -0.65 -3.28 115.31 118.49 3gi8 h LEU 62 Ca 0.03 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3gi8 h LEU 62 Cb 1.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3gi8 h LEU 62 CO 0.11 1.64 0.00 1.23 0.09 0.00 0.00 178.44 181.51 3gi8 h GLY 63 N 0.40 0.00 2.00 0.83 0.00 0.49 0.13 103.07 106.92 3gi8 h GLY 63 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3gi8 h GLY 63 CO 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.49 3gi8 h ALA 64 N 2.27 0.82 0.00 3.60 0.00 -1.53 -3.38 119.26 121.04 3gi8 h ALA 64 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3gi8 h ALA 64 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3gi8 h ALA 64 CO 0.00 0.38 -1.41 1.63 0.00 0.00 0.00 179.25 179.85 3gi8 n LYS 65 N -3.21 2.40 -3.99 0.00 4.76 -1.00 -4.66 118.16 112.47 3gi8 n LYS 65 Ca 0.02 -0.02 -0.34 0.00 -2.87 0.00 0.00 58.31 55.11 3gi8 n LYS 65 Cb 0.63 -1.16 -0.15 0.00 -1.84 0.00 0.00 35.03 32.51 3gi8 n LYS 65 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3gi8 s ILE 66 N -2.22 2.65 -0.29 -0.18 1.01 0.41 -5.09 121.20 117.50 3gi8 s ILE 66 Ca -0.03 -1.18 -0.07 0.00 0.00 0.00 0.00 60.65 59.37 3gi8 s ILE 66 Cb 0.02 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.11 3gi8 s ILE 66 CO 0.27 0.16 0.08 -0.69 0.00 0.00 0.00 174.94 174.76 3gi8 s VAL 67 N 1.27 4.05 -0.25 2.92 1.01 -1.26 -4.44 120.40 123.69 3gi8 s VAL 67 Ca -0.02 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 3gi8 s VAL 67 Cb -0.17 -3.05 0.08 0.00 0.00 0.00 0.00 36.38 33.24 3gi8 s VAL 67 CO -0.05 0.13 0.78 -0.55 0.00 0.00 0.00 175.10 175.41 3gi8 s SER 68 N 1.53 -0.68 0.00 3.32 0.15 -1.26 -4.41 113.70 112.35 3gi8 s SER 68 Ca 0.03 1.26 0.15 0.00 0.70 0.00 0.00 55.95 58.10 3gi8 s SER 68 Cb -0.17 1.26 0.74 0.00 -1.71 0.00 0.00 66.02 66.15 3gi8 s SER 68 CO 0.03 -0.26 1.42 0.59 1.20 0.00 0.00 173.24 176.21 3gi8 n ASN 69 N 2.43 0.00 0.15 5.45 3.02 -1.26 -2.56 115.26 122.49 3gi8 n ASN 69 Ca -0.14 0.11 0.03 0.00 -0.03 0.00 0.00 54.58 54.55 3gi8 n ASN 69 Cb 0.55 -0.30 0.09 0.00 -0.61 0.00 0.00 39.78 39.51 3gi8 n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gi8 h ALA 70 N 2.69 0.74 -0.49 5.41 0.00 -1.85 -3.39 119.26 122.36 3gi8 h ALA 70 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gi8 h ALA 70 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gi8 h ALA 70 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 3gi8 n GLY 71 N 1.04 2.48 0.29 0.00 0.00 -1.06 -2.96 105.19 104.98 3gi8 n GLY 71 Ca 0.02 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.80 3gi8 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gi8 h PRO 72 N 0.00 0.48 -0.97 1.61 0.13 -1.92 -2.25 132.00 129.08 3gi8 h PRO 72 Ca 0.00 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.24 3gi8 h PRO 72 Cb 0.00 -0.11 -0.09 0.00 0.13 0.00 0.00 31.00 30.93 3gi8 h PRO 72 CO 0.00 0.32 0.59 0.82 -0.23 0.00 0.00 178.00 179.49 3gi8 h ILE 73 N 0.49 0.84 0.46 -3.56 1.08 -1.91 0.22 117.51 115.12 3gi8 h ILE 73 Ca 0.45 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 3gi8 h ILE 73 Cb 0.70 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3gi8 h ILE 73 CO -0.41 0.16 -0.31 0.00 -0.69 0.00 0.00 178.15 176.90 3gi8 h ALA 74 N 1.56 -0.75 -0.21 1.87 0.00 -1.57 -0.79 119.26 119.37 3gi8 h ALA 74 Ca 0.51 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.33 3gi8 h ALA 74 Cb 0.61 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3gi8 h ALA 74 CO -0.31 -0.94 -0.15 0.74 0.00 0.00 0.00 179.25 178.59 3gi8 h PHE 75 N -0.75 -0.36 -0.53 0.00 0.04 -1.07 -1.52 116.94 112.75 3gi8 h PHE 75 Ca -0.05 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.80 3gi8 h PHE 75 Cb 0.62 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.92 3gi8 h PHE 75 CO -0.12 -0.21 0.26 0.82 -0.60 0.00 0.00 178.31 178.46 3gi8 h ILE 76 N -0.14 0.94 -0.63 -0.55 2.04 -0.58 -2.02 117.51 116.56 3gi8 h ILE 76 Ca 0.12 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3gi8 h ILE 76 Cb 0.32 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3gi8 h ILE 76 CO -0.30 0.09 0.19 -0.74 0.00 0.00 0.00 178.15 177.39 3gi8 h HIS 77 N 0.51 1.00 -0.21 1.37 2.76 -0.81 0.94 115.15 120.71 3gi8 h HIS 77 Ca 0.24 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3gi8 h HIS 77 Cb 0.16 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3gi8 h HIS 77 CO -0.11 0.81 -0.01 -0.22 -1.30 0.00 0.00 177.93 177.09 3gi8 h LYS 78 N 0.94 0.31 0.00 5.26 1.63 -0.60 0.17 116.57 124.27 3gi8 h LYS 78 Ca 0.21 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 3gi8 h LYS 78 Cb 0.28 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3gi8 h LYS 78 CO -0.01 0.35 -0.29 0.00 -3.45 0.00 0.00 179.45 176.06 3gi8 h ALA 79 N 1.69 0.03 -0.21 5.00 0.00 -0.83 -3.41 119.26 121.53 3gi8 h ALA 79 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gi8 h ALA 79 Cb 0.23 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gi8 h ALA 79 CO 0.01 0.22 0.00 0.44 0.00 0.00 0.00 179.25 179.92 3gi8 n ILE 80 N -4.67 0.31 -4.41 0.00 -5.35 0.27 -5.04 119.36 100.48 3gi8 n ILE 80 Ca -0.07 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 3gi8 n ILE 80 Cb 0.23 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 3gi8 n ILE 80 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gi8 n GLY 81 N 1.15 -0.84 3.73 3.28 0.00 0.60 -4.75 105.19 108.36 3gi8 n GLY 81 Ca 0.14 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 3gi8 n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gi8 s ASP 82 N -4.00 6.75 0.06 1.61 2.15 -1.26 -4.47 116.67 117.51 3gi8 s ASP 82 Ca 0.00 0.90 -0.11 0.00 0.43 0.00 0.00 52.55 53.77 3gi8 s ASP 82 Cb 0.00 -2.31 0.04 0.00 -0.30 0.00 0.00 42.92 40.35 3gi8 s ASP 82 CO 0.00 0.01 0.50 -0.46 -0.17 0.00 0.00 175.17 175.05 3gi8 n ASN 83 N 3.51 -0.75 0.23 -0.34 0.23 -1.26 -5.01 115.26 111.86 3gi8 n ASN 83 Ca -0.07 -1.35 0.07 0.00 -0.53 0.00 0.00 54.58 52.70 3gi8 n ASN 83 Cb 0.52 1.21 0.53 0.00 -2.08 0.00 0.00 39.78 39.96 3gi8 n ASN 83 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 3gi8 h ILE 84 N 1.46 0.98 -0.08 1.53 3.07 -1.98 -2.56 117.51 119.92 3gi8 h ILE 84 Ca -0.12 -0.76 -0.05 0.00 1.55 0.00 0.00 64.86 65.47 3gi8 h ILE 84 Cb 0.55 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 3gi8 h ILE 84 CO 0.16 0.21 -0.16 0.40 -1.05 0.00 0.00 178.15 177.71 3gi8 h ILE 85 N 0.00 1.40 -0.88 0.16 1.08 -1.97 -1.53 117.51 115.77 3gi8 h ILE 85 Ca -0.00 -1.44 0.04 0.00 -0.39 0.00 0.00 64.86 63.07 3gi8 h ILE 85 Cb 0.41 2.14 -0.05 0.00 -3.07 0.00 0.00 36.82 36.26 3gi8 h ILE 85 CO 0.03 0.41 0.58 0.74 -0.69 0.00 0.00 178.15 179.21 3gi8 h THR 86 N -0.20 1.12 -0.03 -0.27 2.02 -1.83 -1.21 112.91 112.50 3gi8 h THR 86 Ca 0.00 -0.37 -0.24 0.00 0.77 0.00 0.00 66.41 66.58 3gi8 h THR 86 Cb 0.74 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3gi8 h THR 86 CO 0.04 0.20 -0.95 1.23 0.37 0.00 0.00 175.52 176.40 3gi8 h GLY 87 N 1.07 0.66 1.00 2.16 0.00 -1.46 -2.59 103.07 103.91 3gi8 h GLY 87 Ca 0.36 -1.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 3gi8 h GLY 87 CO -0.12 0.98 0.29 0.00 0.00 0.00 0.00 176.54 177.69 3gi8 h ALA 88 N 0.58 0.83 -0.02 3.60 0.00 -1.03 -2.40 119.26 120.81 3gi8 h ALA 88 Ca -0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3gi8 h ALA 88 Cb 1.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3gi8 h ALA 88 CO 0.18 0.40 -0.26 -0.07 0.00 0.00 0.00 179.25 179.50 3gi8 h LEU 89 N 0.88 0.03 -0.35 0.00 3.38 -1.23 0.20 115.31 118.23 3gi8 h LEU 89 Ca 0.22 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 3gi8 h LEU 89 Cb 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3gi8 h LEU 89 CO -0.02 0.30 -0.29 0.77 0.09 0.00 0.00 178.44 179.28 3gi8 h SER 90 N 0.03 0.86 -0.20 -0.43 4.64 -1.17 0.90 113.55 118.19 3gi8 h SER 90 Ca 0.00 -0.45 -0.15 0.00 -0.47 0.00 0.00 61.79 60.72 3gi8 h SER 90 Cb 0.48 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3gi8 h SER 90 CO 0.03 1.13 -0.43 0.40 -0.87 0.00 0.00 176.83 177.10 3gi8 h ILE 91 N 0.60 1.29 -0.87 0.95 2.04 -1.11 -2.18 117.51 118.23 3gi8 h ILE 91 Ca 0.06 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.31 3gi8 h ILE 91 Cb 0.86 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3gi8 h ILE 91 CO 0.07 0.52 0.53 0.25 0.00 0.00 0.00 178.15 179.52 3gi8 h LEU 92 N 0.61 1.04 -0.73 1.44 5.85 -0.52 0.14 115.31 123.13 3gi8 h LEU 92 Ca 0.04 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3gi8 h LEU 92 Cb 0.99 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3gi8 h LEU 92 CO 0.09 0.80 0.32 0.25 -0.34 0.00 0.00 178.44 179.57 3gi8 h LEU 93 N 1.20 0.98 -0.44 2.25 5.85 -0.65 -0.60 115.31 123.90 3gi8 h LEU 93 Ca 0.31 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3gi8 h LEU 93 Cb -0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 3gi8 h LEU 93 CO -0.06 0.87 0.16 -0.25 -0.34 0.00 0.00 178.44 178.81 3gi8 h TRP 94 N 1.04 0.70 -0.04 1.25 7.01 -0.95 -2.95 115.95 122.00 3gi8 h TRP 94 Ca 0.25 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 3gi8 h TRP 94 Cb 0.17 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.02 3gi8 h TRP 94 CO 0.01 0.62 0.02 0.52 -2.79 0.00 0.00 178.44 176.81 3gi8 h MET 95 N 0.58 0.06 -0.46 2.65 2.86 -0.32 -1.90 114.93 118.39 3gi8 h MET 95 Ca 0.15 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3gi8 h MET 95 Cb 0.23 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3gi8 h MET 95 CO -0.01 0.05 0.19 0.66 1.06 0.00 0.00 176.91 178.87 3gi8 h SER 96 N 0.06 0.59 0.26 1.22 4.64 -0.94 -0.92 113.55 118.46 3gi8 h SER 96 Ca 0.02 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 61.04 3gi8 h SER 96 Cb 0.02 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3gi8 h SER 96 CO -0.00 0.53 -0.96 1.88 -0.87 0.00 0.00 176.83 177.41 3gi8 h TYR 97 N 0.65 0.71 0.26 4.77 0.05 -1.40 -2.75 116.97 119.26 3gi8 h TYR 97 Ca 0.16 -0.38 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 3gi8 h TYR 97 Cb 0.12 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3gi8 h TYR 97 CO 0.01 1.21 -0.20 0.28 -1.05 0.00 0.00 178.16 178.41 3gi8 h VAL 98 N 0.27 0.58 0.00 -2.88 2.07 -0.81 -1.73 116.25 113.76 3gi8 h VAL 98 Ca -0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3gi8 h VAL 98 Cb 1.60 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3gi8 h VAL 98 CO 0.17 0.00 -0.39 0.40 0.02 0.00 0.00 177.57 177.77 3gi8 h ILE 99 N -0.46 1.04 -0.93 4.57 2.04 -1.31 -2.62 117.51 119.83 3gi8 h ILE 99 Ca -0.02 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 3gi8 h ILE 99 Cb 0.40 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 3gi8 h ILE 99 CO -0.01 0.39 0.55 0.28 0.00 0.00 0.00 178.15 179.36 3gi8 h SER 100 N 0.00 1.13 -0.44 1.72 0.02 -1.16 -2.23 113.55 112.59 3gi8 h SER 100 Ca -0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3gi8 h SER 100 Cb 0.82 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3gi8 h SER 100 CO 0.05 0.88 0.18 0.40 -1.14 0.00 0.00 176.83 177.21 3gi8 h ILE 101 N 1.29 1.19 -0.79 3.27 2.04 -0.94 -0.76 117.51 122.82 3gi8 h ILE 101 Ca 0.33 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 3gi8 h ILE 101 Cb -0.03 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3gi8 h ILE 101 CO -0.06 0.23 0.32 0.00 0.00 0.00 0.00 178.15 178.64 3gi8 h ALA 102 N 1.50 1.07 -0.30 1.87 0.00 -1.37 0.06 119.26 122.09 3gi8 h ALA 102 Ca 0.17 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3gi8 h ALA 102 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gi8 h ALA 102 CO -0.01 0.66 -0.42 1.25 0.00 0.00 0.00 179.25 180.73 3gi8 h LEU 103 N 1.15 0.78 -0.85 0.00 5.85 -0.79 -2.25 115.31 119.21 3gi8 h LEU 103 Ca 0.26 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3gi8 h LEU 103 Cb 0.21 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3gi8 h LEU 103 CO -0.02 1.10 -0.44 -0.26 -0.34 0.00 0.00 178.44 178.47 3gi8 h PHE 104 N 0.59 0.00 -0.07 1.25 0.04 -1.03 -2.74 116.94 114.98 3gi8 h PHE 104 Ca 0.04 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3gi8 h PHE 104 Cb 0.97 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 3gi8 h PHE 104 CO 0.05 0.44 -0.03 0.00 -0.60 0.00 0.00 178.31 178.17 3gi8 h ALA 105 N 1.56 0.10 -0.39 2.45 0.00 -0.70 -2.45 119.26 119.82 3gi8 h ALA 105 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3gi8 h ALA 105 Cb 0.97 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3gi8 h ALA 105 CO 0.06 -0.15 0.17 0.87 0.00 0.00 0.00 179.25 180.20 3gi8 h LYS 106 N -0.22 0.58 -0.86 0.00 1.57 -1.45 -3.07 116.57 113.12 3gi8 h LYS 106 Ca 0.02 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3gi8 h LYS 106 Cb 0.47 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3gi8 h LYS 106 CO 0.01 0.54 0.53 0.78 -0.57 0.00 0.00 179.45 180.74 3gi8 h GLY 107 N 0.49 1.29 1.06 3.86 0.00 -1.51 -2.32 103.07 105.94 3gi8 h GLY 107 Ca 0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3gi8 h GLY 107 CO -0.01 0.26 0.56 -2.75 0.00 0.00 0.00 176.54 174.60 3gi8 h PHE 108 N 0.97 1.21 -0.15 5.60 3.57 -1.34 -2.80 116.94 123.99 3gi8 h PHE 108 Ca 0.37 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.70 3gi8 h PHE 108 Cb 0.17 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 3gi8 h PHE 108 CO -0.03 0.80 -0.63 0.00 -2.23 0.00 0.00 178.31 176.22 3gi8 h ALA 109 N 1.35 0.61 -0.41 2.41 0.00 -1.42 -2.77 119.26 119.02 3gi8 h ALA 109 Ca 0.33 -0.55 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3gi8 h ALA 109 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gi8 h ALA 109 CO -0.06 0.71 0.28 0.78 0.00 0.00 0.00 179.25 180.96 3gi8 h GLY 110 N 1.05 0.28 0.00 0.00 0.00 -1.15 -2.29 103.07 100.96 3gi8 h GLY 110 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3gi8 h GLY 110 CO 0.12 0.06 -1.62 -1.72 0.00 0.00 0.00 176.54 173.38 3gi8 n TYR 111 N -4.46 0.00 0.04 5.60 4.02 -1.21 -3.61 117.16 117.54 3gi8 n TYR 111 Ca 0.06 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.73 3gi8 n TYR 111 Cb 0.34 -0.31 -0.14 0.00 -0.02 0.00 0.00 39.34 39.20 3gi8 n TYR 111 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3gi8 h PHE 112 N 0.00 0.57 -0.15 -0.72 3.57 -1.13 -3.32 116.94 115.76 3gi8 h PHE 112 Ca 0.00 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 3gi8 h PHE 112 Cb 0.80 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3gi8 h PHE 112 CO 0.00 1.55 0.06 -0.07 -2.23 0.00 0.00 178.31 177.62 3gi8 h LEU 113 N -0.18 0.21 -2.52 0.59 3.38 -1.70 -2.64 115.31 112.45 3gi8 h LEU 113 Ca -0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3gi8 h LEU 113 Cb 1.86 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 3gi8 h LEU 113 CO 0.12 0.31 -0.02 -0.65 0.09 0.00 0.00 178.44 178.29 3gi8 h PRO 114 N 0.09 0.00 -0.16 1.13 0.11 -1.79 -1.38 132.00 129.99 3gi8 h PRO 114 Ca 0.05 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.02 3gi8 h PRO 114 Cb 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3gi8 h PRO 114 CO -0.00 0.02 -0.48 1.25 -0.21 0.00 0.00 178.00 178.58 3gi8 h LEU 115 N 0.00 0.46 -2.97 2.35 5.85 -1.57 -3.25 115.31 116.18 3gi8 h LEU 115 Ca -0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3gi8 h LEU 115 Cb 0.12 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3gi8 h LEU 115 CO 0.00 0.87 0.00 2.30 -0.34 0.00 0.00 178.44 181.27 3gi8 n ILE 116 N -3.98 1.28 -3.17 4.05 -5.35 -0.98 -5.02 119.36 106.18 3gi8 n ILE 116 Ca -0.02 -1.19 -0.06 0.00 -0.27 0.00 0.00 62.75 61.20 3gi8 n ILE 116 Cb 0.55 0.34 0.02 0.00 -1.74 0.00 0.00 39.64 38.80 3gi8 n ILE 116 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3gi8 n ASN 117 N 0.23 -7.26 -4.26 7.28 3.02 -0.62 -5.06 115.26 108.58 3gi8 n ASN 117 Ca 0.13 -0.31 -0.28 0.00 -0.03 0.00 0.00 54.58 54.08 3gi8 n ASN 117 Cb 0.52 -5.00 -0.15 0.00 -0.61 0.00 0.00 39.78 34.53 3gi8 n ASN 117 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gi8 s ALA 118 N -3.11 1.90 0.72 5.41 0.00 -0.62 -5.03 121.76 121.02 3gi8 s ALA 118 Ca 0.13 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 3gi8 s ALA 118 Cb -0.02 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3gi8 s ALA 118 CO 0.76 0.46 1.14 -1.25 0.00 0.00 0.00 175.76 176.87 3gi8 s PRO 119 N -0.69 2.37 -0.98 0.00 0.04 -1.26 -4.50 135.00 129.98 3gi8 s PRO 119 Ca 0.09 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.48 3gi8 s PRO 119 Cb -0.09 -1.89 0.17 0.00 0.04 0.00 0.00 34.50 32.73 3gi8 s PRO 119 CO -0.00 -1.61 1.13 0.42 0.04 0.00 0.00 177.00 176.98 3gi8 s ILE 120 N -2.30 5.04 0.63 0.56 1.09 -1.26 -4.81 121.20 120.15 3gi8 s ILE 120 Ca 0.69 -2.09 0.01 0.00 -1.10 0.00 0.00 60.65 58.16 3gi8 s ILE 120 Cb -0.23 -4.74 0.08 0.00 -1.06 0.00 0.00 42.46 36.51 3gi8 s ILE 120 CO 0.46 -1.43 0.87 0.20 -0.10 0.00 0.00 174.94 174.94 3gi8 s ASN 121 N 3.04 4.84 0.21 3.58 -0.87 -1.26 -5.00 114.94 119.48 3gi8 s ASN 121 Ca 0.32 -0.28 0.13 0.00 -1.57 0.00 0.00 52.86 51.46 3gi8 s ASN 121 Cb -0.06 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.25 40.80 3gi8 s ASN 121 CO -0.07 -1.49 1.32 0.74 -2.57 0.00 0.00 177.10 175.03 3gi8 h THR 122 N -0.18 1.04 0.08 1.60 2.02 -1.99 -3.23 112.91 112.24 3gi8 h THR 122 Ca -0.38 -2.51 -0.26 0.00 0.77 0.00 0.00 66.41 64.03 3gi8 h THR 122 Cb 1.28 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 70.17 3gi8 h THR 122 CO 0.45 0.59 -1.36 0.15 0.37 0.00 0.00 175.52 175.73 3gi8 h PHE 123 N 0.00 0.29 0.00 3.16 3.57 -1.98 -3.15 116.94 118.83 3gi8 h PHE 123 Ca -0.03 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.21 3gi8 h PHE 123 Cb 1.52 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 3gi8 h PHE 123 CO 0.00 1.53 -0.24 -0.97 -2.23 0.00 0.00 178.31 176.40 3gi8 h ASN 124 N -0.50 0.00 -0.03 0.41 -1.24 -1.90 -0.54 115.58 111.78 3gi8 h ASN 124 Ca -0.31 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.55 3gi8 h ASN 124 Cb 1.62 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.68 3gi8 h ASN 124 CO -0.02 0.24 -0.55 0.40 -1.29 0.00 0.00 177.43 176.21 3gi8 h ILE 125 N 0.00 1.41 -0.24 2.57 1.08 -1.74 -3.34 117.51 117.25 3gi8 h ILE 125 Ca -0.00 -1.98 -0.01 0.00 -0.39 0.00 0.00 64.86 62.48 3gi8 h ILE 125 Cb 0.66 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.87 3gi8 h ILE 125 CO 0.03 0.58 0.13 0.00 -0.69 0.00 0.00 178.15 178.20 3gi8 h ALA 126 N 0.37 1.77 -0.53 1.87 0.00 -1.30 -1.20 119.26 120.23 3gi8 h ALA 126 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gi8 h ALA 126 Cb 1.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3gi8 h ALA 126 CO 0.11 0.20 0.32 0.82 0.00 0.00 0.00 179.25 180.69 3gi8 h ILE 127 N 0.33 1.16 -0.23 0.00 1.08 -1.25 -1.59 117.51 117.02 3gi8 h ILE 127 Ca 0.09 -0.38 -0.15 0.00 -0.39 0.00 0.00 64.86 64.03 3gi8 h ILE 127 Cb 0.02 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 3gi8 h ILE 127 CO -0.01 0.17 -0.48 0.74 -0.69 0.00 0.00 178.15 177.88 3gi8 h THR 128 N 0.71 1.30 0.02 -0.27 2.02 -1.51 -1.83 112.91 113.35 3gi8 h THR 128 Ca 0.19 -1.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 3gi8 h THR 128 Cb -0.00 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3gi8 h THR 128 CO -0.03 0.53 -0.01 -0.33 0.37 0.00 0.00 175.52 176.05 3gi8 h GLU 129 N 0.49 -0.02 -0.37 6.66 5.08 -0.97 0.13 114.58 125.59 3gi8 h GLU 129 Ca 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3gi8 h GLU 129 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3gi8 h GLU 129 CO 0.09 0.06 0.05 0.82 -1.00 0.00 0.00 179.01 179.03 3gi8 h ILE 130 N -0.10 1.24 -0.02 3.13 2.04 -1.37 -3.18 117.51 119.25 3gi8 h ILE 130 Ca -0.00 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.98 3gi8 h ILE 130 Cb 0.09 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3gi8 h ILE 130 CO 0.00 0.30 -0.05 1.23 0.00 0.00 0.00 178.15 179.63 3gi8 h GLY 131 N 0.46 -0.03 1.52 5.37 0.00 -1.10 -1.42 103.07 107.87 3gi8 h GLY 131 Ca 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 3gi8 h GLY 131 CO 0.01 -0.06 -0.20 1.19 0.00 0.00 0.00 176.54 177.48 3gi8 h ILE 132 N -0.08 1.26 -0.27 2.60 6.09 -0.83 -0.50 117.51 125.78 3gi8 h ILE 132 Ca 0.03 -1.21 -0.14 0.00 -1.37 0.00 0.00 64.86 62.18 3gi8 h ILE 132 Cb 0.12 1.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 3gi8 h ILE 132 CO -0.07 0.39 -0.39 0.58 -3.07 0.00 0.00 178.15 175.59 3gi8 h VAL 133 N 0.50 1.29 -0.01 2.19 2.07 -1.52 -2.65 116.25 118.13 3gi8 h VAL 133 Ca 0.08 -1.56 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 3gi8 h VAL 133 Cb 0.62 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3gi8 h VAL 133 CO 0.04 0.50 -0.40 0.00 0.02 0.00 0.00 177.57 177.74 3gi8 h ALA 134 N 1.03 1.32 -0.19 1.67 0.00 -0.77 -1.83 119.26 120.50 3gi8 h ALA 134 Ca 0.05 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 3gi8 h ALA 134 Cb 0.91 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3gi8 h ALA 134 CO 0.08 0.51 -0.59 0.35 0.00 0.00 0.00 179.25 179.59 3gi8 h PHE 135 N 0.02 0.80 0.00 0.00 3.57 -0.91 -2.13 116.94 118.29 3gi8 h PHE 135 Ca -0.00 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.20 3gi8 h PHE 135 Cb 0.71 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.31 3gi8 h PHE 135 CO 0.00 1.06 -0.34 1.19 -2.23 0.00 0.00 178.31 177.99 3gi8 n PHE 136 N -3.95 0.50 0.13 0.41 3.72 -1.02 -1.46 117.46 115.79 3gi8 n PHE 136 Ca -0.04 0.15 -0.24 0.00 -0.05 0.00 0.00 57.45 57.27 3gi8 n PHE 136 Cb 0.63 -0.66 -0.16 0.00 -0.94 0.00 0.00 39.48 38.36 3gi8 n PHE 136 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3gi8 h THR 137 N 0.00 1.29 0.00 4.37 2.02 -1.30 -3.31 112.91 115.98 3gi8 h THR 137 Ca 0.00 -2.66 -0.06 0.00 0.77 0.00 0.00 66.41 64.46 3gi8 h THR 137 Cb 0.67 3.05 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 3gi8 h THR 137 CO 0.00 0.80 -0.30 0.00 0.37 0.00 0.00 175.52 176.39 3gi8 h ALA 138 N 0.13 0.93 0.00 6.16 0.00 -1.39 -3.08 119.26 122.01 3gi8 h ALA 138 Ca -0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3gi8 h ALA 138 Cb 2.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 3gi8 h ALA 138 CO 0.25 0.38 -0.14 1.25 0.00 0.00 0.00 179.25 180.99 3gi8 h LEU 139 N 0.00 0.00 -1.62 0.00 5.85 -1.34 -2.51 115.31 115.69 3gi8 h LEU 139 Ca -0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 3gi8 h LEU 139 Cb 0.94 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 3gi8 h LEU 139 CO 0.04 0.14 0.61 -1.13 -0.34 0.00 0.00 178.44 177.75 3gi8 h ASN 140 N 0.00 0.31 0.09 1.25 -1.24 -1.64 0.32 115.58 114.66 3gi8 h ASN 140 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3gi8 h ASN 140 Cb 0.29 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.31 3gi8 h ASN 140 CO 0.02 0.12 -0.23 0.49 -1.29 0.00 0.00 177.43 176.54 3gi8 n PHE 141 N -4.46 0.00 0.00 0.67 3.72 -0.94 -4.61 117.46 111.84 3gi8 n PHE 141 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3gi8 n PHE 141 Cb 0.76 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 3gi8 n PHE 141 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 3gi8 n PHE 142 N -0.07 0.00 -0.04 1.38 1.16 -1.02 -5.03 117.46 113.83 3gi8 n PHE 142 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.71 3gi8 n PHE 142 Cb 0.41 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 3gi8 n PHE 142 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3gi8 n GLY 143 N -0.18 0.46 0.33 4.97 0.00 0.35 -4.82 105.19 106.30 3gi8 n GLY 143 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3gi8 n GLY 143 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gi8 h SER 144 N 0.00 0.81 -0.28 1.61 4.64 -0.76 -1.08 113.55 118.48 3gi8 h SER 144 Ca 0.00 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 3gi8 h SER 144 Cb 0.02 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3gi8 h SER 144 CO 0.00 0.46 -0.53 0.11 -0.87 0.00 0.00 176.83 175.99 3gi8 h LYS 145 N 0.91 0.85 -0.46 4.77 1.57 -1.86 -2.74 116.57 119.62 3gi8 h LYS 145 Ca 0.44 -0.55 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 3gi8 h LYS 145 Cb 0.38 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3gi8 h LYS 145 CO -0.24 1.18 -0.25 0.00 -0.57 0.00 0.00 179.45 179.56 3gi8 h ALA 146 N 0.67 0.65 -0.47 3.86 0.00 -1.71 -2.27 119.26 120.00 3gi8 h ALA 146 Ca 0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3gi8 h ALA 146 Cb 1.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3gi8 h ALA 146 CO 0.12 0.67 -0.06 0.28 0.00 0.00 0.00 179.25 180.26 3gi8 h VAL 147 N 0.83 1.25 -0.15 0.00 2.07 -1.31 -2.92 116.25 116.03 3gi8 h VAL 147 Ca 0.10 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 3gi8 h VAL 147 Cb 0.84 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3gi8 h VAL 147 CO 0.07 0.39 -0.09 1.23 0.02 0.00 0.00 177.57 179.19 3gi8 h GLY 148 N 0.98 0.25 2.00 2.17 0.00 -1.26 -2.09 103.07 105.12 3gi8 h GLY 148 Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3gi8 h GLY 148 CO 0.03 0.13 -0.53 3.21 0.00 0.00 0.00 176.54 179.38 3gi8 h ARG 149 N 0.23 0.00 0.00 4.80 3.08 -1.23 -3.14 114.38 118.11 3gi8 h ARG 149 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3gi8 h ARG 149 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3gi8 h ARG 149 CO 0.02 0.53 -0.23 0.00 -1.07 0.00 0.00 179.97 179.22 3gi8 h ALA 150 N 1.47 0.88 -0.88 0.04 0.00 -1.25 -3.38 119.26 116.15 3gi8 h ALA 150 Ca -0.01 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.06 3gi8 h ALA 150 Cb 1.12 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 3gi8 h ALA 150 CO 0.07 0.10 0.23 0.93 0.00 0.00 0.00 179.25 180.57 3gi8 h GLU 151 N 0.00 0.19 -0.62 0.00 5.08 -1.35 0.33 114.58 118.21 3gi8 h GLU 151 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3gi8 h GLU 151 Cb 1.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3gi8 h GLU 151 CO 0.01 0.13 0.27 0.35 -1.00 0.00 0.00 179.01 178.76 3gi8 h PHE 152 N 0.20 0.92 -0.45 4.33 3.57 -1.80 -0.91 116.94 122.81 3gi8 h PHE 152 Ca 0.55 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.90 3gi8 h PHE 152 Cb 1.11 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3gi8 h PHE 152 CO -0.27 0.72 -0.06 0.35 -2.23 0.00 0.00 178.31 176.82 3gi8 h PHE 153 N 0.86 0.92 -0.51 0.41 3.57 -1.28 -3.02 116.94 117.89 3gi8 h PHE 153 Ca 0.21 -0.18 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3gi8 h PHE 153 Cb 0.17 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3gi8 h PHE 153 CO 0.01 0.91 0.12 0.82 -2.23 0.00 0.00 178.31 177.93 3gi8 h ILE 154 N 0.67 1.24 -0.60 1.41 2.04 -0.85 -2.03 117.51 119.38 3gi8 h ILE 154 Ca 0.12 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.13 3gi8 h ILE 154 Cb 0.58 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3gi8 h ILE 154 CO 0.03 0.31 0.38 0.58 0.00 0.00 0.00 178.15 179.46 3gi8 h VAL 155 N 0.71 1.10 -0.27 1.67 2.07 -1.19 0.10 116.25 120.43 3gi8 h VAL 155 Ca 0.16 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3gi8 h VAL 155 Cb 0.35 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3gi8 h VAL 155 CO 0.00 0.14 0.15 -0.07 0.02 0.00 0.00 177.57 177.81 3gi8 h LEU 156 N 0.76 0.34 -0.53 2.57 3.38 -1.39 0.72 115.31 121.17 3gi8 h LEU 156 Ca 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3gi8 h LEU 156 Cb -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3gi8 h LEU 156 CO -0.08 0.33 0.30 0.58 0.09 0.00 0.00 178.44 179.67 3gi8 h VAL 157 N 0.32 1.17 -0.43 1.22 2.07 -1.02 0.33 116.25 119.92 3gi8 h VAL 157 Ca 0.10 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3gi8 h VAL 157 Cb 0.07 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3gi8 h VAL 157 CO -0.02 0.18 0.11 0.00 0.02 0.00 0.00 177.57 177.87 3gi8 h ALA 158 N 1.14 1.40 -0.21 1.67 0.00 -0.64 -2.04 119.26 120.57 3gi8 h ALA 158 Ca 0.19 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3gi8 h ALA 158 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gi8 h ALA 158 CO -0.03 0.44 -0.66 -0.07 0.00 0.00 0.00 179.25 178.93 3gi8 h LEU 159 N 0.62 0.91 -0.95 0.00 3.38 -0.16 -3.00 115.31 116.12 3gi8 h LEU 159 Ca 0.14 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3gi8 h LEU 159 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3gi8 h LEU 159 CO -0.01 1.33 -0.06 -0.07 0.09 0.00 0.00 178.44 179.73 3gi8 h LEU 160 N 0.58 0.68 -0.53 1.67 3.38 -0.06 0.67 115.31 121.70 3gi8 h LEU 160 Ca -0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3gi8 h LEU 160 Cb 1.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3gi8 h LEU 160 CO 0.14 0.79 0.21 0.40 0.09 0.00 0.00 178.44 180.07 3gi8 h ILE 161 N 0.65 1.22 0.00 1.22 2.04 -1.44 -0.97 117.51 120.23 3gi8 h ILE 161 Ca 0.12 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 3gi8 h ILE 161 Cb 0.49 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3gi8 h ILE 161 CO 0.03 0.26 -0.42 -0.07 0.00 0.00 0.00 178.15 177.94 3gi8 h LEU 162 N 0.71 0.00 -0.97 1.44 3.38 -1.28 -1.39 115.31 117.20 3gi8 h LEU 162 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3gi8 h LEU 162 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3gi8 h LEU 162 CO -0.01 0.42 -0.34 1.23 0.09 0.00 0.00 178.44 179.83 3gi8 h GLY 163 N 1.85 0.00 1.14 0.83 0.00 0.79 -2.47 103.07 105.21 3gi8 h GLY 163 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3gi8 h GLY 163 CO 0.06 0.00 -0.94 -2.00 0.00 0.00 0.00 176.54 173.65 3gi8 h LEU 164 N 0.00 0.00 -0.89 3.11 5.85 -0.99 -3.23 115.31 119.16 3gi8 h LEU 164 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3gi8 h LEU 164 Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3gi8 h LEU 164 CO 0.04 0.12 -0.17 0.15 -0.34 0.00 0.00 178.44 178.24 3gi8 h PHE 165 N 0.00 0.00 0.00 1.25 3.57 -0.80 -2.43 116.94 118.53 3gi8 h PHE 165 Ca -0.03 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.19 3gi8 h PHE 165 Cb 1.12 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 3gi8 h PHE 165 CO 0.00 0.17 -1.69 -0.89 -2.23 0.00 0.00 178.31 173.67 3gi8 n ILE 166 N -3.26 1.52 -0.35 1.41 5.41 -1.05 -2.59 119.36 120.45 3gi8 n ILE 166 Ca 0.01 -0.13 0.04 0.00 1.00 0.00 0.00 62.75 63.67 3gi8 n ILE 166 Cb 0.45 -2.05 0.19 0.00 -0.71 0.00 0.00 39.64 37.52 3gi8 n ILE 166 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3gi8 h PHE 167 N -1.00 1.11 -0.53 1.39 -1.00 -1.67 -0.90 116.94 114.35 3gi8 h PHE 167 Ca -0.42 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.39 3gi8 h PHE 167 Cb 1.31 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 40.52 3gi8 h PHE 167 CO -0.08 0.51 0.00 0.00 -1.61 0.00 0.00 178.31 177.14 3gi8 n ALA 168 N -2.36 2.35 0.01 2.45 0.00 -0.91 -4.21 120.51 117.85 3gi8 n ALA 168 Ca 0.16 -1.15 0.07 0.00 0.00 0.00 0.00 53.44 52.51 3gi8 n ALA 168 Cb 0.25 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 3gi8 n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gi8 n GLY 169 N 1.33 -1.15 2.29 0.00 0.00 -0.46 -4.37 105.19 102.82 3gi8 n GLY 169 Ca 0.20 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3gi8 n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gi8 n LEU 170 N -2.53 6.70 0.00 0.99 4.77 -0.50 -4.55 117.00 121.88 3gi8 n LEU 170 Ca -0.08 -3.87 0.00 0.00 -0.03 0.00 0.00 56.01 52.03 3gi8 n LEU 170 Cb 0.68 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3gi8 n LEU 170 CO 0.44 1.52 0.00 -0.38 -1.33 0.00 0.00 177.39 177.63 3gi8 n ILE 171 N 0.36 0.00 -2.00 -0.08 2.08 -1.26 -4.88 119.36 113.58 3gi8 n ILE 171 Ca 0.44 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 63.33 3gi8 n ILE 171 Cb 0.55 -0.39 0.00 0.00 -0.75 0.00 0.00 39.64 39.05 3gi8 n ILE 171 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3gi8 n THR 172 N -0.67 3.93 -3.55 1.39 -2.24 -1.26 -4.95 114.28 106.93 3gi8 n THR 172 Ca 0.00 -3.67 -0.20 0.00 -2.27 0.00 0.00 64.05 57.91 3gi8 n THR 172 Cb 0.00 -2.48 -0.02 0.00 -2.10 0.00 0.00 70.33 65.73 3gi8 n THR 172 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3gi8 s ILE 173 N 1.75 3.53 -0.63 2.28 -4.36 -1.26 -4.78 121.20 117.73 3gi8 s ILE 173 Ca 0.44 -1.19 -0.02 0.00 -0.26 0.00 0.00 60.65 59.62 3gi8 s ILE 173 Cb 0.12 -3.21 0.16 0.00 1.25 0.00 0.00 42.46 40.78 3gi8 s ILE 173 CO -0.05 -0.12 0.44 -1.00 0.24 0.00 0.00 174.94 174.45 3gi8 s HIS 174 N -2.29 3.39 -1.11 1.37 3.76 -0.58 -4.95 115.29 114.88 3gi8 s HIS 174 Ca 0.45 -2.76 0.06 0.00 -0.15 0.00 0.00 55.06 52.66 3gi8 s HIS 174 Cb -0.07 -3.17 0.27 0.00 1.11 0.00 0.00 32.58 30.71 3gi8 s HIS 174 CO 0.29 -0.83 1.15 -2.30 -0.85 0.00 0.00 174.74 172.20 3gi8 n PRO 175 N 3.40 0.02 0.00 8.40 -0.02 -1.26 -0.38 135.00 145.16 3gi8 n PRO 175 Ca 0.08 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 3gi8 n PRO 175 Cb 0.37 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.68 3gi8 n PRO 175 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gi8 n SER 176 N -1.45 1.63 -0.00 2.55 3.41 -1.26 -3.91 113.62 114.59 3gi8 n SER 176 Ca 0.02 -1.36 0.07 0.00 -0.26 0.00 0.00 58.87 57.34 3gi8 n SER 176 Cb 0.06 0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 3gi8 n SER 176 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gi8 n TYR 177 N 0.02 0.00 0.79 7.33 9.36 0.48 -4.40 117.16 130.75 3gi8 n TYR 177 Ca 0.14 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.47 3gi8 n TYR 177 Cb 0.41 -0.08 -0.08 0.00 -0.63 0.00 0.00 39.34 38.96 3gi8 n TYR 177 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3gi8 n VAL 178 N -1.50 0.02 -1.66 2.97 0.31 -1.17 -4.74 118.33 112.56 3gi8 n VAL 178 Ca 0.02 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.81 3gi8 n VAL 178 Cb 0.27 0.69 -0.03 0.00 -0.91 0.00 0.00 33.84 33.86 3gi8 n VAL 178 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gi8 n ILE 179 N -1.67 0.73 -1.62 2.52 0.13 -1.25 -4.87 119.36 113.32 3gi8 n ILE 179 Ca 0.03 -0.13 -0.45 0.00 -1.10 0.00 0.00 62.75 61.09 3gi8 n ILE 179 Cb 0.38 -2.26 -0.04 0.00 -0.84 0.00 0.00 39.64 36.88 3gi8 n ILE 179 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 3gi8 n PRO 180 N 7.35 2.17 -1.98 9.51 -0.04 -1.26 -4.90 135.00 145.85 3gi8 n PRO 180 Ca 0.20 0.73 -0.43 0.00 -0.04 0.00 0.00 63.50 63.96 3gi8 n PRO 180 Cb 0.39 -2.89 -0.03 0.00 -0.04 0.00 0.00 33.50 30.93 3gi8 n PRO 180 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gi8 s ASP 181 N 5.82 5.96 0.00 3.54 -1.08 -1.26 -4.87 116.67 124.78 3gi8 s ASP 181 Ca 0.96 1.45 0.27 0.00 -0.52 0.00 0.00 52.55 54.70 3gi8 s ASP 181 Cb -0.54 -2.53 0.79 0.00 -1.46 0.00 0.00 42.92 39.19 3gi8 s ASP 181 CO 0.44 -1.63 1.59 0.18 0.52 0.00 0.00 175.17 176.27 3gi8 n LEU 182 N 9.99 0.86 -4.67 -1.34 4.77 -1.26 -4.59 117.00 120.76 3gi8 n LEU 182 Ca 0.23 -0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 3gi8 n LEU 182 Cb 0.46 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3gi8 n LEU 182 CO 0.68 0.16 1.11 0.00 -1.33 0.00 0.00 177.39 178.02 3gi8 s ALA 183 N -2.58 3.63 -1.61 -1.18 0.00 -1.26 -4.90 121.76 113.86 3gi8 s ALA 183 Ca 0.23 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3gi8 s ALA 183 Cb 0.19 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3gi8 s ALA 183 CO 0.54 -1.13 0.53 -2.30 0.00 0.00 0.00 175.76 173.40 3gi8 n PRO 184 N 6.39 0.00 0.00 0.00 -0.02 -1.26 -1.02 135.00 139.09 3gi8 n PRO 184 Ca 0.14 0.08 0.14 0.00 -2.02 0.00 0.00 63.50 61.84 3gi8 n PRO 184 Cb 0.45 -1.51 0.62 0.00 -0.02 0.00 0.00 33.50 33.03 3gi8 n PRO 184 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gi8 n SER 185 N -1.03 0.80 0.00 2.55 3.41 -1.26 -3.98 113.62 114.11 3gi8 n SER 185 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 3gi8 n SER 185 Cb 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gi8 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gi8 n ALA 186 N -0.54 0.00 0.05 7.33 0.00 -0.18 -4.88 120.51 122.29 3gi8 n ALA 186 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 3gi8 n ALA 186 Cb 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 3gi8 n ALA 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gi8 h VAL 187 N 0.67 1.46 -0.02 0.00 2.07 -1.60 -3.28 116.25 115.54 3gi8 h VAL 187 Ca 0.00 -2.45 0.01 0.00 0.82 0.00 0.00 66.70 65.08 3gi8 h VAL 187 Cb 0.33 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3gi8 h VAL 187 CO 0.00 0.70 0.02 0.77 0.02 0.00 0.00 177.57 179.08 3gi8 h SER 188 N -0.22 0.00 0.06 0.57 4.64 -1.88 -0.90 113.55 115.83 3gi8 h SER 188 Ca -0.14 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.10 3gi8 h SER 188 Cb 1.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 3gi8 h SER 188 CO 0.16 0.00 -0.23 1.23 -0.87 0.00 0.00 176.83 177.12 3gi8 h GLY 189 N 0.00 0.32 1.05 -0.77 0.00 -1.84 0.43 103.07 102.26 3gi8 h GLY 189 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3gi8 h GLY 189 CO -0.00 0.22 -0.03 1.98 0.00 0.00 0.00 176.54 178.71 3gi8 h MET 190 N 0.27 0.98 0.01 4.80 -1.53 -1.24 -0.18 114.93 118.04 3gi8 h MET 190 Ca 0.04 -0.33 -0.19 0.00 -3.44 0.00 0.00 59.70 55.79 3gi8 h MET 190 Cb 0.56 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.51 3gi8 h MET 190 CO 0.04 1.00 -0.88 0.82 0.14 0.00 0.00 176.91 178.02 3gi8 h ILE 191 N 0.85 1.57 -0.15 1.77 2.04 -1.33 -2.28 117.51 119.98 3gi8 h ILE 191 Ca 0.15 -2.82 -0.15 0.00 1.00 0.00 0.00 64.86 63.03 3gi8 h ILE 191 Cb 0.58 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3gi8 h ILE 191 CO 0.03 0.81 -0.55 -0.26 0.00 0.00 0.00 178.15 178.19 3gi8 h PHE 192 N 0.04 0.54 0.00 1.37 0.04 -0.85 -3.13 116.94 114.95 3gi8 h PHE 192 Ca -0.03 -0.19 -0.11 0.00 2.80 0.00 0.00 57.97 60.44 3gi8 h PHE 192 Cb 1.53 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.56 3gi8 h PHE 192 CO 0.01 0.89 -0.54 0.00 -0.60 0.00 0.00 178.31 178.07 3gi8 h ALA 193 N 1.07 0.88 0.00 2.45 0.00 -1.00 -2.96 119.26 119.70 3gi8 h ALA 193 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gi8 h ALA 193 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3gi8 h ALA 193 CO 0.10 0.68 0.00 0.66 0.00 0.00 0.00 179.25 180.68 3gi8 h SER 194 N 0.00 0.00 0.86 0.00 4.64 -1.36 0.16 113.55 117.85 3gi8 h SER 194 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 3gi8 h SER 194 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3gi8 h SER 194 CO 0.07 0.00 -0.87 0.00 -0.87 0.00 0.00 176.83 175.16 3gi8 h ALA 195 N 2.08 0.57 0.04 5.18 0.00 -1.51 -3.22 119.26 122.39 3gi8 h ALA 195 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 54.91 54.01 3gi8 h ALA 195 Cb 0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gi8 h ALA 195 CO 0.00 1.08 -0.57 0.82 0.00 0.00 0.00 179.25 180.58 3gi8 h ILE 196 N 0.00 1.48 0.00 0.00 2.04 -1.42 -3.35 117.51 116.26 3gi8 h ILE 196 Ca -0.01 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.50 3gi8 h ILE 196 Cb 1.53 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 40.65 3gi8 h ILE 196 CO 0.11 0.58 0.00 0.49 0.00 0.00 0.00 178.15 179.33 3gi8 n PHE 197 N -4.41 0.00 -0.09 1.37 3.01 0.49 -2.86 117.46 114.97 3gi8 n PHE 197 Ca -0.17 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.24 3gi8 n PHE 197 Cb 0.63 -0.04 0.14 0.00 -0.01 0.00 0.00 39.48 40.20 3gi8 n PHE 197 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3gi8 h PHE 198 N 0.19 0.83 0.00 1.38 -0.00 -1.69 -2.75 116.94 114.91 3gi8 h PHE 198 Ca 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.97 57.83 3gi8 h PHE 198 Cb 0.22 -0.22 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 3gi8 h PHE 198 CO 0.00 0.81 -0.00 1.37 -0.00 0.00 0.00 178.31 180.49 3gi8 h LEU 199 N 0.70 0.00 -1.40 0.59 8.10 -1.83 -2.37 115.31 119.11 3gi8 h LEU 199 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.12 3gi8 h LEU 199 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 3gi8 h LEU 199 CO 0.03 0.00 0.02 -1.20 -4.11 0.00 0.00 178.44 173.18 3gi8 n SER 200 N -3.16 0.54 -2.52 0.17 7.64 -1.04 -2.20 113.62 113.05 3gi8 n SER 200 Ca -0.03 0.75 -0.25 0.00 1.01 0.00 0.00 58.87 60.35 3gi8 n SER 200 Cb 0.08 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 3gi8 n SER 200 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3gi8 n TYR 201 N -2.24 3.17 0.80 1.43 4.01 -0.89 -4.71 117.16 118.72 3gi8 n TYR 201 Ca -0.01 -3.12 0.02 0.00 -0.16 0.00 0.00 57.90 54.63 3gi8 n TYR 201 Cb 0.05 -0.13 0.10 0.00 -0.31 0.00 0.00 39.34 39.05 3gi8 n TYR 201 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gi8 n MET 202 N -0.42 1.85 0.28 -0.72 0.00 -0.94 -4.34 117.12 112.83 3gi8 n MET 202 Ca 0.35 -0.80 0.19 0.00 0.00 0.00 0.00 57.70 57.44 3gi8 n MET 202 Cb 0.67 -1.51 1.00 0.00 0.00 0.00 0.00 33.22 33.37 3gi8 n MET 202 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3gi8 h GLY 203 N 5.03 0.00 0.75 3.17 0.00 -1.89 -2.84 103.07 107.29 3gi8 h GLY 203 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3gi8 h GLY 203 CO 0.09 0.00 0.61 0.74 0.00 0.00 0.00 176.54 177.97 3gi8 h PHE 204 N 0.00 1.08 0.36 5.60 0.04 -1.96 -3.09 116.94 118.97 3gi8 h PHE 204 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3gi8 h PHE 204 Cb 0.02 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 37.83 3gi8 h PHE 204 CO 0.00 0.53 -0.17 0.78 -0.60 0.00 0.00 178.31 178.85 3gi8 h GLY 205 N 1.03 -0.51 0.89 -1.45 0.00 -1.88 -2.14 103.07 99.01 3gi8 h GLY 205 Ca 0.42 0.19 0.10 0.00 0.00 0.00 0.00 47.33 48.04 3gi8 h GLY 205 CO -0.17 -0.18 0.49 -0.39 0.00 0.00 0.00 176.54 176.28 3gi8 h VAL 206 N -0.56 0.93 0.43 4.60 -1.51 -1.76 -1.51 116.25 116.87 3gi8 h VAL 206 Ca -0.05 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 3gi8 h VAL 206 Cb 0.37 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.78 3gi8 h VAL 206 CO 0.08 0.12 -0.21 0.40 -1.23 0.00 0.00 177.57 176.73 3gi8 h ILE 207 N 0.64 0.23 -0.12 7.19 2.04 -1.61 -3.15 117.51 122.73 3gi8 h ILE 207 Ca 0.34 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3gi8 h ILE 207 Cb 0.48 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3gi8 h ILE 207 CO -0.12 0.05 -0.13 0.71 0.00 0.00 0.00 178.15 178.66 3gi8 h THR 208 N -1.07 1.16 0.00 -0.27 1.35 -1.20 -0.22 112.91 112.65 3gi8 h THR 208 Ca -0.06 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3gi8 h THR 208 Cb 0.52 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3gi8 h THR 208 CO 0.10 0.22 0.00 0.59 -0.25 0.00 0.00 175.52 176.18 3gi8 n ASN 209 N -4.30 0.00 -0.05 5.36 3.02 -0.58 -2.89 115.26 115.81 3gi8 n ASN 209 Ca -0.01 -1.06 0.02 0.00 -0.03 0.00 0.00 54.58 53.50 3gi8 n ASN 209 Cb 0.25 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.45 3gi8 n ASN 209 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gi8 n ALA 210 N -0.97 1.85 -0.15 5.41 0.00 -0.19 -4.76 120.51 121.70 3gi8 n ALA 210 Ca 0.22 -1.22 0.02 0.00 0.00 0.00 0.00 53.44 52.46 3gi8 n ALA 210 Cb 0.10 -0.11 0.30 0.00 0.00 0.00 0.00 19.45 19.74 3gi8 n ALA 210 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gi8 h SER 211 N 0.00 0.74 1.34 0.00 4.64 -1.17 0.27 113.55 119.38 3gi8 h SER 211 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3gi8 h SER 211 Cb 0.77 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3gi8 h SER 211 CO 0.00 0.54 0.00 -0.33 -0.87 0.00 0.00 176.83 176.17 3gi8 h GLU 212 N 0.88 0.00 -0.77 4.77 5.08 -1.85 -2.96 114.58 119.73 3gi8 h GLU 212 Ca 0.24 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.38 3gi8 h GLU 212 Cb -0.08 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.03 3gi8 h GLU 212 CO -0.05 0.00 0.29 0.72 -1.00 0.00 0.00 179.01 178.96 3gi8 n HIS 213 N -2.33 2.50 -4.85 4.33 8.25 0.06 -4.92 115.22 118.26 3gi8 n HIS 213 Ca 0.05 -1.21 -0.27 0.00 -0.26 0.00 0.00 57.72 56.02 3gi8 n HIS 213 Cb 0.39 -0.70 -0.17 0.00 1.12 0.00 0.00 29.99 30.63 3gi8 n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gi8 s ILE 214 N -2.97 1.50 0.15 1.59 1.01 -1.08 0.13 121.20 121.54 3gi8 s ILE 214 Ca 0.55 -0.71 -0.34 0.00 0.00 0.00 0.00 60.65 60.15 3gi8 s ILE 214 Cb 0.44 -1.32 -0.14 0.00 0.01 0.00 0.00 42.46 41.44 3gi8 s ILE 214 CO 0.14 0.44 1.53 -0.62 0.00 0.00 0.00 174.94 176.42 3gi8 n GLU 215 N 3.55 1.98 -3.59 2.79 -0.58 0.51 -3.39 120.64 121.90 3gi8 n GLU 215 Ca -0.20 0.72 -0.20 0.00 -0.42 0.00 0.00 57.16 57.05 3gi8 n GLU 215 Cb 0.52 -2.46 0.01 0.00 -0.57 0.00 0.00 31.44 28.94 3gi8 n GLU 215 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3gi8 n ASN 216 N 3.20 -5.70 -0.19 1.62 5.15 -1.26 -4.50 115.26 113.58 3gi8 n ASN 216 Ca 0.17 -0.75 -0.07 0.00 -0.60 0.00 0.00 54.58 53.33 3gi8 n ASN 216 Cb 0.27 -2.91 0.02 0.00 -0.53 0.00 0.00 39.78 36.64 3gi8 n ASN 216 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gi8 h PRO 217 N -0.43 0.72 -0.34 1.20 0.13 -1.81 0.28 132.00 131.75 3gi8 h PRO 217 Ca -0.47 -0.06 0.10 0.00 -0.87 0.00 0.00 66.00 64.71 3gi8 h PRO 217 Cb 1.28 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3gi8 h PRO 217 CO 0.37 0.50 0.29 0.87 -0.23 0.00 0.00 178.00 179.81 3gi8 h LYS 218 N 0.73 0.00 0.00 0.86 1.57 -1.83 -0.85 116.57 117.05 3gi8 h LYS 218 Ca 0.20 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.62 3gi8 h LYS 218 Cb -0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 3gi8 h LYS 218 CO -0.04 0.00 -2.02 1.17 -0.57 0.00 0.00 179.45 177.99 3gi8 n LYS 219 N -4.13 0.57 0.15 3.15 4.81 -0.94 -4.33 118.16 117.43 3gi8 n LYS 219 Ca 0.05 0.35 0.12 0.00 -0.87 0.00 0.00 58.31 57.96 3gi8 n LYS 219 Cb 0.46 -1.56 0.15 0.00 0.02 0.00 0.00 35.03 34.10 3gi8 n LYS 219 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3gi8 h ASN 220 N -1.00 0.00 0.13 3.14 2.35 -0.28 -3.14 115.58 116.78 3gi8 h ASN 220 Ca -0.53 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.18 3gi8 h ASN 220 Cb 1.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.82 3gi8 h ASN 220 CO -0.32 0.02 -0.06 0.58 -1.65 0.00 0.00 177.43 175.99 3gi8 h VAL 221 N 0.00 1.03 -0.35 2.81 2.07 -1.35 -0.18 116.25 120.28 3gi8 h VAL 221 Ca 0.00 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.75 3gi8 h VAL 221 Cb 0.93 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3gi8 h VAL 221 CO 0.00 0.19 0.04 -0.65 0.02 0.00 0.00 177.57 177.17 3gi8 h PRO 222 N -0.58 0.14 -0.32 1.57 0.11 -1.76 -2.10 132.00 129.06 3gi8 h PRO 222 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3gi8 h PRO 222 Cb 0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3gi8 h PRO 222 CO 0.03 0.09 0.21 0.00 -0.21 0.00 0.00 178.00 178.12 3gi8 h ARG 223 N 0.15 0.41 -0.84 1.05 3.08 -1.56 -0.06 114.38 116.60 3gi8 h ARG 223 Ca 0.17 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.22 3gi8 h ARG 223 Cb 0.22 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3gi8 h ARG 223 CO -0.25 0.27 0.55 0.00 -1.07 0.00 0.00 179.97 179.46 3gi8 h ALA 224 N 1.12 1.08 -0.11 0.04 0.00 -0.93 0.19 119.26 120.65 3gi8 h ALA 224 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gi8 h ALA 224 Cb -0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3gi8 h ALA 224 CO -0.03 0.42 0.04 0.82 0.00 0.00 0.00 179.25 180.50 3gi8 h ILE 225 N 1.09 1.15 -0.21 0.00 2.04 -1.03 -0.59 117.51 119.96 3gi8 h ILE 225 Ca 0.32 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3gi8 h ILE 225 Cb -0.06 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3gi8 h ILE 225 CO -0.09 0.14 0.00 0.15 0.00 0.00 0.00 178.15 178.35 3gi8 h PHE 226 N 0.01 0.40 -0.64 1.37 3.57 -0.67 -2.51 116.94 118.47 3gi8 h PHE 226 Ca 0.04 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 3gi8 h PHE 226 Cb 0.18 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3gi8 h PHE 226 CO -0.01 0.55 0.06 0.82 -2.23 0.00 0.00 178.31 177.50 3gi8 h ILE 227 N 0.14 1.27 -0.43 1.41 2.04 -0.70 -2.93 117.51 118.31 3gi8 h ILE 227 Ca 0.06 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3gi8 h ILE 227 Cb 0.39 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3gi8 h ILE 227 CO 0.01 0.41 0.28 -1.28 0.00 0.00 0.00 178.15 177.56 3gi8 h SER 228 N 1.01 0.50 -0.58 1.72 0.87 -1.00 -1.64 113.55 114.43 3gi8 h SER 228 Ca 0.19 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3gi8 h SER 228 Cb 0.50 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3gi8 h SER 228 CO 0.02 0.38 0.12 0.40 -0.53 0.00 0.00 176.83 177.23 3gi8 h ILE 229 N 0.58 1.25 -0.02 2.23 2.04 -1.45 -2.85 117.51 119.29 3gi8 h ILE 229 Ca 0.16 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 3gi8 h ILE 229 Cb -0.04 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3gi8 h ILE 229 CO -0.03 0.34 -0.52 -0.07 0.00 0.00 0.00 178.15 177.87 3gi8 h LEU 230 N 0.85 0.05 0.37 1.44 3.38 -1.32 -2.17 115.31 117.91 3gi8 h LEU 230 Ca 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3gi8 h LEU 230 Cb 0.38 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3gi8 h LEU 230 CO 0.01 0.56 -0.18 0.40 0.09 0.00 0.00 178.44 179.32 3gi8 h ILE 231 N 0.04 0.40 0.00 1.22 2.04 -1.23 -3.16 117.51 116.82 3gi8 h ILE 231 Ca -0.00 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3gi8 h ILE 231 Cb 0.94 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3gi8 h ILE 231 CO 0.07 0.09 -0.11 -0.37 0.00 0.00 0.00 178.15 177.83 3gi8 h VAL 232 N -0.99 0.97 -0.76 1.67 -1.51 -1.54 -1.83 116.25 112.26 3gi8 h VAL 232 Ca -0.05 -0.39 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 3gi8 h VAL 232 Cb 0.52 1.22 -0.04 0.00 -2.13 0.00 0.00 31.29 30.86 3gi8 h VAL 232 CO 0.08 0.11 0.39 -0.03 -1.23 0.00 0.00 177.57 176.89 3gi8 h MET 233 N 0.00 1.09 -0.15 5.19 -1.53 -1.46 0.31 114.93 118.37 3gi8 h MET 233 Ca -0.00 -0.15 -0.15 0.00 -3.44 0.00 0.00 59.70 55.96 3gi8 h MET 233 Cb 0.21 -0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 3gi8 h MET 233 CO 0.01 0.83 -0.54 0.74 0.14 0.00 0.00 176.91 178.09 3gi8 h PHE 234 N 1.07 0.57 -0.16 1.39 0.04 -1.32 -3.01 116.94 115.51 3gi8 h PHE 234 Ca 0.27 -0.20 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 3gi8 h PHE 234 Cb 0.08 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3gi8 h PHE 234 CO 0.01 0.90 -0.29 0.28 -0.60 0.00 0.00 178.31 178.60 3gi8 h VAL 235 N 0.35 1.35 0.26 -0.55 2.07 -0.92 -2.47 116.25 116.35 3gi8 h VAL 235 Ca 0.01 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.99 3gi8 h VAL 235 Cb 1.06 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 3gi8 h VAL 235 CO 0.10 0.46 -0.25 1.88 0.02 0.00 0.00 177.57 179.77 3gi8 h TYR 236 N 0.12 -0.68 0.26 1.57 0.05 -0.46 -2.44 116.97 115.39 3gi8 h TYR 236 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3gi8 h TYR 236 Cb 0.88 0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.89 3gi8 h TYR 236 CO 0.10 -0.37 -0.13 0.28 -1.05 0.00 0.00 178.16 176.99 3gi8 h VAL 237 N -0.55 0.77 -0.59 -2.88 2.07 -1.61 0.17 116.25 113.63 3gi8 h VAL 237 Ca -0.01 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.47 3gi8 h VAL 237 Cb 0.50 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3gi8 h VAL 237 CO -0.05 0.03 0.40 1.23 0.02 0.00 0.00 177.57 179.21 3gi8 h GLY 238 N -0.43 0.49 1.21 2.17 0.00 -1.47 0.46 103.07 105.50 3gi8 h GLY 238 Ca -0.04 -0.14 -0.32 0.00 0.00 0.00 0.00 47.33 46.84 3gi8 h GLY 238 CO 0.06 0.08 -1.55 -2.08 0.00 0.00 0.00 176.54 173.05 3gi8 h VAL 239 N 0.33 1.16 -0.45 4.60 2.07 -1.28 -3.27 116.25 119.42 3gi8 h VAL 239 Ca 0.28 -2.74 0.01 0.00 0.82 0.00 0.00 66.70 65.06 3gi8 h VAL 239 Cb 0.65 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 3gi8 h VAL 239 CO -0.07 0.83 0.30 0.00 0.02 0.00 0.00 177.57 178.65 3gi8 h ALA 240 N 0.36 0.57 -0.21 1.67 0.00 0.56 -0.55 119.26 121.66 3gi8 h ALA 240 Ca -0.26 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3gi8 h ALA 240 Cb 2.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 3gi8 h ALA 240 CO 0.19 0.02 0.03 0.82 0.00 0.00 0.00 179.25 180.31 3gi8 h ILE 241 N 0.61 0.90 -0.56 0.00 2.04 -1.11 -2.73 117.51 116.66 3gi8 h ILE 241 Ca 0.17 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3gi8 h ILE 241 Cb -0.07 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3gi8 h ILE 241 CO -0.04 0.02 0.25 -1.28 0.00 0.00 0.00 178.15 177.10 3gi8 h SER 242 N 0.11 0.75 -0.49 1.72 0.87 -1.54 -1.93 113.55 113.04 3gi8 h SER 242 Ca 0.09 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 3gi8 h SER 242 Cb 0.10 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3gi8 h SER 242 CO -0.13 0.69 -0.09 0.00 -0.53 0.00 0.00 176.83 176.77 3gi8 h ALA 243 N 1.09 0.85 0.01 6.23 0.00 -1.01 -2.48 119.26 123.96 3gi8 h ALA 243 Ca 0.19 -0.33 -0.26 0.00 0.00 0.00 0.00 54.91 54.50 3gi8 h ALA 243 Cb 0.16 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.77 3gi8 h ALA 243 CO -0.02 0.65 -1.04 0.82 0.00 0.00 0.00 179.25 179.66 3gi8 h ILE 244 N 0.86 1.31 0.00 0.00 1.08 -1.49 -3.20 117.51 116.07 3gi8 h ILE 244 Ca 0.14 -2.33 -0.04 0.00 -0.39 0.00 0.00 64.86 62.24 3gi8 h ILE 244 Cb 0.63 2.43 -0.01 0.00 -3.07 0.00 0.00 36.82 36.80 3gi8 h ILE 244 CO 0.04 0.71 -0.18 1.23 -0.69 0.00 0.00 178.15 179.27 3gi8 h GLY 245 N 0.64 0.00 0.00 5.37 0.00 -1.23 -3.20 103.07 104.65 3gi8 h GLY 245 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3gi8 h GLY 245 CO 0.20 0.00 -0.81 -2.01 0.00 0.00 0.00 176.54 173.92 3gi8 n ASN 246 N -3.68 0.79 -3.88 0.19 5.15 -0.94 -1.53 115.26 111.36 3gi8 n ASN 246 Ca -0.01 -0.86 -0.16 0.00 -0.60 0.00 0.00 54.58 52.94 3gi8 n ASN 246 Cb 0.30 1.02 -0.15 0.00 -0.53 0.00 0.00 39.78 40.42 3gi8 n ASN 246 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3gi8 s LEU 247 N -2.82 1.61 0.36 1.20 2.96 -1.21 -4.92 118.68 115.86 3gi8 s LEU 247 Ca 0.06 -0.05 -0.28 0.00 -0.22 0.00 0.00 54.13 53.64 3gi8 s LEU 247 Cb 0.12 -0.20 -0.12 0.00 0.50 0.00 0.00 46.19 46.49 3gi8 s LEU 247 CO 0.68 -0.03 1.38 -0.81 -1.32 0.00 0.00 176.35 176.26 3gi8 n PRO 248 N 3.54 2.38 0.24 0.98 -0.04 -1.26 -4.69 135.00 136.15 3gi8 n PRO 248 Ca -0.20 0.84 0.08 0.00 -0.04 0.00 0.00 63.50 64.18 3gi8 n PRO 248 Cb 0.55 -2.50 0.59 0.00 -0.04 0.00 0.00 33.50 32.11 3gi8 n PRO 248 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3gi8 h ILE 249 N 2.72 0.89 -0.01 0.52 6.09 -1.97 -2.27 117.51 123.48 3gi8 h ILE 249 Ca -0.48 -0.63 -0.13 0.00 -1.37 0.00 0.00 64.86 62.24 3gi8 h ILE 249 Cb 1.26 1.37 -0.02 0.00 0.47 0.00 0.00 36.82 39.90 3gi8 h ILE 249 CO 0.63 0.17 -0.61 -2.24 -3.07 0.00 0.00 178.15 173.03 3gi8 h ASP 250 N 0.00 0.04 1.20 2.19 2.03 -1.97 -2.70 116.42 117.21 3gi8 h ASP 250 Ca -0.00 -0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.25 3gi8 h ASP 250 Cb 0.35 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 38.84 3gi8 h ASP 250 CO 0.02 0.64 -0.10 -0.33 -1.03 0.00 0.00 179.24 178.44 3gi8 h GLU 251 N 0.03 0.00 0.05 4.15 5.08 -1.79 -3.21 114.58 118.89 3gi8 h GLU 251 Ca -0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 3gi8 h GLU 251 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3gi8 h GLU 251 CO 0.08 0.10 -1.24 -0.07 -1.00 0.00 0.00 179.01 176.88 3gi8 h LEU 252 N 0.00 0.17 -0.36 1.33 3.38 -1.40 -2.91 115.31 115.52 3gi8 h LEU 252 Ca -0.00 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 3gi8 h LEU 252 Cb 0.72 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3gi8 h LEU 252 CO 0.01 1.16 -0.26 0.40 0.09 0.00 0.00 178.44 179.85 3gi8 h ILE 253 N 0.03 1.29 0.00 1.22 2.04 -1.52 -2.97 117.51 117.60 3gi8 h ILE 253 Ca -0.11 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3gi8 h ILE 253 Cb 1.89 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3gi8 h ILE 253 CO 0.15 0.47 0.00 0.07 0.00 0.00 0.00 178.15 178.83 3gi8 h LYS 254 N 0.59 0.00 -1.83 2.37 2.10 -1.67 -3.06 116.57 115.07 3gi8 h LYS 254 Ca 0.07 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 58.01 3gi8 h LYS 254 Cb 0.83 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 31.84 3gi8 h LYS 254 CO 0.07 0.00 0.49 0.00 -2.00 0.00 0.00 179.45 178.01 3gi8 n ALA 255 N -2.04 6.06 0.34 0.07 0.00 -1.10 -4.74 120.51 119.10 3gi8 n ALA 255 Ca 0.02 -4.18 0.15 0.00 0.00 0.00 0.00 53.44 49.43 3gi8 n ALA 255 Cb 0.38 -1.53 0.56 0.00 0.00 0.00 0.00 19.45 18.87 3gi8 n ALA 255 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gi8 h SER 256 N 2.85 0.00 0.09 0.00 0.87 -1.46 -3.00 113.55 112.91 3gi8 h SER 256 Ca 0.48 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.89 3gi8 h SER 256 Cb 0.32 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3gi8 h SER 256 CO 1.25 0.00 -0.64 -0.33 -0.53 0.00 0.00 176.83 176.58 3gi8 h GLU 257 N 0.00 0.27 -3.77 2.24 3.07 -1.87 -3.37 114.58 111.15 3gi8 h GLU 257 Ca 0.00 -0.42 -0.60 0.00 -0.50 0.00 0.00 59.36 57.84 3gi8 h GLU 257 Cb 0.51 0.15 -0.40 0.00 -0.84 0.00 0.00 28.75 28.17 3gi8 h GLU 257 CO 0.00 1.17 -0.74 0.54 -1.40 0.00 0.00 179.01 178.58 3gi8 s ASN 258 N -6.80 4.17 0.02 1.42 4.22 -1.16 -4.23 114.94 112.60 3gi8 s ASN 258 Ca -0.14 -1.88 -0.14 0.00 -2.14 0.00 0.00 52.86 48.55 3gi8 s ASN 258 Cb 0.01 -1.07 -0.35 0.00 1.28 0.00 0.00 41.25 41.12 3gi8 s ASN 258 CO 0.81 -0.39 0.97 0.00 -2.04 0.00 0.00 177.10 176.45 3gi8 h ALA 259 N 7.82 -0.11 0.00 3.54 0.00 -1.79 -3.35 119.26 125.36 3gi8 h ALA 259 Ca -0.10 -0.90 -0.10 0.00 0.00 0.00 0.00 54.91 53.81 3gi8 h ALA 259 Cb 1.01 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3gi8 h ALA 259 CO 0.49 0.75 -1.54 1.28 0.00 0.00 0.00 179.25 180.23 3gi8 n LEU 260 N -3.69 0.56 -0.07 0.00 4.77 -1.26 -3.33 117.00 113.98 3gi8 n LEU 260 Ca -0.17 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 3gi8 n LEU 260 Cb 1.10 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 42.21 3gi8 n LEU 260 CO 0.59 0.05 0.81 0.00 -1.33 0.00 0.00 177.39 177.51 3gi8 h ALA 261 N 1.68 0.28 0.00 -1.18 0.00 -1.93 -2.35 119.26 115.76 3gi8 h ALA 261 Ca -0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3gi8 h ALA 261 Cb 1.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3gi8 h ALA 261 CO 0.02 -0.07 -0.48 0.28 0.00 0.00 0.00 179.25 179.00 3gi8 h VAL 262 N 0.15 1.20 0.00 0.00 2.07 -1.73 -3.08 116.25 114.85 3gi8 h VAL 262 Ca 0.07 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 3gi8 h VAL 262 Cb 0.29 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3gi8 h VAL 262 CO 0.00 0.47 -0.10 0.00 0.02 0.00 0.00 177.57 177.96 3gi8 h ALA 263 N 1.52 1.06 0.00 1.67 0.00 -1.49 -2.98 119.26 119.05 3gi8 h ALA 263 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3gi8 h ALA 263 Cb 0.93 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3gi8 h ALA 263 CO 0.06 0.13 -0.84 0.00 0.00 0.00 0.00 179.25 178.59 3gi8 h ALA 264 N 1.90 0.67 -0.37 0.00 0.00 -1.34 -3.39 119.26 116.74 3gi8 h ALA 264 Ca -0.00 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.46 3gi8 h ALA 264 Cb 0.51 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3gi8 h ALA 264 CO 0.01 0.61 0.08 0.87 0.00 0.00 0.00 179.25 180.82 3gi8 h LYS 265 N 0.00 0.20 -0.43 0.00 1.57 -1.60 0.15 116.57 116.46 3gi8 h LYS 265 Ca -0.06 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3gi8 h LYS 265 Cb 1.38 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 3gi8 h LYS 265 CO 0.05 0.13 -0.01 -1.35 -0.57 0.00 0.00 179.45 177.70 3gi8 h PRO 266 N 0.20 0.71 -0.24 3.15 0.11 -1.76 -1.22 132.00 132.95 3gi8 h PRO 266 Ca 0.18 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3gi8 h PRO 266 Cb 0.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3gi8 h PRO 266 CO -0.23 0.73 0.00 1.97 -0.21 0.00 0.00 178.00 180.26 3gi8 n PHE 267 N -4.23 0.31 -0.51 0.65 -1.74 -1.15 -4.63 117.46 106.16 3gi8 n PHE 267 Ca 0.02 -0.41 0.00 0.00 -0.56 0.00 0.00 57.45 56.51 3gi8 n PHE 267 Cb 0.29 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.26 3gi8 n PHE 267 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3gi8 n LEU 268 N 0.38 0.00 0.00 5.98 4.77 0.03 -5.09 117.00 123.07 3gi8 n LEU 268 Ca 0.09 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 3gi8 n LEU 268 Cb 0.36 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3gi8 n LEU 268 CO 0.06 0.02 -0.01 0.61 -1.33 0.00 0.00 177.39 176.74 3gi8 n GLY 269 N 0.00 -1.97 0.22 -0.72 0.00 -0.46 -2.50 105.19 99.76 3gi8 n GLY 269 Ca 0.00 -1.38 0.15 0.00 0.00 0.00 0.00 46.02 44.79 3gi8 n GLY 269 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gi8 h ASN 270 N -0.05 0.00 -0.06 1.61 2.35 -1.90 -0.38 115.58 117.15 3gi8 h ASN 270 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 3gi8 h ASN 270 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3gi8 h ASN 270 CO 0.00 0.00 -0.73 -0.07 -1.65 0.00 0.00 177.43 174.98 3gi8 h LEU 271 N 0.00 0.83 -0.64 1.61 3.38 -1.98 -0.47 115.31 118.04 3gi8 h LEU 271 Ca 0.00 -0.52 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 3gi8 h LEU 271 Cb 0.60 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3gi8 h LEU 271 CO 0.00 1.31 -0.58 1.23 0.09 0.00 0.00 178.44 180.49 3gi8 h GLY 272 N 0.77 0.00 1.87 0.83 0.00 -1.18 -2.47 103.07 102.90 3gi8 h GLY 272 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 3gi8 h GLY 272 CO 0.15 0.00 -0.60 -2.75 0.00 0.00 0.00 176.54 173.34 3gi8 h PHE 273 N 0.00 0.17 -0.34 5.60 3.57 -1.03 -2.93 116.94 121.98 3gi8 h PHE 273 Ca -0.01 -0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.29 3gi8 h PHE 273 Cb 1.15 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 3gi8 h PHE 273 CO 0.00 0.69 -0.35 1.25 -2.23 0.00 0.00 178.31 177.67 3gi8 h LEU 274 N 0.10 0.89 -0.93 0.59 5.85 -0.91 -2.76 115.31 118.14 3gi8 h LEU 274 Ca -0.01 -0.47 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 3gi8 h LEU 274 Cb 1.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3gi8 h LEU 274 CO 0.09 1.18 0.07 0.25 -0.34 0.00 0.00 178.44 179.69 3gi8 h LEU 275 N 0.62 0.81 -0.05 2.25 5.85 -1.42 -2.19 115.31 121.17 3gi8 h LEU 275 Ca 0.05 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3gi8 h LEU 275 Cb 0.94 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 3gi8 h LEU 275 CO 0.09 0.83 -0.06 0.40 -0.34 0.00 0.00 178.44 179.36 3gi8 h ILE 276 N 0.81 1.38 -0.60 4.05 1.08 -1.55 -2.57 117.51 120.11 3gi8 h ILE 276 Ca 0.17 -1.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.36 3gi8 h ILE 276 Cb 0.39 2.09 -0.03 0.00 -3.07 0.00 0.00 36.82 36.20 3gi8 h ILE 276 CO 0.01 0.34 0.23 0.28 -0.69 0.00 0.00 178.15 178.32 3gi8 h SER 277 N -0.32 0.81 0.26 1.72 0.02 -1.42 -0.78 113.55 113.83 3gi8 h SER 277 Ca 0.01 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3gi8 h SER 277 Cb 0.58 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3gi8 h SER 277 CO 0.01 0.73 -0.12 0.40 -1.14 0.00 0.00 176.83 176.72 3gi8 h ILE 278 N 0.87 0.75 0.00 3.27 1.08 -1.47 -3.17 117.51 118.83 3gi8 h ILE 278 Ca 0.20 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3gi8 h ILE 278 Cb 0.19 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 3gi8 h ILE 278 CO -0.02 0.14 0.00 0.61 -0.69 0.00 0.00 178.15 178.20 3gi8 n GLY 279 N -0.08 -0.86 0.11 5.37 0.00 -0.97 -2.73 105.19 106.03 3gi8 n GLY 279 Ca -0.09 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 3gi8 n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi8 h ALA 280 N 2.23 -0.16 -0.71 4.61 0.00 -1.12 -3.03 119.26 121.09 3gi8 h ALA 280 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3gi8 h ALA 280 Cb 0.15 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3gi8 h ALA 280 CO 0.00 -0.18 0.36 -0.07 0.00 0.00 0.00 179.25 179.36 3gi8 h LEU 281 N -0.97 0.49 -1.04 0.00 3.38 -1.49 -0.59 115.31 115.09 3gi8 h LEU 281 Ca -0.02 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3gi8 h LEU 281 Cb 0.44 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3gi8 h LEU 281 CO 0.03 0.29 0.65 -0.26 0.09 0.00 0.00 178.44 179.23 3gi8 h PHE 282 N 0.63 1.22 -0.09 1.13 0.05 -1.67 0.69 116.94 118.89 3gi8 h PHE 282 Ca 0.34 0.03 -0.17 0.00 3.82 0.00 0.00 57.97 61.99 3gi8 h PHE 282 Cb 0.33 -0.41 -0.01 0.00 2.00 0.00 0.00 35.95 37.86 3gi8 h PHE 282 CO -0.10 0.74 -0.67 1.03 -0.18 0.00 0.00 178.31 179.13 3gi8 h SER 283 N 1.29 0.45 0.80 2.17 0.87 -1.10 -2.45 113.55 115.58 3gi8 h SER 283 Ca 0.37 -0.28 -0.24 0.00 -1.23 0.00 0.00 61.79 60.41 3gi8 h SER 283 Cb -0.09 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3gi8 h SER 283 CO -0.10 0.99 -1.18 0.40 -0.53 0.00 0.00 176.83 176.42 3gi8 h ILE 284 N 0.28 1.53 -0.27 2.23 2.04 -0.91 -2.67 117.51 119.75 3gi8 h ILE 284 Ca -0.02 -3.20 -0.06 0.00 1.00 0.00 0.00 64.86 62.58 3gi8 h ILE 284 Cb 1.22 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 40.13 3gi8 h ILE 284 CO 0.11 0.90 -0.07 0.28 0.00 0.00 0.00 178.15 179.37 3gi8 h SER 285 N 0.03 0.53 0.44 1.72 0.02 -0.89 -1.98 113.55 113.42 3gi8 h SER 285 Ca -0.09 -0.37 -0.12 0.00 -0.84 0.00 0.00 61.79 60.37 3gi8 h SER 285 Cb 1.87 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 3gi8 h SER 285 CO 0.15 0.78 -0.51 0.77 -1.14 0.00 0.00 176.83 176.88 3gi8 h SER 286 N 0.28 0.09 -0.17 3.07 4.64 -1.53 -0.31 113.55 119.62 3gi8 h SER 286 Ca 0.07 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 3gi8 h SER 286 Cb 0.55 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3gi8 h SER 286 CO 0.03 0.59 -0.33 0.00 -0.87 0.00 0.00 176.83 176.25 3gi8 h ALA 287 N 1.41 0.84 -0.00 5.18 0.00 -1.44 -2.31 119.26 122.93 3gi8 h ALA 287 Ca -0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 3gi8 h ALA 287 Cb 0.93 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.62 3gi8 h ALA 287 CO 0.07 0.64 -0.88 1.98 0.00 0.00 0.00 179.25 181.06 3gi8 h MET 288 N 0.57 0.60 -0.85 0.00 -1.53 -1.14 -2.05 114.93 110.53 3gi8 h MET 288 Ca 0.06 -0.64 0.11 0.00 -3.44 0.00 0.00 59.70 55.79 3gi8 h MET 288 Cb 0.85 0.18 -0.06 0.00 -0.55 0.00 0.00 31.60 32.02 3gi8 h MET 288 CO 0.07 1.25 0.55 -0.97 0.14 0.00 0.00 176.91 177.95 3gi8 h ASN 289 N 0.21 0.69 -0.16 1.39 -0.00 -1.07 0.62 115.58 117.26 3gi8 h ASN 289 Ca -0.11 0.03 -0.17 0.00 -0.00 0.00 0.00 56.30 56.04 3gi8 h ASN 289 Cb 1.56 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 39.76 3gi8 h ASN 289 CO 0.17 0.39 -0.53 0.00 -0.00 0.00 0.00 177.43 177.47 3gi8 h ALA 290 N 1.59 0.59 -0.05 1.57 0.00 -1.36 -1.72 119.26 119.87 3gi8 h ALA 290 Ca 0.40 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3gi8 h ALA 290 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gi8 h ALA 290 CO -0.17 0.68 -0.08 1.15 0.00 0.00 0.00 179.25 180.83 3gi8 h THR 291 N 0.58 1.41 0.23 0.00 2.02 -0.46 -3.22 112.91 113.46 3gi8 h THR 291 Ca 0.02 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 3gi8 h THR 291 Cb 1.10 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 3gi8 h THR 291 CO 0.11 0.37 -0.11 0.40 0.37 0.00 0.00 175.52 176.66 3gi8 h ILE 292 N -0.34 0.83 -3.65 3.11 2.04 -1.05 0.39 117.51 118.84 3gi8 h ILE 292 Ca 0.00 -0.76 -0.79 0.00 1.00 0.00 0.00 64.86 64.31 3gi8 h ILE 292 Cb 0.63 1.24 -0.28 0.00 -0.74 0.00 0.00 36.82 37.67 3gi8 h ILE 292 CO 0.02 0.16 0.25 -0.31 0.00 0.00 0.00 178.15 178.27 3gi8 s TYR 293 N -4.39 4.03 0.00 1.37 2.02 -0.65 -2.02 117.35 117.72 3gi8 s TYR 293 Ca -0.14 -2.46 0.00 0.00 -0.37 0.00 0.00 57.07 54.10 3gi8 s TYR 293 Cb 0.02 -3.77 0.00 0.00 -0.40 0.00 0.00 41.96 37.81 3gi8 s TYR 293 CO 0.55 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.99 3gi8 n GLY 294 N 3.16 1.25 0.92 0.71 0.00 -1.14 -4.51 105.19 105.58 3gi8 n GLY 294 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 3gi8 n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi8 n GLY 295 N 0.00 -0.06 0.19 -0.02 0.00 -1.09 -4.56 105.19 99.64 3gi8 n GLY 295 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3gi8 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi8 h ALA 296 N -0.15 0.54 -0.98 4.61 0.00 -0.20 0.23 119.26 123.31 3gi8 h ALA 296 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3gi8 h ALA 296 Cb 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3gi8 h ALA 296 CO 0.00 0.04 0.65 -2.95 0.00 0.00 0.00 179.25 176.99 3gi8 h ASN 297 N 0.56 1.08 -0.10 0.00 -1.07 -1.65 0.13 115.58 114.54 3gi8 h ASN 297 Ca 0.15 -0.01 -0.11 0.00 0.07 0.00 0.00 56.30 56.40 3gi8 h ASN 297 Cb 0.01 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 36.01 3gi8 h ASN 297 CO -0.03 0.75 -0.38 0.58 0.07 0.00 0.00 177.43 178.42 3gi8 h VAL 298 N 1.26 1.39 -0.77 6.14 2.07 -1.72 -2.82 116.25 121.79 3gi8 h VAL 298 Ca 0.39 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 3gi8 h VAL 298 Cb -0.02 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3gi8 h VAL 298 CO -0.11 0.51 0.30 0.00 0.02 0.00 0.00 177.57 178.29 3gi8 h ALA 299 N 0.47 1.00 -0.12 1.67 0.00 -0.33 -2.50 119.26 119.45 3gi8 h ALA 299 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3gi8 h ALA 299 Cb 1.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3gi8 h ALA 299 CO 0.08 0.63 -0.01 -0.92 0.00 0.00 0.00 179.25 179.03 3gi8 h TYR 300 N 1.12 0.24 -0.80 0.00 3.20 -0.82 -2.30 116.97 117.62 3gi8 h TYR 300 Ca 0.26 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3gi8 h TYR 300 Cb 0.22 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3gi8 h TYR 300 CO 0.02 0.48 0.45 0.77 -1.64 0.00 0.00 178.16 178.24 3gi8 h SER 301 N -0.06 0.99 -0.11 -2.11 0.02 -1.43 -0.28 113.55 110.57 3gi8 h SER 301 Ca 0.03 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3gi8 h SER 301 Cb 0.39 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3gi8 h SER 301 CO 0.01 0.79 -0.21 0.25 -1.14 0.00 0.00 176.83 176.53 3gi8 h LEU 302 N 1.12 0.38 -0.55 5.07 5.85 -1.48 0.09 115.31 125.79 3gi8 h LEU 302 Ca 0.28 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.47 3gi8 h LEU 302 Cb 0.01 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3gi8 h LEU 302 CO -0.05 0.86 0.34 0.00 -0.34 0.00 0.00 178.44 179.25 3gi8 h ALA 303 N 0.53 0.70 0.11 1.25 0.00 -1.25 0.13 119.26 120.74 3gi8 h ALA 303 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gi8 h ALA 303 Cb 0.79 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gi8 h ALA 303 CO 0.05 0.07 -0.06 -0.22 0.00 0.00 0.00 179.25 179.09 3gi8 h LYS 304 N 0.68 -0.15 0.00 0.00 3.64 -1.07 -3.38 116.57 116.29 3gi8 h LYS 304 Ca 0.21 0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.34 3gi8 h LYS 304 Cb -0.01 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3gi8 h LYS 304 CO -0.08 0.25 -1.58 -0.44 -2.27 0.00 0.00 179.45 175.33 3gi8 h ASP 305 N -0.59 0.00 0.00 4.20 3.32 -0.96 -3.49 116.42 118.91 3gi8 h ASP 305 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3gi8 h ASP 305 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3gi8 h ASP 305 CO 0.03 0.92 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 3gi8 n GLY 306 N 1.51 1.86 0.97 2.75 0.00 0.46 -4.79 105.19 107.94 3gi8 n GLY 306 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 3gi8 n GLY 306 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gi8 n GLU 307 N -2.00 0.13 -4.15 1.61 0.00 -1.26 -4.39 120.64 110.58 3gi8 n GLU 307 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 57.16 55.99 3gi8 n GLU 307 Cb 0.00 0.83 -0.12 0.00 0.00 0.00 0.00 31.44 32.15 3gi8 n GLU 307 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3gi8 s LEU 308 N 0.00 2.30 0.56 -1.84 1.43 -1.26 -3.98 118.68 115.89 3gi8 s LEU 308 Ca 0.12 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.36 3gi8 s LEU 308 Cb 0.01 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 3gi8 s LEU 308 CO 0.09 -0.13 1.34 -2.84 0.23 0.00 0.00 176.35 175.03 3gi8 s PRO 309 N -1.92 3.07 0.20 1.29 0.02 -1.26 -4.93 135.00 131.47 3gi8 s PRO 309 Ca -0.02 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3gi8 s PRO 309 Cb -0.09 -2.20 0.13 0.00 0.02 0.00 0.00 34.50 32.37 3gi8 s PRO 309 CO 0.02 -1.23 1.49 1.49 -0.33 0.00 0.00 177.00 178.43 3gi8 h GLU 310 N 1.34 0.36 -4.09 5.54 4.81 -2.01 -3.42 114.58 117.11 3gi8 h GLU 310 Ca -0.51 -0.27 -0.58 0.00 -0.13 0.00 0.00 59.36 57.87 3gi8 h GLU 310 Cb 1.30 0.05 -0.39 0.00 0.63 0.00 0.00 28.75 30.35 3gi8 h GLU 310 CO 0.57 0.90 -0.78 -0.06 -0.73 0.00 0.00 179.01 178.90 3gi8 s PHE 311 N -3.72 1.92 0.06 0.92 0.08 -1.26 -4.88 117.98 111.10 3gi8 s PHE 311 Ca -0.05 -1.43 -0.13 0.00 0.12 0.00 0.00 56.93 55.43 3gi8 s PHE 311 Cb 0.11 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 41.19 3gi8 s PHE 311 CO 0.82 -0.71 0.30 -0.59 -0.10 0.00 0.00 175.22 174.94 3gi8 s PHE 312 N 1.56 -0.08 -0.19 0.36 -0.12 -1.26 -5.11 117.98 113.13 3gi8 s PHE 312 Ca -0.04 -0.11 -0.28 0.00 -0.05 0.00 0.00 56.93 56.45 3gi8 s PHE 312 Cb -0.18 0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.30 3gi8 s PHE 312 CO -0.07 -0.52 0.97 -2.00 -0.05 0.00 0.00 175.22 173.55 3gi8 s GLU 313 N -2.82 4.30 0.28 1.99 2.56 -1.26 -4.90 118.70 118.85 3gi8 s GLU 313 Ca -0.03 1.26 0.02 0.00 0.00 0.00 0.00 54.97 56.21 3gi8 s GLU 313 Cb 0.00 -3.61 0.41 0.00 2.00 0.00 0.00 34.13 32.93 3gi8 s GLU 313 CO -0.05 -0.49 1.73 0.00 -0.56 0.00 0.00 175.26 175.90 3gi8 h ARG 314 N 7.37 0.54 -0.70 4.30 3.08 -1.95 -3.32 114.38 123.70 3gi8 h ARG 314 Ca -0.24 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.57 3gi8 h ARG 314 Cb 1.10 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3gi8 h ARG 314 CO 0.91 0.71 0.07 1.63 -1.07 0.00 0.00 179.97 182.22 3gi8 n LYS 315 N -4.15 3.95 -4.21 0.04 4.76 -1.26 -2.88 118.16 114.42 3gi8 n LYS 315 Ca 0.00 -2.58 -0.12 0.00 -2.87 0.00 0.00 58.31 52.75 3gi8 n LYS 315 Cb 0.38 -2.11 -0.10 0.00 -1.84 0.00 0.00 35.03 31.36 3gi8 n LYS 315 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3gi8 s VAL 316 N -2.48 0.43 -0.92 -0.18 -7.23 -1.25 -3.60 120.40 105.17 3gi8 s VAL 316 Ca 0.45 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 58.43 3gi8 s VAL 316 Cb 0.35 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 35.20 3gi8 s VAL 316 CO 0.13 -0.46 1.60 0.86 -0.31 0.00 0.00 175.10 176.92 3gi8 s TRP 317 N -3.82 2.24 -0.82 2.82 -0.11 -1.26 -4.82 118.94 113.17 3gi8 s TRP 317 Ca 0.24 -0.22 0.26 0.00 1.22 0.00 0.00 56.10 57.61 3gi8 s TRP 317 Cb 0.07 -4.47 0.96 0.00 -1.50 0.00 0.00 33.47 28.53 3gi8 s TRP 317 CO 0.03 -1.93 1.80 1.97 -4.62 0.00 0.00 176.95 174.21 3gi8 n PHE 318 N 10.64 0.55 -3.60 5.86 1.16 -1.26 -4.82 117.46 125.99 3gi8 n PHE 318 Ca 0.30 0.17 -0.16 0.00 -1.87 0.00 0.00 57.45 55.89 3gi8 n PHE 318 Cb 0.50 -0.77 -0.07 0.00 -1.61 0.00 0.00 39.48 37.52 3gi8 n PHE 318 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 3gi8 s LYS 319 N -3.08 0.92 -0.57 3.97 2.20 -1.26 -5.00 119.74 116.91 3gi8 s LYS 319 Ca 0.11 0.23 -0.16 0.00 -0.36 0.00 0.00 55.97 55.79 3gi8 s LYS 319 Cb 0.14 0.43 0.02 0.00 -1.51 0.00 0.00 37.83 36.91 3gi8 s LYS 319 CO 0.54 -0.26 0.64 0.43 -0.36 0.00 0.00 175.35 176.34 3gi8 n SER 320 N 1.25 -6.69 0.10 1.43 7.64 -1.26 -4.85 113.62 111.25 3gi8 n SER 320 Ca -0.19 -0.05 0.12 0.00 1.01 0.00 0.00 58.87 59.76 3gi8 n SER 320 Cb 0.57 -3.67 0.62 0.00 -1.01 0.00 0.00 64.21 60.71 3gi8 n SER 320 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3gi8 h THR 321 N 1.30 0.90 -0.51 0.44 2.02 -1.96 -1.20 112.91 113.90 3gi8 h THR 321 Ca -0.27 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 66.92 3gi8 h THR 321 Cb 1.19 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3gi8 h THR 321 CO 0.26 0.02 0.34 1.05 0.37 0.00 0.00 175.52 177.56 3gi8 h GLU 322 N 0.11 0.46 -0.53 6.66 9.09 -2.00 -1.66 114.58 126.70 3gi8 h GLU 322 Ca 0.14 -0.03 0.05 0.00 0.05 0.00 0.00 59.36 59.58 3gi8 h GLU 322 Cb 0.42 -0.10 -0.03 0.00 -1.65 0.00 0.00 28.75 27.39 3gi8 h GLU 322 CO -0.02 0.30 0.36 0.78 0.05 0.00 0.00 179.01 180.48 3gi8 h GLY 323 N 0.47 0.62 0.99 1.06 0.00 -1.54 -1.00 103.07 103.68 3gi8 h GLY 323 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3gi8 h GLY 323 CO -0.06 0.16 0.29 -2.00 0.00 0.00 0.00 176.54 174.94 3gi8 h LEU 324 N 0.51 0.80 -0.14 3.11 5.85 -1.43 -0.55 115.31 123.47 3gi8 h LEU 324 Ca 0.23 -0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.60 3gi8 h LEU 324 Cb 0.25 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.09 3gi8 h LEU 324 CO -0.06 0.71 -0.74 1.88 -0.34 0.00 0.00 178.44 179.89 3gi8 h TYR 325 N 0.84 1.02 -0.34 1.25 0.05 -1.41 -1.96 116.97 116.41 3gi8 h TYR 325 Ca 0.21 -0.45 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 3gi8 h TYR 325 Cb 0.12 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 3gi8 h TYR 325 CO 0.00 1.28 0.17 0.82 -1.05 0.00 0.00 178.16 179.38 3gi8 h ILE 326 N 0.47 1.15 -0.74 -2.88 2.04 -1.15 0.25 117.51 116.65 3gi8 h ILE 326 Ca -0.05 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3gi8 h ILE 326 Cb 1.37 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3gi8 h ILE 326 CO 0.15 0.16 0.35 0.74 0.00 0.00 0.00 178.15 179.55 3gi8 h THR 327 N 0.42 1.24 -0.19 -0.27 2.02 -1.14 -2.43 112.91 112.54 3gi8 h THR 327 Ca 0.12 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 66.51 3gi8 h THR 327 Cb 0.10 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3gi8 h THR 327 CO -0.02 0.28 -0.38 0.28 0.37 0.00 0.00 175.52 176.06 3gi8 h SER 328 N 1.03 0.45 0.07 4.18 0.02 -1.10 -2.07 113.55 116.14 3gi8 h SER 328 Ca 0.25 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3gi8 h SER 328 Cb 0.12 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3gi8 h SER 328 CO -0.03 0.79 -0.03 0.00 -1.14 0.00 0.00 176.83 176.41 3gi8 h ALA 329 N 1.24 -0.09 0.00 3.77 0.00 -0.18 -2.53 119.26 121.46 3gi8 h ALA 329 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3gi8 h ALA 329 Cb 0.83 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3gi8 h ALA 329 CO 0.07 -0.45 -0.38 -0.07 0.00 0.00 0.00 179.25 178.42 3gi8 h LEU 330 N -0.30 0.00 -0.91 0.00 3.38 -1.50 -1.78 115.31 114.20 3gi8 h LEU 330 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gi8 h LEU 330 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3gi8 h LEU 330 CO 0.02 0.38 0.58 1.23 0.09 0.00 0.00 178.44 180.73 3gi8 h GLY 331 N 1.63 1.30 0.92 0.83 0.00 -1.18 -0.74 103.07 105.84 3gi8 h GLY 331 Ca -0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 47.33 46.62 3gi8 h GLY 331 CO 0.05 0.50 -0.80 -2.08 0.00 0.00 0.00 176.54 174.20 3gi8 h VAL 332 N 1.24 1.38 -0.24 4.60 2.07 -1.31 -3.27 116.25 120.72 3gi8 h VAL 332 Ca 0.33 -2.21 0.05 0.00 0.82 0.00 0.00 66.70 65.70 3gi8 h VAL 332 Cb -0.10 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 3gi8 h VAL 332 CO -0.07 0.65 -0.11 0.25 0.02 0.00 0.00 177.57 178.32 3gi8 h LEU 333 N 0.03 -0.37 -1.33 2.57 6.46 -1.03 -1.73 115.31 119.90 3gi8 h LEU 333 Ca -0.11 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 3gi8 h LEU 333 Cb 1.51 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 41.63 3gi8 h LEU 333 CO 0.16 -0.14 0.19 -0.26 -0.62 0.00 0.00 178.44 177.76 3gi8 h PHE 334 N -0.08 0.64 0.00 1.25 0.04 -1.29 -0.46 116.94 117.04 3gi8 h PHE 334 Ca 0.13 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3gi8 h PHE 334 Cb 0.27 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3gi8 h PHE 334 CO -0.29 0.50 0.00 0.00 -0.60 0.00 0.00 178.31 177.92 3gi8 n ALA 335 N -2.47 2.22 -0.05 2.45 0.00 -0.68 -2.52 120.51 119.47 3gi8 n ALA 335 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 3gi8 n ALA 335 Cb 0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 3gi8 n ALA 335 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gi8 n LEU 336 N -1.04 0.87 0.28 0.00 4.77 -0.48 -4.70 117.00 116.71 3gi8 n LEU 336 Ca 0.14 0.15 0.15 0.00 -0.03 0.00 0.00 56.01 56.42 3gi8 n LEU 336 Cb 0.08 -0.35 0.84 0.00 -2.33 0.00 0.00 43.42 41.67 3gi8 n LEU 336 CO 0.12 0.11 1.05 -0.07 -1.33 0.00 0.00 177.39 177.28 3gi8 h LEU 337 N -0.39 0.00 -8.98 2.23 3.38 -1.18 -3.44 115.31 106.92 3gi8 h LEU 337 Ca -0.24 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.31 3gi8 h LEU 337 Cb 1.12 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 3gi8 h LEU 337 CO -0.14 0.06 -0.66 -0.36 0.09 0.00 0.00 178.44 177.42 3gi8 s PHE 338 N -4.35 1.71 0.55 1.13 0.08 -1.05 -5.02 117.98 111.02 3gi8 s PHE 338 Ca -0.04 -0.83 0.09 0.00 0.12 0.00 0.00 56.93 56.27 3gi8 s PHE 338 Cb 0.14 -0.98 0.09 0.00 -0.57 0.00 0.00 43.02 41.69 3gi8 s PHE 338 CO 0.55 0.09 0.74 0.27 -0.10 0.00 0.00 175.22 176.77 3gi8 n ASN 339 N -0.48 2.05 -0.28 1.36 0.23 -1.26 -4.68 115.26 112.20 3gi8 n ASN 339 Ca -0.05 -2.48 0.07 0.00 -0.53 0.00 0.00 54.58 51.58 3gi8 n ASN 339 Cb 0.64 -0.38 0.22 0.00 -2.08 0.00 0.00 39.78 38.17 3gi8 n ASN 339 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 3gi8 h MET 340 N 0.00 0.47 0.00 -3.83 1.85 -1.97 0.21 114.93 111.65 3gi8 h MET 340 Ca -0.26 -0.03 -0.15 0.00 -0.61 0.00 0.00 59.70 58.65 3gi8 h MET 340 Cb 1.19 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.09 3gi8 h MET 340 CO 0.38 0.31 -0.73 1.49 -0.40 0.00 0.00 176.91 177.96 3gi8 h GLU 341 N 0.48 0.00 -0.13 0.39 4.81 -1.98 -3.22 114.58 114.93 3gi8 h GLU 341 Ca 0.45 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.62 3gi8 h GLU 341 Cb 0.71 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 3gi8 h GLU 341 CO -0.42 0.73 -0.15 0.78 -0.73 0.00 0.00 179.01 179.22 3gi8 h GLY 342 N 2.56 0.36 0.98 1.92 0.00 -1.23 -3.07 103.07 104.60 3gi8 h GLY 342 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3gi8 h GLY 342 CO 0.09 0.34 0.27 -2.08 0.00 0.00 0.00 176.54 175.17 3gi8 h VAL 343 N -0.06 1.16 -0.52 4.60 2.07 -0.82 -2.97 116.25 119.71 3gi8 h VAL 343 Ca 0.02 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3gi8 h VAL 343 Cb 0.69 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3gi8 h VAL 343 CO 0.04 0.17 0.23 0.00 0.02 0.00 0.00 177.57 178.02 3gi8 h ALA 344 N 1.12 1.42 -0.26 1.67 0.00 -1.63 -2.15 119.26 119.43 3gi8 h ALA 344 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3gi8 h ALA 344 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gi8 h ALA 344 CO -0.03 0.45 0.05 0.77 0.00 0.00 0.00 179.25 180.49 3gi8 h SER 345 N 0.74 0.40 -0.00 0.00 0.02 -1.42 -2.59 113.55 110.71 3gi8 h SER 345 Ca 0.18 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3gi8 h SER 345 Cb 0.12 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3gi8 h SER 345 CO -0.02 0.55 0.00 0.40 -1.14 0.00 0.00 176.83 176.62 3gi8 h ILE 346 N 0.23 1.15 -0.55 3.27 2.04 -1.42 -2.34 117.51 119.89 3gi8 h ILE 346 Ca 0.08 -0.44 0.11 0.00 1.00 0.00 0.00 64.86 65.61 3gi8 h ILE 346 Cb 0.32 1.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.74 3gi8 h ILE 346 CO 0.00 0.11 -0.05 0.74 0.00 0.00 0.00 178.15 178.96 3gi8 h THR 347 N -0.18 0.52 -0.26 -0.27 2.02 -1.39 -1.20 112.91 112.15 3gi8 h THR 347 Ca 0.00 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 3gi8 h THR 347 Cb 0.19 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3gi8 h THR 347 CO -0.00 0.01 -0.28 -1.28 0.37 0.00 0.00 175.52 174.34 3gi8 h SER 348 N 0.07 0.52 -0.47 4.18 0.87 -1.41 -2.75 113.55 114.56 3gi8 h SER 348 Ca 0.28 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3gi8 h SER 348 Cb 0.43 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3gi8 h SER 348 CO -0.50 0.78 -0.02 0.00 -0.53 0.00 0.00 176.83 176.56 3gi8 h ALA 349 N 1.26 0.64 -0.10 6.23 0.00 -0.74 -2.54 119.26 124.01 3gi8 h ALA 349 Ca 0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gi8 h ALA 349 Cb 0.72 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3gi8 h ALA 349 CO 0.05 0.46 0.05 0.28 0.00 0.00 0.00 179.25 180.10 3gi8 h VAL 350 N 0.70 1.10 -0.68 0.00 2.07 -1.17 -3.10 116.25 115.17 3gi8 h VAL 350 Ca 0.13 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3gi8 h VAL 350 Cb 0.53 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3gi8 h VAL 350 CO 0.03 0.09 0.42 -0.26 0.02 0.00 0.00 177.57 177.86 3gi8 h PHE 351 N 0.06 0.78 -0.80 1.57 0.05 -1.46 -2.83 116.94 114.30 3gi8 h PHE 351 Ca 0.04 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.85 3gi8 h PHE 351 Cb 0.09 -0.25 -0.04 0.00 2.00 0.00 0.00 35.95 37.75 3gi8 h PHE 351 CO -0.04 0.44 0.51 0.52 -0.18 0.00 0.00 178.31 179.55 3gi8 h MET 352 N 0.81 1.06 -0.26 1.51 2.86 -1.39 0.35 114.93 119.87 3gi8 h MET 352 Ca 0.28 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.71 3gi8 h MET 352 Cb 0.05 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 3gi8 h MET 352 CO -0.12 0.72 -0.40 0.28 1.06 0.00 0.00 176.91 178.45 3gi8 h VAL 353 N 1.09 1.30 -0.08 -2.22 2.07 -1.45 0.14 116.25 117.10 3gi8 h VAL 353 Ca 0.29 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 3gi8 h VAL 353 Cb -0.09 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3gi8 h VAL 353 CO -0.06 0.50 0.04 0.40 0.02 0.00 0.00 177.57 178.47 3gi8 h ILE 354 N 0.51 1.10 -0.78 4.57 2.04 -1.16 -2.42 117.51 121.37 3gi8 h ILE 354 Ca 0.04 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3gi8 h ILE 354 Cb 0.91 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3gi8 h ILE 354 CO 0.08 0.09 0.38 1.88 0.00 0.00 0.00 178.15 180.57 3gi8 h TYR 355 N 0.01 1.12 -0.99 1.37 0.05 -0.74 -0.52 116.97 117.26 3gi8 h TYR 355 Ca 0.03 -0.05 0.06 0.00 0.05 0.00 0.00 58.73 58.81 3gi8 h TYR 355 Cb 0.10 -0.35 -0.06 0.00 1.01 0.00 0.00 36.73 37.43 3gi8 h TYR 355 CO -0.04 0.81 0.64 -0.07 -1.05 0.00 0.00 178.16 178.46 3gi8 h LEU 356 N 1.09 1.04 -0.55 3.88 3.38 -0.67 0.17 115.31 123.65 3gi8 h LEU 356 Ca 0.27 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 3gi8 h LEU 356 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3gi8 h LEU 356 CO -0.03 0.67 -0.63 -0.26 0.09 0.00 0.00 178.44 178.27 3gi8 h PHE 357 N 1.18 0.00 -0.29 1.13 0.04 -0.90 -1.17 116.94 116.92 3gi8 h PHE 357 Ca 0.42 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.14 3gi8 h PHE 357 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3gi8 h PHE 357 CO -0.00 0.63 -0.02 0.28 -0.60 0.00 0.00 178.31 178.60 3gi8 h VAL 358 N 0.00 1.27 -0.43 -0.55 2.07 -0.14 -1.10 116.25 117.36 3gi8 h VAL 358 Ca -0.01 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3gi8 h VAL 358 Cb 1.23 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 3gi8 h VAL 358 CO 0.08 0.32 0.16 0.40 0.02 0.00 0.00 177.57 178.55 3gi8 h ILE 359 N 0.32 1.21 -0.77 4.57 2.04 -0.64 -1.48 117.51 122.76 3gi8 h ILE 359 Ca 0.08 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3gi8 h ILE 359 Cb 0.47 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3gi8 h ILE 359 CO 0.02 0.24 0.51 0.25 0.00 0.00 0.00 178.15 179.17 3gi8 h LEU 360 N 0.56 0.82 -0.45 1.44 5.85 -1.19 -1.49 115.31 120.84 3gi8 h LEU 360 Ca 0.14 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3gi8 h LEU 360 Cb 0.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3gi8 h LEU 360 CO -0.01 0.56 0.12 0.28 -0.34 0.00 0.00 178.44 179.06 3gi8 h SER 361 N 0.95 0.68 -0.98 1.25 0.02 -0.77 -2.62 113.55 112.08 3gi8 h SER 361 Ca 0.30 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3gi8 h SER 361 Cb 0.03 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 3gi8 h SER 361 CO -0.09 0.72 0.65 -0.74 -1.14 0.00 0.00 176.83 176.24 3gi8 h HIS 362 N 0.60 1.23 0.03 3.45 -0.00 -0.72 -1.17 115.15 118.56 3gi8 h HIS 362 Ca 0.14 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3gi8 h HIS 362 Cb 0.30 -0.41 -0.03 0.00 -0.00 0.00 0.00 27.41 27.27 3gi8 h HIS 362 CO 0.02 0.75 -0.16 -0.92 -0.00 0.00 0.00 177.93 177.62 3gi8 h TYR 363 N 1.31 -0.43 -0.63 5.26 3.20 -1.13 -1.12 116.97 123.44 3gi8 h TYR 363 Ca 0.37 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.19 3gi8 h TYR 363 Cb -0.11 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3gi8 h TYR 363 CO -0.00 -0.24 0.16 0.82 -1.64 0.00 0.00 178.16 177.25 3gi8 h ILE 364 N -0.29 1.24 -0.65 1.81 2.04 -1.08 -3.03 117.51 117.56 3gi8 h ILE 364 Ca 0.04 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3gi8 h ILE 364 Cb 0.34 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3gi8 h ILE 364 CO -0.13 0.34 0.00 0.18 0.00 0.00 0.00 178.15 178.53 3gi8 n LEU 365 N -4.25 5.01 0.32 1.44 4.77 -0.48 -4.50 117.00 119.30 3gi8 n LEU 365 Ca 0.05 -2.54 0.19 0.00 -0.03 0.00 0.00 56.01 53.68 3gi8 n LEU 365 Cb 0.24 -0.61 1.06 0.00 -2.33 0.00 0.00 43.42 41.78 3gi8 n LEU 365 CO 0.41 0.79 1.14 -0.29 -1.33 0.00 0.00 177.39 178.11 3gi8 h ILE 366 N 4.14 0.23 -0.23 -0.08 2.10 -1.07 0.32 117.51 122.91 3gi8 h ILE 366 Ca 0.00 -0.06 -0.10 0.00 1.08 0.00 0.00 64.86 65.78 3gi8 h ILE 366 Cb 1.57 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 38.33 3gi8 h ILE 366 CO 0.29 0.01 -0.28 0.44 -1.08 0.00 0.00 178.15 177.53 3gi8 h ASP 367 N 0.00 0.46 0.03 2.19 5.19 -1.85 -2.02 116.42 120.41 3gi8 h ASP 367 Ca -0.00 -0.16 -0.30 0.00 -0.62 0.00 0.00 57.03 55.95 3gi8 h ASP 367 Cb 0.05 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.40 3gi8 h ASP 367 CO 0.00 0.73 -1.62 1.21 -3.12 0.00 0.00 179.24 176.44 3gi8 n GLU 368 N -4.11 0.62 0.05 3.56 2.13 0.91 -4.54 120.64 119.25 3gi8 n GLU 368 Ca -0.01 0.46 0.11 0.00 0.66 0.00 0.00 57.16 58.38 3gi8 n GLU 368 Cb 0.42 -1.70 -0.02 0.00 0.27 0.00 0.00 31.44 30.41 3gi8 n GLU 368 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3gi8 n VAL 369 N -4.16 0.31 0.00 6.31 0.24 0.12 -5.09 118.33 116.06 3gi8 n VAL 369 Ca -0.35 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 3gi8 n VAL 369 Cb 0.80 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 3gi8 n VAL 369 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gi8 n GLY 370 N 1.28 -1.33 0.00 7.63 0.00 -0.76 -4.90 105.19 107.11 3gi8 n GLY 370 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3gi8 n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi8 n GLY 371 N -1.26 3.25 3.54 -0.02 0.00 -1.26 -4.76 105.19 104.68 3gi8 n GLY 371 Ca 0.00 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3gi8 n GLY 371 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gi8 s ARG 372 N -2.63 3.50 0.28 1.61 1.81 -1.26 -4.97 118.95 117.30 3gi8 s ARG 372 Ca 0.00 -0.24 0.02 0.00 -1.72 0.00 0.00 55.73 53.79 3gi8 s ARG 372 Cb 0.00 -3.86 0.66 0.00 -0.45 0.00 0.00 34.95 31.31 3gi8 s ARG 372 CO 0.00 -0.76 1.69 0.87 -0.68 0.00 0.00 175.30 176.42 3gi8 h LYS 373 N 8.58 0.36 0.00 3.54 1.57 -1.98 -0.61 116.57 128.03 3gi8 h LYS 373 Ca -0.27 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 3gi8 h LYS 373 Cb 1.11 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3gi8 h LYS 373 CO 0.81 0.24 -0.22 0.93 -0.57 0.00 0.00 179.45 180.63 3gi8 h GLU 374 N 0.37 0.00 0.11 3.15 3.07 -1.99 0.23 114.58 119.51 3gi8 h GLU 374 Ca 0.53 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.12 3gi8 h GLU 374 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 3gi8 h GLU 374 CO -0.53 0.22 -1.19 0.82 -1.40 0.00 0.00 179.01 176.93 3gi8 h ILE 375 N 0.00 1.49 0.00 3.13 2.04 -1.57 -2.38 117.51 120.22 3gi8 h ILE 375 Ca -0.00 -2.96 -0.02 0.00 1.00 0.00 0.00 64.86 62.87 3gi8 h ILE 375 Cb 0.65 2.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.59 3gi8 h ILE 375 CO 0.03 0.87 -0.11 0.58 0.00 0.00 0.00 178.15 179.52 3gi8 h VAL 376 N 0.10 0.28 0.23 1.67 2.07 -0.34 -2.01 116.25 118.24 3gi8 h VAL 376 Ca -0.12 -0.83 -0.33 0.00 0.82 0.00 0.00 66.70 66.24 3gi8 h VAL 376 Cb 1.90 1.65 0.03 0.00 -1.52 0.00 0.00 31.29 33.35 3gi8 h VAL 376 CO 0.20 0.11 -1.53 0.40 0.02 0.00 0.00 177.57 176.77 3gi8 h ILE 377 N 0.00 1.19 0.34 4.57 2.04 -0.65 -3.36 117.51 121.65 3gi8 h ILE 377 Ca -0.00 -2.64 -0.02 0.00 1.00 0.00 0.00 64.86 63.21 3gi8 h ILE 377 Cb 0.64 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3gi8 h ILE 377 CO 0.01 0.82 -0.16 0.15 0.00 0.00 0.00 178.15 178.97 3gi8 h PHE 378 N 0.10 -0.42 -0.78 1.37 3.57 -0.97 -2.80 116.94 117.02 3gi8 h PHE 378 Ca -0.28 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 3gi8 h PHE 378 Cb 2.13 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.97 3gi8 h PHE 378 CO 0.13 -0.20 0.39 0.77 -2.23 0.00 0.00 178.31 177.17 3gi8 h SER 379 N -0.55 1.00 -0.07 0.41 0.02 -1.60 -1.45 113.55 111.31 3gi8 h SER 379 Ca -0.05 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3gi8 h SER 379 Cb 0.41 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 3gi8 h SER 379 CO 0.08 0.84 -0.21 0.15 -1.14 0.00 0.00 176.83 176.54 3gi8 h PHE 380 N 1.11 -0.55 -0.70 3.45 3.57 -1.68 0.16 116.94 122.30 3gi8 h PHE 380 Ca 0.27 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3gi8 h PHE 380 Cb 0.09 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3gi8 h PHE 380 CO 0.01 -0.29 0.24 0.82 -2.23 0.00 0.00 178.31 176.86 3gi8 h ILE 381 N -0.29 1.25 0.67 1.41 2.04 -1.22 -1.51 117.51 119.85 3gi8 h ILE 381 Ca 0.08 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 3gi8 h ILE 381 Cb 0.41 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3gi8 h ILE 381 CO -0.24 0.33 -0.32 0.58 0.00 0.00 0.00 178.15 178.49 3gi8 h VAL 382 N 1.02 0.34 -0.48 1.67 2.07 -0.74 -0.42 116.25 119.70 3gi8 h VAL 382 Ca 0.23 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.76 3gi8 h VAL 382 Cb 0.25 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3gi8 h VAL 382 CO -0.01 0.00 0.30 0.58 0.02 0.00 0.00 177.57 178.46 3gi8 h VAL 383 N -0.91 1.07 -0.60 2.57 2.07 -0.63 -0.28 116.25 119.53 3gi8 h VAL 383 Ca -0.09 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.25 3gi8 h VAL 383 Cb 0.70 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3gi8 h VAL 383 CO 0.15 0.11 0.37 0.25 0.02 0.00 0.00 177.57 178.47 3gi8 h LEU 384 N 0.60 0.60 -0.43 2.57 5.85 -1.27 0.27 115.31 123.50 3gi8 h LEU 384 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3gi8 h LEU 384 Cb -0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3gi8 h LEU 384 CO -0.07 0.42 0.28 1.23 -0.34 0.00 0.00 178.44 179.96 3gi8 h GLY 385 N 0.72 0.60 1.29 3.75 0.00 -0.51 0.75 103.07 109.68 3gi8 h GLY 385 Ca 0.24 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 3gi8 h GLY 385 CO -0.10 0.22 0.07 -2.08 0.00 0.00 0.00 176.54 174.64 3gi8 h VAL 386 N 0.58 1.24 -0.65 4.60 2.07 -0.68 0.19 116.25 123.60 3gi8 h VAL 386 Ca 0.16 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3gi8 h VAL 386 Cb -0.06 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3gi8 h VAL 386 CO -0.03 0.35 0.21 0.15 0.02 0.00 0.00 177.57 178.26 3gi8 h PHE 387 N 0.82 1.04 -0.31 1.57 3.57 -0.09 -2.20 116.94 121.34 3gi8 h PHE 387 Ca 0.17 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 3gi8 h PHE 387 Cb 0.40 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3gi8 h PHE 387 CO 0.02 0.84 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.55 3gi8 h LEU 388 N 0.94 0.71 -1.59 0.59 3.38 -0.50 -2.74 115.31 116.11 3gi8 h LEU 388 Ca 0.21 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3gi8 h LEU 388 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3gi8 h LEU 388 CO -0.01 0.99 -0.11 -0.07 0.09 0.00 0.00 178.44 179.32 3gi8 h LEU 389 N 0.58 0.11 -0.16 1.67 3.38 -0.77 0.12 115.31 120.24 3gi8 h LEU 389 Ca 0.06 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 3gi8 h LEU 389 Cb 0.84 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.57 3gi8 h LEU 389 CO 0.07 0.25 -0.71 0.25 0.09 0.00 0.00 178.44 178.39 3gi8 h LEU 390 N 0.12 0.90 -0.44 1.67 5.85 -1.24 -1.59 115.31 120.58 3gi8 h LEU 390 Ca 0.03 -0.62 -0.15 0.00 0.84 0.00 0.00 57.88 57.98 3gi8 h LEU 390 Cb 0.28 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3gi8 h LEU 390 CO 0.02 1.37 -0.30 -0.07 -0.34 0.00 0.00 178.44 179.12 3gi8 h LEU 391 N 0.49 1.02 -0.26 2.25 3.38 -1.19 -1.76 115.31 119.24 3gi8 h LEU 391 Ca -0.04 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3gi8 h LEU 391 Cb 1.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3gi8 h LEU 391 CO 0.15 1.23 0.14 0.22 0.09 0.00 0.00 178.44 180.27 3gi8 h TYR 392 N 0.82 0.36 0.32 1.13 3.20 -0.80 -1.54 116.97 120.45 3gi8 h TYR 392 Ca 0.09 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3gi8 h TYR 392 Cb 0.89 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.04 3gi8 h TYR 392 CO 0.06 0.30 -0.16 -0.92 -1.64 0.00 0.00 178.16 175.80 3gi8 h TYR 393 N 0.31 -0.41 -0.49 -3.82 3.20 -1.26 -2.77 116.97 111.74 3gi8 h TYR 393 Ca 0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3gi8 h TYR 393 Cb 0.06 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3gi8 h TYR 393 CO -0.03 -0.25 0.24 1.96 -1.64 0.00 0.00 178.16 178.44 3gi8 h GLN 394 N -0.44 0.67 -0.61 1.82 1.08 -1.26 0.43 115.11 116.81 3gi8 h GLN 394 Ca -0.04 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 3gi8 h GLN 394 Cb 0.34 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 3gi8 h GLN 394 CO 0.07 0.51 0.08 2.35 -0.95 0.00 0.00 178.83 180.89 3gi8 h TRP 395 N 0.68 1.06 -0.08 2.96 -0.00 -1.23 0.18 115.95 119.52 3gi8 h TRP 395 Ca 0.17 -0.14 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3gi8 h TRP 395 Cb 0.05 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 28.92 3gi8 h TRP 395 CO 0.00 0.91 0.00 0.44 -0.00 0.00 0.00 178.44 179.79 3gi8 n ILE 396 N -4.22 0.08 0.02 2.65 -5.35 -0.72 -4.51 119.36 107.32 3gi8 n ILE 396 Ca 0.04 -0.33 -0.01 0.00 -0.27 0.00 0.00 62.75 62.18 3gi8 n ILE 396 Cb 0.29 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 38.79 3gi8 n ILE 396 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3gi8 n THR 397 N 0.41 0.75 -3.79 7.28 -1.04 0.06 -5.05 114.28 112.90 3gi8 n THR 397 Ca 0.18 0.21 -0.28 0.00 -2.04 0.00 0.00 64.05 62.12 3gi8 n THR 397 Cb 0.39 -1.58 -0.16 0.00 -1.82 0.00 0.00 70.33 67.15 3gi8 n THR 397 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3gi8 s ASN 398 N -5.62 3.10 0.04 8.00 3.84 0.60 -5.01 114.94 119.88 3gi8 s ASN 398 Ca -0.02 -0.88 -0.25 0.00 0.21 0.00 0.00 52.86 51.92 3gi8 s ASN 398 Cb 0.00 -0.74 -0.18 0.00 -0.55 0.00 0.00 41.25 39.79 3gi8 s ASN 398 CO 0.03 -0.28 1.50 -0.09 -2.79 0.00 0.00 177.10 175.46 3gi8 h ARG 399 N 8.17 -0.04 -0.98 0.43 9.65 -1.83 -1.36 114.38 128.43 3gi8 h ARG 399 Ca -0.17 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.76 3gi8 h ARG 399 Cb 1.11 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.64 3gi8 h ARG 399 CO 0.35 0.20 0.63 0.35 2.80 0.00 0.00 179.97 184.30 3gi8 h PHE 400 N -0.28 1.18 0.10 2.20 3.57 -1.95 -2.43 116.94 119.33 3gi8 h PHE 400 Ca -0.00 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.26 3gi8 h PHE 400 Cb 0.26 -0.39 0.01 0.00 2.79 0.00 0.00 35.95 38.62 3gi8 h PHE 400 CO 0.00 0.65 -1.17 0.28 -2.23 0.00 0.00 178.31 175.84 3gi8 h VAL 401 N 1.19 1.46 -0.05 1.41 2.07 -1.92 -3.19 116.25 117.22 3gi8 h VAL 401 Ca 0.40 -2.87 0.03 0.00 0.82 0.00 0.00 66.70 65.09 3gi8 h VAL 401 Cb 0.08 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 3gi8 h VAL 401 CO -0.15 0.84 -0.13 0.15 0.02 0.00 0.00 177.57 178.31 3gi8 h PHE 402 N 0.12 -0.32 0.00 1.57 3.57 -0.78 -2.25 116.94 118.86 3gi8 h PHE 402 Ca -0.13 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 3gi8 h PHE 402 Cb 1.87 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.75 3gi8 h PHE 402 CO 0.07 -0.19 -0.36 1.88 -2.23 0.00 0.00 178.31 177.48 3gi8 h TYR 403 N -0.19 0.00 -0.57 0.41 0.05 -1.59 -2.33 116.97 112.75 3gi8 h TYR 403 Ca 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3gi8 h TYR 403 Cb 0.27 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 3gi8 h TYR 403 CO -0.21 0.36 0.28 0.78 -1.05 0.00 0.00 178.16 178.31 3gi8 h GLY 404 N 1.10 0.85 0.92 3.88 0.00 -1.43 0.10 103.07 108.48 3gi8 h GLY 404 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 3gi8 h GLY 404 CO 0.05 0.37 -0.43 -2.22 0.00 0.00 0.00 176.54 174.31 3gi8 h ILE 405 N 0.79 1.34 -0.56 2.60 2.04 -0.89 -3.07 117.51 119.75 3gi8 h ILE 405 Ca 0.20 -1.68 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 3gi8 h ILE 405 Cb 0.07 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3gi8 h ILE 405 CO -0.03 0.52 0.05 0.40 0.00 0.00 0.00 178.15 179.09 3gi8 h ILE 406 N 0.26 1.26 -0.34 -0.67 1.08 -1.24 -3.01 117.51 114.85 3gi8 h ILE 406 Ca -0.00 -1.05 -0.02 0.00 -0.39 0.00 0.00 64.86 63.40 3gi8 h ILE 406 Cb 1.04 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 3gi8 h ILE 406 CO 0.09 0.38 0.12 0.00 -0.69 0.00 0.00 178.15 178.05 3gi8 h ALA 407 N 0.98 1.59 0.24 1.87 0.00 -1.04 -3.02 119.26 119.89 3gi8 h ALA 407 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gi8 h ALA 407 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gi8 h ALA 407 CO 0.02 0.32 -0.12 1.15 0.00 0.00 0.00 179.25 180.63 3gi8 h THR 408 N 0.47 0.77 -0.26 0.00 2.02 -1.42 0.24 112.91 114.73 3gi8 h THR 408 Ca 0.12 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 3gi8 h THR 408 Cb 0.12 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3gi8 h THR 408 CO -0.01 0.01 -0.04 -0.26 0.37 0.00 0.00 175.52 175.59 3gi8 h PHE 409 N -0.35 0.41 0.09 3.16 0.04 -1.58 -0.41 116.94 118.30 3gi8 h PHE 409 Ca -0.03 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 3gi8 h PHE 409 Cb 0.27 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3gi8 h PHE 409 CO -0.05 0.45 -0.04 0.82 -0.60 0.00 0.00 178.31 178.88 3gi8 h ILE 410 N 0.39 1.06 -0.40 -0.55 2.04 -1.44 -3.00 117.51 115.61 3gi8 h ILE 410 Ca 0.08 -1.39 0.12 0.00 1.00 0.00 0.00 64.86 64.67 3gi8 h ILE 410 Cb 0.32 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3gi8 h ILE 410 CO 0.01 0.30 0.34 1.23 0.00 0.00 0.00 178.15 180.03 3gi8 h GLY 411 N -0.85 0.00 0.93 5.37 0.00 -0.31 0.19 103.07 108.40 3gi8 h GLY 411 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 3gi8 h GLY 411 CO 0.02 0.00 -0.75 -2.08 0.00 0.00 0.00 176.54 173.74 3gi8 h VAL 412 N 0.00 1.37 -0.16 4.60 2.07 -1.16 -2.72 116.25 120.25 3gi8 h VAL 412 Ca 0.19 -2.12 -0.13 0.00 0.82 0.00 0.00 66.70 65.46 3gi8 h VAL 412 Cb 0.87 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 3gi8 h VAL 412 CO -0.00 0.63 -0.44 0.25 0.02 0.00 0.00 177.57 178.03 3gi8 h LEU 413 N 0.08 0.42 0.08 2.57 5.85 -0.91 -2.09 115.31 121.32 3gi8 h LEU 413 Ca -0.09 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 3gi8 h LEU 413 Cb 1.43 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3gi8 h LEU 413 CO 0.15 0.82 -0.04 0.40 -0.34 0.00 0.00 178.44 179.43 3gi8 h ILE 414 N 0.32 1.08 -0.66 4.05 1.08 -0.81 -2.88 117.51 119.69 3gi8 h ILE 414 Ca 0.02 -0.56 0.08 0.00 -0.39 0.00 0.00 64.86 64.01 3gi8 h ILE 414 Cb 0.91 1.44 -0.04 0.00 -3.07 0.00 0.00 36.82 36.07 3gi8 h ILE 414 CO 0.08 0.14 0.44 0.15 -0.69 0.00 0.00 178.15 178.26 3gi8 h PHE 415 N -0.36 0.62 0.20 1.37 3.57 -1.42 -2.22 116.94 118.70 3gi8 h PHE 415 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3gi8 h PHE 415 Cb 0.31 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3gi8 h PHE 415 CO 0.01 0.31 -0.10 1.49 -2.23 0.00 0.00 178.31 177.80 3gi8 h GLU 416 N 0.60 -0.26 -0.70 1.11 4.57 -1.31 0.15 114.58 118.74 3gi8 h GLU 416 Ca 0.29 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.45 3gi8 h GLU 416 Cb 0.37 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 3gi8 h GLU 416 CO -0.09 0.09 0.27 0.82 -1.18 0.00 0.00 179.01 178.92 3gi8 h ILE 417 N -0.67 1.24 0.26 2.32 2.04 -1.40 0.16 117.51 121.46 3gi8 h ILE 417 Ca -0.03 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3gi8 h ILE 417 Cb 0.47 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3gi8 h ILE 417 CO 0.05 0.31 -0.12 0.40 0.00 0.00 0.00 178.15 178.78 3gi8 h ILE 418 N 1.01 0.78 -0.51 -0.67 2.04 -1.44 -1.97 117.51 116.75 3gi8 h ILE 418 Ca 0.23 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3gi8 h ILE 418 Cb 0.21 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3gi8 h ILE 418 CO -0.02 0.05 0.18 0.22 0.00 0.00 0.00 178.15 178.58 3gi8 h TYR 419 N -0.45 0.75 0.00 1.37 3.20 -0.66 -1.38 116.97 119.80 3gi8 h TYR 419 Ca -0.04 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 3gi8 h TYR 419 Cb 0.34 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3gi8 h TYR 419 CO -0.03 0.60 -0.56 -0.09 -1.64 0.00 0.00 178.16 176.44 3gi8 h ARG 420 N 0.73 0.00 -0.01 1.82 2.43 -0.66 -1.11 114.38 117.58 3gi8 h ARG 420 Ca 0.17 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.10 3gi8 h ARG 420 Cb 0.19 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3gi8 h ARG 420 CO -0.01 0.56 -0.97 0.87 -1.51 0.00 0.00 179.97 178.92 3gi8 h LYS 421 N 0.00 0.55 -0.01 0.20 1.57 -0.87 -1.86 116.57 116.15 3gi8 h LYS 421 Ca -0.01 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 3gi8 h LYS 421 Cb 1.10 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3gi8 h LYS 421 CO 0.07 1.20 -0.02 0.28 -0.57 0.00 0.00 179.45 180.41 3gi8 h VAL 422 N 0.31 1.52 0.00 0.50 2.07 -1.18 -3.39 116.25 116.09 3gi8 h VAL 422 Ca -0.10 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3gi8 h VAL 422 Cb 1.61 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 3gi8 h VAL 422 CO 0.18 0.41 -1.58 0.35 0.02 0.00 0.00 177.57 176.95 3gi8 n THR 423 N -4.75 0.00 -2.58 2.57 -2.24 -0.43 -5.00 114.28 101.85 3gi8 n THR 423 Ca -0.09 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.16 3gi8 n THR 423 Cb 0.34 0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.89 3gi8 n THR 423 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gi8 n LYS 424 N -1.95 -2.63 -2.16 -0.78 4.76 -0.70 -4.94 118.16 109.76 3gi8 n LYS 424 Ca -0.02 0.93 -0.42 0.00 -2.87 0.00 0.00 58.31 55.93 3gi8 n LYS 424 Cb 0.43 -5.58 -0.03 0.00 -1.84 0.00 0.00 35.03 28.00 3gi8 n LYS 424 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3gi8 s ARG 425 N -5.21 4.28 0.13 1.97 3.52 -1.26 -5.03 118.95 117.34 3gi8 s ARG 425 Ca 0.10 2.05 0.08 0.00 -0.13 0.00 0.00 55.73 57.82 3gi8 s ARG 425 Cb -0.04 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3gi8 s ARG 425 CO 0.12 -0.57 -0.10 -0.08 -0.81 0.00 0.00 175.30 173.86 3gi8 s THR 426 N 2.17 3.32 -0.12 4.11 -1.32 -1.26 -4.93 115.64 117.61 3gi8 s THR 426 Ca 0.66 -1.38 -0.05 0.00 -1.21 0.00 0.00 61.69 59.71 3gi8 s THR 426 Cb -0.34 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.03 3gi8 s THR 426 CO 0.28 0.05 0.07 -0.36 -2.21 0.00 0.00 174.62 172.45 3gi8 s PHE 427 N -1.35 3.34 0.35 9.09 0.08 -1.26 -4.62 117.98 123.61 3gi8 s PHE 427 Ca 0.22 0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.59 3gi8 s PHE 427 Cb -0.10 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3gi8 s PHE 427 CO 0.14 0.49 0.11 -1.54 -0.10 0.00 0.00 175.22 174.32 3gi8 s SER 428 N -0.62 2.23 0.00 1.36 1.04 -1.26 -4.54 113.70 111.91 3gi8 s SER 428 Ca 0.11 -1.54 0.05 0.00 0.48 0.00 0.00 55.95 55.05 3gi8 s SER 428 Cb -0.12 0.29 0.20 0.00 0.10 0.00 0.00 66.02 66.49 3gi8 s SER 428 CO 0.02 -0.82 1.13 -0.46 0.98 0.00 0.00 173.24 174.10 3gi8 n ASN 429 N -0.97 0.00 -0.47 7.02 6.94 -1.26 -2.99 115.26 123.53 3gi8 n ASN 429 Ca -0.03 0.47 0.39 0.00 -0.02 0.00 0.00 54.58 55.39 3gi8 n ASN 429 Cb 0.65 -0.48 0.70 0.00 -2.36 0.00 0.00 39.78 38.30 3gi8 n ASN 429 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 3gi8 h ASN 430 N 0.00 0.15 -0.29 0.53 -0.26 -1.97 -1.27 115.58 112.48 3gi8 h ASN 430 Ca 0.00 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 3gi8 h ASN 430 Cb 0.08 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 3gi8 h ASN 430 CO 0.00 -0.07 0.16 0.24 -1.06 0.00 0.00 177.43 176.71 3gi8 h MET 431 N 0.08 0.42 0.00 0.81 2.86 -1.90 -3.37 114.93 113.84 3gi8 h MET 431 Ca 0.77 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.37 3gi8 h MET 431 Cb 2.69 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 34.26 3gi8 h MET 431 CO -0.21 0.32 0.00 2.48 1.06 0.00 0.00 176.91 180.55 3gi8 n TYR 432 N -4.45 0.00 -0.09 -0.22 0.18 -0.70 -4.46 117.16 107.43 3gi8 n TYR 432 Ca 0.02 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.61 3gi8 n TYR 432 Cb 0.10 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.94 3gi8 n TYR 432 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3gi8 h VAL 433 N 0.39 1.30 -0.63 -3.48 2.07 -1.43 -3.42 116.25 111.06 3gi8 h VAL 433 Ca 0.00 -2.25 0.06 0.00 0.82 0.00 0.00 66.70 65.34 3gi8 h VAL 433 Cb 0.20 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3gi8 h VAL 433 CO 0.00 0.44 -0.21 0.29 0.02 0.00 0.00 177.57 178.11 3gi8 n LYS 434 N -4.51 -0.59 0.00 1.57 5.02 -1.26 -5.11 118.16 113.27 3gi8 n LYS 434 Ca -0.22 0.48 0.12 0.00 -2.02 0.00 0.00 58.31 56.66 3gi8 n LYS 434 Cb 0.59 -0.70 0.12 0.00 -0.02 0.00 0.00 35.03 35.02 3gi8 n LYS 434 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33