#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l8i s SER 16 N 0.00 2.33 -0.31 3.42 1.04 -1.26 -5.07 113.70 113.85 3l8i s SER 16 Ca 0.00 -1.51 0.10 0.00 0.48 0.00 0.00 55.95 55.02 3l8i s SER 16 Cb 0.00 0.22 0.59 0.00 0.10 0.00 0.00 66.02 66.93 3l8i s SER 16 CO 0.00 -0.77 1.62 1.15 0.98 0.00 0.00 173.24 176.21 3l8i n MET 17 N -0.74 2.51 0.33 4.02 3.85 -1.26 -4.68 117.12 121.15 3l8i n MET 17 Ca -0.03 -3.07 0.20 0.00 -1.00 0.00 0.00 57.70 53.80 3l8i n MET 17 Cb 0.66 -1.98 1.07 0.00 -1.05 0.00 0.00 33.22 31.92 3l8i n MET 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 3l8i h VAL 18 N 1.49 0.06 -0.29 3.17 -1.51 -1.99 -1.51 116.25 115.68 3l8i h VAL 18 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 3l8i h VAL 18 Cb 2.00 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 3l8i h VAL 18 CO 0.57 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.71 3l8i n SER 19 N -3.12 2.95 -0.24 4.19 7.64 -1.26 -4.13 113.62 119.64 3l8i n SER 19 Ca -0.02 -1.86 0.04 0.00 1.01 0.00 0.00 58.87 58.04 3l8i n SER 19 Cb 0.18 -0.19 0.17 0.00 -1.01 0.00 0.00 64.21 63.36 3l8i n SER 19 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3l8i h MET 20 N 3.22 0.35 -0.11 1.43 4.05 -1.63 -2.19 114.93 120.06 3l8i h MET 20 Ca 0.00 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 3l8i h MET 20 Cb 0.79 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.50 3l8i h MET 20 CO 0.00 0.23 0.08 -1.35 0.23 0.00 0.00 176.91 176.10 3l8i h PRO 21 N 0.36 0.00 -0.44 0.39 0.11 -1.82 0.38 132.00 130.98 3l8i h PRO 21 Ca 0.39 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.57 3l8i h PRO 21 Cb 0.61 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.66 3l8i h PRO 21 CO -0.43 0.00 0.10 1.25 -0.21 0.00 0.00 178.00 178.71 3l8i h LEU 22 N 0.00 0.03 0.00 2.35 5.85 -1.73 -0.41 115.31 121.41 3l8i h LEU 22 Ca 0.05 0.07 -0.28 0.00 0.84 0.00 0.00 57.88 58.57 3l8i h LEU 22 Cb 0.20 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3l8i h LEU 22 CO -0.00 0.05 -1.60 1.88 -0.34 0.00 0.00 178.44 178.43 3l8i h TYR 23 N 0.24 0.00 0.00 1.25 0.05 -1.06 -0.69 116.97 116.76 3l8i h TYR 23 Ca 0.22 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.74 3l8i h TYR 23 Cb 0.26 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 3l8i h TYR 23 CO -0.20 0.98 -1.39 0.00 -1.05 0.00 0.00 178.16 176.50 3l8i h ALA 24 N 1.02 0.59 0.00 3.88 0.00 -0.34 -3.39 119.26 121.02 3l8i h ALA 24 Ca -0.25 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.45 3l8i h ALA 24 Cb 1.96 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3l8i h ALA 24 CO 0.08 1.43 -0.32 0.28 0.00 0.00 0.00 179.25 180.72 3l8i n VAL 25 N -3.18 0.97 -0.20 0.00 0.31 -0.22 -4.69 118.33 111.32 3l8i n VAL 25 Ca -0.09 0.27 -0.10 0.00 -0.01 0.00 0.00 64.34 64.41 3l8i n VAL 25 Cb 1.00 -1.73 0.02 0.00 -0.91 0.00 0.00 33.84 32.22 3l8i n VAL 25 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3l8i h MET 26 N -0.32 1.05 0.72 5.55 2.86 -0.95 -1.08 114.93 122.76 3l8i h MET 26 Ca 0.00 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 3l8i h MET 26 Cb 0.32 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3l8i h MET 26 CO 0.00 1.05 -0.43 1.88 1.06 0.00 0.00 176.91 180.47 3l8i h TYR 27 N 0.94 -1.14 -0.97 -0.22 -1.99 -1.32 0.29 116.97 112.56 3l8i h TYR 27 Ca 0.16 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 61.02 3l8i h TYR 27 Cb 0.60 0.40 -0.08 0.00 2.00 0.00 0.00 36.73 39.65 3l8i h TYR 27 CO 0.04 -0.65 0.61 -1.35 -0.00 0.00 0.00 178.16 176.81 3l8i h PRO 28 N -1.08 0.80 -0.30 4.88 0.11 -1.73 0.47 132.00 135.15 3l8i h PRO 28 Ca -0.09 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.00 3l8i h PRO 28 Cb 0.86 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.76 3l8i h PRO 28 CO 0.10 0.53 0.11 0.28 -0.21 0.00 0.00 178.00 178.81 3l8i h VAL 29 N 0.82 0.93 -0.12 3.15 2.07 -0.87 0.02 116.25 122.26 3l8i h VAL 29 Ca 0.50 -0.08 -0.20 0.00 0.82 0.00 0.00 66.70 67.74 3l8i h VAL 29 Cb 0.69 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3l8i h VAL 29 CO -0.27 0.05 -0.73 -0.26 0.02 0.00 0.00 177.57 176.38 3l8i h PHE 30 N 0.25 0.75 -0.97 1.57 0.04 0.45 -2.92 116.94 116.11 3l8i h PHE 30 Ca 0.13 -0.33 0.06 0.00 2.80 0.00 0.00 57.97 60.64 3l8i h PHE 30 Cb 0.10 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.07 3l8i h PHE 30 CO -0.13 1.11 0.63 -0.91 -0.60 0.00 0.00 178.31 178.40 3l8i h ASN 31 N 0.39 0.99 0.12 2.17 2.35 0.06 -2.81 115.58 118.85 3l8i h ASN 31 Ca -0.03 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3l8i h ASN 31 Cb 1.32 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3l8i h ASN 31 CO 0.14 0.64 -0.10 -0.62 -1.65 0.00 0.00 177.43 175.84 3l8i n GLU 32 N -4.49 1.22 -0.20 0.81 1.02 -0.02 -3.21 120.64 115.77 3l8i n GLU 32 Ca 0.15 -0.64 0.11 0.00 -0.02 0.00 0.00 57.16 56.76 3l8i n GLU 32 Cb 0.19 -1.49 0.21 0.00 -0.02 0.00 0.00 31.44 30.33 3l8i n GLU 32 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3l8i n LEU 33 N -0.33 3.42 0.20 -4.62 4.77 -1.07 -4.70 117.00 114.68 3l8i n LEU 33 Ca 0.17 -1.57 0.04 0.00 -0.03 0.00 0.00 56.01 54.62 3l8i n LEU 33 Cb 0.32 -0.26 0.42 0.00 -2.33 0.00 0.00 43.42 41.57 3l8i n LEU 33 CO 0.21 0.76 0.79 -0.33 -1.33 0.00 0.00 177.39 177.48 3l8i h GLU 34 N 4.19 0.00 0.00 3.23 5.08 -1.53 -2.16 114.58 123.39 3l8i h GLU 34 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3l8i h GLU 34 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3l8i h GLU 34 CO 0.00 0.30 -0.19 0.00 -1.00 0.00 0.00 179.01 178.12 3l8i h ARG 35 N 0.00 0.00 0.42 2.33 2.47 -1.86 -0.81 114.38 116.93 3l8i h ARG 35 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3l8i h ARG 35 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3l8i h ARG 35 CO 0.04 0.00 -0.20 0.28 0.56 0.00 0.00 179.97 180.65 3l8i h VAL 36 N 0.00 0.00 -1.58 2.04 2.07 -1.75 -3.44 116.25 113.58 3l8i h VAL 36 Ca 0.00 -0.54 -0.21 0.00 0.82 0.00 0.00 66.70 66.77 3l8i h VAL 36 Cb 0.91 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 30.41 3l8i h VAL 36 CO 0.00 0.00 -0.56 0.21 0.02 0.00 0.00 177.57 177.24 3l8i s ASN 37 N -4.77 0.08 0.25 0.57 2.47 -0.87 -5.05 114.94 107.63 3l8i s ASN 37 Ca -0.08 -0.85 -0.09 0.00 0.42 0.00 0.00 52.86 52.26 3l8i s ASN 37 Cb 0.01 1.18 0.40 0.00 -1.45 0.00 0.00 41.25 41.39 3l8i s ASN 37 CO 0.25 -0.28 1.61 0.25 -3.72 0.00 0.00 177.10 175.21 3l8i h LEU 38 N 7.51 -0.56 -0.30 3.21 5.85 -1.35 -2.48 115.31 127.20 3l8i h LEU 38 Ca -0.00 0.22 -0.19 0.00 0.84 0.00 0.00 57.88 58.75 3l8i h LEU 38 Cb 1.12 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.58 3l8i h LEU 38 CO 0.20 -0.24 -0.54 0.77 -0.34 0.00 0.00 178.44 178.29 3l8i h SER 39 N 0.04 0.99 -0.19 1.25 4.64 -1.96 -1.43 113.55 116.89 3l8i h SER 39 Ca 0.41 -0.53 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 3l8i h SER 39 Cb 0.69 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3l8i h SER 39 CO -0.76 1.33 -0.04 0.00 -0.87 0.00 0.00 176.83 176.49 3l8i h ALA 40 N 0.69 0.26 -0.54 5.18 0.00 -1.95 0.16 119.26 123.06 3l8i h ALA 40 Ca 0.02 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.79 3l8i h ALA 40 Cb 1.15 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3l8i h ALA 40 CO 0.12 0.02 -0.23 0.00 0.00 0.00 0.00 179.25 179.16 3l8i h ALA 41 N 0.74 0.16 -0.09 0.00 0.00 -1.40 0.24 119.26 118.91 3l8i h ALA 41 Ca 0.05 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3l8i h ALA 41 Cb 0.47 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3l8i h ALA 41 CO 0.02 -0.56 -0.06 1.96 0.00 0.00 0.00 179.25 180.61 3l8i h GLN 42 N -0.10 -0.07 -0.08 0.00 4.20 -0.92 -1.19 115.11 116.95 3l8i h GLN 42 Ca 0.25 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 3l8i h GLN 42 Cb 0.49 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3l8i h GLN 42 CO -0.61 -0.05 -0.20 1.15 -0.67 0.00 0.00 178.83 178.45 3l8i h THR 43 N -0.07 1.19 0.12 -0.54 2.02 0.04 -1.85 112.91 113.82 3l8i h THR 43 Ca 0.06 -0.88 -0.31 0.00 0.77 0.00 0.00 66.41 66.05 3l8i h THR 43 Cb 0.16 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3l8i h THR 43 CO -0.14 0.26 -1.56 -0.07 0.37 0.00 0.00 175.52 174.38 3l8i h LEU 44 N 0.13 0.40 0.08 2.58 3.38 -0.39 -2.66 115.31 118.82 3l8i h LEU 44 Ca 0.02 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.45 3l8i h LEU 44 Cb 0.44 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3l8i h LEU 44 CO 0.03 1.47 -0.25 0.03 0.09 0.00 0.00 178.44 179.81 3l8i h ARG 45 N 0.07 -0.42 -0.97 1.13 3.08 -1.13 -0.01 114.38 116.13 3l8i h ARG 45 Ca -0.25 0.03 0.13 0.00 0.07 0.00 0.00 59.98 59.95 3l8i h ARG 45 Cb 2.02 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 32.09 3l8i h ARG 45 CO 0.16 -0.28 0.62 0.00 -1.07 0.00 0.00 179.97 179.40 3l8i h ALA 46 N 0.34 1.60 -0.10 0.04 0.00 -1.42 -0.11 119.26 119.61 3l8i h ALA 46 Ca 0.04 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3l8i h ALA 46 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3l8i h ALA 46 CO -0.17 0.14 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 3l8i h ALA 47 N 1.56 0.15 -0.55 0.00 0.00 -1.04 -2.16 119.26 117.22 3l8i h ALA 47 Ca 0.49 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3l8i h ALA 47 Cb 0.56 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3l8i h ALA 47 CO -0.25 0.03 0.29 0.74 0.00 0.00 0.00 179.25 180.05 3l8i h PHE 48 N -0.16 0.53 -0.59 0.00 0.04 -0.49 -1.27 116.94 115.01 3l8i h PHE 48 Ca 0.01 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.83 3l8i h PHE 48 Cb 0.68 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 3l8i h PHE 48 CO 0.10 0.26 0.36 0.82 -0.60 0.00 0.00 178.31 179.25 3l8i h ILE 49 N 0.55 1.09 -0.21 -0.55 2.04 -0.97 0.45 117.51 119.90 3l8i h ILE 49 Ca 0.24 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3l8i h ILE 49 Cb 0.14 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3l8i h ILE 49 CO -0.16 0.13 0.10 0.50 0.00 0.00 0.00 178.15 178.72 3l8i h LYS 50 N 0.72 0.30 -0.60 2.37 3.64 -1.22 0.17 116.57 121.95 3l8i h LYS 50 Ca 0.23 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3l8i h LYS 50 Cb -0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3l8i h LYS 50 CO -0.09 0.31 0.31 0.00 -2.27 0.00 0.00 179.45 177.71 3l8i h ALA 51 N 0.97 0.78 -0.08 5.00 0.00 -0.58 -2.35 119.26 122.99 3l8i h ALA 51 Ca 0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3l8i h ALA 51 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3l8i h ALA 51 CO -0.01 0.32 -0.49 1.49 0.00 0.00 0.00 179.25 180.56 3l8i h GLU 52 N 0.82 0.20 -0.55 0.00 4.57 -0.03 0.05 114.58 119.65 3l8i h GLU 52 Ca 0.21 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3l8i h GLU 52 Cb 0.09 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3l8i h GLU 52 CO -0.03 0.65 0.24 -0.22 -1.18 0.00 0.00 179.01 178.47 3l8i h LYS 53 N 0.16 0.81 -0.32 1.92 3.64 -0.63 -2.85 116.57 119.31 3l8i h LYS 53 Ca 0.01 -0.14 -0.18 0.00 -1.27 0.00 0.00 60.65 59.07 3l8i h LYS 53 Cb 0.93 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3l8i h LYS 53 CO 0.07 0.69 -0.49 0.93 -2.27 0.00 0.00 179.45 178.38 3l8i h GLU 54 N 0.75 0.89 -2.18 1.90 5.08 -1.21 -3.40 114.58 116.40 3l8i h GLU 54 Ca 0.19 -0.53 -0.59 0.00 -1.00 0.00 0.00 59.36 57.42 3l8i h GLU 54 Cb 0.17 0.05 -0.41 0.00 0.50 0.00 0.00 28.75 29.06 3l8i h GLU 54 CO -0.02 1.18 -0.75 0.09 -1.00 0.00 0.00 179.01 178.50 3l8i n ASN 55 N -4.02 2.57 -4.64 1.42 3.02 -0.01 -5.09 115.26 108.51 3l8i n ASN 55 Ca -0.04 -3.19 -0.51 0.00 -0.03 0.00 0.00 54.58 50.82 3l8i n ASN 55 Cb 0.60 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 3l8i n ASN 55 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3l8i n PRO 56 N 1.11 1.54 0.00 3.52 -0.02 -1.09 -1.17 135.00 138.89 3l8i n PRO 56 Ca 0.27 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3l8i n PRO 56 Cb 0.44 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3l8i n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3l8i n GLY 57 N 3.27 2.83 0.18 -1.23 0.00 -1.26 -4.99 105.19 104.00 3l8i n GLY 57 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 3l8i n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3l8i h LEU 58 N 0.00 -0.33 -0.98 0.99 5.85 -1.47 -2.23 115.31 117.14 3l8i h LEU 58 Ca 0.00 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.92 3l8i h LEU 58 Cb 0.00 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.01 3l8i h LEU 58 CO 0.00 -0.23 0.57 0.74 -0.34 0.00 0.00 178.44 179.19 3l8i h THR 59 N -0.40 0.66 -0.13 1.05 2.02 -1.93 0.53 112.91 114.72 3l8i h THR 59 Ca -0.04 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3l8i h THR 59 Cb 0.31 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3l8i h THR 59 CO 0.07 0.13 0.08 -0.61 0.37 0.00 0.00 175.52 175.55 3l8i h GLN 60 N 0.69 0.17 -0.82 6.66 5.75 -1.74 -0.38 115.11 125.45 3l8i h GLN 60 Ca 0.58 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 59.07 3l8i h GLN 60 Cb 0.94 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.41 3l8i h GLN 60 CO -0.41 0.16 0.54 -0.44 -2.65 0.00 0.00 178.83 176.03 3l8i h ASP 61 N 0.13 0.93 -0.24 -0.69 3.32 -0.49 -0.98 116.42 118.41 3l8i h ASP 61 Ca 0.05 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3l8i h ASP 61 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3l8i h ASP 61 CO -0.01 0.66 0.13 0.40 -1.72 0.00 0.00 179.24 178.71 3l8i h ILE 62 N 1.09 1.10 -0.48 0.35 2.04 -0.69 -0.83 117.51 120.10 3l8i h ILE 62 Ca 0.31 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3l8i h ILE 62 Cb -0.10 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3l8i h ILE 62 CO -0.08 0.10 0.29 0.40 0.00 0.00 0.00 178.15 178.87 3l8i h ILE 63 N 0.28 1.07 -0.42 -0.67 2.04 -0.76 -1.28 117.51 117.77 3l8i h ILE 63 Ca 0.08 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3l8i h ILE 63 Cb 0.05 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3l8i h ILE 63 CO -0.01 0.11 0.08 0.24 0.00 0.00 0.00 178.15 178.56 3l8i h MET 64 N 0.59 0.64 0.00 2.37 2.86 -0.95 -0.49 114.93 119.95 3l8i h MET 64 Ca 0.19 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3l8i h MET 64 Cb -0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3l8i h MET 64 CO -0.07 0.60 -0.50 0.87 1.06 0.00 0.00 176.91 178.87 3l8i h LYS 65 N 0.62 0.00 -0.08 1.72 1.57 -0.54 -2.28 116.57 117.58 3l8i h LYS 65 Ca 0.14 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3l8i h LYS 65 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3l8i h LYS 65 CO 0.00 0.50 -0.16 0.82 -0.57 0.00 0.00 179.45 180.04 3l8i h ILE 66 N 0.00 1.40 -0.01 1.86 2.04 -0.42 -3.08 117.51 119.31 3l8i h ILE 66 Ca -0.00 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.41 3l8i h ILE 66 Cb 0.92 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3l8i h ILE 66 CO 0.06 0.41 0.00 -0.07 0.00 0.00 0.00 178.15 178.56 3l8i h LEU 67 N -0.22 0.00 -0.63 1.44 3.38 -1.06 -0.82 115.31 117.41 3l8i h LEU 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3l8i h LEU 67 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3l8i h LEU 67 CO 0.04 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.24 3l8i h GLU 68 N 0.00 0.00 -0.61 1.13 5.08 -1.32 -3.03 114.58 115.83 3l8i h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3l8i h GLU 68 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3l8i h GLU 68 CO -0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 3l8i n LYS 69 N -2.42 4.30 -0.35 2.33 4.76 -0.31 -4.63 118.16 121.84 3l8i n LYS 69 Ca 0.03 -3.03 0.02 0.00 -2.87 0.00 0.00 58.31 52.45 3l8i n LYS 69 Cb 0.30 -2.08 0.08 0.00 -1.84 0.00 0.00 35.03 31.49 3l8i n LYS 69 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3l8i h LYS 70 N 4.02 -0.01 -0.36 1.97 1.63 -1.59 -1.05 116.57 121.18 3l8i h LYS 70 Ca 0.00 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.88 3l8i h LYS 70 Cb 1.72 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 33.28 3l8i h LYS 70 CO 0.36 -0.01 -0.13 0.77 -3.45 0.00 0.00 179.45 176.99 3l8i h SER 71 N -0.01 -0.47 0.10 4.20 0.02 -1.89 0.89 113.55 116.39 3l8i h SER 71 Ca 0.39 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.48 3l8i h SER 71 Cb 0.64 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 3l8i h SER 71 CO -0.96 -0.17 -0.17 0.58 -1.14 0.00 0.00 176.83 174.98 3l8i h VAL 72 N -0.06 0.62 0.00 2.27 2.07 -1.63 0.52 116.25 120.04 3l8i h VAL 72 Ca 0.18 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 3l8i h VAL 72 Cb 0.33 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3l8i h VAL 72 CO -0.40 0.00 -0.21 -0.08 0.02 0.00 0.00 177.57 176.90 3l8i h GLU 73 N -0.33 0.00 0.13 1.57 4.57 -0.83 0.24 114.58 119.93 3l8i h GLU 73 Ca 0.02 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.92 3l8i h GLU 73 Cb 0.34 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3l8i h GLU 73 CO -0.09 0.21 -1.23 0.28 -1.18 0.00 0.00 179.01 177.00 3l8i h VAL 74 N 0.00 1.42 -0.90 0.32 2.07 -0.65 -1.75 116.25 116.76 3l8i h VAL 74 Ca -0.00 -2.82 0.03 0.00 0.82 0.00 0.00 66.70 64.72 3l8i h VAL 74 Cb 0.38 2.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 3l8i h VAL 74 CO 0.03 0.83 0.59 -1.13 0.02 0.00 0.00 177.57 177.91 3l8i h ASN 75 N 0.14 0.98 -0.21 0.57 -0.73 0.52 -2.15 115.58 114.70 3l8i h ASN 75 Ca -0.15 -0.01 -0.07 0.00 1.87 0.00 0.00 56.30 57.94 3l8i h ASN 75 Cb 1.93 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 40.29 3l8i h ASN 75 CO 0.21 0.68 -0.14 0.15 -0.37 0.00 0.00 177.43 177.96 3l8i h PHE 76 N 1.15 0.55 -0.84 0.67 3.57 -0.57 -2.28 116.94 119.18 3l8i h PHE 76 Ca 0.36 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3l8i h PHE 76 Cb -0.02 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3l8i h PHE 76 CO -0.01 0.78 0.41 1.15 -2.23 0.00 0.00 178.31 178.40 3l8i h THR 77 N 0.16 1.26 -0.39 4.41 2.02 -1.27 -0.38 112.91 118.72 3l8i h THR 77 Ca 0.04 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 66.59 3l8i h THR 77 Cb 0.66 0.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.17 3l8i h THR 77 CO 0.04 0.31 -0.10 -0.33 0.37 0.00 0.00 175.52 175.80 3l8i h GLU 78 N 1.19 -0.01 -0.66 6.66 5.08 -1.38 -1.42 114.58 124.04 3l8i h GLU 78 Ca 0.29 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 3l8i h GLU 78 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3l8i h GLU 78 CO -0.04 -0.01 0.41 0.77 -1.00 0.00 0.00 179.01 179.15 3l8i h SER 79 N -0.01 0.66 -0.74 1.42 0.02 -0.57 -1.18 113.55 113.16 3l8i h SER 79 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3l8i h SER 79 Cb 0.29 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 3l8i h SER 79 CO -0.40 0.46 0.47 -0.07 -1.14 0.00 0.00 176.83 176.15 3l8i h LEU 80 N 0.80 0.86 -0.63 5.07 4.07 -0.85 -1.61 115.31 123.03 3l8i h LEU 80 Ca 0.27 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 58.10 3l8i h LEU 80 Cb 0.04 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 3l8i h LEU 80 CO -0.11 0.64 0.02 0.25 -1.08 0.00 0.00 178.44 178.16 3l8i h LEU 81 N 1.00 1.07 -1.24 1.67 5.85 -0.78 -1.39 115.31 121.49 3l8i h LEU 81 Ca 0.27 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3l8i h LEU 81 Cb -0.09 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 3l8i h LEU 81 CO -0.06 1.10 -0.09 0.03 -0.34 0.00 0.00 178.44 179.09 3l8i h ARG 82 N 1.00 0.41 0.00 1.25 3.08 -0.86 -2.85 114.38 116.41 3l8i h ARG 82 Ca 0.18 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3l8i h ARG 82 Cb 0.55 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3l8i h ARG 82 CO 0.03 0.51 -0.52 1.98 -1.07 0.00 0.00 179.97 180.90 3l8i h MET 83 N 0.38 0.00 0.00 0.04 4.05 -1.05 -3.27 114.93 115.08 3l8i h MET 83 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3l8i h MET 83 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 3l8i h MET 83 CO 0.02 0.52 0.00 0.00 0.23 0.00 0.00 176.91 177.68 3l8i n ALA 84 N -2.30 1.58 0.24 0.39 0.00 -0.55 -3.31 120.51 116.57 3l8i n ALA 84 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.61 3l8i n ALA 84 Cb 0.63 -1.31 0.59 0.00 0.00 0.00 0.00 19.45 19.37 3l8i n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3l8i h ALA 85 N 2.31 1.12 -2.55 0.00 0.00 -1.69 -3.41 119.26 115.03 3l8i h ALA 85 Ca 0.00 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 54.16 3l8i h ALA 85 Cb 0.28 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 17.66 3l8i h ALA 85 CO 0.00 0.21 -0.88 0.16 0.00 0.00 0.00 179.25 178.74 3l8i s ASP 86 N -6.12 2.30 -0.20 0.00 1.47 -1.21 -4.61 116.67 108.31 3l8i s ASP 86 Ca -0.01 -3.03 -0.07 0.00 1.18 0.00 0.00 52.55 50.63 3l8i s ASP 86 Cb 0.11 -0.65 -0.04 0.00 -0.34 0.00 0.00 42.92 42.01 3l8i s ASP 86 CO 0.61 -0.18 0.05 -0.62 0.68 0.00 0.00 175.17 175.70 3l8i s ASP 87 N 0.00 5.39 -0.06 2.11 2.15 -1.26 -4.99 116.67 120.01 3l8i s ASP 87 Ca 0.28 -0.03 -0.00 0.00 0.43 0.00 0.00 52.55 53.24 3l8i s ASP 87 Cb -0.03 -1.93 -0.04 0.00 -0.30 0.00 0.00 42.92 40.62 3l8i s ASP 87 CO -0.15 0.11 -0.06 0.52 -0.17 0.00 0.00 175.17 175.43 3l8i n VAL 88 N 3.94 0.34 -0.01 1.11 0.31 -1.26 -4.81 118.33 117.93 3l8i n VAL 88 Ca -0.16 -0.12 -0.16 0.00 -0.01 0.00 0.00 64.34 63.88 3l8i n VAL 88 Cb 0.52 -0.86 -0.11 0.00 -0.91 0.00 0.00 33.84 32.49 3l8i n VAL 88 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3l8i h GLU 89 N -0.04 0.33 0.00 5.55 5.08 -2.01 -3.42 114.58 120.07 3l8i h GLU 89 Ca -0.14 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3l8i h GLU 89 Cb 1.19 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3l8i h GLU 89 CO -0.03 1.01 0.00 -1.91 -1.00 0.00 0.00 179.01 177.07 3l8i n GLU 90 N -4.34 0.00 -1.80 2.33 2.13 -1.26 -4.76 120.64 112.94 3l8i n GLU 90 Ca -0.10 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.30 3l8i n GLU 90 Cb 0.58 -0.20 -0.03 0.00 0.27 0.00 0.00 31.44 32.07 3l8i n GLU 90 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3l8i s TYR 91 N -0.04 1.50 0.00 4.31 2.02 -1.26 -4.87 117.35 119.00 3l8i s TYR 91 Ca 0.00 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.19 3l8i s TYR 91 Cb 0.00 -4.03 0.00 0.00 -0.40 0.00 0.00 41.96 37.53 3l8i s TYR 91 CO 0.00 -3.70 0.00 -0.12 -1.57 0.00 0.00 175.55 170.16 3l8i n MET 92 N 8.43 0.00 -2.44 -0.62 0.00 -1.26 -4.72 117.12 116.50 3l8i n MET 92 Ca 0.25 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.55 3l8i n MET 92 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.63 3l8i n MET 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3l8i s ILE 93 N 0.00 3.47 0.13 1.12 1.09 -1.26 -4.96 121.20 120.79 3l8i s ILE 93 Ca 0.00 1.43 0.03 0.00 -1.10 0.00 0.00 60.65 61.01 3l8i s ILE 93 Cb 0.00 -3.91 -0.20 0.00 -1.06 0.00 0.00 42.46 37.28 3l8i s ILE 93 CO 0.00 0.32 1.29 -0.33 -0.10 0.00 0.00 174.94 176.12 3l8i h GLU 94 N 4.04 0.12 -6.46 2.79 4.39 -1.97 -3.47 114.58 114.02 3l8i h GLU 94 Ca -0.46 -0.18 -0.54 0.00 0.34 0.00 0.00 59.36 58.52 3l8i h GLU 94 Cb 1.21 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.93 3l8i h GLU 94 CO 0.68 1.02 0.78 -0.98 -1.16 0.00 0.00 179.01 179.36 3l8i s ARG 95 N -2.88 4.30 0.00 2.33 1.70 -1.26 -4.92 118.95 118.22 3l8i s ARG 95 Ca -0.01 2.02 0.15 0.00 -0.47 0.00 0.00 55.73 57.42 3l8i s ARG 95 Cb 0.09 -3.43 0.65 0.00 -0.57 0.00 0.00 34.95 31.70 3l8i s ARG 95 CO 0.84 -0.51 1.48 -2.30 -1.08 0.00 0.00 175.30 173.72 3l8i n PRO 96 N 4.71 0.02 -1.51 3.89 -0.02 -1.26 -4.31 135.00 136.51 3l8i n PRO 96 Ca 0.12 0.23 -0.48 0.00 -2.02 0.00 0.00 63.50 61.36 3l8i n PRO 96 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 3l8i n PRO 96 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3l8i n GLU 97 N -1.48 0.70 -0.25 -0.52 4.71 -1.26 -4.61 120.64 117.92 3l8i n GLU 97 Ca 0.04 0.25 0.03 0.00 -0.01 0.00 0.00 57.16 57.47 3l8i n GLU 97 Cb 0.17 -1.51 0.16 0.00 -1.01 0.00 0.00 31.44 29.25 3l8i n GLU 97 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3l8i h PRO 98 N 1.99 0.55 -0.64 3.49 0.13 -1.98 0.10 132.00 135.64 3l8i h PRO 98 Ca -0.37 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.75 3l8i h PRO 98 Cb 1.39 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 3l8i h PRO 98 CO 0.62 0.36 0.41 0.93 -0.23 0.00 0.00 178.00 180.09 3l8i h GLU 99 N 0.56 0.80 -0.22 0.86 3.07 -1.93 0.21 114.58 117.92 3l8i h GLU 99 Ca 0.38 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.06 3l8i h GLU 99 Cb 0.46 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3l8i h GLU 99 CO -0.31 0.53 -0.38 0.74 -1.40 0.00 0.00 179.01 178.18 3l8i h PHE 100 N 0.82 0.81 -0.22 4.33 0.04 -1.62 -1.88 116.94 119.22 3l8i h PHE 100 Ca 0.25 -0.28 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 3l8i h PHE 100 Cb -0.03 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 3l8i h PHE 100 CO -0.04 1.04 -0.26 1.96 -0.60 0.00 0.00 178.31 180.41 3l8i h GLN 101 N 0.35 0.42 -0.02 1.51 4.20 -0.72 -2.46 115.11 118.40 3l8i h GLN 101 Ca 0.02 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 3l8i h GLN 101 Cb 0.97 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3l8i h GLN 101 CO 0.09 0.65 -0.51 0.22 -0.67 0.00 0.00 178.83 178.61 3l8i h ASP 102 N 0.37 0.05 -0.41 1.46 3.58 -0.58 -2.69 116.42 118.20 3l8i h ASP 102 Ca 0.06 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 3l8i h ASP 102 Cb 0.65 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 3l8i h ASP 102 CO 0.05 0.54 0.13 0.25 -2.88 0.00 0.00 179.24 177.33 3l8i h LEU 103 N 0.03 0.59 0.19 2.28 5.85 -0.90 -1.57 115.31 121.79 3l8i h LEU 103 Ca -0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3l8i h LEU 103 Cb 0.91 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3l8i h LEU 103 CO 0.07 0.63 -0.20 0.78 -0.34 0.00 0.00 178.44 179.38 3l8i h ASN 104 N 0.51 -0.53 0.57 1.25 2.35 -1.28 -0.75 115.58 117.71 3l8i h ASN 104 Ca 0.13 0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 3l8i h ASN 104 Cb 0.25 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3l8i h ASN 104 CO -0.00 -0.29 -0.55 -0.33 -1.65 0.00 0.00 177.43 174.60 3l8i h GLU 105 N -0.42 0.00 -0.09 0.81 5.08 -1.47 0.72 114.58 119.21 3l8i h GLU 105 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3l8i h GLU 105 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3l8i h GLU 105 CO -0.05 0.55 -0.77 0.87 -1.00 0.00 0.00 179.01 178.61 3l8i h LYS 106 N 0.00 0.51 0.45 2.33 1.79 -1.25 -2.11 116.57 118.29 3l8i h LYS 106 Ca -0.01 -0.43 -0.02 0.00 -2.18 0.00 0.00 60.65 58.01 3l8i h LYS 106 Cb 0.99 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 3l8i h LYS 106 CO 0.07 1.06 -0.22 0.00 -1.08 0.00 0.00 179.45 179.29 3l8i h ALA 107 N 0.81 -0.60 -0.54 3.86 0.00 -0.72 -2.38 119.26 119.69 3l8i h ALA 107 Ca -0.04 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3l8i h ALA 107 Cb 1.37 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 3l8i h ALA 107 CO 0.14 -0.82 0.20 -0.09 0.00 0.00 0.00 179.25 178.68 3l8i h ARG 108 N -0.65 0.37 -0.50 0.00 2.43 -0.90 -0.68 114.38 114.44 3l8i h ARG 108 Ca -0.06 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3l8i h ARG 108 Cb 0.49 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3l8i h ARG 108 CO 0.10 0.24 0.17 0.00 -1.51 0.00 0.00 179.97 178.97 3l8i h ALA 109 N 1.37 1.36 -0.37 2.80 0.00 -1.36 0.87 119.26 123.93 3l8i h ALA 109 Ca 0.27 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3l8i h ALA 109 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3l8i h ALA 109 CO -0.27 0.47 -0.27 1.25 0.00 0.00 0.00 179.25 180.43 3l8i h LEU 110 N 0.72 0.87 -0.28 0.00 5.85 -0.73 -1.73 115.31 120.01 3l8i h LEU 110 Ca 0.17 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3l8i h LEU 110 Cb 0.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3l8i h LEU 110 CO -0.01 1.13 0.05 0.11 -0.34 0.00 0.00 178.44 179.38 3l8i h LYS 111 N 0.63 0.47 -0.20 1.25 1.57 -0.71 -0.45 116.57 119.12 3l8i h LYS 111 Ca 0.07 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3l8i h LYS 111 Cb 0.84 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 3l8i h LYS 111 CO 0.07 0.57 -0.02 1.96 -0.57 0.00 0.00 179.45 181.46 3l8i h GLN 112 N 0.29 0.03 -0.15 3.15 1.08 -0.80 0.12 115.11 118.82 3l8i h GLN 112 Ca 0.09 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3l8i h GLN 112 Cb 0.33 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3l8i h GLN 112 CO 0.00 0.02 0.00 0.97 -0.95 0.00 0.00 178.83 178.88 3l8i h ILE 113 N 0.03 1.25 -0.91 2.54 6.09 -1.19 -2.56 117.51 122.76 3l8i h ILE 113 Ca 0.10 -0.82 0.11 0.00 -1.37 0.00 0.00 64.86 62.87 3l8i h ILE 113 Cb 0.13 1.50 -0.07 0.00 0.47 0.00 0.00 36.82 38.85 3l8i h ILE 113 CO -0.18 0.24 0.59 -0.07 -3.07 0.00 0.00 178.15 175.65 3l8i h LEU 114 N 0.01 0.80 -1.48 2.19 3.38 -0.91 -2.35 115.31 116.95 3l8i h LEU 114 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3l8i h LEU 114 Cb 0.36 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3l8i h LEU 114 CO 0.01 0.45 -0.07 0.77 0.09 0.00 0.00 178.44 179.69 3l8i h SER 115 N 0.87 0.00 -0.05 -0.43 4.64 -0.38 -2.99 113.55 115.21 3l8i h SER 115 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3l8i h SER 115 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3l8i h SER 115 CO -0.20 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.12 3l8i n LYS 116 N -3.22 1.83 -0.34 4.77 5.02 -0.89 -4.01 118.16 121.33 3l8i n LYS 116 Ca 0.00 -1.21 0.09 0.00 -2.02 0.00 0.00 58.31 55.17 3l8i n LYS 116 Cb 0.32 -1.47 0.26 0.00 -0.02 0.00 0.00 35.03 34.12 3l8i n LYS 116 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3l8i h ILE 117 N 2.85 0.80 0.00 -0.18 2.04 -1.57 -2.02 117.51 119.42 3l8i h ILE 117 Ca 0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3l8i h ILE 117 Cb 0.61 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3l8i h ILE 117 CO 0.00 0.15 -0.03 -0.65 0.00 0.00 0.00 178.15 177.61 3l8i h PRO 118 N 0.82 0.00 -0.56 2.37 0.11 -1.85 -1.28 132.00 131.61 3l8i h PRO 118 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3l8i h PRO 118 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3l8i h PRO 118 CO -0.33 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 177.25 3l8i n ASP 119 N -3.45 3.76 0.00 -2.05 8.00 -0.77 -4.32 116.55 117.73 3l8i n ASP 119 Ca -0.02 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.34 3l8i n ASP 119 Cb 0.15 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 3l8i n ASP 119 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3l8i n GLU 120 N 1.04 2.62 -0.19 -1.24 1.02 -0.87 -4.88 120.64 118.14 3l8i n GLU 120 Ca 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.35 3l8i n GLU 120 Cb 0.62 -0.77 0.26 0.00 -0.02 0.00 0.00 31.44 31.53 3l8i n GLU 120 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3l8i h ILE 121 N 0.00 1.19 0.00 -3.67 2.10 -1.44 -2.82 117.51 112.86 3l8i h ILE 121 Ca 0.00 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.59 3l8i h ILE 121 Cb 0.11 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 35.99 3l8i h ILE 121 CO 0.00 0.18 0.00 0.59 -1.08 0.00 0.00 178.15 177.84 3l8i n ASN 122 N -4.42 0.53 -4.29 2.19 3.02 -1.26 -4.44 115.26 106.59 3l8i n ASN 122 Ca 0.07 0.62 -0.36 0.00 -0.03 0.00 0.00 54.58 54.89 3l8i n ASN 122 Cb 0.04 -0.74 -0.13 0.00 -0.61 0.00 0.00 39.78 38.34 3l8i n ASN 122 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3l8i s ASP 123 N -3.99 4.67 0.17 6.41 -1.08 -1.06 -5.03 116.67 116.76 3l8i s ASP 123 Ca 0.05 -0.68 -0.15 0.00 -0.52 0.00 0.00 52.55 51.24 3l8i s ASP 123 Cb 0.10 -1.78 0.12 0.00 -1.46 0.00 0.00 42.92 39.90 3l8i s ASP 123 CO 0.38 -0.13 1.70 0.03 0.52 0.00 0.00 175.17 177.68 3l8i h ARG 124 N 8.13 0.12 0.62 4.34 2.47 -1.83 -2.28 114.38 125.95 3l8i h ARG 124 Ca -0.34 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.34 3l8i h ARG 124 Cb 1.13 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.43 3l8i h ARG 124 CO 0.59 0.08 -0.30 0.28 0.56 0.00 0.00 179.97 181.19 3l8i h VAL 125 N 0.13 0.00 -0.02 2.04 2.07 -1.95 0.29 116.25 118.80 3l8i h VAL 125 Ca 0.20 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.64 3l8i h VAL 125 Cb 0.28 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3l8i h VAL 125 CO -0.32 0.00 0.04 -0.09 0.02 0.00 0.00 177.57 177.22 3l8i h ARG 126 N -0.93 0.00 0.07 1.57 2.43 -1.88 -0.39 114.38 115.26 3l8i h ARG 126 Ca -0.09 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.84 3l8i h ARG 126 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3l8i h ARG 126 CO 0.14 0.00 -1.09 0.35 -1.51 0.00 0.00 179.97 177.86 3l8i h PHE 127 N 0.00 0.53 -0.57 2.20 3.57 -1.06 -1.84 116.94 119.77 3l8i h PHE 127 Ca 0.01 -0.33 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 3l8i h PHE 127 Cb 0.09 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3l8i h PHE 127 CO 0.00 1.20 0.23 -0.07 -2.23 0.00 0.00 178.31 177.44 3l8i h LEU 128 N 0.14 0.75 -0.56 0.59 -0.00 0.76 -1.63 115.31 115.36 3l8i h LEU 128 Ca -0.11 -0.09 -0.13 0.00 -0.00 0.00 0.00 57.88 57.56 3l8i h LEU 128 Cb 1.77 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 42.23 3l8i h LEU 128 CO 0.18 0.67 -0.20 -0.61 -0.00 0.00 0.00 178.44 178.48 3l8i h GLN 129 N 0.81 0.95 -0.20 1.13 5.75 -1.36 -3.02 115.11 119.16 3l8i h GLN 129 Ca 0.19 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 3l8i h GLN 129 Cb 0.16 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3l8i h GLN 129 CO -0.02 1.05 0.10 1.15 -2.65 0.00 0.00 178.83 178.46 3l8i h THR 130 N 0.82 1.14 -0.74 2.39 2.02 -0.93 0.03 112.91 117.64 3l8i h THR 130 Ca 0.11 -0.40 0.10 0.00 0.77 0.00 0.00 66.41 67.00 3l8i h THR 130 Cb 0.76 1.03 -0.08 0.00 -1.74 0.00 0.00 68.15 68.12 3l8i h THR 130 CO 0.06 0.13 0.36 0.40 0.37 0.00 0.00 175.52 176.85 3l8i h ILE 131 N 0.20 0.82 -0.26 3.11 2.04 -1.35 0.60 117.51 122.67 3l8i h ILE 131 Ca 0.07 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3l8i h ILE 131 Cb 0.12 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3l8i h ILE 131 CO -0.01 0.11 0.11 0.11 0.00 0.00 0.00 178.15 178.47 3l8i h LYS 132 N 0.60 0.38 -0.74 2.37 1.57 -1.37 0.16 116.57 119.54 3l8i h LYS 132 Ca 0.37 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 3l8i h LYS 132 Cb 0.42 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3l8i h LYS 132 CO -0.29 0.40 0.48 -0.44 -0.57 0.00 0.00 179.45 179.03 3l8i h ASP 133 N 0.28 0.81 0.65 0.86 5.19 -0.11 0.58 116.42 124.67 3l8i h ASP 133 Ca 0.09 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 3l8i h ASP 133 Cb 0.15 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.48 3l8i h ASP 133 CO -0.01 0.57 -0.31 0.40 -3.12 0.00 0.00 179.24 176.77 3l8i h ILE 134 N 0.95 0.36 -0.85 0.35 2.04 0.52 0.30 117.51 121.18 3l8i h ILE 134 Ca 0.29 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 66.27 3l8i h ILE 134 Cb -0.04 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 36.31 3l8i h ILE 134 CO -0.09 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.51 3l8i h ALA 135 N -0.53 1.29 -0.66 1.87 0.00 -0.56 0.40 119.26 121.07 3l8i h ALA 135 Ca -0.09 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3l8i h ALA 135 Cb 0.67 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3l8i h ALA 135 CO 0.15 -0.08 0.40 1.03 0.00 0.00 0.00 179.25 180.74 3l8i h SER 136 N 0.64 0.80 -0.05 0.00 0.87 -0.56 -1.03 113.55 114.21 3l8i h SER 136 Ca 0.47 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 3l8i h SER 136 Cb 0.65 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3l8i h SER 136 CO -0.36 0.63 -0.06 0.00 -0.53 0.00 0.00 176.83 176.51 3l8i h ALA 137 N 1.20 0.08 -0.69 6.23 0.00 0.21 0.25 119.26 126.54 3l8i h ALA 137 Ca 0.24 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3l8i h ALA 137 Cb -0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 3l8i h ALA 137 CO -0.04 -0.11 0.14 0.82 0.00 0.00 0.00 179.25 180.05 3l8i h ILE 138 N -0.32 0.53 0.74 0.00 2.04 -0.34 0.24 117.51 120.39 3l8i h ILE 138 Ca 0.01 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3l8i h ILE 138 Cb 0.58 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3l8i h ILE 138 CO 0.01 0.04 -0.45 0.50 0.00 0.00 0.00 178.15 178.26 3l8i h LYS 139 N 0.24 -1.07 -0.45 2.37 3.64 -1.02 -0.29 116.57 119.98 3l8i h LYS 139 Ca 0.38 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.97 3l8i h LYS 139 Cb 0.64 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 3l8i h LYS 139 CO -0.50 -0.71 0.34 0.93 -2.27 0.00 0.00 179.45 177.23 3l8i h GLU 140 N -1.11 0.00 -0.05 1.90 5.08 -0.35 -0.20 114.58 119.85 3l8i h GLU 140 Ca -0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3l8i h GLU 140 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3l8i h GLU 140 CO 0.10 0.00 -0.11 1.25 -1.00 0.00 0.00 179.01 179.25 3l8i h LEU 141 N 0.00 0.18 -0.57 1.33 5.85 -0.23 -2.94 115.31 118.92 3l8i h LEU 141 Ca 0.21 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 58.43 3l8i h LEU 141 Cb 0.89 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 3l8i h LEU 141 CO -0.00 0.72 0.24 -0.07 -0.34 0.00 0.00 178.44 178.99 3l8i h LEU 142 N -0.36 0.29 -1.15 2.25 3.38 0.48 0.69 115.31 120.89 3l8i h LEU 142 Ca 0.00 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3l8i h LEU 142 Cb 0.70 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 3l8i h LEU 142 CO 0.02 0.19 0.60 0.44 0.09 0.00 0.00 178.44 179.77 3l8i h ASP 143 N 0.45 0.83 1.22 -0.43 3.32 -1.17 0.47 116.42 121.12 3l8i h ASP 143 Ca 0.28 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.19 3l8i h ASP 143 Cb 0.28 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3l8i h ASP 143 CO -0.25 0.48 -0.79 0.00 -1.72 0.00 0.00 179.24 176.96 3l8i h THR 144 N 0.91 1.31 -0.37 0.35 1.03 -1.07 -0.90 112.91 114.17 3l8i h THR 144 Ca 0.44 -2.86 -0.11 0.00 -0.01 0.00 0.00 66.41 63.87 3l8i h THR 144 Cb 0.45 2.64 -0.01 0.00 -1.07 0.00 0.00 68.15 70.16 3l8i h THR 144 CO -0.20 0.75 -0.21 0.58 -0.01 0.00 0.00 175.52 176.43 3l8i h VAL 145 N 0.00 1.28 0.00 0.00 2.07 -0.17 -2.88 116.25 116.55 3l8i h VAL 145 Ca -0.01 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.06 3l8i h VAL 145 Cb 1.60 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 3l8i h VAL 145 CO 0.10 0.44 -0.51 0.78 0.02 0.00 0.00 177.57 178.41 3l8i h ASN 146 N 0.59 0.00 1.59 0.57 2.35 -0.84 -3.12 115.58 116.73 3l8i h ASN 146 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3l8i h ASN 146 Cb 0.76 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 3l8i h ASN 146 CO 0.06 0.51 -0.07 0.78 -1.65 0.00 0.00 177.43 177.06 3l8i h ASN 147 N 0.00 0.00 0.30 5.81 -0.26 -1.13 -3.24 115.58 117.06 3l8i h ASN 147 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3l8i h ASN 147 Cb 1.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 3l8i h ASN 147 CO 0.07 0.07 -0.95 0.55 -1.06 0.00 0.00 177.43 176.11 3l8i n VAL 148 N -3.14 0.07 -0.31 2.81 3.14 -1.09 -4.32 118.33 115.50 3l8i n VAL 148 Ca 0.03 -0.13 0.14 0.00 -2.96 0.00 0.00 64.34 61.41 3l8i n VAL 148 Cb 0.48 0.44 0.37 0.00 -1.06 0.00 0.00 33.84 34.08 3l8i n VAL 148 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 3l8i h PHE 149 N 0.00 0.88 0.00 1.45 0.04 -1.57 -2.23 116.94 115.52 3l8i h PHE 149 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3l8i h PHE 149 Cb 0.62 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 3l8i h PHE 149 CO 0.00 0.26 -0.02 1.57 -0.60 0.00 0.00 178.31 179.52 3l8i h LYS 150 N 0.69 0.00 -0.00 1.51 2.10 -1.81 -2.42 116.57 116.63 3l8i h LYS 150 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 3l8i h LYS 150 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 3l8i h LYS 150 CO -0.27 0.02 -0.02 1.63 -2.00 0.00 0.00 179.45 178.80 3l8i n LYS 151 N -3.15 0.86 -4.62 0.07 4.76 -0.84 -4.72 118.16 110.52 3l8i n LYS 151 Ca -0.01 -0.15 -0.33 0.00 -2.87 0.00 0.00 58.31 54.95 3l8i n LYS 151 Cb 0.22 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.79 3l8i n LYS 151 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3l8i s TYR 152 N -2.24 2.91 -0.19 2.13 1.51 -0.91 -5.07 117.35 115.49 3l8i s TYR 152 Ca 0.38 -0.25 -0.42 0.00 -1.01 0.00 0.00 57.07 55.77 3l8i s TYR 152 Cb 0.21 -1.81 -0.19 0.00 -0.11 0.00 0.00 41.96 40.06 3l8i s TYR 152 CO 0.41 0.08 1.34 0.94 -1.11 0.00 0.00 175.55 177.21 3l8i n GLN 153 N 2.93 0.23 0.23 -0.62 -0.06 -1.26 -4.78 117.38 114.05 3l8i n GLN 153 Ca -0.18 0.08 0.16 0.00 -2.00 0.00 0.00 57.00 55.06 3l8i n GLN 153 Cb 0.53 -1.62 0.77 0.00 -4.06 0.00 0.00 30.24 25.86 3l8i n GLN 153 CO 0.00 0.00 0.00 0.10 -0.20 0.00 0.00 177.06 176.96 3l8i h TYR 154 N 4.24 0.00 -0.53 3.69 -0.00 -1.91 0.22 116.97 122.68 3l8i h TYR 154 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 3l8i h TYR 154 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.12 3l8i h TYR 154 CO 0.62 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.82 3l8i n GLN 155 N -2.62 2.28 -3.00 0.10 6.02 -1.26 -4.46 117.38 114.43 3l8i n GLN 155 Ca -0.01 -1.93 -0.16 0.00 -0.01 0.00 0.00 57.00 54.89 3l8i n GLN 155 Cb 0.12 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 3l8i n GLN 155 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3l8i n ASN 156 N 1.04 1.39 0.00 1.08 2.85 0.78 -4.83 115.26 117.57 3l8i n ASN 156 Ca 0.18 -3.00 0.00 0.00 -0.11 0.00 0.00 54.58 51.65 3l8i n ASN 156 Cb 0.46 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.90 3l8i n ASN 156 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3l8i n ARG 157 N 0.12 -0.01 -0.19 1.20 1.74 -1.26 -4.66 116.66 113.61 3l8i n ARG 157 Ca 0.21 -0.39 -0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3l8i n ARG 157 Cb 0.68 -0.72 0.09 0.00 -1.02 0.00 0.00 32.46 31.50 3l8i n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3l8i h ARG 158 N 0.00 0.11 -0.12 5.56 3.08 -1.93 0.11 114.38 121.20 3l8i h ARG 158 Ca 0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3l8i h ARG 158 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3l8i h ARG 158 CO 0.00 0.07 -0.43 0.00 -1.07 0.00 0.00 179.97 178.54 3l8i h ALA 159 N 1.53 1.04 0.05 0.04 0.00 -1.99 -2.03 119.26 117.89 3l8i h ALA 159 Ca 0.30 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3l8i h ALA 159 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3l8i h ALA 159 CO -0.50 0.61 -0.02 -0.07 0.00 0.00 0.00 179.25 179.27 3l8i h LEU 160 N 0.24 -0.06 -1.13 0.00 -0.00 -1.53 -2.22 115.31 110.62 3l8i h LEU 160 Ca 0.02 -0.37 -0.05 0.00 -0.00 0.00 0.00 57.88 57.47 3l8i h LEU 160 Cb 0.86 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 3l8i h LEU 160 CO 0.07 0.35 0.03 -0.08 -0.00 0.00 0.00 178.44 178.80 3l8i h GLU 161 N -0.47 0.64 -0.37 1.13 4.57 -0.85 -1.07 114.58 118.15 3l8i h GLU 161 Ca -0.01 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 57.87 3l8i h GLU 161 Cb 0.42 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3l8i h GLU 161 CO 0.01 0.64 -0.40 1.25 -1.18 0.00 0.00 179.01 179.33 3l8i h HIS 162 N 0.61 1.12 -0.59 0.92 2.76 -1.39 -2.27 115.15 116.29 3l8i h HIS 162 Ca 0.13 -0.34 -0.10 0.00 -2.20 0.00 0.00 60.37 57.86 3l8i h HIS 162 Cb 0.34 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 3l8i h HIS 162 CO 0.01 1.17 -0.01 0.37 -1.30 0.00 0.00 177.93 178.17 3l8i h GLN 163 N 0.74 1.05 -0.70 5.26 5.75 -1.13 -1.54 115.11 124.54 3l8i h GLN 163 Ca 0.06 -0.33 0.07 0.00 -0.15 0.00 0.00 58.65 58.29 3l8i h GLN 163 Cb 1.00 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.39 3l8i h GLN 163 CO 0.10 1.03 0.38 -0.22 -2.65 0.00 0.00 178.83 177.47 3l8i h LYS 164 N 0.95 0.66 0.20 1.69 3.64 -1.08 -0.81 116.57 121.82 3l8i h LYS 164 Ca 0.17 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3l8i h LYS 164 Cb 0.57 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3l8i h LYS 164 CO 0.03 0.44 -0.09 0.87 -2.27 0.00 0.00 179.45 178.42 3l8i h LYS 165 N 0.68 -0.26 -0.72 1.90 1.57 -1.09 -1.56 116.57 117.09 3l8i h LYS 165 Ca 0.33 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.26 3l8i h LYS 165 Cb 0.26 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.49 3l8i h LYS 165 CO -0.21 -0.04 -0.22 0.93 -0.57 0.00 0.00 179.45 179.33 3l8i h GLU 166 N -0.43 -0.03 -0.24 3.15 4.39 -0.97 0.86 114.58 121.31 3l8i h GLU 166 Ca -0.03 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.70 3l8i h GLU 166 Cb 0.33 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3l8i h GLU 166 CO 0.04 -0.02 0.07 0.35 -1.16 0.00 0.00 179.01 178.29 3l8i h PHE 167 N -0.03 0.12 -0.32 4.33 3.57 -0.87 -1.16 116.94 122.58 3l8i h PHE 167 Ca 0.33 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.86 3l8i h PHE 167 Cb 0.54 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3l8i h PHE 167 CO -0.60 0.05 0.19 0.28 -2.23 0.00 0.00 178.31 176.00 3l8i h VAL 168 N 0.17 1.05 -0.45 1.41 2.07 -0.16 0.23 116.25 120.57 3l8i h VAL 168 Ca 0.11 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.58 3l8i h VAL 168 Cb 0.09 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 3l8i h VAL 168 CO -0.12 0.07 -0.05 0.11 0.02 0.00 0.00 177.57 177.59 3l8i h LYS 169 N 0.39 0.05 0.00 1.57 1.57 -0.58 0.67 116.57 120.25 3l8i h LYS 169 Ca 0.12 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3l8i h LYS 169 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3l8i h LYS 169 CO -0.05 0.04 -0.39 1.88 -0.57 0.00 0.00 179.45 180.36 3l8i h TYR 170 N 0.06 0.00 -0.04 -1.35 0.05 -0.64 0.13 116.97 115.18 3l8i h TYR 170 Ca 0.22 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.83 3l8i h TYR 170 Cb 0.34 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3l8i h TYR 170 CO -0.34 0.39 -0.75 1.03 -1.05 0.00 0.00 178.16 177.45 3l8i h SER 171 N 0.00 0.33 -0.20 3.88 0.87 0.90 -0.78 113.55 118.55 3l8i h SER 171 Ca -0.00 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 3l8i h SER 171 Cb 0.86 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 3l8i h SER 171 CO 0.05 0.96 0.06 0.11 -0.53 0.00 0.00 176.83 177.48 3l8i h LYS 172 N 0.18 0.30 -0.40 2.24 1.57 0.83 -2.00 116.57 119.29 3l8i h LYS 172 Ca -0.03 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3l8i h LYS 172 Cb 1.32 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 3l8i h LYS 172 CO 0.12 0.40 0.18 1.03 -0.57 0.00 0.00 179.45 180.61 3l8i h SER 173 N 0.15 0.24 -0.60 0.86 0.87 -0.66 0.28 113.55 114.70 3l8i h SER 173 Ca 0.06 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3l8i h SER 173 Cb 0.22 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.12 3l8i h SER 173 CO -0.00 0.18 0.32 0.15 -0.53 0.00 0.00 176.83 176.95 3l8i h PHE 174 N 0.37 0.60 -0.58 2.24 3.57 -1.10 0.29 116.94 122.32 3l8i h PHE 174 Ca 0.17 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3l8i h PHE 174 Cb 0.11 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3l8i h PHE 174 CO -0.12 0.29 0.11 0.77 -2.23 0.00 0.00 178.31 177.14 3l8i h SER 175 N 0.61 0.91 0.47 0.41 0.02 -0.84 -0.81 113.55 114.33 3l8i h SER 175 Ca 0.26 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3l8i h SER 175 Cb 0.15 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3l8i h SER 175 CO -0.16 0.93 -0.25 0.44 -1.14 0.00 0.00 176.83 176.64 3l8i h ASP 176 N 0.86 0.00 0.52 3.07 3.45 -0.44 -2.22 116.42 121.66 3l8i h ASP 176 Ca 0.18 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.48 3l8i h ASP 176 Cb 0.39 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3l8i h ASP 176 CO 0.01 0.25 -0.72 0.74 -1.57 0.00 0.00 179.24 177.96 3l8i h THR 177 N 0.00 1.45 0.32 0.35 2.02 0.12 -3.06 112.91 114.11 3l8i h THR 177 Ca -0.00 -2.29 -0.02 0.00 0.77 0.00 0.00 66.41 64.87 3l8i h THR 177 Cb 0.56 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3l8i h THR 177 CO 0.03 0.67 -0.15 -0.07 0.37 0.00 0.00 175.52 176.37 3l8i h LEU 178 N 0.11 -0.36 -0.75 2.58 -0.00 -0.57 -2.37 115.31 113.95 3l8i h LEU 178 Ca -0.02 -0.11 0.17 0.00 -0.00 0.00 0.00 57.88 57.92 3l8i h LEU 178 Cb 1.27 0.09 -0.13 0.00 -0.00 0.00 0.00 40.66 41.89 3l8i h LEU 178 CO 0.11 -0.10 -0.02 0.11 -0.00 0.00 0.00 178.44 178.54 3l8i h LYS 179 N -0.62 0.08 -0.08 1.13 1.57 -1.52 0.16 116.57 117.29 3l8i h LYS 179 Ca -0.04 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3l8i h LYS 179 Cb 0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3l8i h LYS 179 CO 0.07 0.06 -0.27 1.79 -0.57 0.00 0.00 179.45 180.53 3l8i h THR 180 N 0.09 1.23 -0.50 -0.16 1.35 -1.51 -2.67 112.91 110.73 3l8i h THR 180 Ca 0.41 -1.07 -0.07 0.00 -0.55 0.00 0.00 66.41 65.13 3l8i h THR 180 Cb 0.71 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 3l8i h THR 180 CO -0.68 0.32 0.03 0.22 -0.25 0.00 0.00 175.52 175.15 3l8i h TYR 181 N 0.13 0.87 0.00 4.73 3.20 -0.15 0.50 116.97 126.26 3l8i h TYR 181 Ca 0.02 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3l8i h TYR 181 Cb 0.55 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3l8i h TYR 181 CO 0.01 0.78 0.00 1.19 -1.64 0.00 0.00 178.16 178.50 3l8i n PHE 182 N -4.22 0.00 -0.09 -3.82 3.72 -0.94 -0.53 117.46 111.57 3l8i n PHE 182 Ca 0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.25 3l8i n PHE 182 Cb 0.29 -0.44 -0.07 0.00 -0.94 0.00 0.00 39.48 38.32 3l8i n PHE 182 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3l8i n LYS 183 N -1.44 0.40 0.05 -1.08 5.02 -1.05 -4.83 118.16 115.24 3l8i n LYS 183 Ca 0.05 0.15 -0.02 0.00 -2.02 0.00 0.00 58.31 56.47 3l8i n LYS 183 Cb 0.18 -1.21 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 3l8i n LYS 183 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3l8i h ASP 184 N -0.45 -0.11 0.00 4.39 3.32 -0.89 -3.48 116.42 119.20 3l8i h ASP 184 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3l8i h ASP 184 Cb 1.47 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.05 3l8i h ASP 184 CO -0.21 -0.05 0.00 0.61 -1.72 0.00 0.00 179.24 177.87 3l8i n GLY 185 N -0.04 0.58 3.52 2.75 0.00 0.30 -5.04 105.19 107.26 3l8i n GLY 185 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3l8i n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l8i s LYS 186 N -1.00 3.28 0.35 1.61 1.02 -1.26 -4.90 119.74 118.84 3l8i s LYS 186 Ca 0.00 -0.69 0.08 0.00 0.02 0.00 0.00 55.97 55.38 3l8i s LYS 186 Cb 0.00 -4.47 0.66 0.00 -0.52 0.00 0.00 37.83 33.50 3l8i s LYS 186 CO 0.00 -2.04 1.85 0.00 -0.92 0.00 0.00 175.35 174.24 3l8i h ALA 187 N 9.77 1.38 -0.88 5.17 0.00 -1.96 -3.17 119.26 129.55 3l8i h ALA 187 Ca -0.16 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.62 3l8i h ALA 187 Cb 1.05 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3l8i h ALA 187 CO 1.27 0.43 0.57 -0.84 0.00 0.00 0.00 179.25 180.68 3l8i h ILE 188 N 0.27 0.89 -0.93 0.00 3.07 -1.98 0.02 117.51 118.86 3l8i h ILE 188 Ca 0.05 -0.26 0.17 0.00 1.55 0.00 0.00 64.86 66.37 3l8i h ILE 188 Cb 0.48 0.06 -0.08 0.00 -0.27 0.00 0.00 36.82 37.01 3l8i h ILE 188 CO 0.03 0.14 0.59 0.78 -1.05 0.00 0.00 178.15 178.65 3l8i h ASN 189 N 0.77 0.62 0.25 2.16 2.35 -1.96 0.21 115.58 119.98 3l8i h ASN 189 Ca 0.43 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 3l8i h ASN 189 Cb 0.58 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3l8i h ASN 189 CO -0.19 0.28 -0.12 0.58 -1.65 0.00 0.00 177.43 176.33 3l8i h VAL 190 N 0.64 0.68 -0.56 2.81 2.07 -1.19 -1.94 116.25 118.76 3l8i h VAL 190 Ca 0.49 -0.88 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3l8i h VAL 190 Cb 0.88 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 3l8i h VAL 190 CO -0.24 0.16 0.13 -0.26 0.02 0.00 0.00 177.57 177.38 3l8i h PHE 191 N -0.87 0.22 0.22 1.57 0.04 -1.09 0.19 116.94 117.22 3l8i h PHE 191 Ca -0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3l8i h PHE 191 Cb 0.51 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 3l8i h PHE 191 CO 0.05 -0.00 -0.13 0.28 -0.60 0.00 0.00 178.31 177.91 3l8i h VAL 192 N 0.27 0.71 -0.58 -0.55 2.07 -0.66 -1.59 116.25 115.93 3l8i h VAL 192 Ca 0.29 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 3l8i h VAL 192 Cb 0.40 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3l8i h VAL 192 CO -0.36 0.00 0.18 -1.28 0.02 0.00 0.00 177.57 176.13 3l8i h SER 193 N -0.34 0.80 0.51 0.57 0.87 -0.84 -1.49 113.55 113.63 3l8i h SER 193 Ca -0.02 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 3l8i h SER 193 Cb 0.29 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3l8i h SER 193 CO 0.02 0.76 -0.53 0.00 -0.53 0.00 0.00 176.83 176.55 3l8i h ALA 194 N 1.35 1.12 -0.07 6.23 0.00 -0.53 -0.81 119.26 126.55 3l8i h ALA 194 Ca 0.19 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3l8i h ALA 194 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3l8i h ALA 194 CO -0.01 0.66 -0.09 -0.97 0.00 0.00 0.00 179.25 178.84 3l8i h ASN 195 N 0.02 0.20 -0.91 0.00 -1.24 -0.89 -0.95 115.58 111.82 3l8i h ASN 195 Ca -0.00 -0.50 0.07 0.00 0.71 0.00 0.00 56.30 56.58 3l8i h ASN 195 Cb 0.93 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.87 3l8i h ASN 195 CO 0.07 0.67 0.59 0.03 -1.29 0.00 0.00 177.43 177.49 3l8i h ARG 196 N -0.25 0.98 -0.40 6.67 3.08 -1.14 0.19 114.38 123.50 3l8i h ARG 196 Ca 0.01 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3l8i h ARG 196 Cb 0.61 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3l8i h ARG 196 CO 0.02 0.65 -0.01 1.25 -1.07 0.00 0.00 179.97 180.81 3l8i h LEU 197 N 1.01 0.69 -0.40 3.04 5.85 -1.03 -0.77 115.31 123.69 3l8i h LEU 197 Ca 0.40 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3l8i h LEU 197 Cb 0.24 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3l8i h LEU 197 CO -0.16 0.84 -0.04 0.40 -0.34 0.00 0.00 178.44 179.14 3l8i h ILE 198 N 0.53 0.66 -0.69 4.05 2.04 -0.43 -0.49 117.51 123.18 3l8i h ILE 198 Ca 0.11 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3l8i h ILE 198 Cb 0.49 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3l8i h ILE 198 CO 0.02 0.01 0.44 -0.74 0.00 0.00 0.00 178.15 177.89 3l8i h HIS 199 N 0.06 0.88 -0.17 1.37 2.76 -0.72 -1.04 115.15 118.30 3l8i h HIS 199 Ca 0.19 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.27 3l8i h HIS 199 Cb 0.29 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 3l8i h HIS 199 CO -0.30 0.57 -0.38 1.96 -1.30 0.00 0.00 177.93 178.47 3l8i h GLN 200 N 0.95 0.38 0.00 5.26 1.08 -0.24 -0.23 115.11 122.31 3l8i h GLN 200 Ca 0.25 -0.18 -0.12 0.00 -1.45 0.00 0.00 58.65 57.15 3l8i h GLN 200 Cb -0.08 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 3l8i h GLN 200 CO -0.05 0.71 -0.58 1.79 -0.95 0.00 0.00 178.83 179.74 3l8i h THR 201 N 0.32 1.20 -0.43 -0.54 1.35 -0.46 -0.54 112.91 113.81 3l8i h THR 201 Ca 0.03 -2.16 -0.03 0.00 -0.55 0.00 0.00 66.41 63.71 3l8i h THR 201 Cb 0.82 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 69.46 3l8i h THR 201 CO 0.07 0.57 0.16 0.78 -0.25 0.00 0.00 175.52 176.85 3l8i h ASN 202 N 0.00 0.60 -0.75 5.36 2.35 -0.86 -2.43 115.58 119.86 3l8i h ASN 202 Ca -0.01 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 3l8i h ASN 202 Cb 1.19 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 3l8i h ASN 202 CO 0.08 0.61 0.32 -0.07 -1.65 0.00 0.00 177.43 176.71 3l8i h LEU 203 N 0.55 1.03 -0.03 1.61 3.38 -0.82 -0.36 115.31 120.66 3l8i h LEU 203 Ca 0.14 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3l8i h LEU 203 Cb 0.21 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3l8i h LEU 203 CO -0.01 0.90 -0.46 0.40 0.09 0.00 0.00 178.44 179.36 3l8i h ILE 204 N 1.10 0.10 -0.74 1.22 1.08 -0.99 0.01 117.51 119.28 3l8i h ILE 204 Ca 0.26 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.82 3l8i h ILE 204 Cb 0.19 0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 33.97 3l8i h ILE 204 CO -0.02 0.00 0.39 -0.07 -0.69 0.00 0.00 178.15 177.76 3l8i h LEU 205 N -0.59 0.53 0.34 1.44 3.38 -0.89 0.26 115.31 119.78 3l8i h LEU 205 Ca 0.04 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3l8i h LEU 205 Cb 0.67 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3l8i h LEU 205 CO -0.35 0.31 -0.16 -0.61 0.09 0.00 0.00 178.44 177.71 3l8i h GLN 206 N 0.67 -0.43 -0.47 1.13 4.15 -0.76 0.18 115.11 119.56 3l8i h GLN 206 Ca 0.36 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.83 3l8i h GLN 206 Cb 0.35 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 3l8i h GLN 206 CO -0.26 -0.26 0.29 1.15 -1.93 0.00 0.00 178.83 177.82 3l8i h THR 207 N -0.49 1.07 -0.30 2.39 2.02 -0.65 0.14 112.91 117.10 3l8i h THR 207 Ca -0.05 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 3l8i h THR 207 Cb 0.37 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3l8i h THR 207 CO 0.08 0.11 -0.18 -0.26 0.37 0.00 0.00 175.52 175.63 3l8i h PHE 208 N 0.59 0.59 -0.01 3.16 0.04 -0.35 -2.32 116.94 118.64 3l8i h PHE 208 Ca 0.18 -0.11 -0.26 0.00 2.80 0.00 0.00 57.97 60.58 3l8i h PHE 208 Cb -0.02 -0.15 0.02 0.00 2.20 0.00 0.00 35.95 38.00 3l8i h PHE 208 CO -0.06 0.69 -1.01 1.57 -0.60 0.00 0.00 178.31 178.90 3l8i h LYS 209 N 0.49 0.70 -0.42 1.51 2.10 -0.41 -3.25 116.57 117.28 3l8i h LYS 209 Ca 0.08 -0.74 -0.01 0.00 -2.00 0.00 0.00 60.65 57.97 3l8i h LYS 209 Cb 0.59 0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 32.11 3l8i h LYS 209 CO 0.04 1.32 0.21 1.15 -2.00 0.00 0.00 179.45 180.17 3l8i h THR 210 N 0.38 1.17 -0.10 0.07 2.02 -0.52 -3.05 112.91 112.88 3l8i h THR 210 Ca -0.12 -0.48 -0.16 0.00 0.77 0.00 0.00 66.41 66.42 3l8i h THR 210 Cb 1.67 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3l8i h THR 210 CO 0.20 0.19 -0.61 0.58 0.37 0.00 0.00 175.52 176.24 3l8i h VAL 211 N 0.54 1.37 0.00 3.16 2.07 -1.58 -3.51 116.25 118.30 3l8i h VAL 211 Ca 0.15 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3l8i h VAL 211 Cb 0.10 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3l8i h VAL 211 CO -0.02 0.59 0.00 0.00 0.02 0.00 0.00 177.57 178.16