#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irm n SER 31 N 0.00 0.00 0.00 1.20 2.88 -1.26 -5.03 113.62 111.40 1irm n SER 31 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1irm n SER 31 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1irm n SER 31 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1irm n GLU 32 N 0.00 0.00 0.09 -1.46 -0.00 -1.26 -4.72 120.64 113.29 1irm n GLU 32 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.07 1irm n GLU 32 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.40 1irm n GLU 32 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1irm h PHE 33 N 0.00 0.23 0.00 -1.84 3.57 -1.98 -2.57 116.94 114.35 1irm h PHE 33 Ca 0.00 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1irm h PHE 33 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1irm h PHE 33 CO 0.00 1.00 0.00 -1.33 -2.23 0.00 0.00 178.31 175.75 1irm n MET 34 N -3.58 0.04 0.00 1.11 2.81 -1.26 0.48 117.12 116.72 1irm n MET 34 Ca -0.03 0.47 0.02 0.00 -1.81 0.00 0.00 57.70 56.35 1irm n MET 34 Cb 0.85 -1.62 0.13 0.00 -0.71 0.00 0.00 33.22 31.87 1irm n MET 34 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1irm n ARG 35 N -1.70 0.89 -0.00 0.03 0.63 -0.97 -2.33 116.66 113.21 1irm n ARG 35 Ca 0.01 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1irm n ARG 35 Cb 0.06 -1.07 -0.01 0.00 0.45 0.00 0.00 32.46 31.89 1irm n ARG 35 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1irm n ASN 36 N -0.57 4.71 -1.83 6.15 5.03 0.18 -3.34 115.26 125.57 1irm n ASN 36 Ca 0.03 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.34 1irm n ASN 36 Cb 0.01 0.77 0.15 0.00 -1.02 0.00 0.00 39.78 39.70 1irm n ASN 36 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1irm n PHE 37 N -1.82 2.11 -1.53 3.10 -0.00 -0.98 -2.86 117.46 115.48 1irm n PHE 37 Ca -0.01 -1.34 0.00 0.00 -0.00 0.00 0.00 57.45 56.09 1irm n PHE 37 Cb 0.31 -0.71 0.00 0.00 -0.00 0.00 0.00 39.48 39.08 1irm n PHE 37 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1irm n GLN 38 N -0.53 0.00 0.00 -4.13 7.27 -1.18 -5.02 117.38 113.79 1irm n GLN 38 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.47 1irm n GLN 38 Cb 1.29 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.94 1irm n GLN 38 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1irm n LYS 39 N 0.00 0.00 0.00 3.69 4.81 -1.14 -4.99 118.16 120.53 1irm n LYS 39 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1irm n LYS 39 Cb 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 1irm n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1irm n GLY 40 N 0.00 4.24 1.28 3.14 0.00 -1.24 -4.76 105.19 107.85 1irm n GLY 40 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1irm n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1irm n GLN 41 N 0.00 0.00 -0.25 1.61 0.00 -1.26 -4.46 117.38 113.02 1irm n GLN 41 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 57.12 1irm n GLN 41 Cb 0.00 -0.10 0.39 0.00 0.00 0.00 0.00 30.24 30.53 1irm n GLN 41 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 1irm h VAL 42 N 0.00 0.84 0.00 1.69 -1.51 -1.94 -3.47 116.25 111.86 1irm h VAL 42 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1irm h VAL 42 Cb 0.00 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.28 1irm h VAL 42 CO 0.00 0.12 0.00 -0.24 -1.23 0.00 0.00 177.57 176.22 1irm n SER 43 N -4.55 0.00 0.00 4.19 2.88 -1.26 -3.32 113.62 111.56 1irm n SER 43 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1irm n SER 43 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1irm n SER 43 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1irm n ARG 44 N 0.00 0.00 -0.07 -1.46 0.63 -1.26 -4.67 116.66 109.83 1irm n ARG 44 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 1irm n ARG 44 Cb 0.00 -0.66 -0.05 0.00 0.45 0.00 0.00 32.46 32.20 1irm n ARG 44 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1irm h GLU 45 N 0.00 0.78 -0.01 -0.14 4.57 -1.99 -2.53 114.58 115.26 1irm h GLU 45 Ca 0.00 -0.51 -0.17 0.00 -1.18 0.00 0.00 59.36 57.49 1irm h GLU 45 Cb 0.55 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1irm h GLU 45 CO 0.00 1.14 -0.79 0.78 -1.18 0.00 0.00 179.01 178.96 1irm h GLY 46 N 0.52 0.14 1.93 1.92 0.00 -1.89 -2.90 103.07 102.79 1irm h GLY 46 Ca 0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 1irm h GLY 46 CO 0.11 0.20 -0.75 -2.75 0.00 0.00 0.00 176.54 173.35 1irm h PHE 47 N 0.08 0.00 0.00 5.60 3.57 -1.75 -2.60 116.94 121.83 1irm h PHE 47 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1irm h PHE 47 Cb 1.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1irm h PHE 47 CO 0.02 0.70 -0.31 0.36 -2.23 0.00 0.00 178.31 176.85 1irm n LYS 48 N -3.25 0.13 -0.04 1.11 2.85 -0.95 -2.77 118.16 115.24 1irm n LYS 48 Ca 0.00 0.07 -0.20 0.00 -1.05 0.00 0.00 58.31 57.12 1irm n LYS 48 Cb 0.82 -1.61 -0.13 0.00 -0.65 0.00 0.00 35.03 33.46 1irm n LYS 48 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1irm n LEU 49 N -1.82 2.73 0.12 -5.58 0.00 -1.10 -2.63 117.00 108.72 1irm n LEU 49 Ca 0.05 0.11 -0.13 0.00 0.00 0.00 0.00 56.01 56.04 1irm n LEU 49 Cb 0.38 -1.06 -0.08 0.00 0.00 0.00 0.00 43.42 42.67 1irm n LEU 49 CO 0.32 0.87 0.77 0.58 0.00 0.00 0.00 177.39 179.94 1irm h VAL 50 N 0.03 0.86 0.00 1.96 2.07 -1.56 -1.99 116.25 117.62 1irm h VAL 50 Ca -0.47 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1irm h VAL 50 Cb 1.98 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1irm h VAL 50 CO 0.03 0.04 -0.24 0.24 0.02 0.00 0.00 177.57 177.65 1irm h MET 51 N -0.31 0.00 0.00 1.57 2.86 -1.70 -2.31 114.93 115.04 1irm h MET 51 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1irm h MET 51 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1irm h MET 51 CO 0.04 0.24 0.00 0.00 1.06 0.00 0.00 176.91 178.25 1irm n ALA 52 N -2.33 2.03 0.00 6.32 0.00 -0.76 -3.16 120.51 122.63 1irm n ALA 52 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1irm n ALA 52 Cb 0.35 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1irm n ALA 52 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1irm n SER 53 N -0.76 2.25 -0.32 0.00 7.64 -0.90 -4.43 113.62 117.10 1irm n SER 53 Ca 0.06 0.00 0.28 0.00 1.01 0.00 0.00 58.87 60.22 1irm n SER 53 Cb 0.03 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 63.83 1irm n SER 53 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1irm h LEU 54 N 0.00 0.27 0.21 -3.43 3.38 -1.43 0.47 115.31 114.78 1irm h LEU 54 Ca 0.00 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1irm h LEU 54 Cb 0.57 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1irm h LEU 54 CO 0.00 0.04 -0.41 0.22 0.09 0.00 0.00 178.44 178.38 1irm h TYR 55 N 0.23 -1.14 -0.05 1.13 3.20 -1.82 1.34 116.97 119.86 1irm h TYR 55 Ca 0.59 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.50 1irm h TYR 55 Cb 1.81 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 40.53 1irm h TYR 55 CO -0.00 -0.53 -0.08 0.45 -1.64 0.00 0.00 178.16 176.36 1irm h HIS 56 N -0.70 -0.19 -0.16 -3.82 3.86 -1.21 0.14 115.15 113.06 1irm h HIS 56 Ca 0.00 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1irm h HIS 56 Cb 0.69 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.21 1irm h HIS 56 CO -0.32 -0.12 -0.11 0.82 0.86 0.00 0.00 177.93 179.06 1irm h ILE 57 N -0.11 0.68 -0.58 2.45 2.04 -0.93 0.65 117.51 121.72 1irm h ILE 57 Ca 0.05 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 1irm h ILE 57 Cb 0.18 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1irm h ILE 57 CO -0.12 0.00 0.11 1.88 0.00 0.00 0.00 178.15 180.02 1irm h TYR 58 N -0.10 0.96 -0.08 1.37 0.05 0.19 1.23 116.97 120.58 1irm h TYR 58 Ca 0.10 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 1irm h TYR 58 Cb 0.25 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1irm h TYR 58 CO -0.25 0.81 -0.19 1.15 -1.05 0.00 0.00 178.16 178.63 1irm h THR 59 N 0.87 1.18 0.05 -2.88 2.02 0.27 0.43 112.91 114.86 1irm h THR 59 Ca 0.18 -0.84 -0.12 0.00 0.77 0.00 0.00 66.41 66.40 1irm h THR 59 Cb 0.36 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1irm h THR 59 CO 0.00 0.25 -0.57 0.00 0.37 0.00 0.00 175.52 175.58 1irm h ALA 60 N 1.68 0.03 -0.13 6.16 0.00 0.11 -1.94 119.26 125.17 1irm h ALA 60 Ca 0.02 -0.72 0.05 0.00 0.00 0.00 0.00 54.91 54.26 1irm h ALA 60 Cb 0.42 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1irm h ALA 60 CO 0.03 0.30 -0.24 1.25 0.00 0.00 0.00 179.25 180.59 1irm h LEU 61 N -0.75 -0.75 -1.49 0.00 5.85 0.17 -2.04 115.31 116.31 1irm h LEU 61 Ca -0.12 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1irm h LEU 61 Cb 1.31 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1irm h LEU 61 CO 0.02 -0.29 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.45 1irm h GLU 62 N -0.31 0.27 -1.23 1.25 5.08 -0.25 -2.70 114.58 116.70 1irm h GLU 62 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1irm h GLU 62 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1irm h GLU 62 CO -0.31 0.34 0.00 -1.91 -1.00 0.00 0.00 179.01 176.13 1irm n GLU 63 N -4.33 0.72 0.00 2.33 2.13 -0.73 -1.80 120.64 118.96 1irm n GLU 63 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1irm n GLU 63 Cb 0.22 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1irm n GLU 63 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1irm n GLU 64 N 0.60 3.97 0.11 5.31 -0.58 -1.02 -4.68 120.64 124.35 1irm n GLU 64 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1irm n GLU 64 Cb 0.35 -0.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 1irm n GLU 64 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1irm h ILE 65 N 0.00 0.62 0.00 -3.67 2.04 -1.38 -2.28 117.51 112.84 1irm h ILE 65 Ca 0.00 -1.95 -0.19 0.00 1.00 0.00 0.00 64.86 63.72 1irm h ILE 65 Cb 0.01 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1irm h ILE 65 CO 0.00 0.35 -1.09 -0.33 0.00 0.00 0.00 178.15 177.08 1irm h GLU 66 N 0.00 0.00 0.01 2.37 4.39 -1.84 -3.02 114.58 116.49 1irm h GLU 66 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1irm h GLU 66 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1irm h GLU 66 CO 0.05 0.61 -0.03 -0.09 -1.16 0.00 0.00 179.01 178.38 1irm h ARG 67 N 0.00 0.01 -1.14 2.33 2.43 -1.83 -3.39 114.38 112.79 1irm h ARG 67 Ca -0.09 -0.02 -0.64 0.00 -0.81 0.00 0.00 59.98 58.41 1irm h ARG 67 Cb 1.67 0.01 -0.34 0.00 -0.42 0.00 0.00 29.97 30.88 1irm h ARG 67 CO 0.08 0.99 0.22 0.09 -1.51 0.00 0.00 179.97 179.84 1irm n ASN 68 N -4.60 6.51 0.00 -3.80 4.13 -0.86 -4.66 115.26 111.98 1irm n ASN 68 Ca -0.10 -3.78 0.13 0.00 1.68 0.00 0.00 54.58 52.51 1irm n ASN 68 Cb 0.48 -0.74 0.37 0.00 -1.54 0.00 0.00 39.78 38.35 1irm n ASN 68 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1irm n LYS 69 N -0.75 0.01 0.00 3.52 2.85 -1.14 -3.93 118.16 118.73 1irm n LYS 69 Ca 0.53 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.58 1irm n LYS 69 Cb 0.69 -1.51 -0.14 0.00 -0.65 0.00 0.00 35.03 33.42 1irm n LYS 69 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1irm h GLN 70 N 0.00 0.26 -6.61 -1.58 7.50 -1.88 -3.37 115.11 109.42 1irm h GLN 70 Ca 0.00 -0.44 -0.53 0.00 0.50 0.00 0.00 58.65 58.18 1irm h GLN 70 Cb 0.51 0.16 0.06 0.00 0.05 0.00 0.00 27.48 28.26 1irm h GLN 70 CO 0.00 1.21 1.01 -1.71 -1.50 0.00 0.00 178.83 177.84 1irm n ASN 71 N -3.63 3.93 0.00 1.46 2.85 -1.25 -4.79 115.26 113.83 1irm n ASN 71 Ca -0.31 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.22 1irm n ASN 71 Cb 1.01 -1.56 0.02 0.00 1.24 0.00 0.00 39.78 40.49 1irm n ASN 71 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1irm n PRO 72 N 4.26 0.01 0.00 1.20 -0.02 -1.26 -2.36 135.00 136.83 1irm n PRO 72 Ca 0.17 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1irm n PRO 72 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1irm n PRO 72 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1irm n VAL 73 N -1.28 0.87 0.00 -1.45 0.24 -1.26 -4.02 118.33 111.43 1irm n VAL 73 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1irm n VAL 73 Cb 0.01 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 1irm n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1irm n TYR 74 N 0.54 0.00 -0.26 6.34 9.36 -1.14 -4.29 117.16 127.71 1irm n TYR 74 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 1irm n TYR 74 Cb 0.44 0.00 0.25 0.00 -0.63 0.00 0.00 39.34 39.40 1irm n TYR 74 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1irm n ALA 75 N 0.00 0.43 0.29 2.98 0.00 -0.99 0.01 120.51 123.22 1irm n ALA 75 Ca 0.00 0.81 0.19 0.00 0.00 0.00 0.00 53.44 54.44 1irm n ALA 75 Cb 0.00 -0.61 0.98 0.00 0.00 0.00 0.00 19.45 19.81 1irm n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1irm h PRO 76 N 0.00 0.00 -0.82 0.00 0.11 -1.86 -2.41 132.00 127.02 1irm h PRO 76 Ca 0.48 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.23 1irm h PRO 76 Cb 1.02 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.92 1irm h PRO 76 CO -0.70 0.00 0.42 1.28 -0.21 0.00 0.00 178.00 178.79 1irm n LEU 77 N -3.37 6.19 -4.48 2.35 4.77 0.10 -4.77 117.00 117.80 1irm n LEU 77 Ca -0.01 -3.46 -0.43 0.00 -0.03 0.00 0.00 56.01 52.08 1irm n LEU 77 Cb 0.22 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 1irm n LEU 77 CO 0.22 0.96 0.33 -0.47 -1.33 0.00 0.00 177.39 177.11 1irm s TYR 78 N -3.16 3.06 -0.43 -1.77 5.04 -0.91 -4.96 117.35 114.22 1irm s TYR 78 Ca 0.55 -0.34 0.05 0.00 -2.44 0.00 0.00 57.07 54.89 1irm s TYR 78 Cb 0.46 -3.40 0.19 0.00 0.35 0.00 0.00 41.96 39.56 1irm s TYR 78 CO 0.11 -0.95 0.41 1.19 -1.34 0.00 0.00 175.55 174.97 1irm n PHE 79 N 6.17 -0.42 -0.00 4.97 3.72 -1.26 -4.99 117.46 125.64 1irm n PHE 79 Ca -0.05 -3.45 -0.10 0.00 -0.05 0.00 0.00 57.45 53.80 1irm n PHE 79 Cb 0.47 0.02 0.05 0.00 -0.94 0.00 0.00 39.48 39.08 1irm n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1irm h PRO 80 N 5.13 0.58 -0.06 -1.08 0.13 -1.93 1.49 132.00 136.26 1irm h PRO 80 Ca 0.21 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1irm h PRO 80 Cb 0.89 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1irm h PRO 80 CO 0.43 0.97 0.00 0.39 -0.23 0.00 0.00 178.00 179.56 1irm n GLU 81 N -3.97 1.18 0.00 0.86 4.71 -1.26 -3.37 120.64 118.80 1irm n GLU 81 Ca -0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 57.16 56.84 1irm n GLU 81 Cb 0.60 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.80 1irm n GLU 81 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1irm n GLU 82 N -0.43 2.30 0.00 3.49 4.71 -1.14 -4.48 120.64 125.09 1irm n GLU 82 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1irm n GLU 82 Cb 0.11 -0.19 0.00 0.00 -1.01 0.00 0.00 31.44 30.35 1irm n GLU 82 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1irm n LEU 83 N 0.00 0.00 -4.69 -4.62 4.77 0.51 -4.92 117.00 108.05 1irm n LEU 83 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1irm n LEU 83 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1irm n LEU 83 CO 0.00 0.00 1.16 -1.00 -1.33 0.00 0.00 177.39 176.22 1irm s HIS 84 N -1.80 2.76 -0.97 -1.77 3.76 -1.10 -4.93 115.29 111.24 1irm s HIS 84 Ca 0.00 0.73 0.16 0.00 -0.15 0.00 0.00 55.06 55.80 1irm s HIS 84 Cb 0.00 -3.71 0.52 0.00 1.11 0.00 0.00 32.58 30.50 1irm s HIS 84 CO 0.00 -2.68 1.44 0.54 -0.85 0.00 0.00 174.74 173.19 1irm n ARG 85 N 5.47 3.14 0.06 1.40 3.00 -1.26 -4.51 116.66 123.97 1irm n ARG 85 Ca 0.14 -2.54 -0.14 0.00 -0.01 0.00 0.00 57.85 55.29 1irm n ARG 85 Cb 0.43 -1.61 -0.14 0.00 0.00 0.00 0.00 32.46 31.14 1irm n ARG 85 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1irm h ARG 86 N 2.90 0.19 -0.92 5.56 1.12 -1.92 -2.44 114.38 118.88 1irm h ARG 86 Ca 0.00 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 1irm h ARG 86 Cb 1.13 0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 31.16 1irm h ARG 86 CO 0.12 1.06 0.57 0.00 -3.11 0.00 0.00 179.97 178.60 1irm h ALA 87 N 0.63 1.29 0.00 2.80 0.00 -1.99 0.26 119.26 122.25 1irm h ALA 87 Ca -0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1irm h ALA 87 Cb 1.97 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1irm h ALA 87 CO 0.16 0.63 -0.75 0.00 0.00 0.00 0.00 179.25 179.29 1irm n ALA 88 N -2.40 3.20 -0.01 0.00 0.00 -1.25 -3.34 120.51 116.71 1irm n ALA 88 Ca 0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 1irm n ALA 88 Cb 0.04 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 1irm n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1irm n LEU 89 N -1.96 0.83 -0.07 0.00 4.77 -0.92 -2.75 117.00 116.90 1irm n LEU 89 Ca 0.03 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1irm n LEU 89 Cb 0.42 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1irm n LEU 89 CO 0.38 0.33 0.61 -0.33 -1.33 0.00 0.00 177.39 177.05 1irm h GLU 90 N 0.00 0.48 -0.46 3.23 5.08 -1.07 -0.93 114.58 120.91 1irm h GLU 90 Ca -0.26 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 57.77 1irm h GLU 90 Cb 1.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.14 1irm h GLU 90 CO 0.07 0.80 -0.07 0.37 -1.00 0.00 0.00 179.01 179.18 1irm h GLN 91 N 0.16 0.80 -0.39 2.33 4.15 -1.68 -2.30 115.11 118.18 1irm h GLN 91 Ca 0.04 -0.25 -0.16 0.00 0.77 0.00 0.00 58.65 59.05 1irm h GLN 91 Cb 0.70 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1irm h GLN 91 CO 0.04 0.85 -0.38 -0.44 -1.93 0.00 0.00 178.83 176.97 1irm h ASP 92 N 0.73 1.00 -0.19 -0.69 3.45 -1.49 -3.08 116.42 116.14 1irm h ASP 92 Ca 0.13 -0.45 -0.08 0.00 0.43 0.00 0.00 57.03 57.05 1irm h ASP 92 Cb 0.54 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.01 1irm h ASP 92 CO 0.03 1.25 -0.14 0.24 -1.57 0.00 0.00 179.24 179.05 1irm h MET 93 N 0.76 0.59 0.00 3.56 2.86 -0.94 -0.02 114.93 121.75 1irm h MET 93 Ca 0.06 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1irm h MET 93 Cb 0.97 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1irm h MET 93 CO 0.09 0.72 0.00 0.00 1.06 0.00 0.00 176.91 178.78 1irm n ALA 94 N -2.48 2.27 -0.56 6.32 0.00 -0.89 -1.93 120.51 123.25 1irm n ALA 94 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1irm n ALA 94 Cb 0.35 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1irm n ALA 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1irm n PHE 95 N -1.20 0.00 0.33 0.00 7.35 -0.15 -2.52 117.46 121.27 1irm n PHE 95 Ca 0.13 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 57.00 1irm n PHE 95 Cb 0.16 -0.10 0.97 0.00 0.35 0.00 0.00 39.48 40.86 1irm n PHE 95 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1irm h TRP 96 N 0.00 0.00 0.00 -5.13 4.06 -1.29 -3.13 115.95 110.46 1irm h TRP 96 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1irm h TRP 96 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1irm h TRP 96 CO 0.00 0.00 -1.05 0.66 -3.56 0.00 0.00 178.44 174.49 1irm n TYR 97 N -2.92 0.00 0.00 0.49 4.01 -0.81 -5.10 117.16 112.83 1irm n TYR 97 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1irm n TYR 97 Cb 0.24 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1irm n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1irm n GLY 98 N 2.74 1.13 0.29 2.72 0.00 -1.05 -4.59 105.19 106.44 1irm n GLY 98 Ca -0.01 -2.20 0.16 0.00 0.00 0.00 0.00 46.02 43.98 1irm n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1irm h PRO 99 N 0.00 0.00 -1.99 1.61 0.11 -1.93 -1.23 132.00 128.57 1irm h PRO 99 Ca 0.00 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.54 1irm h PRO 99 Cb 0.00 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 30.69 1irm h PRO 99 CO 0.00 0.00 -0.72 0.72 -0.21 0.00 0.00 178.00 177.79 1irm n HIS 100 N -2.77 3.52 0.10 0.65 8.25 -1.26 -4.78 115.22 118.92 1irm n HIS 100 Ca -0.02 -3.68 0.04 0.00 -0.26 0.00 0.00 57.72 53.80 1irm n HIS 100 Cb 0.23 -0.36 -0.00 0.00 1.12 0.00 0.00 29.99 30.98 1irm n HIS 100 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1irm h TRP 101 N 2.86 0.00 -0.24 4.41 5.08 -1.47 -3.40 115.95 123.20 1irm h TRP 101 Ca 0.17 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.16 1irm h TRP 101 Cb 0.68 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.81 1irm h TRP 101 CO 0.80 0.38 -0.14 1.04 -1.28 0.00 0.00 178.44 179.23 1irm n GLN 102 N -2.99 -0.10 -3.86 0.12 1.13 -1.26 -2.04 117.38 108.37 1irm n GLN 102 Ca -0.02 0.69 -0.30 0.00 -1.94 0.00 0.00 57.00 55.43 1irm n GLN 102 Cb 0.71 -1.03 -0.12 0.00 0.11 0.00 0.00 30.24 29.92 1irm n GLN 102 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1irm s GLU 103 N -3.95 2.46 0.00 -1.09 8.01 -1.26 -4.43 118.70 118.44 1irm s GLU 103 Ca -0.03 -3.11 0.00 0.00 0.01 0.00 0.00 54.97 51.84 1irm s GLU 103 Cb 0.03 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.35 1irm s GLU 103 CO 0.15 -1.23 0.00 0.00 0.01 0.00 0.00 175.26 174.19 1irm n ALA 104 N 2.40 0.00 -2.36 5.21 0.00 -0.87 -5.09 120.51 119.81 1irm n ALA 104 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 1irm n ALA 104 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 1irm n ALA 104 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1irm s ILE 105 N 0.00 4.81 0.22 0.00 -4.36 -1.22 -5.02 121.20 115.63 1irm s ILE 105 Ca 0.00 1.23 -0.31 0.00 -0.26 0.00 0.00 60.65 61.31 1irm s ILE 105 Cb 0.00 -3.91 -0.10 0.00 1.25 0.00 0.00 42.46 39.70 1irm s ILE 105 CO 0.00 0.50 1.51 -2.16 0.24 0.00 0.00 174.94 175.03 1irm s PRO 106 N -0.73 4.23 -0.64 0.37 0.04 -1.26 -4.85 135.00 132.14 1irm s PRO 106 Ca 0.30 2.37 0.02 0.00 0.04 0.00 0.00 61.00 63.72 1irm s PRO 106 Cb -0.19 -3.11 0.38 0.00 0.04 0.00 0.00 34.50 31.62 1irm s PRO 106 CO 0.18 -0.52 1.54 0.98 0.04 0.00 0.00 177.00 179.22 1irm n TYR 107 N 2.91 3.22 -1.03 0.56 9.36 -1.26 -4.71 117.16 126.21 1irm n TYR 107 Ca 0.10 -2.77 -0.36 0.00 3.32 0.00 0.00 57.90 58.19 1irm n TYR 107 Cb 0.39 -0.62 0.04 0.00 -0.63 0.00 0.00 39.34 38.52 1irm n TYR 107 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1irm n THR 108 N -0.49 0.09 0.30 2.97 -2.24 -1.26 -4.68 114.28 108.96 1irm n THR 108 Ca 0.46 -0.46 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 1irm n THR 108 Cb 0.45 -0.10 0.84 0.00 -2.10 0.00 0.00 70.33 69.42 1irm n THR 108 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1irm h PRO 109 N -0.86 0.00 0.00 -0.78 0.11 -1.97 -1.90 132.00 126.60 1irm h PRO 109 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1irm h PRO 109 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1irm h PRO 109 CO 0.28 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.07 1irm n ALA 110 N -1.98 2.23 -0.09 -0.75 0.00 -1.26 -3.27 120.51 115.40 1irm n ALA 110 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 1irm n ALA 110 Cb 0.16 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.06 1irm n ALA 110 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1irm h THR 111 N 0.00 0.69 0.00 0.00 2.02 -1.66 -2.44 112.91 111.53 1irm h THR 111 Ca 0.00 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1irm h THR 111 Cb 0.65 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1irm h THR 111 CO 0.00 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.13 1irm n GLN 112 N -4.50 0.00 0.00 6.66 6.02 -1.13 0.11 117.38 124.54 1irm n GLN 112 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 1irm n GLN 112 Cb 0.55 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.66 1irm n GLN 112 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1irm n HIS 113 N -0.58 0.00 -0.01 1.08 -0.00 -1.20 -4.46 115.22 110.05 1irm n HIS 113 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 1irm n HIS 113 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 1irm n HIS 113 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 1irm h TYR 114 N 0.00 0.98 0.00 1.57 5.03 -0.50 -2.85 116.97 121.20 1irm h TYR 114 Ca 0.00 -0.46 0.00 0.00 2.58 0.00 0.00 58.73 60.85 1irm h TYR 114 Cb 0.49 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.63 1irm h TYR 114 CO 0.00 1.28 0.00 0.28 -1.32 0.00 0.00 178.16 178.40 1irm h VAL 115 N 0.40 0.00 -0.27 1.81 2.07 0.49 -2.17 116.25 118.57 1irm h VAL 115 Ca -0.07 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1irm h VAL 115 Cb 1.42 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1irm h VAL 115 CO 0.16 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 178.15 1irm h LYS 116 N 0.00 0.54 0.44 1.57 3.64 -1.64 -3.05 116.57 118.08 1irm h LYS 116 Ca 0.00 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1irm h LYS 116 Cb 0.43 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1irm h LYS 116 CO 0.00 0.78 -0.31 -0.09 -2.27 0.00 0.00 179.45 177.55 1irm h ARG 117 N 0.28 -0.69 -0.43 1.90 9.65 -1.36 -1.23 114.38 122.51 1irm h ARG 117 Ca 0.06 0.05 0.12 0.00 -1.10 0.00 0.00 59.98 59.11 1irm h ARG 117 Cb 0.60 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 1irm h ARG 117 CO 0.03 -0.46 0.78 -0.07 2.80 0.00 0.00 179.97 183.06 1irm h LEU 118 N -0.72 0.00 0.00 3.80 4.07 -1.60 0.25 115.31 121.11 1irm h LEU 118 Ca -0.06 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.72 1irm h LEU 118 Cb 0.59 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 1irm h LEU 118 CO 0.03 0.00 -1.81 1.41 -1.08 0.00 0.00 178.44 176.99 1irm n HIS 119 N -3.13 0.49 0.08 1.13 8.25 -0.92 -3.57 115.22 117.56 1irm n HIS 119 Ca 0.09 0.16 -0.05 0.00 -0.26 0.00 0.00 57.72 57.66 1irm n HIS 119 Cb 0.93 -0.93 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1irm n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1irm h GLU 120 N 0.00 0.00 -0.05 -0.41 5.08 0.62 -2.19 114.58 117.63 1irm h GLU 120 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1irm h GLU 120 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1irm h GLU 120 CO 0.03 0.90 0.00 0.28 -1.00 0.00 0.00 179.01 179.22 1irm n VAL 121 N -3.42 0.07 -0.01 3.13 0.31 -0.31 -2.44 118.33 115.65 1irm n VAL 121 Ca -0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1irm n VAL 121 Cb 0.87 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.77 1irm n VAL 121 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1irm n GLY 122 N 0.97 -0.17 0.02 2.92 0.00 -1.03 -2.99 105.19 104.92 1irm n GLY 122 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1irm n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irm n GLY 123 N 0.51 -0.16 0.00 -0.02 0.00 -0.85 -4.80 105.19 99.86 1irm n GLY 123 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1irm n GLY 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1irm n THR 124 N -2.35 0.00 -2.64 2.61 -1.04 -1.02 -4.88 114.28 104.96 1irm n THR 124 Ca -0.08 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.05 61.59 1irm n THR 124 Cb 0.62 1.18 0.02 0.00 -1.82 0.00 0.00 70.33 70.34 1irm n THR 124 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1irm n HIS 125 N -0.28 1.70 0.06 -1.42 8.25 -1.02 -4.92 115.22 117.59 1irm n HIS 125 Ca 0.00 -2.92 0.10 0.00 -0.26 0.00 0.00 57.72 54.63 1irm n HIS 125 Cb 0.05 -0.31 0.55 0.00 1.12 0.00 0.00 29.99 31.39 1irm n HIS 125 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1irm h PRO 126 N 2.90 0.26 0.00 -0.41 0.13 -1.83 0.25 132.00 133.29 1irm h PRO 126 Ca 0.01 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1irm h PRO 126 Cb 1.10 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1irm h PRO 126 CO 0.59 0.17 -0.19 1.05 -0.23 0.00 0.00 178.00 179.39 1irm h GLU 127 N 0.26 0.00 -0.43 0.86 9.09 -1.84 -2.69 114.58 119.84 1irm h GLU 127 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.56 1irm h GLU 127 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1irm h GLU 127 CO -0.03 0.19 0.00 1.28 0.05 0.00 0.00 179.01 180.50 1irm n LEU 128 N -3.27 2.26 0.11 3.06 4.77 0.84 -4.32 117.00 120.45 1irm n LEU 128 Ca 0.01 -1.13 -0.19 0.00 -0.03 0.00 0.00 56.01 54.67 1irm n LEU 128 Cb 0.46 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.12 1irm n LEU 128 CO 0.33 0.54 -0.15 0.25 -1.33 0.00 0.00 177.39 177.04 1irm h LEU 129 N 2.38 0.55 -1.59 2.23 5.85 -1.21 -3.33 115.31 120.17 1irm h LEU 129 Ca 0.00 -0.60 0.13 0.00 0.84 0.00 0.00 57.88 58.24 1irm h LEU 129 Cb 0.59 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1irm h LEU 129 CO 0.01 1.48 0.65 1.62 -0.34 0.00 0.00 178.44 181.86 1irm h VAL 130 N 0.10 0.17 -0.12 1.05 3.04 -1.78 0.15 116.25 118.85 1irm h VAL 130 Ca -0.19 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.42 1irm h VAL 130 Cb 2.04 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.75 1irm h VAL 130 CO 0.22 0.00 -0.31 0.00 -1.01 0.00 0.00 177.57 176.47 1irm h ALA 131 N 1.11 1.25 0.00 3.17 0.00 -1.87 -0.42 119.26 122.49 1irm h ALA 131 Ca 0.21 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1irm h ALA 131 Cb 1.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1irm h ALA 131 CO -0.00 0.51 -0.96 0.45 0.00 0.00 0.00 179.25 179.25 1irm h HIS 132 N 0.21 0.00 0.11 0.00 -0.00 -0.94 -2.54 115.15 111.98 1irm h HIS 132 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1irm h HIS 132 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1irm h HIS 132 CO 0.01 0.96 -0.05 0.00 -0.00 0.00 0.00 177.93 178.85 1irm h ALA 133 N 1.04 -0.15 -0.54 2.45 0.00 -1.31 0.30 119.26 121.06 1irm h ALA 133 Ca -0.01 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1irm h ALA 133 Cb 1.73 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.47 1irm h ALA 133 CO 0.12 -0.24 -0.30 -0.92 0.00 0.00 0.00 179.25 177.91 1irm h TYR 134 N -0.84 -0.82 0.00 0.00 3.20 -1.19 0.33 116.97 117.66 1irm h TYR 134 Ca -0.02 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1irm h TYR 134 Cb 0.56 0.44 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1irm h TYR 134 CO 0.11 -0.36 0.00 2.41 -1.64 0.00 0.00 178.16 178.68 1irm n THR 135 N -5.43 0.00 -0.08 1.81 -1.04 -0.96 -0.83 114.28 107.75 1irm n THR 135 Ca 0.04 1.03 -0.13 0.00 -2.04 0.00 0.00 64.05 62.95 1irm n THR 135 Cb 0.35 -1.96 -0.09 0.00 -1.82 0.00 0.00 70.33 66.81 1irm n THR 135 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1irm h ARG 136 N 0.00 -0.39 0.53 -2.82 2.47 -0.32 3.02 114.38 116.86 1irm h ARG 136 Ca 0.00 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1irm h ARG 136 Cb 0.00 0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1irm h ARG 136 CO 0.00 -0.26 -0.25 1.88 0.56 0.00 0.00 179.97 181.90 1irm h TYR 137 N -0.41 -0.66 0.00 3.04 0.05 -0.48 0.18 116.97 118.70 1irm h TYR 137 Ca 0.05 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1irm h TYR 137 Cb 0.55 0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1irm h TYR 137 CO -0.67 -0.41 0.00 1.28 -1.05 0.00 0.00 178.16 177.31 1irm n LEU 138 N -4.44 0.05 -0.06 3.88 4.77 -0.01 -3.33 117.00 117.86 1irm n LEU 138 Ca -0.09 0.51 -0.04 0.00 -0.03 0.00 0.00 56.01 56.36 1irm n LEU 138 Cb 0.28 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1irm n LEU 138 CO 0.21 -0.19 -0.32 0.61 -1.33 0.00 0.00 177.39 176.37 1irm n GLY 139 N 0.45 -0.88 2.32 -0.72 0.00 1.01 -3.07 105.19 104.29 1irm n GLY 139 Ca 0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1irm n GLY 139 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1irm n ASP 140 N -4.28 7.02 0.00 1.61 4.64 0.64 -3.16 116.55 123.02 1irm n ASP 140 Ca -0.06 -2.47 0.00 0.00 -1.38 0.00 0.00 54.79 50.88 1irm n ASP 140 Cb 0.24 -1.39 0.00 0.00 -1.04 0.00 0.00 41.12 38.93 1irm n ASP 140 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1irm n LEU 141 N 3.48 0.00 0.00 -2.67 0.00 -1.21 -4.80 117.00 111.80 1irm n LEU 141 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.63 1irm n LEU 141 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.76 1irm n LEU 141 CO 0.66 0.00 0.00 -1.20 0.00 0.00 0.00 177.39 176.85 1irm n SER 142 N -0.74 0.00 0.00 1.96 7.64 -1.17 -5.06 113.62 116.25 1irm n SER 142 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1irm n SER 142 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1irm n SER 142 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1irm n GLN 145 N -0.56 0.00 0.00 1.43 0.00 -1.26 -5.06 117.38 111.92 1irm n GLN 145 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1irm n GLN 145 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 30.24 29.87 1irm n GLN 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1irm n VAL 146 N 0.00 0.00 -0.32 1.69 0.31 -1.26 -4.79 118.33 113.96 1irm n VAL 146 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1irm n VAL 146 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1irm n VAL 146 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1irm h LEU 147 N 0.00 -1.89 -0.69 7.52 3.38 -1.94 -1.47 115.31 120.22 1irm h LEU 147 Ca 0.00 0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.33 1irm h LEU 147 Cb 0.00 0.84 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 1irm h LEU 147 CO 0.00 -0.29 -0.41 1.17 0.09 0.00 0.00 178.44 179.00 1irm n LYS 148 N -5.33 -0.30 -0.16 1.13 0.00 -1.26 0.56 118.16 112.79 1irm n LYS 148 Ca 0.02 1.21 0.25 0.00 0.00 0.00 0.00 58.31 59.79 1irm n LYS 148 Cb 0.31 -1.78 0.39 0.00 0.00 0.00 0.00 35.03 33.95 1irm n LYS 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1irm n LYS 149 N -4.64 0.02 -0.04 1.64 5.02 -0.55 0.53 118.16 120.12 1irm n LYS 149 Ca 0.01 1.01 -0.02 0.00 -2.02 0.00 0.00 58.31 57.29 1irm n LYS 149 Cb 0.18 -2.54 -0.10 0.00 -0.02 0.00 0.00 35.03 32.56 1irm n LYS 149 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1irm n ILE 150 N -3.16 0.56 0.23 -0.18 5.41 0.19 -4.49 119.36 117.93 1irm n ILE 150 Ca 0.21 -0.44 0.01 0.00 1.00 0.00 0.00 62.75 63.53 1irm n ILE 150 Cb 1.48 -0.41 0.04 0.00 -0.71 0.00 0.00 39.64 40.04 1irm n ILE 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1irm n ALA 151 N -2.29 1.63 0.00 -1.39 0.00 0.19 -1.87 120.51 116.78 1irm n ALA 151 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1irm n ALA 151 Cb 0.72 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1irm n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1irm n GLN 152 N -0.68 0.00 -0.00 0.00 3.00 -1.23 -4.34 117.38 114.12 1irm n GLN 152 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.14 1irm n GLN 152 Cb 0.00 -0.93 0.77 0.00 0.00 0.00 0.00 30.24 30.09 1irm n GLN 152 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1irm n LYS 153 N -2.48 1.11 -0.03 -1.09 4.76 -1.07 -3.07 118.16 116.28 1irm n LYS 153 Ca 0.00 -0.16 0.01 0.00 -2.87 0.00 0.00 58.31 55.30 1irm n LYS 153 Cb 0.47 -1.44 0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1irm n LYS 153 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1irm n ALA 154 N -0.76 1.88 -2.02 7.82 0.00 -0.78 -4.81 120.51 121.85 1irm n ALA 154 Ca 0.20 -1.14 -0.01 0.00 0.00 0.00 0.00 53.44 52.50 1irm n ALA 154 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 1irm n ALA 154 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1irm n MET 155 N -0.53 0.00 -1.40 0.00 2.81 -1.17 -4.87 117.12 111.95 1irm n MET 155 Ca 0.02 -0.40 -0.15 0.00 -1.81 0.00 0.00 57.70 55.36 1irm n MET 155 Cb 0.36 -0.07 -0.06 0.00 -0.71 0.00 0.00 33.22 32.73 1irm n MET 155 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1irm n ALA 156 N 0.02 -0.22 -1.80 3.04 0.00 -1.19 -4.95 120.51 115.41 1irm n ALA 156 Ca -0.02 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1irm n ALA 156 Cb 0.59 -1.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 1irm n ALA 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1irm s LEU 157 N -3.58 3.87 0.37 0.00 1.02 -1.20 -4.98 118.68 114.19 1irm s LEU 157 Ca 0.00 1.91 -0.22 0.00 0.02 0.00 0.00 54.13 55.84 1irm s LEU 157 Cb 0.00 -4.54 -0.15 0.00 0.02 0.00 0.00 46.19 41.52 1irm s LEU 157 CO 0.00 -0.72 0.14 -2.65 0.02 0.00 0.00 176.35 173.14 1irm n PRO 158 N -0.88 0.00 0.05 1.29 -0.02 -1.26 -4.83 135.00 129.35 1irm n PRO 158 Ca 0.09 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1irm n PRO 158 Cb 0.53 -0.98 0.43 0.00 -0.02 0.00 0.00 33.50 33.46 1irm n PRO 158 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1irm n SER 159 N 2.24 0.31 -0.08 2.55 3.41 -1.26 -2.44 113.62 118.35 1irm n SER 159 Ca 0.12 0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 59.14 1irm n SER 159 Cb 0.37 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1irm n SER 159 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1irm h SER 160 N 0.00 0.89 0.00 4.04 4.64 -2.04 -3.47 113.55 117.62 1irm h SER 160 Ca 0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1irm h SER 160 Cb 0.40 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1irm h SER 160 CO 0.00 1.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.83 1irm n GLY 161 N 0.37 1.25 3.76 -0.77 0.00 -1.02 -5.08 105.19 103.70 1irm n GLY 161 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1irm n GLY 161 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1irm s GLU 162 N -0.47 4.25 0.00 1.61 2.12 -1.26 -2.37 118.70 122.59 1irm s GLU 162 Ca 0.00 2.35 0.00 0.00 0.36 0.00 0.00 54.97 57.68 1irm s GLU 162 Cb 0.00 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1irm s GLU 162 CO 0.00 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1irm n GLY 163 N 1.45 0.46 0.24 -1.50 0.00 -1.26 -4.58 105.19 100.01 1irm n GLY 163 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1irm n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1irm n LEU 164 N 0.00 0.00 0.00 0.99 4.77 -1.00 -4.88 117.00 116.88 1irm n LEU 164 Ca 0.00 -0.67 0.13 0.00 -0.03 0.00 0.00 56.01 55.44 1irm n LEU 164 Cb 0.00 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.74 1irm n LEU 164 CO 0.00 0.57 0.93 0.00 -1.33 0.00 0.00 177.39 177.56 1irm n ALA 165 N 0.00 2.30 0.08 -1.18 0.00 -1.17 -2.25 120.51 118.29 1irm n ALA 165 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1irm n ALA 165 Cb 0.53 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.60 1irm n ALA 165 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1irm h PHE 166 N 0.00 0.33 -0.16 0.00 3.57 -1.90 -2.36 116.94 116.43 1irm h PHE 166 Ca 0.00 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1irm h PHE 166 Cb 0.25 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1irm h PHE 166 CO 0.00 0.91 0.01 1.19 -2.23 0.00 0.00 178.31 178.20 1irm n PHE 167 N -3.76 0.55 -4.16 0.41 3.72 -0.96 -4.81 117.46 108.46 1irm n PHE 167 Ca -0.03 -0.24 -0.16 0.00 -0.05 0.00 0.00 57.45 56.97 1irm n PHE 167 Cb 0.73 -0.22 -0.13 0.00 -0.94 0.00 0.00 39.48 38.92 1irm n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1irm s THR 168 N -1.40 0.70 -0.26 4.37 2.01 -0.89 -4.79 115.64 115.38 1irm s THR 168 Ca 0.14 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 1irm s THR 168 Cb 0.11 -0.69 0.09 0.00 0.01 0.00 0.00 72.50 72.02 1irm s THR 168 CO 0.04 -0.17 0.11 -0.36 -0.69 0.00 0.00 174.62 173.55 1irm s PHE 169 N -0.97 0.62 0.06 4.92 0.40 -1.26 -4.96 117.98 116.79 1irm s PHE 169 Ca -0.04 -0.93 -0.33 0.00 -0.60 0.00 0.00 56.93 55.04 1irm s PHE 169 Cb -0.08 -1.02 -0.19 0.00 0.51 0.00 0.00 43.02 42.24 1irm s PHE 169 CO 0.01 -0.76 1.55 -1.00 0.70 0.00 0.00 175.22 175.71 1irm h PRO 170 N 8.34 -0.91 -0.02 0.24 0.13 -1.95 -3.02 132.00 134.81 1irm h PRO 170 Ca -0.18 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1irm h PRO 170 Cb 1.05 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1irm h PRO 170 CO 0.41 -0.59 0.00 0.43 -0.23 0.00 0.00 178.00 178.02 1irm n SER 171 N -5.48 0.02 -4.07 1.44 7.64 -1.26 -4.31 113.62 107.61 1irm n SER 171 Ca -0.14 -0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.27 1irm n SER 171 Cb 0.39 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.43 1irm n SER 171 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1irm s ILE 172 N -1.67 2.60 0.00 0.44 1.01 -1.14 -4.96 121.20 117.48 1irm s ILE 172 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.54 1irm s ILE 172 Cb 0.00 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1irm s ILE 172 CO 0.00 -0.52 0.42 -0.67 0.00 0.00 0.00 174.94 174.17 1irm n ASP 173 N 4.39 0.00 -4.70 3.58 2.03 -1.26 -4.77 116.55 115.83 1irm n ASP 173 Ca -0.01 0.56 -0.39 0.00 0.52 0.00 0.00 54.79 55.47 1irm n ASP 173 Cb 0.42 -0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1irm n ASP 173 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1irm s ASN 174 N -2.09 6.73 0.00 1.67 3.84 -1.26 -5.03 114.94 118.80 1irm s ASN 174 Ca 0.00 0.88 0.00 0.00 0.21 0.00 0.00 52.86 53.95 1irm s ASN 174 Cb 0.00 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 1irm s ASN 174 CO 0.00 -0.11 0.09 -0.81 -2.79 0.00 0.00 177.10 173.48 1irm n PRO 175 N 4.17 0.00 0.00 0.43 -0.04 -1.26 -3.64 135.00 134.65 1irm n PRO 175 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1irm n PRO 175 Cb 0.51 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1irm n PRO 175 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1irm n THR 176 N -0.13 0.00 -0.34 0.52 -2.24 -1.26 -0.85 114.28 109.98 1irm n THR 176 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1irm n THR 176 Cb 0.00 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 67.96 1irm n THR 176 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1irm n LYS 177 N -0.04 2.31 0.00 -0.78 5.02 -1.24 -4.60 118.16 118.83 1irm n LYS 177 Ca 0.00 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.74 1irm n LYS 177 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1irm n LYS 177 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1irm n PHE 178 N -0.59 0.00 0.31 2.13 7.35 -0.03 -4.09 117.46 122.55 1irm n PHE 178 Ca 0.03 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.92 1irm n PHE 178 Cb 0.35 0.00 1.05 0.00 0.35 0.00 0.00 39.48 41.24 1irm n PHE 178 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1irm h LYS 179 N 0.00 0.00 0.12 -4.13 3.64 -1.81 1.65 116.57 116.04 1irm h LYS 179 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1irm h LYS 179 Cb 0.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1irm h LYS 179 CO 0.00 0.00 -1.89 1.96 -2.27 0.00 0.00 179.45 177.25 1irm h GLN 180 N 0.00 0.26 -0.45 1.90 4.20 -1.81 0.14 115.11 119.35 1irm h GLN 180 Ca 0.00 -0.45 -0.05 0.00 0.06 0.00 0.00 58.65 58.20 1irm h GLN 180 Cb 0.10 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1irm h GLN 180 CO 0.00 1.16 0.05 1.25 -0.67 0.00 0.00 178.83 180.62 1irm h LEU 181 N 0.07 0.66 0.00 1.46 5.85 -0.81 -1.11 115.31 121.43 1irm h LEU 181 Ca -0.38 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1irm h LEU 181 Cb 2.05 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1irm h LEU 181 CO 0.11 0.69 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 1irm n TYR 182 N -4.26 0.00 0.00 1.25 4.19 0.53 -2.96 117.16 115.91 1irm n TYR 182 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1irm n TYR 182 Cb 0.25 -0.43 0.00 0.00 0.49 0.00 0.00 39.34 39.64 1irm n TYR 182 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1irm n ARG 183 N -1.80 0.00 -0.02 2.98 1.74 0.48 -1.07 116.66 118.96 1irm n ARG 183 Ca 0.00 0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1irm n ARG 183 Cb 0.00 -1.64 -0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1irm n ARG 183 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1irm h ALA 184 N 0.78 0.00 -0.39 7.54 0.00 -1.23 -3.33 119.26 122.63 1irm h ALA 184 Ca 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.80 1irm h ALA 184 Cb 0.29 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1irm h ALA 184 CO 0.00 0.11 0.58 0.00 0.00 0.00 0.00 179.25 179.94 1irm h ARG 185 N -0.33 0.00 -0.20 0.00 2.47 -0.99 0.33 114.38 115.66 1irm h ARG 185 Ca 0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 1irm h ARG 185 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1irm h ARG 185 CO 0.00 0.00 -0.30 1.98 0.56 0.00 0.00 179.97 182.21 1irm h MET 186 N 0.00 0.39 -0.01 0.04 4.05 -1.58 -2.98 114.93 114.83 1irm h MET 186 Ca 0.19 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1irm h MET 186 Cb 1.33 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1irm h MET 186 CO -0.00 0.65 -0.23 0.09 0.23 0.00 0.00 176.91 177.65 1irm n ASN 187 N -4.10 1.17 -0.40 1.39 4.13 0.11 -3.14 115.26 114.42 1irm n ASN 187 Ca -0.01 -1.02 0.06 0.00 1.68 0.00 0.00 54.58 55.30 1irm n ASN 187 Cb 0.42 0.13 0.24 0.00 -1.54 0.00 0.00 39.78 39.03 1irm n ASN 187 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1irm n THR 188 N -0.48 0.24 -2.71 3.41 -2.24 -1.13 -4.71 114.28 106.66 1irm n THR 188 Ca 0.13 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1irm n THR 188 Cb 0.36 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1irm n THR 188 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1irm s LEU 189 N -1.23 3.77 -0.51 3.22 1.02 -1.19 -4.99 118.68 118.77 1irm s LEU 189 Ca 0.22 -0.44 -0.28 0.00 0.02 0.00 0.00 54.13 53.64 1irm s LEU 189 Cb 0.11 -2.72 0.02 0.00 0.02 0.00 0.00 46.19 43.62 1irm s LEU 189 CO 0.16 -1.50 1.27 -0.70 0.02 0.00 0.00 176.35 175.60 1irm s GLU 190 N 4.68 3.54 -0.02 1.70 2.12 -1.26 -5.02 118.70 124.44 1irm s GLU 190 Ca 0.32 0.54 0.03 0.00 0.36 0.00 0.00 54.97 56.22 1irm s GLU 190 Cb -0.11 -4.01 -0.00 0.00 0.26 0.00 0.00 34.13 30.27 1irm s GLU 190 CO 0.17 -1.63 -0.10 0.00 -0.54 0.00 0.00 175.26 173.17 1irm s MET 191 N 4.93 0.91 0.92 4.30 0.23 -1.26 -5.10 119.30 124.23 1irm s MET 191 Ca 0.50 -0.34 -0.10 0.00 -1.03 0.00 0.00 55.69 54.72 1irm s MET 191 Cb -0.09 -0.86 0.15 0.00 -1.53 0.00 0.00 34.83 32.49 1irm s MET 191 CO 0.29 0.17 1.14 0.95 -2.03 0.00 0.00 175.02 175.54 1irm s THR 192 N -0.03 2.12 -2.00 3.16 -4.23 -1.26 -4.82 115.64 108.59 1irm s THR 192 Ca 0.00 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.63 1irm s THR 192 Cb -0.06 -2.09 0.21 0.00 1.34 0.00 0.00 72.50 71.90 1irm s THR 192 CO 0.00 -0.05 0.86 -2.65 -0.54 0.00 0.00 174.62 172.24 1irm n PRO 193 N -4.23 0.27 -0.08 3.99 -0.02 -1.26 -2.50 135.00 131.18 1irm n PRO 193 Ca 0.11 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.52 1irm n PRO 193 Cb 0.52 -1.42 -0.11 0.00 -0.02 0.00 0.00 33.50 32.47 1irm n PRO 193 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1irm n GLU 194 N -0.92 1.48 0.24 -0.52 0.00 -1.26 -4.39 120.64 115.27 1irm n GLU 194 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.35 1irm n GLU 194 Cb 0.03 -1.38 0.44 0.00 0.00 0.00 0.00 31.44 30.53 1irm n GLU 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1irm h VAL 195 N 0.00 0.14 0.00 6.31 2.07 -1.83 -2.71 116.25 120.22 1irm h VAL 195 Ca -0.40 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 1irm h VAL 195 Cb 1.89 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 1irm h VAL 195 CO 0.01 0.06 -0.31 0.50 0.02 0.00 0.00 177.57 177.86 1irm h LYS 196 N 0.00 0.00 0.00 1.57 3.64 -1.75 -2.95 116.57 117.07 1irm h LYS 196 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1irm h LYS 196 Cb 0.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1irm h LYS 196 CO 0.01 0.31 -0.59 1.25 -2.27 0.00 0.00 179.45 178.15 1irm h HIS 197 N 0.00 0.00 0.00 1.91 2.76 -1.69 -2.84 115.15 115.29 1irm h HIS 197 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1irm h HIS 197 Cb 1.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.97 1irm h HIS 197 CO 0.00 0.25 -0.70 0.54 -1.30 0.00 0.00 177.93 176.72 1irm n ARG 198 N -3.02 0.10 -0.08 5.26 1.74 -1.22 -3.22 116.66 116.22 1irm n ARG 198 Ca 0.00 0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.95 1irm n ARG 198 Cb 0.65 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 1irm n ARG 198 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1irm h VAL 199 N 0.00 1.01 -0.91 1.55 2.07 -1.57 -3.26 116.25 115.14 1irm h VAL 199 Ca 0.00 -1.97 0.21 0.00 0.82 0.00 0.00 66.70 65.76 1irm h VAL 199 Cb 0.58 2.11 -0.12 0.00 -1.52 0.00 0.00 31.29 32.35 1irm h VAL 199 CO 0.00 0.34 0.45 0.71 0.02 0.00 0.00 177.57 179.09 1irm h THR 200 N -1.00 0.55 -0.74 2.57 1.35 -1.63 0.55 112.91 114.57 1irm h THR 200 Ca -0.15 -0.17 0.07 0.00 -0.55 0.00 0.00 66.41 65.61 1irm h THR 200 Cb 0.96 0.01 -0.06 0.00 -1.73 0.00 0.00 68.15 67.33 1irm h THR 200 CO -0.09 0.09 0.41 -0.33 -0.25 0.00 0.00 175.52 175.35 1irm h GLU 201 N 0.50 0.71 -0.12 4.72 4.39 -1.68 0.19 114.58 123.29 1irm h GLU 201 Ca 0.56 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1irm h GLU 201 Cb 1.00 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1irm h GLU 201 CO -0.48 0.47 0.00 -1.91 -1.16 0.00 0.00 179.01 175.93 1irm n GLU 202 N -4.77 1.36 0.00 2.33 4.07 0.18 -2.17 120.64 121.64 1irm n GLU 202 Ca 0.11 -0.56 0.08 0.00 -0.06 0.00 0.00 57.16 56.73 1irm n GLU 202 Cb 0.22 -1.25 0.03 0.00 -0.06 0.00 0.00 31.44 30.38 1irm n GLU 202 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1irm n ALA 203 N -0.15 2.88 -0.04 4.31 0.00 0.65 -3.25 120.51 124.90 1irm n ALA 203 Ca 0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 1irm n ALA 203 Cb 0.17 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 1irm n ALA 203 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1irm n LYS 204 N 0.29 2.41 -0.14 0.00 5.02 -0.97 -4.14 118.16 120.63 1irm n LYS 204 Ca 0.08 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 1irm n LYS 204 Cb 0.36 -1.22 0.04 0.00 -0.02 0.00 0.00 35.03 34.19 1irm n LYS 204 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1irm h THR 205 N 0.00 1.27 0.00 -0.18 2.02 -1.58 0.36 112.91 114.80 1irm h THR 205 Ca -0.21 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1irm h THR 205 Cb 1.44 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1irm h THR 205 CO 0.01 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.36 1irm h ALA 206 N 0.97 1.00 0.00 6.16 0.00 -1.77 0.02 119.26 125.65 1irm h ALA 206 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1irm h ALA 206 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1irm h ALA 206 CO 0.06 0.00 -0.17 0.35 0.00 0.00 0.00 179.25 179.49 1irm h PHE 207 N 0.00 0.16 -0.00 0.00 3.57 -1.08 -1.57 116.94 118.02 1irm h PHE 207 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1irm h PHE 207 Cb 0.51 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1irm h PHE 207 CO 0.00 0.91 0.00 1.28 -2.23 0.00 0.00 178.31 178.27 1irm n LEU 208 N -4.57 0.06 -0.05 0.59 4.32 0.10 -2.70 117.00 114.76 1irm n LEU 208 Ca -0.10 -0.02 -0.04 0.00 -0.02 0.00 0.00 56.01 55.83 1irm n LEU 208 Cb 0.47 -0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.26 1irm n LEU 208 CO 0.37 0.01 -0.33 0.18 -1.22 0.00 0.00 177.39 176.40 1irm n LEU 209 N -0.92 1.24 -0.37 2.23 4.77 -0.04 -2.50 117.00 121.40 1irm n LEU 209 Ca 0.22 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 1irm n LEU 209 Cb 0.11 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.52 1irm n LEU 209 CO 0.17 -0.42 0.58 -1.13 -1.33 0.00 0.00 177.39 175.25 1irm h ASN 210 N -0.66 -1.51 0.00 -1.43 -0.00 -1.37 -1.60 115.58 109.01 1irm h ASN 210 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 56.30 56.61 1irm h ASN 210 Cb 0.49 0.77 0.00 0.00 -0.00 0.00 0.00 38.32 39.58 1irm h ASN 210 CO 0.00 -0.28 0.00 -0.38 -0.00 0.00 0.00 177.43 176.77 1irm n ILE 211 N -5.44 0.00 0.00 2.57 5.41 -1.10 -2.40 119.36 118.40 1irm n ILE 211 Ca 0.09 0.40 0.00 0.00 1.00 0.00 0.00 62.75 64.24 1irm n ILE 211 Cb 0.38 -1.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 1irm n ILE 211 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1irm n GLU 212 N 0.00 0.00 0.00 0.38 -0.00 -1.04 0.31 120.64 120.29 1irm n GLU 212 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1irm n GLU 212 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1irm n GLU 212 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1irm n LEU 213 N -2.15 0.00 -0.14 -1.84 7.94 -0.63 -1.97 117.00 118.21 1irm n LEU 213 Ca 0.00 0.96 0.28 0.00 -1.11 0.00 0.00 56.01 56.14 1irm n LEU 213 Cb 0.00 -0.46 0.72 0.00 0.53 0.00 0.00 43.42 44.21 1irm n LEU 213 CO 0.00 -0.46 1.25 -0.26 -1.11 0.00 0.00 177.39 176.82 1irm h PHE 214 N 0.00 0.00 0.00 1.96 -1.00 0.51 0.14 116.94 118.55 1irm h PHE 214 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1irm h PHE 214 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1irm h PHE 214 CO -0.06 0.00 -0.43 0.93 -1.61 0.00 0.00 178.31 177.14 1irm h GLU 215 N 0.00 0.00 0.00 1.51 5.08 -1.36 -2.49 114.58 117.31 1irm h GLU 215 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1irm h GLU 215 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1irm h GLU 215 CO -0.00 0.43 -0.06 1.49 -1.00 0.00 0.00 179.01 179.86 1irm h GLU 216 N 0.00 0.00 -0.29 2.33 4.81 -0.16 -3.37 114.58 117.89 1irm h GLU 216 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1irm h GLU 216 Cb 1.11 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1irm h GLU 216 CO 0.06 0.00 -0.14 1.28 -0.73 0.00 0.00 179.01 179.47 1irm n LEU 217 N -2.76 -0.25 -4.45 1.64 4.77 -0.11 -1.83 117.00 114.02 1irm n LEU 217 Ca -0.01 0.51 -0.44 0.00 -0.03 0.00 0.00 56.01 56.04 1irm n LEU 217 Cb 0.03 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1irm n LEU 217 CO 0.01 -0.44 1.19 -1.58 -1.33 0.00 0.00 177.39 175.24 1irm s GLN 218 N -5.21 3.91 0.00 3.23 -0.44 -0.94 -2.67 119.66 117.53 1irm s GLN 218 Ca -0.04 -2.32 0.00 0.00 -2.50 0.00 0.00 55.36 50.50 1irm s GLN 218 Cb 0.05 -4.96 0.00 0.00 -1.64 0.00 0.00 33.01 26.45 1irm s GLN 218 CO 0.19 -1.73 0.00 0.00 0.50 0.00 0.00 175.29 174.26 1irm n ALA 219 N 5.76 0.00 0.27 1.58 0.00 -0.76 -4.83 120.51 122.53 1irm n ALA 219 Ca 0.31 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.90 1irm n ALA 219 Cb 0.45 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.65 1irm n ALA 219 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1irm h LEU 220 N 0.00 0.00 0.00 0.00 3.38 -1.25 -1.78 115.31 115.66 1irm h LEU 220 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1irm h LEU 220 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1irm h LEU 220 CO 0.00 0.09 -1.08 0.00 0.09 0.00 0.00 178.44 177.54 1irm n LEU 221 N -3.38 0.85 0.00 1.67 -0.00 -1.26 -5.08 117.00 109.79 1irm n LEU 221 Ca -0.01 -0.44 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 1irm n LEU 221 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 1irm n LEU 221 CO 0.28 0.21 0.00 0.41 -0.00 0.00 0.00 177.39 178.30 1irm n THR 222 N -1.57 0.00 1.77 1.47 -1.04 -0.67 -5.20 114.28 109.03 1irm n THR 222 Ca 0.03 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.18 1irm n THR 222 Cb 0.34 0.00 0.84 0.00 -1.82 0.00 0.00 70.33 69.69 1irm n THR 222 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81