#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irl n PRO 2 N 0.00 1.18 -0.02 0.00 -0.01 -1.26 -4.77 135.00 130.11 1irl n PRO 2 Ca 0.00 0.13 -0.03 0.00 -0.01 0.00 0.00 63.50 63.59 1irl n PRO 2 Cb 0.00 -3.23 -0.01 0.00 -0.01 0.00 0.00 33.50 30.25 1irl n PRO 2 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1irl n THR 3 N 7.88 0.71 -0.31 3.45 -1.04 -1.26 -2.53 114.28 121.17 1irl n THR 3 Ca 0.38 0.28 0.03 0.00 -2.04 0.00 0.00 64.05 62.70 1irl n THR 3 Cb 0.48 -1.69 0.18 0.00 -1.82 0.00 0.00 70.33 67.47 1irl n THR 3 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1irl h SER 4 N -0.32 0.77 -0.42 8.00 0.02 -2.04 0.13 113.55 119.70 1irl h SER 4 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1irl h SER 4 Cb 0.32 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1irl h SER 4 CO 0.00 0.45 0.19 0.28 -1.14 0.00 0.00 176.83 176.60 1irl h SER 5 N 0.88 0.61 0.00 3.07 0.02 -1.96 -3.46 113.55 112.72 1irl h SER 5 Ca 0.42 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1irl h SER 5 Cb 0.35 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1irl h SER 5 CO -0.24 0.56 0.00 -1.20 -1.14 0.00 0.00 176.83 174.81 1irl n SER 6 N -4.36 -1.23 0.23 3.07 7.64 0.45 -4.88 113.62 114.54 1irl n SER 6 Ca 0.04 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.98 1irl n SER 6 Cb 0.15 -1.15 0.53 0.00 -1.01 0.00 0.00 64.21 62.73 1irl n SER 6 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1irl h THR 7 N 0.00 1.05 0.00 0.44 1.35 -1.84 -3.37 112.91 110.54 1irl h THR 7 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1irl h THR 7 Cb 0.11 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1irl h THR 7 CO 0.00 0.19 -0.21 0.29 -0.25 0.00 0.00 175.52 175.53 1irl n LYS 8 N -4.19 4.52 0.11 4.72 5.02 -1.26 -4.74 118.16 122.34 1irl n LYS 8 Ca -0.02 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1irl n LYS 8 Cb 0.26 -0.59 0.46 0.00 -0.02 0.00 0.00 35.03 35.13 1irl n LYS 8 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1irl n LYS 9 N -0.33 0.14 -0.05 1.97 4.81 -1.05 -0.97 118.16 122.67 1irl n LYS 9 Ca 0.00 0.46 0.07 0.00 -0.87 0.00 0.00 58.31 57.97 1irl n LYS 9 Cb 0.00 -1.82 0.44 0.00 0.02 0.00 0.00 35.03 33.67 1irl n LYS 9 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1irl h THR 10 N 0.00 1.02 -0.39 3.15 2.02 -1.86 0.18 112.91 117.02 1irl h THR 10 Ca 0.00 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 1irl h THR 10 Cb 0.23 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1irl h THR 10 CO 0.00 0.10 -0.14 -0.61 0.37 0.00 0.00 175.52 175.24 1irl h GLN 11 N 0.52 0.72 0.52 6.66 4.15 -1.40 -2.41 115.11 123.87 1irl h GLN 11 Ca 0.22 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1irl h GLN 11 Cb 0.20 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 27.83 1irl h GLN 11 CO -0.06 0.82 -0.25 1.25 -1.93 0.00 0.00 178.83 178.67 1irl h LEU 12 N 0.65 -0.59 -1.98 -2.39 5.85 -0.72 -1.67 115.31 114.46 1irl h LEU 12 Ca 0.11 -0.06 0.25 0.00 0.84 0.00 0.00 57.88 59.02 1irl h LEU 12 Cb 0.60 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1irl h LEU 12 CO 0.04 -0.22 0.62 1.56 -0.34 0.00 0.00 178.44 180.10 1irl h GLN 13 N -1.02 0.01 0.13 1.25 4.20 -1.43 0.15 115.11 118.40 1irl h GLN 13 Ca -0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1irl h GLN 13 Cb 0.62 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1irl h GLN 13 CO 0.12 0.01 -0.06 1.25 -0.67 0.00 0.00 178.83 179.48 1irl h LEU 14 N 0.02 -0.14 -2.28 1.46 6.46 -1.07 -2.50 115.31 117.26 1irl h LEU 14 Ca 0.41 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1irl h LEU 14 Cb 1.63 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.59 1irl h LEU 14 CO -0.01 0.10 0.17 -0.33 -0.62 0.00 0.00 178.44 177.76 1irl h GLU 15 N -0.40 0.00 0.18 1.25 5.08 0.23 -1.98 114.58 118.94 1irl h GLU 15 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1irl h GLU 15 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1irl h GLU 15 CO 0.03 0.00 -0.09 1.25 -1.00 0.00 0.00 179.01 179.20 1irl h HIS 16 N 0.00 -0.23 -0.33 4.33 -0.00 -1.00 0.99 115.15 118.91 1irl h HIS 16 Ca 0.07 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.46 1irl h HIS 16 Cb 0.42 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.87 1irl h HIS 16 CO 0.00 0.17 0.15 -0.07 -0.00 0.00 0.00 177.93 178.18 1irl h LEU 17 N -0.73 0.20 -1.14 0.26 3.38 -1.19 -0.82 115.31 115.27 1irl h LEU 17 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1irl h LEU 17 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1irl h LEU 17 CO 0.04 0.15 0.00 -0.07 0.09 0.00 0.00 178.44 178.65 1irl h LEU 18 N 0.31 0.00 -0.05 1.67 3.38 -1.47 -2.04 115.31 117.11 1irl h LEU 18 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1irl h LEU 18 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1irl h LEU 18 CO -0.12 0.00 -0.24 0.25 0.09 0.00 0.00 178.44 178.42 1irl h LEU 19 N 0.00 0.30 0.00 1.67 6.46 0.65 -2.35 115.31 122.04 1irl h LEU 19 Ca 0.00 -0.65 -0.08 0.00 -0.12 0.00 0.00 57.88 57.03 1irl h LEU 19 Cb 0.53 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1irl h LEU 19 CO 0.00 0.90 -0.58 0.44 -0.62 0.00 0.00 178.44 178.58 1irl h ASP 20 N -0.29 0.00 0.03 1.25 3.32 -1.39 -2.75 116.42 116.60 1irl h ASP 20 Ca -0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.83 1irl h ASP 20 Cb 0.89 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.46 1irl h ASP 20 CO 0.05 0.36 -0.82 -0.07 -1.72 0.00 0.00 179.24 177.04 1irl h LEU 21 N 0.00 0.66 -0.03 1.55 3.38 -1.44 -2.40 115.31 117.03 1irl h LEU 21 Ca -0.03 -0.79 -0.08 0.00 0.09 0.00 0.00 57.88 57.07 1irl h LEU 21 Cb 1.30 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1irl h LEU 21 CO 0.04 1.37 -0.30 1.56 0.09 0.00 0.00 178.44 181.21 1irl h GLN 22 N 0.03 0.25 -0.52 1.13 4.20 -1.53 -0.59 115.11 118.08 1irl h GLN 22 Ca -0.11 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 1irl h GLN 22 Cb 1.53 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.34 1irl h GLN 22 CO 0.16 0.91 0.11 0.52 -0.67 0.00 0.00 178.83 179.87 1irl h MET 23 N -0.33 0.81 0.00 1.46 2.86 -1.62 -2.58 114.93 115.53 1irl h MET 23 Ca -0.03 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1irl h MET 23 Cb 0.99 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1irl h MET 23 CO 0.06 0.74 0.00 -0.89 1.06 0.00 0.00 176.91 177.88 1irl n ILE 24 N -4.27 0.00 0.30 -1.22 2.08 -0.90 -4.38 119.36 110.96 1irl n ILE 24 Ca 0.04 0.40 0.19 0.00 0.56 0.00 0.00 62.75 63.93 1irl n ILE 24 Cb 0.23 -1.28 0.95 0.00 -0.75 0.00 0.00 39.64 38.79 1irl n ILE 24 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1irl h LEU 25 N 0.00 0.00 -1.13 1.39 4.07 -1.26 -1.78 115.31 116.60 1irl h LEU 25 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 1irl h LEU 25 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1irl h LEU 25 CO 0.00 0.00 -0.36 -1.13 -1.08 0.00 0.00 178.44 175.87 1irl h ASN 26 N 0.00 0.14 -0.09 -0.43 -0.73 -1.41 -1.93 115.58 111.13 1irl h ASN 26 Ca 0.00 -0.05 -0.11 0.00 1.87 0.00 0.00 56.30 58.01 1irl h ASN 26 Cb 0.13 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1irl h ASN 26 CO 0.00 0.50 -0.36 1.23 -0.37 0.00 0.00 177.43 178.42 1irl h GLY 27 N 1.13 0.45 2.00 1.57 0.00 -1.52 -3.09 103.07 103.61 1irl h GLY 27 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1irl h GLY 27 CO 0.05 0.54 0.00 1.19 0.00 0.00 0.00 176.54 178.32 1irl h ILE 28 N -0.05 0.00 -0.26 2.60 2.10 -1.50 -2.24 117.51 118.17 1irl h ILE 28 Ca -0.02 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1irl h ILE 28 Cb 1.00 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 1irl h ILE 28 CO 0.08 0.00 0.00 -3.20 -1.08 0.00 0.00 178.15 173.95 1irl n ASN 29 N -2.43 1.43 -1.61 2.19 5.15 -0.74 -3.90 115.26 115.35 1irl n ASN 29 Ca 0.02 -1.98 0.03 0.00 -0.60 0.00 0.00 54.58 52.04 1irl n ASN 29 Cb 0.24 -0.18 0.29 0.00 -0.53 0.00 0.00 39.78 39.61 1irl n ASN 29 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1irl n ASN 30 N 0.28 4.54 -4.56 1.20 2.85 -0.84 -4.83 115.26 113.89 1irl n ASN 30 Ca 0.09 -2.77 -0.35 0.00 -0.11 0.00 0.00 54.58 51.45 1irl n ASN 30 Cb 0.23 -0.66 -0.04 0.00 1.24 0.00 0.00 39.78 40.55 1irl n ASN 30 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1irl s TYR 31 N -2.37 2.22 -0.48 1.20 2.02 -1.25 -4.78 117.35 113.90 1irl s TYR 31 Ca 0.42 -0.20 -0.00 0.00 -0.37 0.00 0.00 57.07 56.92 1irl s TYR 31 Cb 0.32 -4.41 0.39 0.00 -0.40 0.00 0.00 41.96 37.87 1irl s TYR 31 CO 0.12 -1.85 1.95 1.63 -1.57 0.00 0.00 175.55 175.83 1irl n LYS 32 N 8.86 2.23 -3.46 -0.62 5.02 -1.26 -4.93 118.16 124.01 1irl n LYS 32 Ca 0.36 -2.51 -0.37 0.00 -2.02 0.00 0.00 58.31 53.77 1irl n LYS 32 Cb 0.49 -1.98 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 1irl n LYS 32 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1irl s ASN 33 N -0.94 6.42 0.00 4.39 -0.87 -1.26 -4.95 114.94 117.73 1irl s ASN 33 Ca 0.49 0.49 0.24 0.00 -1.57 0.00 0.00 52.86 52.51 1irl s ASN 33 Cb 0.39 -2.21 1.27 0.00 -0.02 0.00 0.00 41.25 40.69 1irl s ASN 33 CO 0.02 0.00 1.80 -0.81 -2.57 0.00 0.00 177.10 175.54 1irl n PRO 34 N 4.10 0.45 -2.75 -0.60 -0.04 -1.26 -3.90 135.00 131.00 1irl n PRO 34 Ca -0.10 0.05 -0.35 0.00 -0.04 0.00 0.00 63.50 63.06 1irl n PRO 34 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1irl n PRO 34 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1irl n LYS 35 N -1.22 4.42 -1.15 0.54 5.02 -1.26 -4.83 118.16 119.68 1irl n LYS 35 Ca 0.13 -4.73 -0.25 0.00 -2.02 0.00 0.00 58.31 51.44 1irl n LYS 35 Cb 0.16 -2.36 0.04 0.00 -0.02 0.00 0.00 35.03 32.85 1irl n LYS 35 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1irl n LEU 36 N -0.16 6.91 0.09 -0.35 4.77 -1.25 -4.40 117.00 122.61 1irl n LEU 36 Ca 0.40 -3.78 -0.07 0.00 -0.03 0.00 0.00 56.01 52.54 1irl n LEU 36 Cb 0.32 -1.06 0.02 0.00 -2.33 0.00 0.00 43.42 40.38 1irl n LEU 36 CO 0.44 1.39 0.31 0.71 -1.33 0.00 0.00 177.39 178.90 1irl h THR 37 N 1.17 1.49 -0.07 -5.08 1.35 -1.95 -2.81 112.91 107.02 1irl h THR 37 Ca 0.42 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 1irl h THR 37 Cb 0.81 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1irl h THR 37 CO 1.07 0.74 0.00 0.54 -0.25 0.00 0.00 175.52 177.61 1irl n ARG 38 N -3.68 1.56 0.00 4.72 5.12 -1.26 -3.63 116.66 119.50 1irl n ARG 38 Ca -0.03 -0.83 0.10 0.00 -1.93 0.00 0.00 57.85 55.16 1irl n ARG 38 Cb 0.77 -1.44 -0.09 0.00 -1.16 0.00 0.00 32.46 30.54 1irl n ARG 38 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1irl n MET 39 N 0.03 0.11 0.33 5.56 1.56 -1.06 -4.07 117.12 119.58 1irl n MET 39 Ca 0.18 -0.03 0.22 0.00 -0.27 0.00 0.00 57.70 57.81 1irl n MET 39 Cb 0.30 -1.51 1.17 0.00 2.15 0.00 0.00 33.22 35.32 1irl n MET 39 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1irl h LEU 40 N 0.00 0.00 -1.25 -0.89 7.12 -1.62 -2.57 115.31 116.11 1irl h LEU 40 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1irl h LEU 40 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1irl h LEU 40 CO 0.00 0.00 0.48 0.71 -0.13 0.00 0.00 178.44 179.50 1irl h THR 41 N 0.00 0.00 -0.75 1.05 1.35 -1.83 -2.83 112.91 109.90 1irl h THR 41 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 1irl h THR 41 Cb 0.04 0.42 -0.12 0.00 -1.73 0.00 0.00 68.15 66.75 1irl h THR 41 CO 0.00 0.00 -0.43 0.00 -0.25 0.00 0.00 175.52 174.84 1irl h ALA 42 N 0.97 -0.19 -4.11 6.62 0.00 -1.77 -3.44 119.26 117.35 1irl h ALA 42 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1irl h ALA 42 Cb 0.96 1.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1irl h ALA 42 CO 0.00 -0.77 -0.16 1.17 0.00 0.00 0.00 179.25 179.49 1irl n LYS 43 N -5.41 -2.45 -1.79 0.00 4.81 -0.89 -4.75 118.16 107.68 1irl n LYS 43 Ca 0.04 0.31 -0.42 0.00 -0.87 0.00 0.00 58.31 57.38 1irl n LYS 43 Cb 0.35 -4.82 -0.03 0.00 0.02 0.00 0.00 35.03 30.56 1irl n LYS 43 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1irl s PHE 44 N -2.23 2.53 -1.28 5.64 0.08 -0.35 -4.51 117.98 117.86 1irl s PHE 44 Ca 0.00 0.24 -0.08 0.00 0.12 0.00 0.00 56.93 57.20 1irl s PHE 44 Cb 0.00 -4.09 0.16 0.00 -0.57 0.00 0.00 43.02 38.52 1irl s PHE 44 CO 0.00 -4.31 1.97 0.98 -0.10 0.00 0.00 175.22 173.76 1irl n TYR 45 N 4.97 2.82 -1.62 0.36 4.19 -1.26 -1.79 117.16 124.82 1irl n TYR 45 Ca 0.16 -2.78 -0.40 0.00 3.31 0.00 0.00 57.90 58.19 1irl n TYR 45 Cb 0.38 -1.89 0.03 0.00 0.49 0.00 0.00 39.34 38.34 1irl n TYR 45 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1irl n MET 46 N 3.30 1.28 -1.10 2.98 0.00 -1.26 -4.76 117.12 117.56 1irl n MET 46 Ca 0.44 0.47 -0.32 0.00 0.00 0.00 0.00 57.70 58.29 1irl n MET 46 Cb 0.34 -2.13 0.12 0.00 0.00 0.00 0.00 33.22 31.54 1irl n MET 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1irl s PRO 47 N -2.29 1.78 0.01 3.17 0.04 -1.26 -4.21 135.00 132.23 1irl s PRO 47 Ca 0.67 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1irl s PRO 47 Cb -0.50 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1irl s PRO 47 CO 0.54 -2.05 0.91 0.87 0.04 0.00 0.00 177.00 177.31 1irl h LYS 48 N -1.22 -0.37 -6.36 4.56 1.57 -1.81 -3.46 116.57 109.48 1irl h LYS 48 Ca -0.44 0.03 -0.49 0.00 -1.87 0.00 0.00 60.65 57.88 1irl h LYS 48 Cb 1.26 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 1irl h LYS 48 CO 0.47 -0.25 -0.24 0.15 -0.57 0.00 0.00 179.45 179.02 1irl s LYS 49 N -3.39 2.48 -0.34 3.15 1.02 -1.26 -5.07 119.74 116.33 1irl s LYS 49 Ca -0.06 -1.58 0.04 0.00 0.02 0.00 0.00 55.97 54.40 1irl s LYS 49 Cb 0.01 -2.52 0.33 0.00 -0.52 0.00 0.00 37.83 35.12 1irl s LYS 49 CO 0.17 -0.52 1.37 0.00 -0.92 0.00 0.00 175.35 175.46 1irl n ALA 50 N -1.90 -2.83 0.85 5.17 0.00 -1.26 -4.96 120.51 115.57 1irl n ALA 50 Ca 0.08 -0.54 0.10 0.00 0.00 0.00 0.00 53.44 53.08 1irl n ALA 50 Cb 0.61 -2.87 0.03 0.00 0.00 0.00 0.00 19.45 17.22 1irl n ALA 50 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1irl n THR 51 N 0.47 0.00 -4.48 0.00 5.66 -1.26 -4.88 114.28 109.79 1irl n THR 51 Ca -0.04 -0.36 -0.23 0.00 -3.05 0.00 0.00 64.05 60.36 1irl n THR 51 Cb 0.75 1.29 -0.11 0.00 -1.55 0.00 0.00 70.33 70.72 1irl n THR 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1irl s GLU 52 N -2.02 1.72 0.00 1.09 0.41 -1.26 -4.91 118.70 113.72 1irl s GLU 52 Ca 0.18 -1.96 0.18 0.00 -0.41 0.00 0.00 54.97 52.96 1irl s GLU 52 Cb 0.16 -0.98 1.06 0.00 -1.78 0.00 0.00 34.13 32.59 1irl s GLU 52 CO 0.41 -0.18 1.69 1.28 -0.49 0.00 0.00 175.26 177.97 1irl n LEU 53 N -0.75 0.08 0.01 1.80 4.32 -1.26 -3.63 117.00 117.58 1irl n LEU 53 Ca -0.03 -0.03 -0.18 0.00 -0.02 0.00 0.00 56.01 55.75 1irl n LEU 53 Cb 0.67 -0.01 -0.11 0.00 -1.62 0.00 0.00 43.42 42.35 1irl n LEU 53 CO 0.43 0.02 0.23 0.50 -1.22 0.00 0.00 177.39 177.35 1irl h LYS 54 N 0.11 0.39 0.00 3.23 3.64 -1.99 -3.15 116.57 118.79 1irl h LYS 54 Ca 0.00 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1irl h LYS 54 Cb 0.02 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1irl h LYS 54 CO 0.00 1.11 0.00 0.45 -2.27 0.00 0.00 179.45 178.74 1irl h HIS 55 N -0.15 0.00 0.00 1.91 3.86 -1.93 -2.51 115.15 116.33 1irl h HIS 55 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1irl h HIS 55 Cb 1.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.81 1irl h HIS 55 CO 0.15 0.00 0.04 -0.07 0.86 0.00 0.00 177.93 178.92 1irl h LEU 56 N 0.00 0.00 -1.84 2.43 3.38 -1.75 -2.13 115.31 115.40 1irl h LEU 56 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1irl h LEU 56 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1irl h LEU 56 CO 0.00 0.00 -0.14 1.56 0.09 0.00 0.00 178.44 179.95 1irl h GLN 57 N 0.00 0.00 0.00 1.13 4.20 -1.67 -2.10 115.11 116.67 1irl h GLN 57 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1irl h GLN 57 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1irl h GLN 57 CO 0.00 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.30 1irl h LEU 59 N 0.00 1.01 -1.13 0.00 3.38 -1.60 -1.49 115.31 115.48 1irl h LEU 59 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1irl h LEU 59 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1irl h LEU 59 CO 0.00 0.71 -0.08 1.05 0.09 0.00 0.00 178.44 180.22 1irl h GLU 60 N 1.18 0.51 0.00 1.13 4.11 -1.69 -2.87 114.58 116.95 1irl h GLU 60 Ca 0.35 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 1irl h GLU 60 Cb -0.06 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1irl h GLU 60 CO -0.09 0.60 -0.83 1.49 0.07 0.00 0.00 179.01 180.25 1irl h GLU 61 N 0.48 0.00 0.00 1.06 4.81 -1.66 -3.31 114.58 115.97 1irl h GLU 61 Ca 0.10 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1irl h GLU 61 Cb 0.43 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1irl h GLU 61 CO 0.02 0.05 -0.07 0.93 -0.73 0.00 0.00 179.01 179.21 1irl h GLU 62 N 0.00 0.00 0.00 1.92 4.39 -1.05 -2.77 114.58 117.07 1irl h GLU 62 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1irl h GLU 62 Cb 1.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1irl h GLU 62 CO 0.01 0.07 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.75 1irl h LEU 63 N 0.00 0.00 0.37 1.33 4.07 -1.63 -2.67 115.31 116.79 1irl h LEU 63 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1irl h LEU 63 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1irl h LEU 63 CO 0.01 0.11 -0.18 0.11 -1.08 0.00 0.00 178.44 177.42 1irl h LYS 64 N 0.00 -0.48 -0.24 1.13 1.57 -1.72 -1.59 116.57 115.24 1irl h LYS 64 Ca -0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1irl h LYS 64 Cb 0.33 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1irl h LYS 64 CO 0.01 -0.26 0.07 -1.00 -0.57 0.00 0.00 179.45 177.71 1irl h PRO 65 N -1.09 0.33 0.00 3.15 0.13 -1.72 -1.75 132.00 131.06 1irl h PRO 65 Ca -0.05 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1irl h PRO 65 Cb 0.44 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1irl h PRO 65 CO 0.08 0.30 -0.15 1.25 -0.23 0.00 0.00 178.00 179.25 1irl h LEU 66 N 0.33 0.00 -0.81 1.56 5.85 -1.55 -3.28 115.31 117.41 1irl h LEU 66 Ca 0.08 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1irl h LEU 66 Cb 0.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1irl h LEU 66 CO -0.01 0.15 0.17 -0.08 -0.34 0.00 0.00 178.44 178.34 1irl h GLU 67 N 0.00 1.06 -0.05 1.25 4.81 -0.33 -1.61 114.58 119.71 1irl h GLU 67 Ca -0.00 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1irl h GLU 67 Cb 1.08 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1irl h GLU 67 CO 0.02 0.93 0.02 1.49 -0.73 0.00 0.00 179.01 180.74 1irl h GLU 68 N 1.01 0.07 0.00 1.92 4.81 -1.62 -2.17 114.58 118.60 1irl h GLU 68 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1irl h GLU 68 Cb 0.34 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1irl h GLU 68 CO -0.00 0.20 -0.07 0.28 -0.73 0.00 0.00 179.01 178.70 1irl h VAL 69 N -0.08 0.31 0.00 0.32 2.07 -1.66 -2.16 116.25 115.05 1irl h VAL 69 Ca 0.02 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1irl h VAL 69 Cb 0.16 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1irl h VAL 69 CO -0.00 0.07 -0.08 0.25 0.02 0.00 0.00 177.57 177.82 1irl h LEU 70 N 0.00 0.00 -1.19 2.57 6.46 -0.61 -2.34 115.31 120.20 1irl h LEU 70 Ca -0.00 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1irl h LEU 70 Cb 0.31 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.18 1irl h LEU 70 CO 0.01 0.08 0.57 -1.13 -0.62 0.00 0.00 178.44 177.35 1irl h ASN 71 N 0.00 0.84 1.16 1.25 -0.73 -1.37 -0.79 115.58 115.94 1irl h ASN 71 Ca -0.00 0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.06 1irl h ASN 71 Cb 0.15 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 1irl h ASN 71 CO 0.01 0.52 -0.60 -0.07 -0.37 0.00 0.00 177.43 176.92 1irl h LEU 72 N 0.94 0.00 -3.70 0.34 3.38 -1.60 -3.10 115.31 111.57 1irl h LEU 72 Ca 0.39 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.90 1irl h LEU 72 Cb 0.30 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.80 1irl h LEU 72 CO -0.16 0.60 0.59 0.00 0.09 0.00 0.00 178.44 179.56 1irl n ALA 73 N -2.29 5.27 -3.80 1.53 0.00 -0.36 -4.78 120.51 116.09 1irl n ALA 73 Ca 0.01 -2.51 -0.34 0.00 0.00 0.00 0.00 53.44 50.59 1irl n ALA 73 Cb 0.72 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 1irl n ALA 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1irl s GLN 74 N -2.83 2.29 0.04 0.00 0.74 -0.87 -4.04 119.66 114.99 1irl s GLN 74 Ca 0.49 -2.45 0.00 0.00 0.05 0.00 0.00 55.36 53.44 1irl s GLN 74 Cb 0.40 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1irl s GLN 74 CO 0.07 -1.13 0.00 0.43 -0.55 0.00 0.00 175.29 174.11 1irl n SER 75 N 3.53 -0.38 0.00 6.67 7.64 -1.26 -5.04 113.62 124.77 1irl n SER 75 Ca 0.06 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1irl n SER 75 Cb 0.37 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 1irl n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1irl n LYS 76 N -2.42 0.00 0.06 1.43 5.02 -1.26 -4.82 118.16 116.17 1irl n LYS 76 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1irl n LYS 76 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1irl n LYS 76 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1irl h ASN 77 N 0.00 -1.33 -1.05 4.39 2.35 -1.88 -2.43 115.58 115.63 1irl h ASN 77 Ca 0.00 0.15 -0.52 0.00 -0.55 0.00 0.00 56.30 55.37 1irl h ASN 77 Cb 0.00 0.50 -0.17 0.00 0.05 0.00 0.00 38.32 38.70 1irl h ASN 77 CO 0.00 -0.43 0.62 0.33 -1.65 0.00 0.00 177.43 176.30 1irl n PHE 78 N -4.88 1.67 1.32 1.19 7.35 -1.26 -4.55 117.46 118.31 1irl n PHE 78 Ca -0.06 -2.04 0.11 0.00 -0.76 0.00 0.00 57.45 54.70 1irl n PHE 78 Cb 0.32 -1.44 0.42 0.00 0.35 0.00 0.00 39.48 39.13 1irl n PHE 78 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1irl n HIS 79 N 1.03 0.16 -1.91 -5.13 1.44 -0.92 -4.59 115.22 105.30 1irl n HIS 79 Ca 0.50 -0.08 -0.40 0.00 -2.01 0.00 0.00 57.72 55.73 1irl n HIS 79 Cb 0.52 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 1irl n HIS 79 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1irl s LEU 80 N -1.65 3.41 0.21 2.39 1.43 -1.26 -4.84 118.68 118.37 1irl s LEU 80 Ca 0.33 0.98 -0.14 0.00 -1.03 0.00 0.00 54.13 54.27 1irl s LEU 80 Cb 0.18 -3.01 0.22 0.00 0.03 0.00 0.00 46.19 43.60 1irl s LEU 80 CO 0.27 -2.14 1.63 0.03 0.23 0.00 0.00 176.35 176.37 1irl h ARG 81 N 14.82 -0.01 -5.60 1.70 3.08 -2.01 -3.30 114.38 123.05 1irl h ARG 81 Ca -0.30 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.46 1irl h ARG 81 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 1irl h ARG 81 CO 1.11 -0.01 0.81 -1.25 -1.07 0.00 0.00 179.97 179.57 1irl s PRO 82 N -6.22 2.47 0.38 0.04 0.04 -1.26 -4.67 135.00 125.79 1irl s PRO 82 Ca -0.14 -0.58 0.25 0.00 0.04 0.00 0.00 61.00 60.57 1irl s PRO 82 Cb 0.19 -5.12 0.61 0.00 0.04 0.00 0.00 34.50 30.22 1irl s PRO 82 CO 0.73 -3.67 1.70 0.00 0.04 0.00 0.00 177.00 175.80 1irl h ARG 83 N 10.79 0.00 0.00 4.56 3.08 -1.99 -3.13 114.38 127.68 1irl h ARG 83 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1irl h ARG 83 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1irl h ARG 83 CO 1.20 0.00 0.19 -0.44 -1.07 0.00 0.00 179.97 179.85 1irl h ASP 84 N 0.00 0.00 -0.89 7.04 5.19 -1.93 -2.76 116.42 123.08 1irl h ASP 84 Ca 0.00 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.62 1irl h ASP 84 Cb 0.85 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.24 1irl h ASP 84 CO 0.00 0.00 0.40 -0.07 -3.12 0.00 0.00 179.24 176.45 1irl h LEU 85 N 0.00 0.37 -0.58 1.55 3.38 -1.95 0.78 115.31 118.86 1irl h LEU 85 Ca 0.00 0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1irl h LEU 85 Cb 0.38 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1irl h LEU 85 CO 0.00 0.04 -0.18 -0.29 0.09 0.00 0.00 178.44 178.10 1irl h ILE 86 N 0.44 1.27 0.00 1.22 6.09 -1.78 -0.78 117.51 123.97 1irl h ILE 86 Ca 0.54 -1.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 1irl h ILE 86 Cb 0.99 1.08 0.00 0.00 0.47 0.00 0.00 36.82 39.36 1irl h ILE 86 CO -0.50 0.46 0.00 -1.28 -3.07 0.00 0.00 178.15 173.76 1irl h SER 87 N 0.83 0.00 0.74 2.19 0.87 -0.43 -1.38 113.55 116.37 1irl h SER 87 Ca 0.12 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.45 1irl h SER 87 Cb 0.73 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1irl h SER 87 CO 0.06 0.00 -1.03 -1.13 -0.53 0.00 0.00 176.83 174.20 1irl h ASN 88 N 0.00 0.22 -0.55 6.23 -1.24 0.18 -2.62 115.58 117.79 1irl h ASN 88 Ca 0.00 -0.21 -0.03 0.00 0.71 0.00 0.00 56.30 56.76 1irl h ASN 88 Cb 0.37 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 1irl h ASN 88 CO 0.00 1.11 0.24 0.40 -1.29 0.00 0.00 177.43 177.89 1irl h ILE 89 N 0.06 1.21 -0.03 2.57 2.04 -0.39 0.22 117.51 123.19 1irl h ILE 89 Ca -0.06 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 1irl h ILE 89 Cb 1.74 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1irl h ILE 89 CO 0.15 0.26 -0.33 -1.13 0.00 0.00 0.00 178.15 177.10 1irl h ASN 90 N 0.84 0.05 1.18 1.72 -1.24 -1.33 -1.57 115.58 115.24 1irl h ASN 90 Ca 0.20 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.11 1irl h ASN 90 Cb 0.16 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1irl h ASN 90 CO -0.02 0.39 -0.40 0.58 -1.29 0.00 0.00 177.43 176.68 1irl h VAL 91 N 0.05 0.80 0.00 2.57 2.07 -0.64 -2.59 116.25 118.51 1irl h VAL 91 Ca 0.00 -1.78 -0.15 0.00 0.82 0.00 0.00 66.70 65.60 1irl h VAL 91 Cb 0.62 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1irl h VAL 91 CO 0.05 0.40 -1.11 0.40 0.02 0.00 0.00 177.57 177.32 1irl h ILE 92 N 0.00 0.65 0.00 4.57 2.04 -0.52 -2.08 117.51 122.17 1irl h ILE 92 Ca -0.00 -2.10 -0.15 0.00 1.00 0.00 0.00 64.86 63.60 1irl h ILE 92 Cb 1.10 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 1irl h ILE 92 CO 0.05 0.37 -0.72 -0.37 0.00 0.00 0.00 178.15 177.48 1irl h VAL 93 N 0.00 1.41 -0.15 1.67 -1.51 -1.28 -0.78 116.25 115.61 1irl h VAL 93 Ca -0.11 -2.56 -0.20 0.00 -1.23 0.00 0.00 66.70 62.60 1irl h VAL 93 Cb 1.52 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 33.11 1irl h VAL 93 CO 0.05 0.71 -0.71 -0.07 -1.23 0.00 0.00 177.57 176.32 1irl h LEU 94 N 0.00 0.77 -0.67 4.19 3.38 -1.47 -2.75 115.31 118.76 1irl h LEU 94 Ca -0.01 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 1irl h LEU 94 Cb 1.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1irl h LEU 94 CO 0.09 1.25 -0.58 -0.08 0.09 0.00 0.00 178.44 179.22 1irl h GLU 95 N 0.46 0.00 -0.32 1.13 4.81 -1.23 -3.05 114.58 116.38 1irl h GLU 95 Ca -0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1irl h GLU 95 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1irl h GLU 95 CO 0.14 0.58 0.03 1.25 -0.73 0.00 0.00 179.01 180.28 1irl h LEU 96 N 0.00 0.53 0.00 1.64 6.46 -1.05 -3.47 115.31 119.42 1irl h LEU 96 Ca -0.01 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1irl h LEU 96 Cb 1.14 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1irl h LEU 96 CO 0.08 0.68 0.00 1.17 -0.62 0.00 0.00 178.44 179.75 1irl n LYS 97 N -4.58 0.00 -3.90 1.25 3.00 -1.05 -5.04 118.16 107.85 1irl n LYS 97 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.99 1irl n LYS 97 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.27 1irl n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1irl n GLY 98 N -0.97 -0.55 3.92 3.14 0.00 -1.20 -4.82 105.19 104.71 1irl n GLY 98 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1irl n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1irl s SER 99 N -3.97 6.40 0.00 1.61 0.01 -1.26 -4.90 113.70 111.59 1irl s SER 99 Ca 0.22 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1irl s SER 99 Cb -0.09 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1irl s SER 99 CO 0.90 -0.10 0.00 -0.62 0.41 0.00 0.00 173.24 173.82 1irl n GLU 100 N -0.83 0.00 -3.22 12.44 1.02 -1.26 -4.88 120.64 123.91 1irl n GLU 100 Ca -0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 1irl n GLU 100 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.94 1irl n GLU 100 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1irl s THR 101 N 0.00 -0.88 -0.77 2.62 2.01 -1.26 -5.08 115.64 112.28 1irl s THR 101 Ca 0.00 -0.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.59 1irl s THR 101 Cb 0.00 -0.36 -0.06 0.00 0.01 0.00 0.00 72.50 72.09 1irl s THR 101 CO 0.00 -0.10 2.04 0.42 -0.69 0.00 0.00 174.62 176.29 1irl s THR 102 N 2.04 3.31 -0.31 -0.82 -4.23 -1.26 -4.86 115.64 109.50 1irl s THR 102 Ca 0.14 -0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 1irl s THR 102 Cb -0.07 -3.73 0.10 0.00 1.34 0.00 0.00 72.50 70.14 1irl s THR 102 CO -0.12 -0.69 0.12 0.12 -0.54 0.00 0.00 174.62 173.51 1irl s PHE 103 N 10.80 1.21 0.26 3.99 5.36 -1.26 -5.11 117.98 133.23 1irl s PHE 103 Ca 0.76 -1.49 -0.31 0.00 -0.96 0.00 0.00 56.93 54.92 1irl s PHE 103 Cb -0.10 -1.41 -0.12 0.00 -0.34 0.00 0.00 43.02 41.05 1irl s PHE 103 CO 0.09 -0.85 1.62 -1.33 -1.46 0.00 0.00 175.22 173.29 1irl n MET 104 N 4.84 2.65 -1.54 10.12 2.81 -1.26 -4.77 117.12 129.98 1irl n MET 104 Ca -0.02 0.95 -0.35 0.00 -1.81 0.00 0.00 57.70 56.47 1irl n MET 104 Cb 0.41 -2.74 -0.07 0.00 -0.71 0.00 0.00 33.22 30.11 1irl n MET 104 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1irl s GLU 106 N 8.48 3.23 0.12 0.00 2.12 -1.26 -4.98 118.70 126.42 1irl s GLU 106 Ca 1.08 -0.73 -0.14 0.00 0.36 0.00 0.00 54.97 55.54 1irl s GLU 106 Cb -0.46 -5.12 -0.07 0.00 0.26 0.00 0.00 34.13 28.75 1irl s GLU 106 CO 0.31 -2.54 0.52 0.71 -0.54 0.00 0.00 175.26 173.72 1irl s TYR 107 N 6.60 3.62 0.00 5.30 1.51 -1.26 -3.57 117.35 129.55 1irl s TYR 107 Ca 0.52 1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 1irl s TYR 107 Cb -0.03 -2.33 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1irl s TYR 107 CO -0.04 0.46 0.06 0.00 -1.11 0.00 0.00 175.55 174.93 1irl n ALA 108 N 0.92 -0.17 0.00 3.71 0.00 -1.26 -4.91 120.51 118.80 1irl n ALA 108 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1irl n ALA 108 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1irl n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1irl n ASP 109 N -0.30 0.00 0.00 0.00 2.03 -1.26 -4.58 116.55 112.45 1irl n ASP 109 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1irl n ASP 109 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1irl n ASP 109 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1irl n GLU 110 N 0.00 0.00 -1.48 -0.67 1.02 -1.26 -5.16 120.64 113.09 1irl n GLU 110 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1irl n GLU 110 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 31.59 1irl n GLU 110 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1irl s THR 111 N -2.00 1.92 0.13 2.62 -4.23 -1.26 -4.77 115.64 108.06 1irl s THR 111 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1irl s THR 111 Cb 0.00 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1irl s THR 111 CO 0.00 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.20 1irl s ALA 112 N -3.30 0.56 0.25 3.99 0.00 -0.74 -4.98 121.76 117.54 1irl s ALA 112 Ca 0.67 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1irl s ALA 112 Cb -0.12 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1irl s ALA 112 CO 0.54 -0.53 0.00 0.25 0.00 0.00 0.00 175.76 176.02 1irl n THR 113 N -0.11 0.00 0.44 0.00 -2.24 -1.26 -1.21 114.28 109.89 1irl n THR 113 Ca -0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 1irl n THR 113 Cb 0.63 -0.56 0.22 0.00 -2.10 0.00 0.00 70.33 68.51 1irl n THR 113 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1irl h ILE 114 N 0.00 0.00 0.00 2.28 2.10 -1.89 -3.28 117.51 116.72 1irl h ILE 114 Ca 0.00 -0.68 -0.06 0.00 1.08 0.00 0.00 64.86 65.21 1irl h ILE 114 Cb 0.00 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.19 1irl h ILE 114 CO 0.00 0.00 -0.28 0.58 -1.08 0.00 0.00 178.15 177.37 1irl h VAL 115 N 0.00 0.53 0.02 2.19 2.07 -1.97 -3.11 116.25 115.98 1irl h VAL 115 Ca 0.00 -1.56 -0.26 0.00 0.82 0.00 0.00 66.70 65.70 1irl h VAL 115 Cb 0.84 2.11 0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1irl h VAL 115 CO 0.00 0.28 -1.04 -0.08 0.02 0.00 0.00 177.57 176.74 1irl h GLU 116 N 0.00 0.56 -0.35 1.57 4.57 -1.93 -2.73 114.58 116.26 1irl h GLU 116 Ca -0.00 -0.63 -0.13 0.00 -1.18 0.00 0.00 59.36 57.41 1irl h GLU 116 Cb 1.09 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1irl h GLU 116 CO 0.04 1.25 -0.31 0.35 -1.18 0.00 0.00 179.01 179.15 1irl h PHE 117 N 0.30 0.89 0.02 0.92 3.04 -1.69 -0.21 116.94 120.20 1irl h PHE 117 Ca -0.12 -0.23 -0.00 0.00 3.98 0.00 0.00 57.97 61.60 1irl h PHE 117 Cb 1.70 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 40.01 1irl h PHE 117 CO 0.09 0.98 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.27 1irl h LEU 118 N 0.65 -0.02 -2.50 0.59 3.38 -1.55 -2.54 115.31 113.30 1irl h LEU 118 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1irl h LEU 118 Cb 0.84 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1irl h LEU 118 CO 0.07 -0.01 0.00 -1.13 0.09 0.00 0.00 178.44 177.46 1irl h ASN 119 N -0.02 0.00 0.69 -0.43 -0.73 -1.56 -2.71 115.58 110.82 1irl h ASN 119 Ca -0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 1irl h ASN 119 Cb 0.02 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.61 1irl h ASN 119 CO 0.00 0.00 -0.33 0.03 -0.37 0.00 0.00 177.43 176.76 1irl h ARG 120 N 0.00 -0.90 0.03 6.67 2.47 -0.61 -1.57 114.38 120.47 1irl h ARG 120 Ca 0.00 0.06 -0.23 0.00 -1.26 0.00 0.00 59.98 58.55 1irl h ARG 120 Cb 0.00 0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1irl h ARG 120 CO 0.00 -0.57 -1.09 -1.49 0.56 0.00 0.00 179.97 177.38 1irl h TRP 121 N -1.17 0.10 0.03 3.04 -0.00 -1.40 -0.56 115.95 115.98 1irl h TRP 121 Ca -0.09 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.89 58.72 1irl h TRP 121 Cb 0.74 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.89 1irl h TRP 121 CO 0.00 1.06 -0.01 0.82 -0.00 0.00 0.00 178.44 180.30 1irl h ILE 122 N 0.01 1.29 0.00 1.49 2.04 -1.60 -2.57 117.51 118.18 1irl h ILE 122 Ca -0.05 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1irl h ILE 122 Cb 1.82 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1irl h ILE 122 CO 0.14 0.27 -0.11 0.74 0.00 0.00 0.00 178.15 179.18 1irl h THR 123 N -0.50 0.38 -0.14 -0.27 2.02 -1.38 -2.60 112.91 110.42 1irl h THR 123 Ca -0.00 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.54 1irl h THR 123 Cb 0.47 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1irl h THR 123 CO 0.01 0.11 0.05 0.15 0.37 0.00 0.00 175.52 176.21 1irl h PHE 124 N 0.00 0.10 0.00 3.16 3.04 -0.71 -1.10 116.94 121.43 1irl h PHE 124 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1irl h PHE 124 Cb 0.46 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1irl h PHE 124 CO 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 178.31 176.34 1irl h GLN 126 N 0.00 0.00 0.00 0.00 4.20 -1.56 -2.02 115.11 115.73 1irl h GLN 126 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1irl h GLN 126 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1irl h GLN 126 CO 0.00 0.00 -0.48 1.03 -0.67 0.00 0.00 178.83 178.71 1irl h SER 127 N 0.00 0.00 -0.27 1.46 0.87 -1.20 -3.24 113.55 111.17 1irl h SER 127 Ca 0.17 -0.14 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1irl h SER 127 Cb 1.78 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 1irl h SER 127 CO -0.00 0.83 0.46 -0.29 -0.53 0.00 0.00 176.83 177.30 1irl h ILE 128 N -1.00 0.20 0.15 2.23 2.10 -0.81 -0.49 117.51 119.89 1irl h ILE 128 Ca -0.06 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.56 1irl h ILE 128 Cb 0.55 0.60 -0.00 0.00 -1.09 0.00 0.00 36.82 36.87 1irl h ILE 128 CO -0.03 0.00 -1.64 0.40 -1.08 0.00 0.00 178.15 175.79 1irl h ILE 129 N 0.00 1.04 0.00 2.19 1.08 -1.62 -3.17 117.51 117.04 1irl h ILE 129 Ca 0.13 -2.66 0.00 0.00 -0.39 0.00 0.00 64.86 61.94 1irl h ILE 129 Cb 1.05 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 1irl h ILE 129 CO -0.00 0.83 0.00 0.28 -0.69 0.00 0.00 178.15 178.57 1irl h SER 130 N 0.09 0.00 0.17 1.72 0.02 -1.12 -2.23 113.55 112.20 1irl h SER 130 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1irl h SER 130 Cb 2.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.60 1irl h SER 130 CO 0.17 0.00 -1.11 1.07 -1.14 0.00 0.00 176.83 175.82 1irl n THR 131 N -2.72 0.05 -0.05 -2.27 5.66 -1.06 -4.32 114.28 109.57 1irl n THR 131 Ca -0.00 -0.14 -0.11 0.00 -3.05 0.00 0.00 64.05 60.75 1irl n THR 131 Cb 0.20 0.55 -0.05 0.00 -1.55 0.00 0.00 70.33 69.48 1irl n THR 131 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1irl h LEU 132 N 0.00 0.24 -0.97 1.09 6.46 -1.36 -3.52 115.31 117.25 1irl h LEU 132 Ca 0.00 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1irl h LEU 132 Cb 0.64 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1irl h LEU 132 CO 0.00 0.33 0.00 1.07 -0.62 0.00 0.00 178.44 179.22