#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn h SER 2 N 0.00 0.48 -4.37 1.61 0.87 -2.14 -3.45 113.55 106.56 2yrn h SER 2 Ca 0.00 -0.37 -0.38 0.00 -1.23 0.00 0.00 61.79 59.81 2yrn h SER 2 Cb 0.00 -0.13 -0.20 0.00 -0.44 0.00 0.00 62.40 61.63 2yrn h SER 2 CO 0.00 0.74 -0.76 -0.44 -0.53 0.00 0.00 176.83 175.84 2yrn s SER 3 N -6.08 1.65 0.00 6.23 0.01 -1.26 -5.15 113.70 109.10 2yrn s SER 3 Ca -0.14 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2yrn s SER 3 Cb 0.07 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2yrn s SER 3 CO 0.76 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.87 2yrn n GLY 4 N 0.93 0.84 3.53 3.44 0.00 -1.26 -5.06 105.19 107.61 2yrn n GLY 4 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2yrn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrn s SER 5 N -1.00 4.26 -0.00 1.61 1.04 -1.26 -5.06 113.70 113.29 2yrn s SER 5 Ca 0.00 -0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.00 2yrn s SER 5 Cb 0.00 -0.88 -0.10 0.00 0.10 0.00 0.00 66.02 65.14 2yrn s SER 5 CO 0.00 0.28 0.86 0.28 0.98 0.00 0.00 173.24 175.64 2yrn h SER 6 N 4.59 -0.54 -4.70 7.02 0.02 -2.05 -3.50 113.55 114.39 2yrn h SER 6 Ca -0.48 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2yrn h SER 6 Cb 1.16 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2yrn h SER 6 CO 0.51 -0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 2yrn n GLY 7 N -0.17 3.77 3.39 -3.77 0.00 -1.26 -4.87 105.19 102.28 2yrn n GLY 7 Ca -0.08 -1.62 -0.45 0.00 0.00 0.00 0.00 46.02 43.87 2yrn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yrn s LYS 8 N -3.90 3.73 -0.95 1.61 1.02 -1.26 -4.40 119.74 115.60 2yrn s LYS 8 Ca 0.00 -2.32 -0.05 0.00 0.02 0.00 0.00 55.97 53.61 2yrn s LYS 8 Cb 0.00 -4.69 0.01 0.00 -0.52 0.00 0.00 37.83 32.63 2yrn s LYS 8 CO 0.00 -1.51 0.70 -2.13 -0.92 0.00 0.00 175.35 171.49 2yrn n ARG 9 N 4.91 -4.83 -3.17 1.68 0.63 -1.26 -5.00 116.66 109.61 2yrn n ARG 9 Ca 0.21 0.57 -0.38 0.00 -0.92 0.00 0.00 57.85 57.34 2yrn n ARG 9 Cb 0.46 -4.80 -0.06 0.00 0.45 0.00 0.00 32.46 28.51 2yrn n ARG 9 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2yrn s LYS 10 N -5.73 4.27 0.10 -0.14 2.20 -1.26 -5.03 119.74 114.13 2yrn s LYS 10 Ca 0.35 0.83 -0.31 0.00 -0.36 0.00 0.00 55.97 56.48 2yrn s LYS 10 Cb -0.15 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 2yrn s LYS 10 CO 0.43 0.54 1.37 -1.25 -0.36 0.00 0.00 175.35 176.08 2yrn s PRO 11 N -1.46 4.33 -0.12 4.03 0.04 -1.26 -5.02 135.00 135.53 2yrn s PRO 11 Ca 0.35 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.31 2yrn s PRO 11 Cb -0.19 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.09 2yrn s PRO 11 CO 0.21 -0.43 0.33 0.54 0.04 0.00 0.00 177.00 177.69 2yrn s VAL 12 N 1.24 0.00 0.05 -0.36 0.11 -1.26 -5.17 120.40 115.01 2yrn s VAL 12 Ca 0.64 -0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.74 2yrn s VAL 12 Cb -0.36 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2yrn s VAL 12 CO 0.30 -0.00 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.29 2yrn s ILE 13 N 0.16 1.14 -0.76 7.04 1.01 -1.26 -5.10 121.20 123.44 2yrn s ILE 13 Ca -0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 2yrn s ILE 13 Cb -0.02 -1.05 0.19 0.00 0.01 0.00 0.00 42.46 41.59 2yrn s ILE 13 CO 0.00 -0.07 0.61 -1.00 0.00 0.00 0.00 174.94 174.49 2yrn s HIS 14 N -0.99 3.64 0.52 3.97 3.76 -1.26 -5.07 115.29 119.85 2yrn s HIS 14 Ca 0.01 -2.80 -0.14 0.00 -0.15 0.00 0.00 55.06 51.97 2yrn s HIS 14 Cb -0.09 -3.26 -0.12 0.00 1.11 0.00 0.00 32.58 30.22 2yrn s HIS 14 CO 0.02 -0.80 -0.26 0.41 -0.85 0.00 0.00 174.74 173.25 2yrn n GLY 15 N 3.01 -2.92 0.31 -2.22 0.00 -1.26 -3.64 105.19 98.47 2yrn n GLY 15 Ca 0.14 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.97 2yrn n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yrn n LEU 16 N 2.24 -0.20 -0.11 0.99 4.77 -1.26 0.23 117.00 123.67 2yrn n LEU 16 Ca 0.04 1.49 -0.05 0.00 -0.03 0.00 0.00 56.01 57.46 2yrn n LEU 16 Cb 0.40 -0.50 0.14 0.00 -2.33 0.00 0.00 43.42 41.13 2yrn n LEU 16 CO 0.43 -1.47 0.84 -0.33 -1.33 0.00 0.00 177.39 175.53 2yrn h GLU 17 N 0.00 0.80 -0.74 3.23 4.39 -2.01 -2.79 114.58 117.47 2yrn h GLU 17 Ca 0.48 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 2yrn h GLU 17 Cb 0.88 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.41 2yrn h GLU 17 CO -0.85 0.84 0.35 -0.44 -1.16 0.00 0.00 179.01 177.75 2yrn h ASP 18 N 0.74 0.95 0.13 1.42 5.19 0.27 -2.96 116.42 122.16 2yrn h ASP 18 Ca 0.13 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2yrn h ASP 18 Cb 0.52 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 2yrn h ASP 18 CO 0.03 0.80 -0.10 1.56 -3.12 0.00 0.00 179.24 178.41 2yrn h GLN 19 N 1.04 -0.23 -0.71 3.56 4.20 -0.78 -2.85 115.11 119.35 2yrn h GLN 19 Ca 0.25 0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.12 2yrn h GLN 19 Cb 0.10 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 27.80 2yrn h GLN 19 CO -0.03 -0.15 -0.17 1.17 -0.67 0.00 0.00 178.83 178.98 2yrn n LYS 20 N -5.21 -0.06 0.36 1.46 4.81 -1.12 -0.01 118.16 118.39 2yrn n LYS 20 Ca -0.08 1.10 -0.17 0.00 -0.87 0.00 0.00 58.31 58.30 2yrn n LYS 20 Cb 0.14 -1.65 -0.08 0.00 0.02 0.00 0.00 35.03 33.46 2yrn n LYS 20 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2yrn h ARG 21 N 0.00 -0.98 -0.80 1.64 2.43 -1.61 0.11 114.38 115.17 2yrn h ARG 21 Ca 0.34 0.07 0.27 0.00 -0.81 0.00 0.00 59.98 59.85 2yrn h ARG 21 Cb 0.53 0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 30.16 2yrn h ARG 21 CO -0.72 -0.65 0.18 -0.89 -1.51 0.00 0.00 179.97 176.37 2yrn n ILE 22 N -5.05 -0.34 -0.04 1.20 5.41 0.99 0.49 119.36 122.01 2yrn n ILE 22 Ca -0.12 1.71 -0.14 0.00 1.00 0.00 0.00 62.75 65.20 2yrn n ILE 22 Cb 0.42 -2.60 -0.12 0.00 -0.71 0.00 0.00 39.64 36.63 2yrn n ILE 22 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2yrn h TYR 23 N 0.00 0.01 -0.98 1.39 0.05 -1.10 -3.12 116.97 113.23 2yrn h TYR 23 Ca 0.56 -0.01 0.29 0.00 0.05 0.00 0.00 58.73 59.62 2yrn h TYR 23 Cb 1.31 -0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.87 2yrn h TYR 23 CO -0.25 0.79 0.11 1.15 -1.05 0.00 0.00 178.16 178.90 2yrn h THR 24 N -0.77 0.04 -0.38 -2.88 2.02 0.27 1.05 112.91 112.26 2yrn h THR 24 Ca -0.00 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 67.04 2yrn h THR 24 Cb 0.79 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2yrn h THR 24 CO 0.00 0.00 -0.28 -0.78 0.37 0.00 0.00 175.52 174.83 2yrn h ASP 25 N 0.02 0.84 0.39 4.18 1.82 -1.38 -2.04 116.42 120.24 2yrn h ASP 25 Ca 0.62 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2yrn h ASP 25 Cb 1.34 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 41.09 2yrn h ASP 25 CO -0.88 1.06 -0.42 -0.25 -1.61 0.00 0.00 179.24 177.14 2yrn h TRP 26 N 0.69 -1.15 0.47 0.28 7.01 0.12 -2.71 115.95 120.66 2yrn h TRP 26 Ca 0.08 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 2yrn h TRP 26 Cb 0.82 0.45 0.00 0.00 -2.10 0.00 0.00 29.16 28.34 2yrn h TRP 26 CO 0.04 -0.57 -0.23 0.00 -2.79 0.00 0.00 178.44 174.90 2yrn h ALA 27 N -0.49 -0.64 -0.72 2.65 0.00 -1.35 -3.04 119.26 115.67 2yrn h ALA 27 Ca -0.03 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.86 2yrn h ALA 27 Cb 0.75 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 2yrn h ALA 27 CO -0.08 -0.84 -0.22 0.09 0.00 0.00 0.00 179.25 178.21 2yrn n ASN 28 N -5.35 -0.33 -0.17 0.00 5.03 -0.77 0.12 115.26 113.80 2yrn n ASN 28 Ca -0.12 1.24 -0.04 0.00 0.87 0.00 0.00 54.58 56.53 2yrn n ASN 28 Cb 0.28 -0.34 0.02 0.00 -1.02 0.00 0.00 39.78 38.72 2yrn n ASN 28 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 2yrn h HIS 29 N 0.00 -0.58 -0.93 3.10 2.76 -1.36 0.25 115.15 118.38 2yrn h HIS 29 Ca 0.31 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 2yrn h HIS 29 Cb 0.49 0.34 -0.04 0.00 1.55 0.00 0.00 27.41 29.74 2yrn h HIS 29 CO -0.58 -0.31 0.56 1.88 -1.30 0.00 0.00 177.93 178.17 2yrn h TYR 30 N -0.11 1.24 0.00 5.26 0.05 0.89 0.82 116.97 125.11 2yrn h TYR 30 Ca 0.24 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.95 2yrn h TYR 30 Cb 0.48 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 2yrn h TYR 30 CO -0.52 0.82 -0.28 -0.07 -1.05 0.00 0.00 178.16 177.06 2yrn h LEU 31 N 1.29 0.00 0.00 3.88 3.38 0.15 -1.50 115.31 122.51 2yrn h LEU 31 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2yrn h LEU 31 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2yrn h LEU 31 CO -0.06 0.28 -0.05 0.00 0.09 0.00 0.00 178.44 178.71 2yrn h ALA 32 N 1.72 0.01 -0.64 1.53 0.00 0.31 -1.37 119.26 120.82 2yrn h ALA 32 Ca -0.00 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.56 2yrn h ALA 32 Cb 0.52 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2yrn h ALA 32 CO 0.04 0.03 0.42 1.57 0.00 0.00 0.00 179.25 181.31 2yrn h LYS 33 N -1.00 0.53 -0.98 0.00 2.10 -0.85 -0.06 116.57 116.31 2yrn h LYS 33 Ca -0.01 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 2yrn h LYS 33 Cb 0.82 -0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 31.98 2yrn h LYS 33 CO -0.01 0.35 0.11 0.45 -2.00 0.00 0.00 179.45 178.36 2yrn n SER 34 N -4.48 2.93 -3.76 7.07 2.88 -0.57 -4.89 113.62 112.80 2yrn n SER 34 Ca 0.10 -2.32 -0.25 0.00 -1.33 0.00 0.00 58.87 55.07 2yrn n SER 34 Cb 0.30 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 35 N 0.14 -1.21 3.38 0.46 0.00 -0.04 -4.96 105.19 102.97 2yrn n GLY 35 Ca 0.12 0.65 -0.32 0.00 0.00 0.00 0.00 46.02 46.46 2yrn n GLY 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yrn s HIS 36 N -2.88 2.58 -0.57 1.61 5.04 -0.52 -5.03 115.29 115.53 2yrn s HIS 36 Ca 0.03 -0.40 -0.02 0.00 -1.54 0.00 0.00 55.06 53.13 2yrn s HIS 36 Cb -0.00 -1.62 0.24 0.00 0.04 0.00 0.00 32.58 31.23 2yrn s HIS 36 CO 0.89 0.00 2.30 0.36 -2.34 0.00 0.00 174.74 175.96 2yrn n LYS 37 N 2.62 2.42 -3.64 2.88 2.85 -1.26 -4.75 118.16 119.28 2yrn n LYS 37 Ca -0.17 -2.66 -0.06 0.00 -1.05 0.00 0.00 58.31 54.37 2yrn n LYS 37 Cb 0.52 -2.10 -0.07 0.00 -0.65 0.00 0.00 35.03 32.73 2yrn n LYS 37 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2yrn s ARG 38 N -2.72 0.27 0.26 -1.58 3.52 -1.26 -5.19 118.95 112.26 2yrn s ARG 38 Ca 0.53 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 56.45 2yrn s ARG 38 Cb 0.39 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.92 2yrn s ARG 38 CO -0.19 -0.03 0.06 1.28 -0.81 0.00 0.00 175.30 175.60 2yrn n LEU 39 N 1.84 0.00 -4.38 -0.88 4.77 -1.26 -4.85 117.00 112.24 2yrn n LEU 39 Ca -0.11 -1.57 -0.42 0.00 -0.03 0.00 0.00 56.01 53.88 2yrn n LEU 39 Cb 0.56 0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.68 2yrn n LEU 39 CO 0.02 -0.28 -0.10 -0.63 -1.33 0.00 0.00 177.39 175.07 2yrn s ILE 40 N -1.78 4.78 -0.08 -0.08 1.01 -1.26 -4.96 121.20 118.83 2yrn s ILE 40 Ca 0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 2yrn s ILE 40 Cb -0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 2yrn s ILE 40 CO 0.03 -0.35 -0.04 0.03 0.00 0.00 0.00 174.94 174.60 2yrn h ARG 41 N 8.53 0.00 -4.31 2.79 2.47 -1.97 -3.44 114.38 118.45 2yrn h ARG 41 Ca -0.26 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 57.77 2yrn h ARG 41 Cb 1.10 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.08 2yrn h ARG 41 CO 0.73 0.00 -0.51 -0.51 0.56 0.00 0.00 179.97 180.24 2yrn s ASP 42 N -4.89 5.26 0.41 7.04 1.01 -1.26 -4.95 116.67 119.29 2yrn s ASP 42 Ca -0.04 -2.19 0.23 0.00 0.71 0.00 0.00 52.55 51.27 2yrn s ASP 42 Cb 0.00 -1.84 1.25 0.00 1.01 0.00 0.00 42.92 43.35 2yrn s ASP 42 CO 0.05 -0.51 1.70 0.25 0.21 0.00 0.00 175.17 176.87 2yrn h LEU 43 N 7.86 0.35 -0.25 1.23 5.85 -1.92 1.65 115.31 130.09 2yrn h LEU 43 Ca -0.11 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2yrn h LEU 43 Cb 1.03 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2yrn h LEU 43 CO 0.71 -0.05 -0.16 1.56 -0.34 0.00 0.00 178.44 180.16 2yrn h GLN 44 N 0.25 0.54 -0.62 1.25 4.20 -1.93 -2.83 115.11 115.97 2yrn h GLN 44 Ca 0.70 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 59.16 2yrn h GLN 44 Cb 1.99 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.76 2yrn h GLN 44 CO -0.36 0.82 0.00 1.04 -0.67 0.00 0.00 178.83 179.66 2yrn n GLN 45 N -4.45 2.92 -0.10 1.46 6.02 0.13 -4.08 117.38 119.29 2yrn n GLN 45 Ca -0.04 -2.29 -0.11 0.00 -0.01 0.00 0.00 57.00 54.55 2yrn n GLN 45 Cb 0.38 -1.66 -0.13 0.00 1.02 0.00 0.00 30.24 29.85 2yrn n GLN 45 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2yrn n ASP 46 N 1.04 1.18 -2.14 1.08 9.92 0.52 -4.49 116.55 123.66 2yrn n ASP 46 Ca 0.21 -0.04 -0.29 0.00 -0.53 0.00 0.00 54.79 54.14 2yrn n ASP 46 Cb 0.66 0.50 0.08 0.00 -0.64 0.00 0.00 41.12 41.72 2yrn n ASP 46 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2yrn n VAL 47 N -2.83 3.20 -0.04 2.53 0.24 -1.08 -4.23 118.33 116.13 2yrn n VAL 47 Ca -0.33 -3.21 -0.15 0.00 -2.04 0.00 0.00 64.34 58.61 2yrn n VAL 47 Cb 1.03 -1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 32.22 2yrn n VAL 47 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2yrn n THR 48 N -0.89 1.64 0.18 3.34 -2.24 -1.26 -4.28 114.28 110.77 2yrn n THR 48 Ca 0.55 -0.71 0.11 0.00 -2.27 0.00 0.00 64.05 61.73 2yrn n THR 48 Cb 0.86 -1.31 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 2yrn n THR 48 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2yrn n ASP 49 N -3.22 0.58 0.00 3.42 8.00 -1.26 -4.48 116.55 119.58 2yrn n ASP 49 Ca -0.29 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2yrn n ASP 49 Cb 1.05 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 43.07 2yrn n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yrn n GLY 50 N 1.24 2.68 0.21 0.44 0.00 -1.26 -4.23 105.19 104.27 2yrn n GLY 50 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2yrn n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2yrn h VAL 51 N 0.00 0.00 -1.00 1.61 2.07 -1.90 -0.25 116.25 116.77 2yrn h VAL 51 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 2yrn h VAL 51 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 2yrn h VAL 51 CO 0.00 0.00 0.63 0.25 0.02 0.00 0.00 177.57 178.47 2yrn h LEU 52 N -0.36 0.88 0.16 2.57 6.46 -1.89 -2.12 115.31 121.00 2yrn h LEU 52 Ca -0.01 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2yrn h LEU 52 Cb 0.34 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 2yrn h LEU 52 CO -0.08 0.44 -0.31 0.25 -0.62 0.00 0.00 178.44 178.11 2yrn h LEU 53 N 0.93 -0.89 -0.72 2.25 5.85 -1.61 -2.39 115.31 118.73 2yrn h LEU 53 Ca 0.51 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.43 2yrn h LEU 53 Cb 0.60 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 2yrn h LEU 53 CO -0.29 -0.41 0.35 0.00 -0.34 0.00 0.00 178.44 177.75 2yrn h ALA 54 N 0.07 1.00 -1.68 1.25 0.00 -0.42 -1.08 119.26 118.41 2yrn h ALA 54 Ca 0.02 0.06 0.52 0.00 0.00 0.00 0.00 54.91 55.52 2yrn h ALA 54 Cb 0.57 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 2yrn h ALA 54 CO -0.16 -0.07 1.16 1.96 0.00 0.00 0.00 179.25 182.14 2yrn h GLN 55 N 0.58 0.01 0.00 0.00 4.20 -0.90 0.21 115.11 119.21 2yrn h GLN 55 Ca 0.36 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.91 2yrn h GLN 55 Cb 0.41 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2yrn h GLN 55 CO -0.29 0.00 -0.95 0.82 -0.67 0.00 0.00 178.83 177.75 2yrn h ILE 56 N 0.01 0.93 -0.20 2.54 5.03 -1.23 -3.34 117.51 121.25 2yrn h ILE 56 Ca 0.91 -2.04 0.05 0.00 -0.12 0.00 0.00 64.86 63.66 2yrn h ILE 56 Cb 3.30 2.10 -0.07 0.00 -3.03 0.00 0.00 36.82 39.12 2yrn h ILE 56 CO -0.23 0.31 -0.36 0.40 -0.68 0.00 0.00 178.15 177.60 2yrn h ILE 57 N -1.00 0.23 -0.84 -0.67 2.04 -0.45 0.23 117.51 117.05 2yrn h ILE 57 Ca -0.25 0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.86 2yrn h ILE 57 Cb 1.13 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2yrn h ILE 57 CO -0.15 0.00 0.69 1.56 0.00 0.00 0.00 178.15 180.25 2yrn h GLN 58 N -0.39 0.00 0.00 2.37 4.20 -0.89 0.39 115.11 120.78 2yrn h GLN 58 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2yrn h GLN 58 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2yrn h GLN 58 CO -0.41 0.00 -0.01 0.28 -0.67 0.00 0.00 178.83 178.02 2yrn h VAL 59 N 0.00 0.00 -0.92 -0.54 2.07 -0.77 0.17 116.25 116.26 2yrn h VAL 59 Ca 0.40 -0.09 0.27 0.00 0.82 0.00 0.00 66.70 68.10 2yrn h VAL 59 Cb 1.77 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2yrn h VAL 59 CO -0.00 0.00 0.70 1.62 0.02 0.00 0.00 177.57 179.90 2yrn h VAL 60 N -0.09 0.47 0.00 2.57 3.04 -0.74 0.38 116.25 121.87 2yrn h VAL 60 Ca 0.00 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.48 2yrn h VAL 60 Cb 0.01 0.50 -0.04 0.00 -2.01 0.00 0.00 31.29 29.75 2yrn h VAL 60 CO 0.00 0.00 -1.62 0.00 -1.01 0.00 0.00 177.57 174.94 2yrn n ALA 61 N -2.66 1.85 -2.88 3.17 0.00 0.13 -4.92 120.51 115.19 2yrn n ALA 61 Ca 0.19 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 2yrn n ALA 61 Cb 1.02 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 19.66 2yrn n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2yrn n ASN 62 N -2.86 -3.73 -3.96 0.00 3.02 0.13 -5.03 115.26 102.82 2yrn n ASN 62 Ca -0.13 -0.20 -0.09 0.00 -0.03 0.00 0.00 54.58 54.12 2yrn n ASN 62 Cb 0.90 -2.34 -0.08 0.00 -0.61 0.00 0.00 39.78 37.65 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2yrn s GLU 63 N -5.45 0.96 -0.09 3.52 2.56 0.33 -5.00 118.70 115.53 2yrn s GLU 63 Ca 0.22 -1.14 0.00 0.00 0.00 0.00 0.00 54.97 54.05 2yrn s GLU 63 Cb -0.10 0.33 -0.03 0.00 2.00 0.00 0.00 34.13 36.34 2yrn s GLU 63 CO 0.27 -0.31 -0.08 0.21 -0.56 0.00 0.00 175.26 174.79 2yrn s LYS 64 N -3.94 3.00 -0.37 4.30 2.20 -1.26 -4.07 119.74 119.60 2yrn s LYS 64 Ca 0.13 -0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 54.99 2yrn s LYS 64 Cb 0.05 -2.63 -0.00 0.00 -1.51 0.00 0.00 37.83 33.73 2yrn s LYS 64 CO -0.05 0.51 0.42 0.42 -0.36 0.00 0.00 175.35 176.29 2yrn s ILE 65 N -0.40 5.11 -0.03 5.43 1.01 -1.26 -4.93 121.20 126.13 2yrn s ILE 65 Ca 0.06 -0.01 0.18 0.00 0.00 0.00 0.00 60.65 60.88 2yrn s ILE 65 Cb -0.12 -3.92 0.13 0.00 0.01 0.00 0.00 42.46 38.56 2yrn s ILE 65 CO 0.02 -0.22 1.60 -0.33 0.00 0.00 0.00 174.94 176.02 2yrn h GLU 66 N 8.54 0.00 -1.92 2.79 5.08 -1.99 -3.27 114.58 123.81 2yrn h GLU 66 Ca -0.28 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 2yrn h GLU 66 Cb 1.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 2yrn h GLU 66 CO 0.74 0.39 -0.02 -0.25 -1.00 0.00 0.00 179.01 178.87 2yrn n ASP 67 N -3.32 5.60 -4.11 1.42 9.92 -1.26 -4.79 116.55 120.01 2yrn n ASP 67 Ca 0.01 -2.61 -0.33 0.00 -0.53 0.00 0.00 54.79 51.33 2yrn n ASP 67 Cb 0.61 -1.22 -0.15 0.00 -0.64 0.00 0.00 41.12 39.72 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2yrn s ILE 68 N -0.28 2.36 -0.01 0.53 -1.09 -1.24 -4.46 121.20 117.01 2yrn s ILE 68 Ca 0.31 -1.38 -0.21 0.00 -2.23 0.00 0.00 60.65 57.14 2yrn s ILE 68 Cb 0.17 -2.28 -0.12 0.00 -1.58 0.00 0.00 42.46 38.65 2yrn s ILE 68 CO -0.02 0.10 0.87 -1.13 -1.23 0.00 0.00 174.94 173.53 2yrn h ASN 69 N 7.87 -0.61 -3.83 3.58 -1.24 -1.91 -3.50 115.58 115.92 2yrn h ASN 69 Ca -0.26 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2yrn h ASN 69 Cb 1.07 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.28 2yrn h ASN 69 CO 0.52 -0.21 -0.16 0.61 -1.29 0.00 0.00 177.43 176.90 2yrn n GLY 70 N -0.11 -3.70 2.63 1.57 0.00 -1.26 -4.91 105.19 99.41 2yrn n GLY 70 Ca -0.09 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 2yrn n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrn s PRO 72 N -4.41 3.62 -0.04 0.00 0.04 -1.26 -4.98 135.00 127.97 2yrn s PRO 72 Ca 0.15 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 2yrn s PRO 72 Cb -0.02 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2yrn s PRO 72 CO 0.49 -0.65 -0.04 1.63 0.04 0.00 0.00 177.00 178.46 2yrn n LYS 73 N -0.77 0.09 -2.93 4.56 5.02 -1.26 -4.95 118.16 117.93 2yrn n LYS 73 Ca 0.09 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 56.00 2yrn n LYS 73 Cb 0.49 -0.90 -0.05 0.00 -0.02 0.00 0.00 35.03 34.55 2yrn n LYS 73 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2yrn s ASN 74 N -4.80 7.23 0.49 4.39 3.84 -1.26 -4.91 114.94 119.91 2yrn s ASN 74 Ca -0.06 1.47 0.42 0.00 0.21 0.00 0.00 52.86 54.90 2yrn s ASN 74 Cb 0.02 -2.48 1.56 0.00 -0.55 0.00 0.00 41.25 39.79 2yrn s ASN 74 CO 0.08 -0.05 1.48 -1.14 -2.79 0.00 0.00 177.10 174.68 2yrn n ARG 75 N 3.08 -0.01 0.07 0.43 0.00 -1.26 0.17 116.66 119.14 2yrn n ARG 75 Ca -0.01 1.08 -0.22 0.00 -0.00 0.00 0.00 57.85 58.71 2yrn n ARG 75 Cb 0.50 -2.36 -0.15 0.00 0.00 0.00 0.00 32.46 30.46 2yrn n ARG 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2yrn h SER 76 N 0.00 0.56 -1.36 6.15 0.02 -2.01 -3.30 113.55 113.61 2yrn h SER 76 Ca 0.87 -0.92 0.39 0.00 -0.84 0.00 0.00 61.79 61.29 2yrn h SER 76 Cb 3.26 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 65.57 2yrn h SER 76 CO -0.17 1.56 1.21 1.56 -1.14 0.00 0.00 176.83 179.85 2yrn h GLN 77 N -0.19 0.00 -0.03 3.45 4.20 0.14 1.10 115.11 123.78 2yrn h GLN 77 Ca -0.22 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.35 2yrn h GLN 77 Cb 1.84 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.63 2yrn h GLN 77 CO 0.17 0.00 -0.52 0.52 -0.67 0.00 0.00 178.83 178.32 2yrn h MET 78 N 0.00 0.41 -0.89 1.46 2.86 -1.61 -3.33 114.93 113.83 2yrn h MET 78 Ca 0.64 -0.40 0.12 0.00 -2.06 0.00 0.00 59.70 58.01 2yrn h MET 78 Cb 3.06 0.10 -0.14 0.00 0.06 0.00 0.00 31.60 34.68 2yrn h MET 78 CO -0.01 1.06 -0.44 0.82 1.06 0.00 0.00 176.91 179.40 2yrn h ILE 79 N -0.09 0.03 -0.52 -1.22 1.08 0.11 -0.66 117.51 116.23 2yrn h ILE 79 Ca -0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.47 2yrn h ILE 79 Cb 1.22 0.03 -0.09 0.00 -3.07 0.00 0.00 36.82 34.91 2yrn h ILE 79 CO 0.10 0.00 -0.56 -0.33 -0.69 0.00 0.00 178.15 176.68 2yrn h GLU 80 N -0.06 -0.30 -0.27 2.37 5.08 -1.66 0.19 114.58 119.94 2yrn h GLU 80 Ca 0.26 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2yrn h GLU 80 Cb 0.54 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2yrn h GLU 80 CO -0.90 -0.20 -0.16 0.09 -1.00 0.00 0.00 179.01 176.84 2yrn n ASN 81 N -5.31 -0.29 -0.36 1.42 4.13 -0.27 0.30 115.26 114.90 2yrn n ASN 81 Ca -0.02 1.08 0.05 0.00 1.68 0.00 0.00 54.58 57.37 2yrn n ASN 81 Cb 0.32 -0.36 0.20 0.00 -1.54 0.00 0.00 39.78 38.40 2yrn n ASN 81 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2yrn h ILE 82 N 0.00 0.99 -0.14 2.41 2.04 -1.28 -2.32 117.51 119.21 2yrn h ILE 82 Ca 0.04 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2yrn h ILE 82 Cb 0.11 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 35.99 2yrn h ILE 82 CO -0.25 0.19 -0.18 -0.78 0.00 0.00 0.00 178.15 177.12 2yrn h ASP 83 N 1.05 -0.57 -0.90 1.72 3.58 0.30 -1.40 116.42 120.20 2yrn h ASP 83 Ca 0.46 0.10 0.20 0.00 0.42 0.00 0.00 57.03 58.21 2yrn h ASP 83 Cb 0.34 0.27 -0.11 0.00 1.72 0.00 0.00 39.33 41.54 2yrn h ASP 83 CO -0.22 -0.23 0.44 0.00 -2.88 0.00 0.00 179.24 176.35 2yrn h ALA 84 N 0.80 1.44 -0.16 -0.78 0.00 -0.03 -0.13 119.26 120.40 2yrn h ALA 84 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2yrn h ALA 84 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2yrn h ALA 84 CO -0.27 -0.23 0.04 0.00 0.00 0.00 0.00 179.25 178.79 2yrn h LEU 86 N 0.06 0.03 -0.34 0.00 3.38 -0.14 0.27 115.31 118.57 2yrn h LEU 86 Ca 0.05 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2yrn h LEU 86 Cb 0.25 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2yrn h LEU 86 CO -0.00 0.05 -0.26 0.78 0.09 0.00 0.00 178.44 179.10 2yrn h ASN 87 N 0.17 0.82 -0.87 -0.43 2.35 -1.03 -1.95 115.58 114.65 2yrn h ASN 87 Ca 0.12 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.41 2yrn h ASN 87 Cb 0.12 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 2yrn h ASN 87 CO -0.15 1.09 0.48 0.15 -1.65 0.00 0.00 177.43 177.35 2yrn h PHE 88 N 0.56 1.19 -0.04 1.19 3.04 0.10 -2.89 116.94 120.08 2yrn h PHE 88 Ca 0.06 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2yrn h PHE 88 Cb 0.83 -0.38 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 2yrn h PHE 88 CO 0.06 0.82 -0.02 -0.07 -2.02 0.00 0.00 178.31 177.08 2yrn h LEU 89 N 1.22 0.10 -0.70 0.59 3.38 -0.40 -3.24 115.31 116.25 2yrn h LEU 89 Ca 0.31 -0.42 0.12 0.00 0.09 0.00 0.00 57.88 57.98 2yrn h LEU 89 Cb 0.02 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 2yrn h LEU 89 CO -0.05 0.50 -0.33 0.00 0.09 0.00 0.00 178.44 178.65 2yrn h ALA 90 N 0.60 0.07 -0.99 1.53 0.00 -1.18 0.66 119.26 119.95 2yrn h ALA 90 Ca 0.01 0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.39 2yrn h ALA 90 Cb 0.46 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2yrn h ALA 90 CO 0.01 -0.63 0.68 0.00 0.00 0.00 0.00 179.25 179.31 2yrn h ALA 91 N 1.17 2.60 0.00 0.00 0.00 -1.54 0.76 119.26 122.26 2yrn h ALA 91 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2yrn h ALA 91 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2yrn h ALA 91 CO -0.76 -0.92 -0.34 0.87 0.00 0.00 0.00 179.25 178.10 2yrn h LYS 92 N 0.19 0.00 0.00 0.00 1.79 0.28 -3.46 116.57 115.37 2yrn h LYS 92 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 2yrn h LYS 92 Cb 1.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 2yrn h LYS 92 CO -0.12 0.34 0.00 0.41 -1.08 0.00 0.00 179.45 179.00 2yrn n GLY 93 N 0.07 1.98 3.60 3.86 0.00 0.26 -5.11 105.19 109.85 2yrn n GLY 93 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2yrn n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yrn s ILE 94 N -1.98 3.35 -0.17 -0.61 1.01 -1.16 -4.98 121.20 116.66 2yrn s ILE 94 Ca 0.00 -1.57 -0.22 0.00 0.00 0.00 0.00 60.65 58.86 2yrn s ILE 94 Cb 0.00 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 2yrn s ILE 94 CO 0.00 -0.10 0.67 0.21 0.00 0.00 0.00 174.94 175.72 2yrn s ASN 95 N -2.83 6.77 0.00 3.58 2.47 -1.26 -4.00 114.94 119.68 2yrn s ASN 95 Ca 0.25 0.94 0.00 0.00 0.42 0.00 0.00 52.86 54.47 2yrn s ASN 95 Cb -0.09 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 2yrn s ASN 95 CO 0.16 -0.27 0.00 2.30 -3.72 0.00 0.00 177.10 175.57 2yrn n ILE 96 N 4.55 0.00 -0.33 -5.21 -5.35 -1.26 -4.78 119.36 106.98 2yrn n ILE 96 Ca -0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.40 2yrn n ILE 96 Cb 0.50 -0.81 -0.06 0.00 -1.74 0.00 0.00 39.64 37.53 2yrn n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yrn n GLN 97 N -1.90 -0.32 -0.22 6.28 6.02 -1.26 0.81 117.38 126.78 2yrn n GLN 97 Ca 0.00 1.19 0.03 0.00 -0.01 0.00 0.00 57.00 58.21 2yrn n GLN 97 Cb 0.44 -1.75 0.14 0.00 1.02 0.00 0.00 30.24 30.08 2yrn n GLN 97 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2yrn h GLY 98 N 0.00 0.85 -1.00 1.08 0.00 -2.01 -3.42 103.07 98.56 2yrn h GLY 98 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.09 2yrn h GLY 98 CO -0.75 -0.18 -0.14 1.04 0.00 0.00 0.00 176.54 176.52 2yrn n LEU 99 N -5.19 -0.81 -3.64 3.11 4.77 0.24 -5.06 117.00 110.42 2yrn n LEU 99 Ca 0.11 -0.67 -0.05 0.00 -0.03 0.00 0.00 56.01 55.37 2yrn n LEU 99 Cb 0.39 -1.08 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 2yrn n LEU 99 CO 0.13 -4.26 0.13 -0.44 -1.33 0.00 0.00 177.39 171.62 2yrn s SER 100 N -2.86 -0.65 0.14 -1.43 0.01 -1.26 -5.03 113.70 102.62 2yrn s SER 100 Ca 0.68 1.23 -0.20 0.00 1.31 0.00 0.00 55.95 58.97 2yrn s SER 100 Cb -0.16 1.78 0.02 0.00 0.21 0.00 0.00 66.02 67.86 2yrn s SER 100 CO 0.60 -0.23 1.68 0.00 0.41 0.00 0.00 173.24 175.70 2yrn h ALA 101 N 8.09 0.10 -0.22 1.44 0.00 -1.94 -0.55 119.26 126.18 2yrn h ALA 101 Ca -0.17 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2yrn h ALA 101 Cb 1.11 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 2yrn h ALA 101 CO 0.12 -0.51 -0.31 1.49 0.00 0.00 0.00 179.25 180.04 2yrn h GLU 102 N -0.07 -0.32 -0.55 0.00 4.81 -1.96 0.17 114.58 116.66 2yrn h GLU 102 Ca 0.13 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2yrn h GLU 102 Cb 0.26 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2yrn h GLU 102 CO -0.29 -0.21 0.28 0.93 -0.73 0.00 0.00 179.01 178.99 2yrn h GLU 103 N -0.33 0.52 -0.05 1.92 4.39 -1.89 -2.29 114.58 116.85 2yrn h GLU 103 Ca 0.12 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2yrn h GLU 103 Cb 0.53 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2yrn h GLU 103 CO -0.41 0.34 -0.03 0.82 -1.16 0.00 0.00 179.01 178.58 2yrn h ILE 104 N 0.53 0.90 -0.92 3.13 2.04 -0.14 -2.09 117.51 120.96 2yrn h ILE 104 Ca 0.24 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.27 2yrn h ILE 104 Cb 0.16 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2yrn h ILE 104 CO -0.17 0.00 0.59 -0.09 0.00 0.00 0.00 178.15 178.48 2yrn h ARG 105 N -0.03 0.62 0.00 2.37 2.43 -0.33 0.27 114.38 119.71 2yrn h ARG 105 Ca 0.03 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 2yrn h ARG 105 Cb 0.08 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2yrn h ARG 105 CO -0.07 0.41 -0.34 -0.91 -1.51 0.00 0.00 179.97 177.55 2yrn h ASN 106 N 0.64 0.00 0.00 -3.80 2.35 -0.84 -3.43 115.58 110.51 2yrn h ASN 106 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 2yrn h ASN 106 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 2yrn h ASN 106 CO -0.23 0.34 0.00 0.61 -1.65 0.00 0.00 177.43 176.50 2yrn n GLY 107 N -0.32 1.57 3.58 2.83 0.00 0.96 -4.98 105.19 108.83 2yrn n GLY 107 Ca -0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2yrn n GLY 107 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yrn s ASN 108 N -2.18 5.96 0.25 1.61 2.47 -1.09 -4.78 114.94 117.18 2yrn s ASN 108 Ca 0.00 0.48 -0.06 0.00 0.42 0.00 0.00 52.86 53.70 2yrn s ASN 108 Cb 0.00 -2.54 0.43 0.00 -1.45 0.00 0.00 41.25 37.69 2yrn s ASN 108 CO 0.00 -1.80 1.38 -0.11 -3.72 0.00 0.00 177.10 172.85 2yrn n LEU 109 N 10.17 -0.30 -0.31 3.21 7.94 -1.26 0.17 117.00 136.61 2yrn n LEU 109 Ca 0.16 1.52 0.14 0.00 -1.11 0.00 0.00 56.01 56.72 2yrn n LEU 109 Cb 0.49 -0.47 0.32 0.00 0.53 0.00 0.00 43.42 44.29 2yrn n LEU 109 CO 0.71 -1.47 1.06 0.11 -1.11 0.00 0.00 177.39 176.69 2yrn h LYS 110 N 0.00 0.42 0.23 1.96 1.79 -1.97 0.13 116.57 119.13 2yrn h LYS 110 Ca 0.43 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.87 2yrn h LYS 110 Cb 0.68 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2yrn h LYS 110 CO -0.91 0.28 -0.11 0.00 -1.08 0.00 0.00 179.45 177.63 2yrn h ALA 111 N 1.71 -0.46 -0.57 3.86 0.00 0.13 -3.09 119.26 120.84 2yrn h ALA 111 Ca 0.57 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.48 2yrn h ALA 111 Cb 1.09 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2yrn h ALA 111 CO -0.52 -0.44 -0.52 0.82 0.00 0.00 0.00 179.25 178.59 2yrn h ILE 112 N -0.67 0.00 -0.96 0.00 5.03 -1.01 0.24 117.51 120.13 2yrn h ILE 112 Ca -0.03 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 65.01 2yrn h ILE 112 Cb 0.23 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 33.87 2yrn h ILE 112 CO 0.05 0.00 0.40 -0.07 -0.68 0.00 0.00 178.15 177.85 2yrn h LEU 113 N -0.23 0.22 -0.22 1.44 3.38 -0.89 0.22 115.31 119.22 2yrn h LEU 113 Ca 0.10 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2yrn h LEU 113 Cb 0.48 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2yrn h LEU 113 CO -0.66 -0.21 0.13 1.23 0.09 0.00 0.00 178.44 179.01 2yrn h GLY 114 N 0.20 0.33 0.53 0.83 0.00 -0.46 0.45 103.07 104.96 2yrn h GLY 114 Ca 0.68 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.86 2yrn h GLY 114 CO -0.68 0.14 -0.42 -2.00 0.00 0.00 0.00 176.54 173.58 2yrn h LEU 115 N 0.26 -1.17 -1.52 3.11 6.46 0.15 -0.86 115.31 121.74 2yrn h LEU 115 Ca 0.08 0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.89 2yrn h LEU 115 Cb 0.05 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2yrn h LEU 115 CO -0.01 -0.56 -0.25 -0.26 -0.62 0.00 0.00 178.44 176.74 2yrn h PHE 116 N -0.83 0.00 -0.53 1.25 0.04 -1.39 0.26 116.94 115.74 2yrn h PHE 116 Ca -0.03 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 2yrn h PHE 116 Cb 0.75 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 2yrn h PHE 116 CO -0.25 0.25 0.09 0.35 -0.60 0.00 0.00 178.31 178.14 2yrn h PHE 117 N 0.00 0.87 0.01 -0.55 3.04 0.64 -2.77 116.94 118.19 2yrn h PHE 117 Ca -0.00 -0.10 -0.29 0.00 3.98 0.00 0.00 57.97 61.56 2yrn h PHE 117 Cb 0.50 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 2yrn h PHE 117 CO 0.00 0.75 -1.58 -1.13 -2.02 0.00 0.00 178.31 174.34 2yrn n SER 118 N -4.25 1.91 -0.27 0.41 3.41 -0.39 -4.34 113.62 110.09 2yrn n SER 118 Ca 0.03 0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.90 2yrn n SER 118 Cb 0.25 -0.92 -0.09 0.00 -0.26 0.00 0.00 64.21 63.19 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2yrn h LEU 119 N -0.87 -1.88 -0.90 1.04 5.85 -0.57 -0.20 115.31 117.78 2yrn h LEU 119 Ca -0.42 0.27 0.14 0.00 0.84 0.00 0.00 57.88 58.71 2yrn h LEU 119 Cb 1.45 0.81 -0.15 0.00 0.37 0.00 0.00 40.66 43.13 2yrn h LEU 119 CO -0.21 -0.29 -0.33 -0.24 -0.34 0.00 0.00 178.44 177.03 2yrn n SER 120 N -5.13 -0.54 -0.31 1.25 2.88 -1.04 0.75 113.62 111.47 2yrn n SER 120 Ca -0.01 1.56 0.16 0.00 -1.33 0.00 0.00 58.87 59.25 2yrn n SER 120 Cb 0.28 -0.38 0.31 0.00 -0.75 0.00 0.00 64.21 63.67 2yrn n SER 120 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2yrn n ARG 121 N -5.34 -0.07 -0.33 -1.46 1.74 -0.09 -0.11 116.66 111.00 2yrn n ARG 121 Ca 0.10 1.33 -0.07 0.00 -0.77 0.00 0.00 57.85 58.44 2yrn n ARG 121 Cb 0.37 -2.15 -0.03 0.00 -1.02 0.00 0.00 32.46 29.64 2yrn n ARG 121 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2yrn h TYR 122 N 0.00 -1.39 0.03 -1.55 3.20 0.30 -2.72 116.97 114.84 2yrn h TYR 122 Ca 0.58 0.10 -0.00 0.00 3.14 0.00 0.00 58.73 62.55 2yrn h TYR 122 Cb 1.26 0.73 0.00 0.00 1.54 0.00 0.00 36.73 40.26 2yrn h TYR 122 CO -0.39 -0.40 -0.02 -0.22 -1.64 0.00 0.00 178.16 175.49 2yrn h LYS 123 N -0.08 -0.05 -4.63 1.82 1.63 -0.64 -3.39 116.57 111.23 2yrn h LYS 123 Ca 0.23 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.38 2yrn h LYS 123 Cb 0.53 0.01 0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2yrn h LYS 123 CO -0.87 0.53 0.40 1.04 -3.45 0.00 0.00 179.45 177.10 2yrn n GLN 124 N -4.73 0.00 -4.03 1.90 6.02 -0.01 0.21 117.38 116.75 2yrn n GLN 124 Ca -0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.59 2yrn n GLN 124 Cb 0.29 -1.16 -0.02 0.00 1.02 0.00 0.00 30.24 30.37 2yrn n GLN 124 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2yrn n GLN 125 N 2.58 -3.26 -0.02 -1.09 1.13 -1.26 -4.84 117.38 110.61 2yrn n GLN 125 Ca 0.22 0.39 -0.16 0.00 -1.94 0.00 0.00 57.00 55.50 2yrn n GLN 125 Cb -0.02 -5.12 -0.12 0.00 0.11 0.00 0.00 30.24 25.09 2yrn n GLN 125 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2yrn h GLN 126 N -1.38 0.21 0.00 -1.09 5.75 0.23 -3.19 115.11 115.64 2yrn h GLN 126 Ca -0.55 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 57.71 2yrn h GLN 126 Cb 1.36 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.98 2yrn h GLN 126 CO 0.72 1.00 0.40 -0.56 -2.65 0.00 0.00 178.83 177.74 2yrn h GLN 127 N -0.47 0.00 -2.03 1.69 3.07 -1.89 -3.38 115.11 112.10 2yrn h GLN 127 Ca -0.05 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.72 2yrn h GLN 127 Cb 1.13 0.00 -0.21 0.00 0.08 0.00 0.00 27.48 28.48 2yrn h GLN 127 CO 0.07 0.00 -0.04 1.14 0.09 0.00 0.00 178.83 180.09 2yrn s GLN 128 N -3.99 0.66 0.00 0.06 1.03 -1.20 -5.28 119.66 110.94 2yrn s GLN 128 Ca -0.03 1.28 0.16 0.00 0.04 0.00 0.00 55.36 56.81 2yrn s GLN 128 Cb 0.07 0.35 0.93 0.00 0.03 0.00 0.00 33.01 34.39 2yrn s GLN 128 CO 0.22 -0.17 1.34 -0.35 -2.54 0.00 0.00 175.29 173.80