#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn s SER 2 N 0.00 6.95 -0.16 1.61 0.01 -1.26 -4.86 113.70 115.98 2yrn s SER 2 Ca 0.00 -2.76 -0.01 0.00 1.31 0.00 0.00 55.95 54.48 2yrn s SER 2 Cb 0.00 -2.36 0.06 0.00 0.21 0.00 0.00 66.02 63.93 2yrn s SER 2 CO 0.00 -0.77 2.26 -1.54 0.41 0.00 0.00 173.24 173.60 2yrn n SER 3 N 5.42 5.87 -2.66 2.44 3.41 -1.26 -4.15 113.62 122.70 2yrn n SER 3 Ca 0.29 -2.74 -0.08 0.00 -0.26 0.00 0.00 58.87 56.08 2yrn n SER 3 Cb 0.45 -1.14 0.03 0.00 -0.26 0.00 0.00 64.21 63.29 2yrn n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrn n GLY 4 N 1.11 2.49 4.29 5.00 0.00 -1.26 -4.97 105.19 111.86 2yrn n GLY 4 Ca 0.21 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 2yrn n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrn n SER 5 N -0.38 -2.36 -4.10 1.61 2.88 -1.26 -4.93 113.62 105.08 2yrn n SER 5 Ca 0.14 -1.09 -0.14 0.00 -1.33 0.00 0.00 58.87 56.44 2yrn n SER 5 Cb 0.81 -2.40 -0.11 0.00 -0.75 0.00 0.00 64.21 61.76 2yrn n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yrn s SER 6 N -3.45 1.13 -1.66 -3.46 0.15 -1.26 -4.83 113.70 100.31 2yrn s SER 6 Ca 0.65 -0.60 -0.20 0.00 0.70 0.00 0.00 55.95 56.50 2yrn s SER 6 Cb -0.36 0.01 0.20 0.00 -1.71 0.00 0.00 66.02 64.16 2yrn s SER 6 CO 0.96 -0.18 0.51 0.61 1.20 0.00 0.00 173.24 176.34 2yrn n GLY 7 N 1.31 -0.34 3.60 9.45 0.00 -1.26 -4.74 105.19 113.20 2yrn n GLY 7 Ca -0.22 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2yrn n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yrn s LYS 8 N -6.54 3.96 0.00 1.61 2.20 -1.26 -4.91 119.74 114.80 2yrn s LYS 8 Ca 0.71 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2yrn s LYS 8 Cb -0.42 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 2yrn s LYS 8 CO 0.91 -0.07 0.82 2.89 -0.36 0.00 0.00 175.35 179.54 2yrn n ARG 9 N 4.67 1.92 -4.62 4.03 -4.01 -1.26 -5.04 116.66 112.35 2yrn n ARG 9 Ca -0.15 -1.16 -0.24 0.00 -1.04 0.00 0.00 57.85 55.27 2yrn n ARG 9 Cb 0.52 -0.88 -0.14 0.00 -3.04 0.00 0.00 32.46 28.92 2yrn n ARG 9 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2yrn s LYS 10 N -0.67 1.27 -0.35 2.89 1.02 -1.26 -5.10 119.74 117.54 2yrn s LYS 10 Ca 0.00 -0.79 -0.28 0.00 0.02 0.00 0.00 55.97 54.92 2yrn s LYS 10 Cb 0.00 -1.31 -0.01 0.00 -0.52 0.00 0.00 37.83 35.99 2yrn s LYS 10 CO 0.00 0.34 1.70 -1.25 -0.92 0.00 0.00 175.35 175.22 2yrn s PRO 11 N -0.92 3.40 0.15 -1.68 0.04 -1.26 -4.94 135.00 129.80 2yrn s PRO 11 Ca 0.06 1.31 -0.33 0.00 0.04 0.00 0.00 61.00 62.08 2yrn s PRO 11 Cb -0.08 -4.15 -0.17 0.00 0.04 0.00 0.00 34.50 30.14 2yrn s PRO 11 CO 0.01 -1.78 0.98 1.55 0.04 0.00 0.00 177.00 177.81 2yrn n VAL 12 N 7.33 1.05 -3.24 -0.36 3.14 -1.26 -4.93 118.33 120.06 2yrn n VAL 12 Ca 0.21 -0.26 -0.33 0.00 -2.96 0.00 0.00 64.34 61.00 2yrn n VAL 12 Cb 0.47 -0.49 -0.06 0.00 -1.06 0.00 0.00 33.84 32.70 2yrn n VAL 12 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2yrn s ILE 13 N -0.40 4.76 -0.60 1.55 1.09 -1.26 -5.05 121.20 121.29 2yrn s ILE 13 Ca 0.73 0.80 0.04 0.00 -1.10 0.00 0.00 60.65 61.13 2yrn s ILE 13 Cb -0.94 -3.63 0.15 0.00 -1.06 0.00 0.00 42.46 36.98 2yrn s ILE 13 CO 0.55 -0.11 0.38 -1.00 -0.10 0.00 0.00 174.94 174.66 2yrn s HIS 14 N -1.88 3.07 1.01 3.97 3.76 -1.26 -5.07 115.29 118.89 2yrn s HIS 14 Ca 0.51 -3.10 -0.22 0.00 -0.15 0.00 0.00 55.06 52.10 2yrn s HIS 14 Cb -0.11 -2.50 -0.14 0.00 1.11 0.00 0.00 32.58 30.94 2yrn s HIS 14 CO 0.19 -0.65 -0.99 0.41 -0.85 0.00 0.00 174.74 172.85 2yrn n GLY 15 N 2.55 -3.61 0.39 -2.22 0.00 -1.26 -3.62 105.19 97.41 2yrn n GLY 15 Ca 0.15 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 2.77 -0.80 -0.29 0.99 4.77 -1.26 0.81 117.00 123.99 2yrn n LEU 16 Ca -0.01 1.71 0.03 0.00 -0.03 0.00 0.00 56.01 57.71 2yrn n LEU 16 Cb 0.65 -0.32 0.17 0.00 -2.33 0.00 0.00 43.42 41.59 2yrn n LEU 16 CO 0.48 -1.47 1.14 -0.33 -1.33 0.00 0.00 177.39 175.88 2yrn h GLU 17 N 0.00 0.75 -0.74 3.23 4.39 -2.01 -0.91 114.58 119.30 2yrn h GLU 17 Ca 0.26 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 2yrn h GLU 17 Cb 0.50 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2yrn h GLU 17 CO -0.94 0.50 0.40 -0.44 -1.16 0.00 0.00 179.01 177.37 2yrn h ASP 18 N 0.78 0.92 0.15 1.42 5.19 0.19 -2.97 116.42 122.10 2yrn h ASP 18 Ca 0.40 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.75 2yrn h ASP 18 Cb 0.38 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 2yrn h ASP 18 CO -0.25 0.74 -0.28 1.56 -3.12 0.00 0.00 179.24 177.89 2yrn h GLN 19 N 1.03 -0.49 -0.72 3.56 4.20 0.63 -2.13 115.11 121.19 2yrn h GLN 19 Ca 0.26 0.03 0.28 0.00 0.06 0.00 0.00 58.65 59.28 2yrn h GLN 19 Cb 0.03 0.11 -0.13 0.00 0.30 0.00 0.00 27.48 27.79 2yrn h GLN 19 CO -0.04 -0.33 0.30 1.17 -0.67 0.00 0.00 178.83 179.26 2yrn n LYS 20 N -5.39 -0.05 0.30 1.46 4.81 -1.11 0.25 118.16 118.44 2yrn n LYS 20 Ca -0.07 1.01 -0.12 0.00 -0.87 0.00 0.00 58.31 58.26 2yrn n LYS 20 Cb 0.30 -1.77 -0.06 0.00 0.02 0.00 0.00 35.03 33.53 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 -0.78 -0.79 1.64 2.43 -1.50 -1.52 114.38 113.86 2yrn h ARG 21 Ca 0.57 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.92 2yrn h ARG 21 Cb 1.45 0.18 -0.13 0.00 -0.42 0.00 0.00 29.97 31.05 2yrn h ARG 21 CO -0.58 -0.52 -0.30 -0.89 -1.51 0.00 0.00 179.97 176.16 2yrn n ILE 22 N -5.20 -0.41 -0.09 1.20 5.41 0.14 0.73 119.36 121.13 2yrn n ILE 22 Ca -0.10 1.85 -0.11 0.00 1.00 0.00 0.00 62.75 65.39 2yrn n ILE 22 Cb 0.32 -2.45 -0.04 0.00 -0.71 0.00 0.00 39.64 36.76 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 0.50 -0.53 1.39 0.05 -1.50 -2.46 116.97 114.42 2yrn h TYR 23 Ca 0.28 -0.09 0.09 0.00 0.05 0.00 0.00 58.73 59.07 2yrn h TYR 23 Cb 0.48 -0.13 -0.11 0.00 1.01 0.00 0.00 36.73 37.98 2yrn h TYR 23 CO -0.69 0.61 -0.37 1.15 -1.05 0.00 0.00 178.16 177.82 2yrn h THR 24 N 0.24 0.15 -0.77 -2.88 2.02 0.14 0.21 112.91 112.03 2yrn h THR 24 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2yrn h THR 24 Cb 0.41 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2yrn h THR 24 CO 0.01 0.00 0.39 -0.78 0.37 0.00 0.00 175.52 175.51 2yrn h ASP 25 N -0.21 0.99 0.31 4.18 1.82 -1.15 0.51 116.42 122.87 2yrn h ASP 25 Ca 0.20 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2yrn h ASP 25 Cb 0.56 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 2yrn h ASP 25 CO -0.64 0.84 -0.28 -0.25 -1.61 0.00 0.00 179.24 177.29 2yrn h TRP 26 N 1.08 -0.74 0.02 0.28 7.01 -0.48 -2.59 115.95 120.53 2yrn h TRP 26 Ca 0.27 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 2yrn h TRP 26 Cb 0.09 0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 2yrn h TRP 26 CO 0.01 -0.41 -0.01 0.00 -2.79 0.00 0.00 178.44 175.24 2yrn h ALA 27 N -0.01 -0.03 -0.99 2.65 0.00 -0.57 -2.97 119.26 117.34 2yrn h ALA 27 Ca -0.02 -0.10 0.34 0.00 0.00 0.00 0.00 54.91 55.13 2yrn h ALA 27 Cb 0.54 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.17 2yrn h ALA 27 CO -0.04 -0.42 0.28 -0.91 0.00 0.00 0.00 179.25 178.15 2yrn h ASN 28 N -0.21 -0.07 -0.60 0.00 2.35 -0.80 0.70 115.58 116.94 2yrn h ASN 28 Ca -0.00 0.26 0.11 0.00 -0.55 0.00 0.00 56.30 56.12 2yrn h ASN 28 Cb 0.20 0.37 -0.09 0.00 0.05 0.00 0.00 38.32 38.85 2yrn h ASN 28 CO 0.00 -0.37 0.12 -0.74 -1.65 0.00 0.00 177.43 174.79 2yrn h HIS 29 N 0.03 0.19 0.00 1.19 -0.00 -1.29 0.34 115.15 115.62 2yrn h HIS 29 Ca 0.71 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 61.10 2yrn h HIS 29 Cb 1.68 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 29.09 2yrn h HIS 29 CO -0.26 -0.04 -0.07 1.88 -0.00 0.00 0.00 177.93 179.44 2yrn h TYR 30 N 0.25 0.00 0.23 5.26 0.05 0.31 -0.06 116.97 123.01 2yrn h TYR 30 Ca 0.32 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.78 2yrn h TYR 30 Cb 0.47 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.24 2yrn h TYR 30 CO -0.25 0.07 -1.43 -0.07 -1.05 0.00 0.00 178.16 175.42 2yrn h LEU 31 N 0.00 0.77 -0.10 3.88 3.38 -0.10 -3.09 115.31 120.05 2yrn h LEU 31 Ca -0.00 -0.93 -0.07 0.00 0.09 0.00 0.00 57.88 56.98 2yrn h LEU 31 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2yrn h LEU 31 CO 0.01 1.68 -0.20 0.00 0.09 0.00 0.00 178.44 180.02 2yrn h ALA 32 N 0.13 0.16 -0.67 1.53 0.00 -0.53 -1.53 119.26 118.35 2yrn h ALA 32 Ca -0.26 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.35 2yrn h ALA 32 Cb 2.09 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 2yrn h ALA 32 CO 0.25 0.10 0.44 1.57 0.00 0.00 0.00 179.25 181.61 2yrn h LYS 33 N -0.13 0.65 -1.48 0.00 2.10 -1.16 -1.47 116.57 115.07 2yrn h LYS 33 Ca 0.00 -0.04 -0.26 0.00 -2.00 0.00 0.00 60.65 58.35 2yrn h LYS 33 Cb 0.79 -0.15 -0.12 0.00 -0.90 0.00 0.00 32.23 31.85 2yrn h LYS 33 CO 0.04 0.43 0.34 0.45 -2.00 0.00 0.00 179.45 178.71 2yrn n SER 34 N -4.48 5.72 -3.76 7.07 2.88 -1.17 -4.87 113.62 115.02 2yrn n SER 34 Ca 0.10 -2.91 -0.28 0.00 -1.33 0.00 0.00 58.87 54.45 2yrn n SER 34 Cb 0.24 -0.98 0.01 0.00 -0.75 0.00 0.00 64.21 62.72 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 0.38 -0.86 3.50 0.46 0.00 -0.55 -4.92 105.19 103.19 2yrn n GLY 35 Ca 0.25 0.38 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.28 2.88 -0.88 1.61 5.04 -0.58 -5.03 115.29 115.05 2yrn s HIS 36 Ca 0.18 -0.22 -0.02 0.00 -1.54 0.00 0.00 55.06 53.46 2yrn s HIS 36 Cb -0.10 -1.77 0.27 0.00 0.04 0.00 0.00 32.58 31.01 2yrn s HIS 36 CO 0.74 0.11 2.14 1.63 -2.34 0.00 0.00 174.74 177.02 2yrn n LYS 37 N 2.78 3.65 -3.65 2.88 5.02 -1.26 -4.68 118.16 122.91 2yrn n LYS 37 Ca -0.18 -3.64 -0.01 0.00 -2.02 0.00 0.00 58.31 52.47 2yrn n LYS 37 Cb 0.53 -2.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.13 2yrn n LYS 37 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2yrn s ARG 38 N -3.43 0.15 0.31 1.97 3.52 -1.26 -5.19 118.95 115.02 2yrn s ARG 38 Ca 0.50 0.23 0.03 0.00 -0.13 0.00 0.00 55.73 56.35 2yrn s ARG 38 Cb 0.33 0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 2yrn s ARG 38 CO -0.27 -0.03 0.24 1.28 -0.81 0.00 0.00 175.30 175.71 2yrn n LEU 39 N 2.76 0.00 -4.45 -0.88 4.77 -1.26 -4.84 117.00 113.10 2yrn n LEU 39 Ca -0.15 -1.60 -0.40 0.00 -0.03 0.00 0.00 56.01 53.82 2yrn n LEU 39 Cb 0.57 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 2yrn n LEU 39 CO 0.04 -0.45 -0.15 -0.63 -1.33 0.00 0.00 177.39 174.87 2yrn s ILE 40 N -1.51 4.87 -0.05 -0.08 1.01 -1.26 -4.98 121.20 119.20 2yrn s ILE 40 Ca 0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 2yrn s ILE 40 Cb -0.01 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 2yrn s ILE 40 CO 0.12 -0.10 -0.03 0.03 0.00 0.00 0.00 174.94 174.96 2yrn h ARG 41 N 8.46 0.00 -4.34 2.79 2.47 -1.98 -3.44 114.38 118.33 2yrn h ARG 41 Ca -0.29 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.75 2yrn h ARG 41 Cb 1.13 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.09 2yrn h ARG 41 CO 0.65 0.00 -0.58 -0.51 0.56 0.00 0.00 179.97 180.10 2yrn s ASP 42 N -4.23 5.06 0.36 7.04 1.11 -1.26 -4.96 116.67 119.80 2yrn s ASP 42 Ca -0.02 -2.24 0.23 0.00 0.18 0.00 0.00 52.55 50.70 2yrn s ASP 42 Cb 0.00 -1.77 1.28 0.00 1.07 0.00 0.00 42.92 43.51 2yrn s ASP 42 CO 0.03 -0.46 1.43 -0.11 1.18 0.00 0.00 175.17 177.24 2yrn n LEU 43 N 4.25 0.27 -0.06 1.23 7.94 -1.26 0.17 117.00 129.54 2yrn n LEU 43 Ca 0.01 1.41 -0.12 0.00 -1.11 0.00 0.00 56.01 56.20 2yrn n LEU 43 Cb 0.40 -0.69 -0.06 0.00 0.53 0.00 0.00 43.42 43.61 2yrn n LEU 43 CO 0.30 -1.56 0.74 1.56 -1.11 0.00 0.00 177.39 177.32 2yrn h GLN 44 N 0.00 0.32 -0.00 1.96 4.20 -1.93 -2.76 115.11 116.90 2yrn h GLN 44 Ca 0.78 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 59.39 2yrn h GLN 44 Cb 2.27 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 30.02 2yrn h GLN 44 CO -0.59 0.55 -0.17 1.04 -0.67 0.00 0.00 178.83 178.99 2yrn n GLN 45 N -4.70 0.24 0.00 1.46 1.13 0.41 -2.44 117.38 113.48 2yrn n GLN 45 Ca -0.05 -0.08 0.13 0.00 -1.94 0.00 0.00 57.00 55.07 2yrn n GLN 45 Cb 0.23 -1.50 0.41 0.00 0.11 0.00 0.00 30.24 29.49 2yrn n GLN 45 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2yrn n ASP 46 N -1.31 1.19 0.00 1.08 9.92 0.46 -3.97 116.55 123.92 2yrn n ASP 46 Ca 0.09 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.28 2yrn n ASP 46 Cb 0.31 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 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 -0.39 0.00 -0.28 2.53 0.24 -1.06 -2.87 118.33 116.49 2yrn n VAL 47 Ca 0.14 -0.30 -0.04 0.00 -2.04 0.00 0.00 64.34 62.09 2yrn n VAL 47 Cb 0.35 0.98 0.07 0.00 -1.47 0.00 0.00 33.84 33.77 2yrn n VAL 47 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2yrn h THR 48 N 0.00 1.20 0.02 3.34 1.35 -1.61 -2.66 112.91 114.56 2yrn h THR 48 Ca 0.00 -0.39 -0.23 0.00 -0.55 0.00 0.00 66.41 65.25 2yrn h THR 48 Cb 0.00 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 66.46 2yrn h THR 48 CO 0.00 0.20 -1.12 -2.24 -0.25 0.00 0.00 175.52 172.11 2yrn h ASP 49 N 1.06 0.06 0.00 5.36 3.04 -1.86 -3.41 116.42 120.66 2yrn h ASP 49 Ca 0.28 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 54.01 2yrn h ASP 49 Cb -0.11 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.16 2yrn h ASP 49 CO -0.06 1.05 0.00 0.61 -2.04 0.00 0.00 179.24 178.80 2yrn n GLY 50 N 1.40 2.77 0.13 7.15 0.00 -1.00 -4.33 105.19 111.31 2yrn n GLY 50 Ca -0.03 0.00 -0.05 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 -0.92 1.61 2.07 -1.88 -0.27 116.25 116.86 2yrn h VAL 51 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2yrn h VAL 51 Cb 0.00 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.70 2yrn h VAL 51 CO 0.00 0.00 0.59 0.25 0.02 0.00 0.00 177.57 178.43 2yrn h LEU 52 N -0.28 0.77 0.24 2.57 6.46 -1.90 -2.21 115.31 120.97 2yrn h LEU 52 Ca -0.02 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2yrn h LEU 52 Cb 0.23 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2yrn h LEU 52 CO -0.00 0.42 -0.30 0.25 -0.62 0.00 0.00 178.44 178.19 2yrn h LEU 53 N 0.83 -0.82 -0.61 2.25 5.85 -1.36 -2.64 115.31 118.81 2yrn h LEU 53 Ca 0.45 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.33 2yrn h LEU 53 Cb 0.56 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 2yrn h LEU 53 CO -0.21 -0.42 0.26 0.00 -0.34 0.00 0.00 178.44 177.74 2yrn h ALA 54 N 0.01 0.80 -1.50 1.25 0.00 -0.47 -1.17 119.26 118.18 2yrn h ALA 54 Ca -0.00 0.06 0.44 0.00 0.00 0.00 0.00 54.91 55.41 2yrn h ALA 54 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2yrn h ALA 54 CO -0.09 -0.13 1.29 1.04 0.00 0.00 0.00 179.25 181.35 2yrn n GLN 55 N -4.94 0.01 -0.09 0.00 6.02 -0.91 -0.06 117.38 117.41 2yrn n GLN 55 Ca 0.08 1.01 -0.16 0.00 -0.01 0.00 0.00 57.00 57.93 2yrn n GLN 55 Cb 0.24 -2.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.00 2yrn n GLN 55 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2yrn h ILE 56 N 0.00 0.57 -0.75 5.09 2.04 -1.26 -3.35 117.51 119.85 2yrn h ILE 56 Ca 0.71 -1.75 0.17 0.00 1.00 0.00 0.00 64.86 65.00 2yrn h ILE 56 Cb 3.28 1.40 -0.12 0.00 -0.74 0.00 0.00 36.82 40.64 2yrn h ILE 56 CO -0.01 0.19 0.13 0.40 0.00 0.00 0.00 178.15 178.87 2yrn h ILE 57 N -1.00 0.44 -0.14 -0.67 2.04 -0.35 0.66 117.51 118.49 2yrn h ILE 57 Ca -0.23 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2yrn h ILE 57 Cb 1.01 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2yrn h ILE 57 CO -0.14 0.04 0.11 1.56 0.00 0.00 0.00 178.15 179.72 2yrn h GLN 58 N 0.21 0.00 0.00 2.37 4.20 -1.16 0.63 115.11 121.36 2yrn h GLN 58 Ca 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.13 2yrn h GLN 58 Cb 0.76 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 2yrn h GLN 58 CO -0.57 0.00 -0.16 0.28 -0.67 0.00 0.00 178.83 177.71 2yrn h VAL 59 N 0.00 0.34 0.00 -0.54 2.07 0.07 -0.39 116.25 117.80 2yrn h VAL 59 Ca 0.07 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 2yrn h VAL 59 Cb 0.28 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2yrn h VAL 59 CO -0.00 0.12 -0.07 1.62 0.02 0.00 0.00 177.57 179.26 2yrn h VAL 60 N -1.00 0.66 0.00 2.57 3.04 -0.71 -1.12 116.25 119.69 2yrn h VAL 60 Ca -0.02 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2yrn h VAL 60 Cb 0.33 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2yrn h VAL 60 CO -0.01 0.07 -0.85 0.00 -1.01 0.00 0.00 177.57 175.77 2yrn n ALA 61 N -2.35 4.24 -2.83 3.17 0.00 0.22 -4.95 120.51 118.02 2yrn n ALA 61 Ca -0.02 -0.50 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 2yrn n ALA 61 Cb 0.16 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.54 -5.20 -4.17 0.00 3.02 -0.43 -4.96 115.26 101.99 2yrn n ASN 62 Ca 0.04 -0.15 -0.13 0.00 -0.03 0.00 0.00 54.58 54.31 2yrn n ASN 62 Cb 0.34 -4.28 -0.10 0.00 -0.61 0.00 0.00 39.78 35.13 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 -5.48 1.27 -0.04 3.52 2.56 -0.29 -5.01 118.70 115.24 2yrn s GLU 63 Ca 0.19 -1.68 0.07 0.00 0.00 0.00 0.00 54.97 53.55 2yrn s GLU 63 Cb -0.09 0.18 -0.02 0.00 2.00 0.00 0.00 34.13 36.20 2yrn s GLU 63 CO 0.24 -0.39 -0.25 0.21 -0.56 0.00 0.00 175.26 174.50 2yrn s LYS 64 N -4.10 2.35 -0.36 4.30 2.20 -1.26 -4.10 119.74 118.76 2yrn s LYS 64 Ca 0.39 -0.92 -0.15 0.00 -0.36 0.00 0.00 55.97 54.93 2yrn s LYS 64 Cb 0.07 -2.11 -0.00 0.00 -1.51 0.00 0.00 37.83 34.28 2yrn s LYS 64 CO 0.13 0.47 0.35 0.42 -0.36 0.00 0.00 175.35 176.36 2yrn s ILE 65 N -0.37 5.18 0.15 5.43 1.01 -1.26 -4.94 121.20 126.40 2yrn s ILE 65 Ca 0.03 -0.11 0.14 0.00 0.00 0.00 0.00 60.65 60.71 2yrn s ILE 65 Cb -0.12 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.52 2yrn s ILE 65 CO 0.01 -0.15 1.59 -0.33 0.00 0.00 0.00 174.94 176.06 2yrn h GLU 66 N 8.52 0.00 -2.01 2.79 5.08 -1.99 -3.26 114.58 123.72 2yrn h GLU 66 Ca -0.29 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 2yrn h GLU 66 Cb 1.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2yrn h GLU 66 CO 0.71 0.56 -0.16 -0.25 -1.00 0.00 0.00 179.01 178.87 2yrn n ASP 67 N -3.56 5.20 -4.25 1.42 8.00 -1.26 -4.81 116.55 117.30 2yrn n ASP 67 Ca -0.00 -2.42 -0.32 0.00 0.71 0.00 0.00 54.79 52.76 2yrn n ASP 67 Cb 0.64 -1.23 -0.16 0.00 -0.02 0.00 0.00 41.12 40.35 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2yrn s ILE 68 N 0.46 2.32 -0.07 0.53 -1.09 -1.23 -4.47 121.20 117.66 2yrn s ILE 68 Ca 0.28 -0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 57.67 2yrn s ILE 68 Cb 0.13 -1.92 -0.08 0.00 -1.58 0.00 0.00 42.46 39.01 2yrn s ILE 68 CO 0.00 0.55 0.46 -1.13 -1.23 0.00 0.00 174.94 173.58 2yrn h ASN 69 N 6.89 -0.23 0.00 3.58 -1.24 -1.93 -3.48 115.58 119.16 2yrn h ASN 69 Ca -0.24 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2yrn h ASN 69 Cb 1.22 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2yrn h ASN 69 CO 0.51 0.28 0.00 0.61 -1.29 0.00 0.00 177.43 177.54 2yrn n GLY 70 N 0.98 2.96 2.44 1.57 0.00 -1.26 -4.88 105.19 107.00 2yrn n GLY 70 Ca -0.05 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.43 3.15 -0.15 0.00 0.04 -1.26 -4.80 135.00 130.55 2yrn s PRO 72 Ca 0.34 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 2yrn s PRO 72 Cb 0.10 -4.23 -0.07 0.00 0.04 0.00 0.00 34.50 30.34 2yrn s PRO 72 CO -0.11 -2.08 -0.18 1.63 0.04 0.00 0.00 177.00 176.30 2yrn n LYS 73 N 8.61 0.32 -0.74 4.56 5.02 -1.26 -4.84 118.16 129.83 2yrn n LYS 73 Ca 0.21 0.13 -0.29 0.00 -2.02 0.00 0.00 58.31 56.34 2yrn n LYS 73 Cb 0.49 -1.07 0.22 0.00 -0.02 0.00 0.00 35.03 34.64 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 -6.14 1.66 0.17 4.39 2.47 -1.26 -4.95 114.94 111.28 2yrn s ASN 74 Ca -0.20 1.50 -0.05 0.00 0.42 0.00 0.00 52.86 54.53 2yrn s ASN 74 Cb 0.07 -2.22 0.03 0.00 -1.45 0.00 0.00 41.25 37.69 2yrn s ASN 74 CO 0.27 -3.78 1.45 -0.09 -3.72 0.00 0.00 177.10 171.23 2yrn h ARG 75 N -2.33 0.61 0.00 0.43 9.65 -2.03 -3.23 114.38 117.48 2yrn h ARG 75 Ca -0.58 -0.42 -0.13 0.00 -1.10 0.00 0.00 59.98 57.76 2yrn h ARG 75 Cb 1.32 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.94 2yrn h ARG 75 CO 0.51 1.04 -1.38 -1.13 2.80 0.00 0.00 179.97 181.82 2yrn n SER 76 N -3.94 0.79 -0.25 -3.80 3.41 -1.26 -4.22 113.62 104.36 2yrn n SER 76 Ca -0.04 0.34 0.04 0.00 -0.26 0.00 0.00 58.87 58.95 2yrn n SER 76 Cb 0.65 0.34 0.15 0.00 -0.26 0.00 0.00 64.21 65.08 2yrn n SER 76 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2yrn h GLN 77 N 0.00 0.11 -0.36 4.33 1.08 -1.92 -0.03 115.11 118.32 2yrn h GLN 77 Ca -0.13 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.14 2yrn h GLN 77 Cb 1.44 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.78 2yrn h GLN 77 CO 0.03 0.07 -0.09 0.52 -0.95 0.00 0.00 178.83 178.42 2yrn h MET 78 N 0.11 0.00 -0.60 1.46 2.86 -1.73 -2.81 114.93 114.23 2yrn h MET 78 Ca 0.40 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 58.09 2yrn h MET 78 Cb 0.69 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.27 2yrn h MET 78 CO -0.63 0.00 -0.42 0.82 1.06 0.00 0.00 176.91 177.74 2yrn h ILE 79 N 0.00 0.00 -0.71 -1.22 1.08 -1.22 -1.28 117.51 114.16 2yrn h ILE 79 Ca 0.17 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.71 2yrn h ILE 79 Cb 0.26 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.93 2yrn h ILE 79 CO -0.37 0.00 -0.42 -0.62 -0.69 0.00 0.00 178.15 176.05 2yrn n GLU 80 N -4.62 -0.31 -0.03 2.37 -0.58 -1.06 -0.33 120.64 116.08 2yrn n GLU 80 Ca 0.00 1.12 -0.01 0.00 -0.42 0.00 0.00 57.16 57.86 2yrn n GLU 80 Cb 0.20 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.41 2yrn n GLU 80 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2yrn n ASN 81 N -4.80 -0.08 -0.32 1.62 4.13 -0.49 0.06 115.26 115.37 2yrn n ASN 81 Ca 0.01 1.02 0.12 0.00 1.68 0.00 0.00 54.58 57.41 2yrn n ASN 81 Cb 0.18 -0.46 0.34 0.00 -1.54 0.00 0.00 39.78 38.30 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 0.78 -0.14 2.41 2.04 -1.06 -1.45 117.51 120.10 2yrn h ILE 82 Ca 0.01 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.64 2yrn h ILE 82 Cb 0.03 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 2yrn h ILE 82 CO -0.07 0.14 -0.05 -0.78 0.00 0.00 0.00 178.15 177.39 2yrn h ASP 83 N 0.76 -0.17 -0.77 1.72 3.58 0.27 -2.11 116.42 119.70 2yrn h ASP 83 Ca 0.52 0.05 0.15 0.00 0.42 0.00 0.00 57.03 58.16 2yrn h ASP 83 Cb 0.80 0.10 -0.10 0.00 1.72 0.00 0.00 39.33 41.85 2yrn h ASP 83 CO -0.29 -0.06 0.32 0.00 -2.88 0.00 0.00 179.24 176.33 2yrn h ALA 84 N 1.11 1.11 -0.55 -0.78 0.00 0.62 0.45 119.26 121.22 2yrn h ALA 84 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2yrn h ALA 84 Cb 0.13 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2yrn h ALA 84 CO -0.15 -0.21 0.32 0.00 0.00 0.00 0.00 179.25 179.21 2yrn h LEU 86 N 0.74 -0.44 -1.08 0.00 3.38 -0.50 0.44 115.31 117.86 2yrn h LEU 86 Ca 0.20 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2yrn h LEU 86 Cb 0.01 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2yrn h LEU 86 CO -0.03 -0.18 0.23 0.78 0.09 0.00 0.00 178.44 179.33 2yrn h ASN 87 N -0.68 0.81 -0.15 -0.43 2.35 -0.91 -0.27 115.58 116.30 2yrn h ASN 87 Ca -0.05 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.49 2yrn h ASN 87 Cb 0.49 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2yrn h ASN 87 CO 0.09 0.74 -0.21 0.15 -1.65 0.00 0.00 177.43 176.54 2yrn h PHE 88 N 0.87 0.65 -0.06 1.19 3.57 0.07 -2.89 116.94 120.34 2yrn h PHE 88 Ca 0.21 -0.13 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 2yrn h PHE 88 Cb 0.19 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.77 2yrn h PHE 88 CO 0.01 0.75 -0.54 -0.07 -2.23 0.00 0.00 178.31 176.24 2yrn h LEU 89 N 0.52 0.58 -0.42 0.59 3.38 -0.38 -3.30 115.31 116.28 2yrn h LEU 89 Ca 0.08 -0.69 0.09 0.00 0.09 0.00 0.00 57.88 57.45 2yrn h LEU 89 Cb 0.65 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 2yrn h LEU 89 CO 0.05 1.18 -0.14 0.00 0.09 0.00 0.00 178.44 179.62 2yrn h ALA 90 N 0.41 0.22 -0.89 1.53 0.00 -1.00 0.15 119.26 119.69 2yrn h ALA 90 Ca -0.05 0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.27 2yrn h ALA 90 Cb 1.21 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2yrn h ALA 90 CO 0.11 -0.49 0.64 0.00 0.00 0.00 0.00 179.25 179.51 2yrn h ALA 91 N 1.33 2.81 0.00 0.00 0.00 -1.59 0.72 119.26 122.53 2yrn h ALA 91 Ca 0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2yrn h ALA 91 Cb 0.36 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2yrn h ALA 91 CO -0.46 -1.07 -0.38 0.87 0.00 0.00 0.00 179.25 178.21 2yrn h LYS 92 N 0.02 0.00 0.00 0.00 1.79 -0.78 -3.47 116.57 114.13 2yrn h LYS 92 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2yrn h LYS 92 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 2yrn h LYS 92 CO -0.01 0.38 0.00 0.41 -1.08 0.00 0.00 179.45 179.15 2yrn n GLY 93 N 0.57 1.16 3.26 3.86 0.00 0.25 -5.14 105.19 109.14 2yrn n GLY 93 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 1.80 -0.12 -0.61 1.01 -1.16 -5.01 121.20 115.11 2yrn s ILE 94 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 2yrn s ILE 94 Cb 0.00 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2yrn s ILE 94 CO 0.00 0.49 1.29 0.21 0.00 0.00 0.00 174.94 176.93 2yrn s ASN 95 N -0.60 6.94 -0.00 3.58 2.47 -1.26 -3.93 114.94 122.14 2yrn s ASN 95 Ca 0.09 1.80 0.00 0.00 0.42 0.00 0.00 52.86 55.17 2yrn s ASN 95 Cb -0.09 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2yrn s ASN 95 CO -0.01 -0.73 0.00 2.30 -3.72 0.00 0.00 177.10 174.94 2yrn n ILE 96 N 5.17 0.02 -0.34 -5.21 -5.35 -1.26 -4.79 119.36 107.60 2yrn n ILE 96 Ca 0.13 -0.01 -0.09 0.00 -0.27 0.00 0.00 62.75 62.51 2yrn n ILE 96 Cb 0.45 -0.73 -0.08 0.00 -1.74 0.00 0.00 39.64 37.54 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 -1.92 -0.35 -0.30 6.28 6.02 -1.26 0.82 117.38 126.66 2yrn n GLN 97 Ca -0.00 1.25 0.14 0.00 -0.01 0.00 0.00 57.00 58.37 2yrn n GLN 97 Cb 0.42 -1.84 0.30 0.00 1.02 0.00 0.00 30.24 30.14 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 1.38 -0.96 1.08 0.00 -2.01 -3.41 103.07 99.16 2yrn h GLY 98 Ca 0.13 -0.02 -0.40 0.00 0.00 0.00 0.00 47.33 47.03 2yrn h GLY 98 CO -0.76 -0.39 -0.02 1.08 0.00 0.00 0.00 176.54 176.46 2yrn s LEU 99 N -10.68 -0.24 -0.29 3.11 1.43 0.24 -5.07 118.68 107.19 2yrn s LEU 99 Ca -0.12 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 2yrn s LEU 99 Cb 0.26 -2.47 0.16 0.00 0.03 0.00 0.00 46.19 44.17 2yrn s LEU 99 CO 0.77 -4.78 0.57 -0.44 0.23 0.00 0.00 176.35 172.70 2yrn s SER 100 N -3.31 -1.06 0.25 2.29 0.01 -1.26 -5.04 113.70 105.58 2yrn s SER 100 Ca 0.69 0.97 -0.05 0.00 1.31 0.00 0.00 55.95 58.87 2yrn s SER 100 Cb -0.14 2.02 0.48 0.00 0.21 0.00 0.00 66.02 68.59 2yrn s SER 100 CO 0.58 -0.25 1.66 0.00 0.41 0.00 0.00 173.24 175.63 2yrn h ALA 101 N 8.03 0.90 -0.11 1.44 0.00 -1.95 -0.17 119.26 127.40 2yrn h ALA 101 Ca -0.21 0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2yrn h ALA 101 Cb 1.14 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2yrn h ALA 101 CO 0.22 -0.40 -0.18 1.49 0.00 0.00 0.00 179.25 180.38 2yrn h GLU 102 N 0.18 -0.22 -0.35 0.00 4.81 -1.96 0.70 114.58 117.74 2yrn h GLU 102 Ca 0.43 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 2yrn h GLU 102 Cb 0.76 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2yrn h GLU 102 CO -0.60 -0.15 0.18 0.93 -0.73 0.00 0.00 179.01 178.64 2yrn h GLU 103 N -0.23 0.35 -0.83 1.92 4.39 -1.56 -2.12 114.58 116.51 2yrn h GLU 103 Ca 0.09 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.82 2yrn h GLU 103 Cb 0.36 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 2yrn h GLU 103 CO -0.25 0.23 0.52 0.82 -1.16 0.00 0.00 179.01 179.18 2yrn h ILE 104 N 0.37 1.08 0.00 3.13 2.04 -0.61 -0.86 117.51 122.66 2yrn h ILE 104 Ca 0.15 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2yrn h ILE 104 Cb 0.05 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2yrn h ILE 104 CO -0.10 0.18 -0.14 -0.09 0.00 0.00 0.00 178.15 178.00 2yrn h ARG 105 N 0.98 0.00 0.00 2.37 2.43 -0.36 -1.73 114.38 118.08 2yrn h ARG 105 Ca 0.34 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.40 2yrn h ARG 105 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2yrn h ARG 105 CO -0.14 0.14 -0.55 -0.91 -1.51 0.00 0.00 179.97 176.99 2yrn h ASN 106 N 0.00 0.00 0.00 -3.80 2.35 -0.52 -3.44 115.58 110.17 2yrn h ASN 106 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2yrn h ASN 106 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2yrn h ASN 106 CO 0.02 0.55 0.00 0.61 -1.65 0.00 0.00 177.43 176.96 2yrn n GLY 107 N 0.36 1.35 3.60 2.83 0.00 -0.65 -5.04 105.19 107.64 2yrn n GLY 107 Ca -0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.13 6.22 0.24 1.61 3.84 -1.19 -4.85 114.94 118.68 2yrn s ASN 108 Ca 0.00 0.80 -0.12 0.00 0.21 0.00 0.00 52.86 53.75 2yrn s ASN 108 Cb 0.00 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 38.49 2yrn s ASN 108 CO 0.00 -1.53 1.59 0.25 -2.79 0.00 0.00 177.10 174.62 2yrn h LEU 109 N 12.62 -0.87 -1.49 3.21 5.85 -1.96 0.92 115.31 133.60 2yrn h LEU 109 Ca -0.28 0.25 0.22 0.00 0.84 0.00 0.00 57.88 58.91 2yrn h LEU 109 Cb 1.11 0.54 -0.07 0.00 0.37 0.00 0.00 40.66 42.61 2yrn h LEU 109 CO 1.09 -0.28 0.62 0.11 -0.34 0.00 0.00 178.44 179.64 2yrn h LYS 110 N -0.02 0.39 0.21 1.25 1.79 -1.98 0.20 116.57 118.41 2yrn h LYS 110 Ca 0.38 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.82 2yrn h LYS 110 Cb 0.60 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2yrn h LYS 110 CO -0.85 0.26 -0.10 0.00 -1.08 0.00 0.00 179.45 177.68 2yrn h ALA 111 N 1.61 -0.29 0.20 3.86 0.00 0.45 -3.22 119.26 121.86 2yrn h ALA 111 Ca 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2yrn h ALA 111 Cb 1.25 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2yrn h ALA 111 CO -0.20 -0.27 -0.47 0.82 0.00 0.00 0.00 179.25 179.13 2yrn h ILE 112 N -1.00 0.00 -0.96 0.00 5.03 -0.77 -1.67 117.51 118.14 2yrn h ILE 112 Ca -0.03 0.00 0.34 0.00 -0.12 0.00 0.00 64.86 65.06 2yrn h ILE 112 Cb 0.21 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 33.83 2yrn h ILE 112 CO 0.05 0.00 0.31 0.18 -0.68 0.00 0.00 178.15 178.01 2yrn n LEU 113 N -5.18 0.15 0.02 1.44 4.77 0.66 0.49 117.00 119.35 2yrn n LEU 113 Ca -0.08 1.60 -0.11 0.00 -0.03 0.00 0.00 56.01 57.39 2yrn n LEU 113 Cb 0.38 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 2yrn n LEU 113 CO 0.16 -1.72 0.86 1.23 -1.33 0.00 0.00 177.39 176.59 2yrn h GLY 114 N 0.00 0.03 0.22 -0.72 0.00 -1.31 0.42 103.07 101.71 2yrn h GLY 114 Ca 0.72 0.02 0.01 0.00 0.00 0.00 0.00 47.33 48.08 2yrn h GLY 114 CO -0.80 -0.02 -0.50 -2.00 0.00 0.00 0.00 176.54 173.22 2yrn h LEU 115 N -0.00 -1.47 -1.70 3.11 6.46 0.27 -1.02 115.31 120.96 2yrn h LEU 115 Ca 0.03 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 2yrn h LEU 115 Cb 0.04 0.54 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2yrn h LEU 115 CO -0.05 -0.56 -0.18 -0.26 -0.62 0.00 0.00 178.44 176.77 2yrn h PHE 116 N -0.76 0.00 -0.34 1.25 0.04 -1.42 0.21 116.94 115.92 2yrn h PHE 116 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2yrn h PHE 116 Cb 0.76 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 2yrn h PHE 116 CO -0.40 0.18 0.06 0.35 -0.60 0.00 0.00 178.31 177.90 2yrn h PHE 117 N 0.00 0.50 0.01 -0.55 3.04 0.10 -2.75 116.94 117.30 2yrn h PHE 117 Ca -0.00 -0.03 -0.35 0.00 3.98 0.00 0.00 57.97 61.56 2yrn h PHE 117 Cb 0.35 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 2yrn h PHE 117 CO 0.00 0.46 -1.95 0.43 -2.02 0.00 0.00 178.31 175.23 2yrn n SER 118 N -4.33 1.93 -0.33 0.41 7.64 -0.51 -4.34 113.62 114.09 2yrn n SER 118 Ca 0.02 0.33 -0.05 0.00 1.01 0.00 0.00 58.87 60.18 2yrn n SER 118 Cb 0.20 -0.86 -0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2yrn h LEU 119 N -0.84 -1.53 -0.88 -3.43 5.85 -0.65 0.42 115.31 114.25 2yrn h LEU 119 Ca -0.52 0.29 0.23 0.00 0.84 0.00 0.00 57.88 58.72 2yrn h LEU 119 Cb 1.54 0.75 -0.14 0.00 0.37 0.00 0.00 40.66 43.18 2yrn h LEU 119 CO -0.27 -0.29 0.26 -1.28 -0.34 0.00 0.00 178.44 176.52 2yrn h SER 120 N -0.07 0.06 -0.25 1.25 0.87 -1.71 -0.22 113.55 113.47 2yrn h SER 120 Ca 0.27 0.19 0.06 0.00 -1.23 0.00 0.00 61.79 61.08 2yrn h SER 120 Cb 0.56 0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 62.68 2yrn h SER 120 CO -0.87 -0.13 -0.32 0.03 -0.53 0.00 0.00 176.83 175.01 2yrn h ARG 121 N 0.24 -0.31 -0.98 2.24 3.08 -0.36 0.22 114.38 118.52 2yrn h ARG 121 Ca 0.55 0.02 0.31 0.00 0.07 0.00 0.00 59.98 60.93 2yrn h ARG 121 Cb 1.10 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 31.04 2yrn h ARG 121 CO -0.63 -0.21 0.17 0.98 -1.07 0.00 0.00 179.97 179.21 2yrn n TYR 122 N -5.41 0.77 0.04 3.04 4.19 -0.10 -0.01 117.16 119.69 2yrn n TYR 122 Ca -0.01 1.17 -0.19 0.00 3.31 0.00 0.00 57.90 62.17 2yrn n TYR 122 Cb 0.33 -1.33 -0.14 0.00 0.49 0.00 0.00 39.34 38.69 2yrn n TYR 122 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 2yrn h LYS 123 N 0.00 0.30 -0.99 2.98 1.63 -1.20 -2.29 116.57 117.01 2yrn h LYS 123 Ca 0.66 -0.48 0.40 0.00 -0.85 0.00 0.00 60.65 60.38 2yrn h LYS 123 Cb 1.51 0.17 -0.16 0.00 -0.60 0.00 0.00 32.23 33.15 2yrn h LYS 123 CO -0.87 1.21 0.56 1.04 -3.45 0.00 0.00 179.45 177.94 2yrn n GLN 124 N -4.16 -0.05 -0.04 1.90 1.13 0.99 -0.02 117.38 117.13 2yrn n GLN 124 Ca -0.13 1.25 -0.20 0.00 -1.94 0.00 0.00 57.00 55.98 2yrn n GLN 124 Cb 0.78 -2.29 -0.13 0.00 0.11 0.00 0.00 30.24 28.71 2yrn n GLN 124 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2yrn n GLN 125 N -4.99 0.73 -0.32 -1.09 7.27 -0.88 -4.27 117.38 113.83 2yrn n GLN 125 Ca 0.36 0.23 0.29 0.00 0.07 0.00 0.00 57.00 57.95 2yrn n GLN 125 Cb 1.24 -1.65 0.54 0.00 2.41 0.00 0.00 30.24 32.77 2yrn n GLN 125 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2yrn n GLN 126 N -3.43 -0.06 -1.06 3.69 0.00 0.97 -4.59 117.38 112.90 2yrn n GLN 126 Ca -0.36 1.37 -0.37 0.00 -0.00 0.00 0.00 57.00 57.64 2yrn n GLN 126 Cb 1.03 -2.42 -0.03 0.00 0.00 0.00 0.00 30.24 28.82 2yrn n GLN 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2yrn n GLN 127 N -5.26 0.00 -1.66 3.69 10.64 -0.84 -4.76 117.38 119.19 2yrn n GLN 127 Ca 0.35 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 55.11 2yrn n GLN 127 Cb 1.19 -0.79 0.01 0.00 -0.86 0.00 0.00 30.24 29.79 2yrn n GLN 127 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2yrn n GLN 128 N 0.79 1.71 0.00 2.61 3.00 -1.26 -5.11 117.38 119.12 2yrn n GLN 128 Ca 0.14 0.61 0.08 0.00 -0.01 0.00 0.00 57.00 57.81 2yrn n GLN 128 Cb 0.18 -2.21 0.46 0.00 0.00 0.00 0.00 30.24 28.67 2yrn n GLN 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71