#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 2.10 -0.13 1.61 0.15 -1.26 -5.02 113.70 111.15 2yrn s SER 2 Ca 0.00 -0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.02 2yrn s SER 2 Cb 0.00 -0.49 -0.26 0.00 -1.71 0.00 0.00 66.02 63.55 2yrn s SER 2 CO 0.00 -0.24 0.71 0.28 1.20 0.00 0.00 173.24 175.19 2yrn h SER 3 N 8.30 0.13 0.00 5.45 0.02 -2.13 -3.49 113.55 121.83 2yrn h SER 3 Ca -0.18 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 2yrn h SER 3 Cb 1.12 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2yrn h SER 3 CO 0.29 1.20 0.00 0.61 -1.14 0.00 0.00 176.83 177.79 2yrn n GLY 4 N 1.61 2.51 3.68 -3.77 0.00 -1.26 -5.10 105.19 102.87 2yrn n GLY 4 Ca -0.15 0.03 -0.60 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 1.60 -4.62 1.61 2.88 -1.26 -4.80 113.62 109.03 2yrn n SER 5 Ca 0.00 1.13 -0.43 0.00 -1.33 0.00 0.00 58.87 58.24 2yrn n SER 5 Cb 0.00 -1.03 -0.03 0.00 -0.75 0.00 0.00 64.21 62.40 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 2.52 6.05 0.78 -3.46 0.15 -1.26 -4.98 113.70 113.50 2yrn s SER 6 Ca 0.98 1.69 -0.04 0.00 0.70 0.00 0.00 55.95 59.28 2yrn s SER 6 Cb -1.22 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 60.71 2yrn s SER 6 CO 0.68 -1.51 1.07 -0.83 1.20 0.00 0.00 173.24 173.84 2yrn s GLY 7 N 5.62 1.76 -0.06 9.45 0.00 -1.26 -5.05 107.32 117.78 2yrn s GLY 7 Ca 0.82 -1.68 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 2yrn s GLY 7 CO 0.33 -1.05 0.29 0.50 0.00 0.00 0.00 173.10 173.16 2yrn h LYS 8 N -0.77 -0.21 -2.62 2.90 1.57 -2.05 -3.47 116.57 111.91 2yrn h LYS 8 Ca -0.37 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 2yrn h LYS 8 Cb 1.26 0.05 -0.25 0.00 0.08 0.00 0.00 32.23 33.36 2yrn h LYS 8 CO 0.38 -0.14 -0.25 0.50 -0.57 0.00 0.00 179.45 179.37 2yrn s ARG 9 N -2.24 0.45 0.07 3.15 3.52 -1.26 -5.17 118.95 117.47 2yrn s ARG 9 Ca -0.03 0.75 -0.07 0.00 -0.13 0.00 0.00 55.73 56.25 2yrn s ARG 9 Cb 0.00 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.46 2yrn s ARG 9 CO 0.10 -0.12 0.13 0.15 -0.81 0.00 0.00 175.30 174.74 2yrn s LYS 10 N 0.99 0.75 -0.34 5.12 1.02 -1.26 -5.12 119.74 120.91 2yrn s LYS 10 Ca -0.06 -0.98 -0.29 0.00 0.02 0.00 0.00 55.97 54.67 2yrn s LYS 10 Cb -0.06 0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 2yrn s LYS 10 CO -0.08 -0.21 1.69 -1.25 -0.92 0.00 0.00 175.35 174.57 2yrn s PRO 11 N -3.66 3.43 -0.03 -1.68 0.04 -1.26 -4.98 135.00 126.85 2yrn s PRO 11 Ca 0.04 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2yrn s PRO 11 Cb 0.05 -4.14 0.02 0.00 0.04 0.00 0.00 34.50 30.46 2yrn s PRO 11 CO -0.10 -1.75 -0.04 0.54 0.04 0.00 0.00 177.00 175.70 2yrn s VAL 12 N 6.41 0.46 0.08 -0.36 0.11 -1.26 -5.15 120.40 120.69 2yrn s VAL 12 Ca 0.75 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.68 2yrn s VAL 12 Cb -0.20 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 2yrn s VAL 12 CO 0.33 0.18 0.23 -0.63 -3.33 0.00 0.00 175.10 171.89 2yrn s ILE 13 N 0.62 5.37 -0.85 7.04 1.09 -1.26 -5.06 121.20 128.15 2yrn s ILE 13 Ca -0.08 -0.46 -0.04 0.00 -1.10 0.00 0.00 60.65 58.97 2yrn s ILE 13 Cb -0.11 -3.66 0.21 0.00 -1.06 0.00 0.00 42.46 37.84 2yrn s ILE 13 CO -0.00 0.08 0.73 -1.00 -0.10 0.00 0.00 174.94 174.65 2yrn s HIS 14 N -1.57 3.80 1.05 3.97 3.76 -1.26 -5.03 115.29 120.01 2yrn s HIS 14 Ca 0.35 -2.78 -0.17 0.00 -0.15 0.00 0.00 55.06 52.30 2yrn s HIS 14 Cb -0.12 -3.38 0.06 0.00 1.11 0.00 0.00 32.58 30.24 2yrn s HIS 14 CO 0.28 -0.82 0.03 0.41 -0.85 0.00 0.00 174.74 173.79 2yrn n GLY 15 N 2.86 -2.45 0.32 -2.22 0.00 -1.26 -3.72 105.19 98.73 2yrn n GLY 15 Ca 0.17 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.07 -0.76 -0.19 0.99 4.77 -1.26 0.12 117.00 119.59 2yrn n LEU 16 Ca 0.02 1.37 -0.00 0.00 -0.03 0.00 0.00 56.01 57.37 2yrn n LEU 16 Cb 0.60 -0.20 0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2yrn n LEU 16 CO 0.51 -1.13 0.95 -0.33 -1.33 0.00 0.00 177.39 176.06 2yrn h GLU 17 N 0.00 0.32 -0.84 3.23 4.39 -2.01 -1.11 114.58 118.56 2yrn h GLU 17 Ca 0.15 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.84 2yrn h GLU 17 Cb 0.34 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2yrn h GLU 17 CO -0.73 0.21 0.55 -0.44 -1.16 0.00 0.00 179.01 177.44 2yrn h ASP 18 N 0.33 0.95 -0.25 1.42 3.32 0.64 -2.79 116.42 120.04 2yrn h ASP 18 Ca 0.30 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.39 2yrn h ASP 18 Cb 0.40 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 2yrn h ASP 18 CO -0.34 0.68 -0.17 1.56 -1.72 0.00 0.00 179.24 179.25 2yrn h GLN 19 N 1.12 -0.15 -0.92 3.56 4.20 0.78 -2.38 115.11 121.32 2yrn h GLN 19 Ca 0.31 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.16 2yrn h GLN 19 Cb -0.10 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 27.58 2yrn h GLN 19 CO -0.08 -0.10 -0.39 1.17 -0.67 0.00 0.00 178.83 178.75 2yrn n LYS 20 N -5.33 -0.25 -0.01 1.46 4.81 -1.02 0.07 118.16 117.88 2yrn n LYS 20 Ca -0.01 1.41 -0.09 0.00 -0.87 0.00 0.00 58.31 58.75 2yrn n LYS 20 Cb 0.25 -2.09 -0.03 0.00 0.02 0.00 0.00 35.03 33.18 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 -0.19 -0.89 1.64 9.65 -1.51 0.16 114.38 123.24 2yrn h ARG 21 Ca 0.29 0.01 0.24 0.00 -1.10 0.00 0.00 59.98 59.42 2yrn h ARG 21 Cb 0.52 0.04 -0.14 0.00 -1.39 0.00 0.00 29.97 28.99 2yrn h ARG 21 CO -0.90 -0.13 0.23 0.82 2.80 0.00 0.00 179.97 182.79 2yrn h ILE 22 N -0.20 0.29 0.03 1.20 2.04 -0.19 -0.68 117.51 120.01 2yrn h ILE 22 Ca 0.10 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 2yrn h ILE 22 Cb 0.35 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2yrn h ILE 22 CO -0.27 0.04 -0.01 1.88 0.00 0.00 0.00 178.15 179.79 2yrn h TYR 23 N 0.20 -0.03 -0.96 1.37 0.05 -0.59 -3.05 116.97 113.95 2yrn h TYR 23 Ca 0.56 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.51 2yrn h TYR 23 Cb 1.14 0.01 -0.17 0.00 1.01 0.00 0.00 36.73 38.73 2yrn h TYR 23 CO -0.27 0.54 -0.32 1.15 -1.05 0.00 0.00 178.16 178.21 2yrn h THR 24 N -0.63 0.03 -0.90 -2.88 2.02 0.49 0.78 112.91 111.81 2yrn h THR 24 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2yrn h THR 24 Cb 0.58 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2yrn h THR 24 CO 0.01 0.00 0.49 -0.78 0.37 0.00 0.00 175.52 175.61 2yrn h ASP 25 N -0.01 1.13 -0.23 4.18 1.82 -1.43 0.19 116.42 122.07 2yrn h ASP 25 Ca 0.39 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 2yrn h ASP 25 Cb 0.64 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2yrn h ASP 25 CO -0.97 0.90 0.15 -0.25 -1.61 0.00 0.00 179.24 177.46 2yrn h TRP 26 N 1.26 0.29 -0.29 0.28 7.01 0.56 -2.57 115.95 122.50 2yrn h TRP 26 Ca 0.32 0.01 -0.16 0.00 2.11 0.00 0.00 58.89 61.17 2yrn h TRP 26 Cb 0.03 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 26.99 2yrn h TRP 26 CO 0.01 0.19 -0.43 0.00 -2.79 0.00 0.00 178.44 175.42 2yrn h ALA 27 N 1.08 0.44 -0.48 2.65 0.00 -0.62 -3.26 119.26 119.08 2yrn h ALA 27 Ca 0.08 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.62 2yrn h ALA 27 Cb -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.58 2yrn h ALA 27 CO -0.02 0.58 -0.26 -0.91 0.00 0.00 0.00 179.25 178.64 2yrn h ASN 28 N 0.57 -0.87 -0.81 0.00 -0.26 -0.44 -1.07 115.58 112.70 2yrn h ASN 28 Ca 0.03 0.19 0.14 0.00 -0.56 0.00 0.00 56.30 56.10 2yrn h ASN 28 Cb 1.03 0.45 -0.15 0.00 -1.06 0.00 0.00 38.32 38.60 2yrn h ASN 28 CO 0.10 -0.27 -0.30 -0.74 -1.06 0.00 0.00 177.43 175.16 2yrn h HIS 29 N -0.15 -0.79 -0.02 1.19 2.76 -1.50 1.12 115.15 117.76 2yrn h HIS 29 Ca 0.22 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 2yrn h HIS 29 Cb 0.50 0.47 -0.00 0.00 1.55 0.00 0.00 27.41 29.92 2yrn h HIS 29 CO -0.52 -0.38 -0.02 1.88 -1.30 0.00 0.00 177.93 177.58 2yrn h TYR 30 N -0.05 0.03 -0.05 5.26 0.05 -1.34 0.11 116.97 120.97 2yrn h TYR 30 Ca 0.33 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.89 2yrn h TYR 30 Cb 0.59 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.34 2yrn h TYR 30 CO -0.72 0.05 -0.82 -0.07 -1.05 0.00 0.00 178.16 175.56 2yrn h LEU 31 N 0.03 0.82 -0.15 3.88 3.38 0.17 -2.67 115.31 120.76 2yrn h LEU 31 Ca 0.01 -0.70 -0.08 0.00 0.09 0.00 0.00 57.88 57.20 2yrn h LEU 31 Cb 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2yrn h LEU 31 CO 0.00 1.40 -0.21 0.00 0.09 0.00 0.00 178.44 179.73 2yrn h ALA 32 N 0.43 0.23 -0.48 1.53 0.00 0.15 -0.52 119.26 120.61 2yrn h ALA 32 Ca -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2yrn h ALA 32 Cb 1.48 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2yrn h ALA 32 CO 0.16 0.17 0.32 1.57 0.00 0.00 0.00 179.25 181.47 2yrn h LYS 33 N 0.03 0.62 -1.09 0.00 2.10 -0.90 -1.39 116.57 115.94 2yrn h LYS 33 Ca 0.02 -0.04 -0.24 0.00 -2.00 0.00 0.00 60.65 58.39 2yrn h LYS 33 Cb 0.77 -0.14 -0.14 0.00 -0.90 0.00 0.00 32.23 31.83 2yrn h LYS 33 CO 0.05 0.41 0.31 0.45 -2.00 0.00 0.00 179.45 178.67 2yrn n SER 34 N -4.47 3.81 -3.52 7.07 2.88 -1.01 -4.89 113.62 113.50 2yrn n SER 34 Ca 0.04 -2.76 -0.17 0.00 -1.33 0.00 0.00 58.87 54.65 2yrn n SER 34 Cb 0.06 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 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 -0.13 -1.23 2.72 0.46 0.00 -0.52 -4.97 105.19 101.52 2yrn n GLY 35 Ca 0.27 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.92 1.83 0.16 1.61 5.04 -0.21 -5.00 115.29 115.80 2yrn s HIS 36 Ca 0.02 -2.03 -0.23 0.00 -1.54 0.00 0.00 55.06 51.28 2yrn s HIS 36 Cb -0.00 -1.78 0.06 0.00 0.04 0.00 0.00 32.58 30.89 2yrn s HIS 36 CO 0.85 -0.84 1.60 0.87 -2.34 0.00 0.00 174.74 174.88 2yrn h LYS 37 N 7.51 -0.24 -7.07 2.88 1.57 -1.93 -3.40 116.57 115.89 2yrn h LYS 37 Ca -0.07 0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.19 2yrn h LYS 37 Cb 0.98 0.06 0.11 0.00 0.08 0.00 0.00 32.23 33.46 2yrn h LYS 37 CO 0.47 -0.16 0.50 0.50 -0.57 0.00 0.00 179.45 180.19 2yrn s ARG 38 N -6.02 3.13 0.23 3.15 3.52 -1.26 -5.04 118.95 116.66 2yrn s ARG 38 Ca -0.15 1.91 0.02 0.00 -0.13 0.00 0.00 55.73 57.38 2yrn s ARG 38 Cb 0.13 -2.07 -0.01 0.00 -1.56 0.00 0.00 34.95 31.44 2yrn s ARG 38 CO 0.68 -1.10 0.07 1.28 -0.81 0.00 0.00 175.30 175.42 2yrn n LEU 39 N -1.30 0.00 -4.51 -0.88 4.77 -1.26 -4.87 117.00 108.95 2yrn n LEU 39 Ca 0.12 -1.70 -0.41 0.00 -0.03 0.00 0.00 56.01 53.99 2yrn n LEU 39 Cb 0.48 0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 41.99 2yrn n LEU 39 CO 0.47 -0.26 -0.05 -0.63 -1.33 0.00 0.00 177.39 175.59 2yrn s ILE 40 N -2.33 5.23 -0.13 -0.08 1.01 -1.26 -4.96 121.20 118.69 2yrn s ILE 40 Ca 0.10 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 2yrn s ILE 40 Cb 0.00 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2yrn s ILE 40 CO 0.07 -0.16 -0.13 0.03 0.00 0.00 0.00 174.94 174.74 2yrn h ARG 41 N 8.55 0.00 -4.38 2.79 3.08 -1.98 -3.45 114.38 118.99 2yrn h ARG 41 Ca -0.29 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.08 2yrn h ARG 41 Cb 1.14 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.83 2yrn h ARG 41 CO 0.69 0.00 -0.58 -0.51 -1.07 0.00 0.00 179.97 178.51 2yrn s ASP 42 N -5.57 5.08 0.47 7.04 1.01 -1.26 -4.95 116.67 118.49 2yrn s ASP 42 Ca -0.11 -2.21 0.30 0.00 0.71 0.00 0.00 52.55 51.24 2yrn s ASP 42 Cb 0.02 -1.77 1.38 0.00 1.01 0.00 0.00 42.92 43.55 2yrn s ASP 42 CO 0.17 -0.47 1.75 0.25 0.21 0.00 0.00 175.17 177.07 2yrn h LEU 43 N 7.75 0.21 -0.32 1.23 5.85 -1.92 1.26 115.31 129.36 2yrn h LEU 43 Ca -0.09 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 2yrn h LEU 43 Cb 1.02 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 2yrn h LEU 43 CO 0.66 0.00 -0.36 1.56 -0.34 0.00 0.00 178.44 179.96 2yrn h GLN 44 N 0.16 0.82 -0.67 1.25 4.20 -1.93 -2.94 115.11 116.00 2yrn h GLN 44 Ca 0.64 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2yrn h GLN 44 Cb 2.13 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.94 2yrn h GLN 44 CO -0.18 1.08 0.00 1.04 -0.67 0.00 0.00 178.83 180.09 2yrn n GLN 45 N -4.15 3.61 -0.10 1.46 6.02 0.17 -4.13 117.38 120.25 2yrn n GLN 45 Ca -0.03 -2.87 -0.13 0.00 -0.01 0.00 0.00 57.00 53.96 2yrn n GLN 45 Cb 0.52 -1.85 -0.12 0.00 1.02 0.00 0.00 30.24 29.81 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 1.21 1.63 -2.14 1.08 9.92 0.38 -4.48 116.55 124.16 2yrn n ASP 46 Ca 0.26 -0.07 -0.26 0.00 -0.53 0.00 0.00 54.79 54.18 2yrn n ASP 46 Cb 0.86 0.16 0.13 0.00 -0.64 0.00 0.00 41.12 41.63 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 -2.95 3.27 0.07 2.53 0.24 -1.12 -4.34 118.33 116.02 2yrn n VAL 47 Ca -0.35 -2.61 -0.18 0.00 -2.04 0.00 0.00 64.34 59.16 2yrn n VAL 47 Cb 0.98 -0.79 -0.14 0.00 -1.47 0.00 0.00 33.84 32.42 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 1.08 1.10 0.00 3.34 1.35 -1.75 -3.36 112.91 114.67 2yrn h THR 48 Ca 0.56 -2.72 -0.01 0.00 -0.55 0.00 0.00 66.41 63.69 2yrn h THR 48 Cb 1.78 2.77 -0.00 0.00 -1.73 0.00 0.00 68.15 70.96 2yrn h THR 48 CO 1.21 0.82 -1.75 0.47 -0.25 0.00 0.00 175.52 176.02 2yrn n ASP 49 N -3.49 0.22 0.00 5.36 8.00 -1.26 -4.43 116.55 120.95 2yrn n ASP 49 Ca -0.18 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2yrn n ASP 49 Cb 1.05 1.56 0.00 0.00 -0.02 0.00 0.00 41.12 43.71 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 1.26 2.78 0.25 0.44 0.00 -1.26 -4.16 105.19 104.50 2yrn n GLY 50 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.94 1.61 2.07 -1.91 0.77 116.25 117.86 2yrn h VAL 51 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2yrn h VAL 51 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 2yrn h VAL 51 CO 0.00 0.00 0.61 0.25 0.02 0.00 0.00 177.57 178.45 2yrn h LEU 52 N -0.25 0.94 0.05 2.57 6.46 -1.90 -2.54 115.31 120.63 2yrn h LEU 52 Ca 0.03 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 2yrn h LEU 52 Cb 0.34 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 2yrn h LEU 52 CO -0.29 0.59 -0.30 0.25 -0.62 0.00 0.00 178.44 178.07 2yrn h LEU 53 N 1.06 -0.87 -0.65 2.25 5.85 -1.40 -2.25 115.31 119.29 2yrn h LEU 53 Ca 0.41 0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.33 2yrn h LEU 53 Cb 0.22 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 2yrn h LEU 53 CO -0.16 -0.37 0.29 0.00 -0.34 0.00 0.00 178.44 177.86 2yrn h ALA 54 N 0.26 0.88 -1.26 1.25 0.00 -0.51 -1.38 119.26 118.50 2yrn h ALA 54 Ca 0.05 0.07 0.45 0.00 0.00 0.00 0.00 54.91 55.48 2yrn h ALA 54 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.19 2yrn h ALA 54 CO -0.22 -0.12 0.78 1.04 0.00 0.00 0.00 179.25 180.73 2yrn n GLN 55 N -4.93 -0.04 -0.04 0.00 6.02 -0.85 0.08 117.38 117.62 2yrn n GLN 55 Ca 0.10 1.25 -0.19 0.00 -0.01 0.00 0.00 57.00 58.15 2yrn n GLN 55 Cb 0.27 -2.42 -0.13 0.00 1.02 0.00 0.00 30.24 28.99 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 1.24 0.34 5.09 5.03 -1.27 -3.31 117.51 124.62 2yrn h ILE 56 Ca 0.85 -2.34 -0.00 0.00 -0.12 0.00 0.00 64.86 63.26 2yrn h ILE 56 Cb 2.64 2.80 -0.03 0.00 -3.03 0.00 0.00 36.82 39.19 2yrn h ILE 56 CO -0.53 0.57 -0.47 0.40 -0.68 0.00 0.00 178.15 177.44 2yrn h ILE 57 N -0.69 0.08 -1.17 -0.67 2.04 0.01 0.16 117.51 117.26 2yrn h ILE 57 Ca -0.22 0.00 0.34 0.00 1.00 0.00 0.00 64.86 65.97 2yrn h ILE 57 Cb 1.42 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 2yrn h ILE 57 CO -0.03 0.00 0.83 1.56 0.00 0.00 0.00 178.15 180.51 2yrn h GLN 58 N -0.85 0.07 0.02 2.37 4.20 -0.72 0.62 115.11 120.82 2yrn h GLN 58 Ca -0.03 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2yrn h GLN 58 Cb 0.79 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2yrn h GLN 58 CO -0.14 0.05 -0.01 0.28 -0.67 0.00 0.00 178.83 178.34 2yrn h VAL 59 N 0.07 0.00 -0.21 -0.54 2.07 -1.29 0.30 116.25 116.66 2yrn h VAL 59 Ca 0.58 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.92 2yrn h VAL 59 Cb 2.16 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2yrn h VAL 59 CO -0.07 0.00 0.37 1.62 0.02 0.00 0.00 177.57 179.51 2yrn h VAL 60 N -0.27 0.22 0.00 2.57 3.04 -0.34 0.54 116.25 122.00 2yrn h VAL 60 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2yrn h VAL 60 Cb 0.02 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 2yrn h VAL 60 CO 0.00 0.00 -1.25 0.00 -1.01 0.00 0.00 177.57 175.32 2yrn n ALA 61 N -2.14 4.27 -3.76 3.17 0.00 0.21 -4.94 120.51 117.32 2yrn n ALA 61 Ca 0.03 -0.58 -0.27 0.00 0.00 0.00 0.00 53.44 52.62 2yrn n ALA 61 Cb 0.49 -0.77 0.05 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.69 -4.90 -3.96 0.00 3.02 0.19 -4.98 115.26 102.94 2yrn n ASN 62 Ca 0.02 -0.69 -0.09 0.00 -0.03 0.00 0.00 54.58 53.79 2yrn n ASN 62 Cb 0.39 -4.38 -0.08 0.00 -0.61 0.00 0.00 39.78 35.10 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 -6.39 0.93 -0.09 3.52 2.56 0.76 -5.00 118.70 114.98 2yrn s GLU 63 Ca 0.54 -1.12 0.00 0.00 0.00 0.00 0.00 54.97 54.39 2yrn s GLU 63 Cb -0.26 0.32 -0.03 0.00 2.00 0.00 0.00 34.13 36.17 2yrn s GLU 63 CO 0.79 -0.30 -0.09 0.21 -0.56 0.00 0.00 175.26 175.31 2yrn s LYS 64 N -3.93 2.99 -0.40 4.30 2.47 -1.26 -4.08 119.74 119.83 2yrn s LYS 64 Ca 0.12 -0.60 -0.15 0.00 -1.56 0.00 0.00 55.97 53.77 2yrn s LYS 64 Cb 0.05 -2.61 0.02 0.00 -1.46 0.00 0.00 37.83 33.83 2yrn s LYS 64 CO -0.06 0.49 0.33 0.42 0.16 0.00 0.00 175.35 176.69 2yrn s ILE 65 N -0.35 5.22 0.17 5.43 1.01 -1.26 -4.93 121.20 126.49 2yrn s ILE 65 Ca 0.04 -0.52 0.12 0.00 0.00 0.00 0.00 60.65 60.29 2yrn s ILE 65 Cb -0.12 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2yrn s ILE 65 CO 0.02 -0.30 1.55 -0.33 0.00 0.00 0.00 174.94 175.89 2yrn h GLU 66 N 8.63 0.00 -2.01 2.79 5.08 -2.00 -3.26 114.58 123.82 2yrn h GLU 66 Ca -0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 2yrn h GLU 66 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2yrn h GLU 66 CO 0.73 0.63 -0.13 -0.25 -1.00 0.00 0.00 179.01 178.99 2yrn n ASP 67 N -3.58 5.18 -4.35 1.42 9.92 -1.26 -4.82 116.55 119.06 2yrn n ASP 67 Ca -0.00 -2.40 -0.32 0.00 -0.53 0.00 0.00 54.79 51.53 2yrn n ASP 67 Cb 0.67 -1.20 -0.15 0.00 -0.64 0.00 0.00 41.12 39.80 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 0.41 2.66 -0.33 0.53 -1.09 -1.23 -4.49 121.20 117.66 2yrn s ILE 68 Ca 0.23 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 2yrn s ILE 68 Cb 0.11 -2.05 0.10 0.00 -1.58 0.00 0.00 42.46 39.04 2yrn s ILE 68 CO 0.00 0.56 0.06 0.21 -1.23 0.00 0.00 174.94 174.54 2yrn s ASN 69 N -0.09 4.54 -0.02 3.58 2.47 -1.26 -4.98 114.94 119.18 2yrn s ASN 69 Ca -0.04 -1.99 -0.00 0.00 0.42 0.00 0.00 52.86 51.26 2yrn s ASN 69 Cb -0.14 -1.41 0.02 0.00 -1.45 0.00 0.00 41.25 38.27 2yrn s ASN 69 CO 0.04 -0.38 1.75 0.61 -3.72 0.00 0.00 177.10 175.40 2yrn n GLY 70 N 4.43 2.49 2.44 1.21 0.00 -1.26 -4.15 105.19 110.35 2yrn n GLY 70 Ca 0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.83 2.50 -0.16 0.00 0.04 -1.26 -4.65 135.00 128.63 2yrn s PRO 72 Ca 0.40 -1.19 -0.19 0.00 0.04 0.00 0.00 61.00 60.06 2yrn s PRO 72 Cb 0.36 -5.25 -0.23 0.00 0.04 0.00 0.00 34.50 29.43 2yrn s PRO 72 CO -0.08 -3.98 0.38 0.87 0.04 0.00 0.00 177.00 174.23 2yrn h LYS 73 N 9.69 0.09 -5.92 4.56 1.79 -1.96 -3.46 116.57 121.37 2yrn h LYS 73 Ca 0.22 -0.15 -0.62 0.00 -2.18 0.00 0.00 60.65 57.92 2yrn h LYS 73 Cb 0.94 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.60 2yrn h LYS 73 CO 1.23 1.07 -0.48 -0.80 -1.08 0.00 0.00 179.45 179.39 2yrn s ASN 74 N -6.85 6.38 0.59 0.86 -0.87 -1.26 -4.96 114.94 108.83 2yrn s ASN 74 Ca -0.25 0.32 0.29 0.00 -1.57 0.00 0.00 52.86 51.65 2yrn s ASN 74 Cb 0.05 -1.98 1.30 0.00 -0.02 0.00 0.00 41.25 40.59 2yrn s ASN 74 CO 0.67 0.18 1.67 0.08 -2.57 0.00 0.00 177.10 177.13 2yrn h ARG 75 N 3.20 0.00 0.03 -0.60 0.11 -2.01 0.14 114.38 115.25 2yrn h ARG 75 Ca -0.46 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.56 2yrn h ARG 75 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2yrn h ARG 75 CO 0.74 0.00 -0.27 0.77 0.10 0.00 0.00 179.97 181.31 2yrn h SER 76 N 0.00 0.11 -0.78 0.08 0.02 -1.98 -3.36 113.55 107.64 2yrn h SER 76 Ca 0.34 -0.96 0.11 0.00 -0.84 0.00 0.00 61.79 60.44 2yrn h SER 76 Cb 1.91 -0.04 -0.12 0.00 0.14 0.00 0.00 62.40 64.29 2yrn h SER 76 CO -0.00 1.12 -0.33 0.00 -1.14 0.00 0.00 176.83 176.48 2yrn n GLN 77 N -4.48 -0.21 -0.28 3.45 1.13 0.48 0.19 117.38 117.67 2yrn n GLN 77 Ca -0.12 1.19 0.07 0.00 -1.94 0.00 0.00 57.00 56.20 2yrn n GLN 77 Cb 0.57 -1.77 0.22 0.00 0.11 0.00 0.00 30.24 29.38 2yrn n GLN 77 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 2yrn h MET 78 N 0.00 0.44 -0.49 -1.09 2.86 -1.70 -2.56 114.93 112.39 2yrn h MET 78 Ca 0.25 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 2yrn h MET 78 Cb 0.44 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 2yrn h MET 78 CO -0.76 0.29 -0.34 0.82 1.06 0.00 0.00 176.91 177.98 2yrn h ILE 79 N 0.45 0.00 -0.69 -1.22 1.08 0.19 -1.55 117.51 115.77 2yrn h ILE 79 Ca 0.46 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.99 2yrn h ILE 79 Cb 0.74 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.39 2yrn h ILE 79 CO -0.43 0.00 -0.52 -0.33 -0.69 0.00 0.00 178.15 176.18 2yrn h GLU 80 N -0.06 -0.14 -0.44 2.37 3.07 -1.44 0.18 114.58 118.12 2yrn h GLU 80 Ca 0.08 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.99 2yrn h GLU 80 Cb 0.27 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.15 2yrn h GLU 80 CO -0.49 -0.09 -0.26 0.09 -1.40 0.00 0.00 179.01 176.86 2yrn n ASN 81 N -5.05 -0.47 -0.35 1.42 3.02 -0.62 0.73 115.26 113.95 2yrn n ASN 81 Ca -0.00 1.14 -0.01 0.00 -0.03 0.00 0.00 54.58 55.68 2yrn n ASN 81 Cb 0.26 -0.28 0.12 0.00 -0.61 0.00 0.00 39.78 39.28 2yrn n ASN 81 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2yrn h ILE 82 N 0.00 1.17 -0.03 2.41 2.04 -0.99 -2.81 117.51 119.30 2yrn h ILE 82 Ca 0.07 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.56 2yrn h ILE 82 Cb 0.18 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.07 2yrn h ILE 82 CO -0.42 0.22 -0.32 -0.78 0.00 0.00 0.00 178.15 176.85 2yrn h ASP 83 N 1.20 -0.97 -0.91 1.72 3.58 0.33 -1.30 116.42 120.07 2yrn h ASP 83 Ca 0.37 0.13 0.23 0.00 0.42 0.00 0.00 57.03 58.18 2yrn h ASP 83 Cb -0.01 0.39 -0.13 0.00 1.72 0.00 0.00 39.33 41.30 2yrn h ASP 83 CO -0.12 -0.38 0.42 0.00 -2.88 0.00 0.00 179.24 176.28 2yrn h ALA 84 N 0.29 1.50 -0.07 -0.78 0.00 -0.41 0.24 119.26 120.02 2yrn h ALA 84 Ca 0.07 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2yrn h ALA 84 Cb 0.56 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2yrn h ALA 84 CO -0.29 -0.36 0.03 0.00 0.00 0.00 0.00 179.25 178.63 2yrn h LEU 86 N -0.04 -0.05 -0.34 0.00 3.38 -0.02 0.20 115.31 118.44 2yrn h LEU 86 Ca 0.02 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2yrn h LEU 86 Cb 0.18 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2yrn h LEU 86 CO -0.00 0.01 -0.25 0.78 0.09 0.00 0.00 178.44 179.07 2yrn h ASN 87 N 0.16 0.80 -0.25 -0.43 2.35 -1.10 -2.55 115.58 114.56 2yrn h ASN 87 Ca 0.17 -0.44 0.02 0.00 -0.55 0.00 0.00 56.30 55.50 2yrn h ASN 87 Cb 0.22 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2yrn h ASN 87 CO -0.25 1.07 0.11 0.15 -1.65 0.00 0.00 177.43 176.87 2yrn h PHE 88 N 0.54 0.21 -0.09 1.19 3.04 0.20 -2.70 116.94 119.34 2yrn h PHE 88 Ca 0.06 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.03 2yrn h PHE 88 Cb 0.81 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 2yrn h PHE 88 CO 0.06 0.11 0.02 -0.07 -2.02 0.00 0.00 178.31 176.42 2yrn h LEU 89 N 0.25 0.01 -0.93 0.59 3.38 -0.61 -2.43 115.31 115.56 2yrn h LEU 89 Ca 0.10 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.33 2yrn h LEU 89 Cb 0.04 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.67 2yrn h LEU 89 CO -0.08 0.02 0.44 0.00 0.09 0.00 0.00 178.44 178.91 2yrn h ALA 90 N 1.06 1.56 -0.48 1.53 0.00 -1.22 0.46 119.26 122.17 2yrn h ALA 90 Ca 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2yrn h ALA 90 Cb 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2yrn h ALA 90 CO -0.05 -0.38 0.10 0.00 0.00 0.00 0.00 179.25 178.92 2yrn h ALA 91 N 1.74 1.26 0.00 0.00 0.00 -1.13 -2.26 119.26 118.88 2yrn h ALA 91 Ca 0.60 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2yrn h ALA 91 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2yrn h ALA 91 CO -0.54 0.51 -0.42 0.87 0.00 0.00 0.00 179.25 179.67 2yrn h LYS 92 N 0.71 0.00 0.00 0.00 1.79 0.09 -3.46 116.57 115.71 2yrn h LYS 92 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2yrn h LYS 92 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2yrn h LYS 92 CO 0.00 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 2yrn n GLY 93 N -0.11 0.87 3.14 3.86 0.00 -0.56 -5.12 105.19 107.27 2yrn n GLY 93 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.69 1.85 -0.34 -0.61 1.01 -1.08 -4.86 121.20 115.49 2yrn s ILE 94 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 2yrn s ILE 94 Cb 0.00 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 2yrn s ILE 94 CO 0.00 0.51 1.61 0.21 0.00 0.00 0.00 174.94 177.27 2yrn s ASN 95 N 0.77 6.16 -0.15 3.58 3.84 -1.26 -3.63 114.94 124.25 2yrn s ASN 95 Ca -0.10 1.16 0.14 0.00 0.21 0.00 0.00 52.86 54.28 2yrn s ASN 95 Cb -0.16 -2.53 -0.20 0.00 -0.55 0.00 0.00 41.25 37.81 2yrn s ASN 95 CO 0.01 -1.52 0.07 2.30 -2.79 0.00 0.00 177.10 175.17 2yrn n ILE 96 N 7.11 1.05 -1.34 -5.21 -5.35 -1.26 -4.93 119.36 109.43 2yrn n ILE 96 Ca 0.20 -0.66 -0.55 0.00 -0.27 0.00 0.00 62.75 61.46 2yrn n ILE 96 Cb 0.47 -0.54 -0.09 0.00 -1.74 0.00 0.00 39.64 37.74 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 -2.57 0.00 0.00 6.28 6.02 -1.26 -1.14 117.38 124.71 2yrn n GLN 97 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2yrn n GLN 97 Cb 0.99 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.99 2yrn n GLN 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yrn n GLY 98 N 4.35 2.83 3.38 1.08 0.00 -1.26 -5.11 105.19 110.47 2yrn n GLY 98 Ca 0.33 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2yrn n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yrn s LEU 99 N 0.00 -0.47 -0.26 0.99 1.43 -0.29 -5.06 118.68 115.02 2yrn s LEU 99 Ca 0.00 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2yrn s LEU 99 Cb 0.00 -2.50 0.14 0.00 0.03 0.00 0.00 46.19 43.86 2yrn s LEU 99 CO 0.00 -4.96 0.37 -0.44 0.23 0.00 0.00 176.35 171.55 2yrn s SER 100 N -3.16 0.48 0.30 2.29 0.01 -1.26 -5.03 113.70 107.34 2yrn s SER 100 Ca 0.69 -0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.95 2yrn s SER 100 Cb -0.15 1.01 0.79 0.00 0.21 0.00 0.00 66.02 67.88 2yrn s SER 100 CO 0.59 -0.32 1.67 0.00 0.41 0.00 0.00 173.24 175.58 2yrn h ALA 101 N 8.19 1.46 0.54 1.44 0.00 -1.95 -0.48 119.26 128.46 2yrn h ALA 101 Ca -0.16 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2yrn h ALA 101 Cb 1.14 0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2yrn h ALA 101 CO 0.28 -0.45 -0.26 1.49 0.00 0.00 0.00 179.25 180.31 2yrn h GLU 102 N 0.29 -0.70 -0.96 0.00 4.81 -1.95 -1.15 114.58 114.92 2yrn h GLU 102 Ca 0.59 0.05 0.19 0.00 -0.13 0.00 0.00 59.36 60.06 2yrn h GLU 102 Cb 1.21 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.64 2yrn h GLU 102 CO -0.61 -0.47 0.55 0.93 -0.73 0.00 0.00 179.01 178.69 2yrn h GLU 103 N -0.73 0.66 -0.57 1.92 4.39 -1.55 0.52 114.58 119.22 2yrn h GLU 103 Ca -0.07 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 2yrn h GLU 103 Cb 0.56 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2yrn h GLU 103 CO 0.12 0.43 0.03 0.82 -1.16 0.00 0.00 179.01 179.26 2yrn h ILE 104 N 0.68 1.26 -0.56 3.13 2.04 -0.96 -2.18 117.51 120.92 2yrn h ILE 104 Ca 0.56 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 2yrn h ILE 104 Cb 0.90 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2yrn h ILE 104 CO -0.40 0.39 0.24 -0.09 0.00 0.00 0.00 178.15 178.29 2yrn h ARG 105 N 0.87 0.79 0.00 2.37 2.43 0.34 -1.78 114.38 119.40 2yrn h ARG 105 Ca 0.16 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2yrn h ARG 105 Cb 0.50 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2yrn h ARG 105 CO 0.02 0.64 -0.35 -0.91 -1.51 0.00 0.00 179.97 177.86 2yrn h ASN 106 N 0.79 0.00 -0.06 -3.80 2.35 -1.02 -3.43 115.58 110.41 2yrn h ASN 106 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2yrn h ASN 106 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2yrn h ASN 106 CO -0.02 0.35 0.00 0.61 -1.65 0.00 0.00 177.43 176.72 2yrn n GLY 107 N 0.04 1.45 3.59 2.83 0.00 -0.67 -4.99 105.19 107.45 2yrn n GLY 107 Ca -0.01 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.14 6.46 0.24 1.61 2.47 -0.86 -4.83 114.94 117.90 2yrn s ASN 108 Ca 0.00 0.41 -0.15 0.00 0.42 0.00 0.00 52.86 53.54 2yrn s ASN 108 Cb 0.00 -2.55 0.30 0.00 -1.45 0.00 0.00 41.25 37.55 2yrn s ASN 108 CO 0.00 -1.41 1.56 0.25 -3.72 0.00 0.00 177.10 173.78 2yrn h LEU 109 N 11.85 -1.23 -0.92 3.21 5.85 -1.95 0.79 115.31 132.91 2yrn h LEU 109 Ca -0.25 0.30 0.24 0.00 0.84 0.00 0.00 57.88 59.00 2yrn h LEU 109 Cb 1.07 0.69 -0.13 0.00 0.37 0.00 0.00 40.66 42.66 2yrn h LEU 109 CO 1.14 -0.30 0.42 0.11 -0.34 0.00 0.00 178.44 179.48 2yrn h LYS 110 N -0.01 0.38 0.40 1.25 1.79 -1.98 0.22 116.57 118.63 2yrn h LYS 110 Ca 0.38 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.80 2yrn h LYS 110 Cb 0.63 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2yrn h LYS 110 CO -0.96 0.25 -0.19 0.00 -1.08 0.00 0.00 179.45 177.47 2yrn h ALA 111 N 1.74 -0.62 -0.08 3.86 0.00 0.20 -3.00 119.26 121.36 2yrn h ALA 111 Ca 0.59 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.40 2yrn h ALA 111 Cb 1.16 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2yrn h ALA 111 CO -0.54 -0.58 -0.35 0.82 0.00 0.00 0.00 179.25 178.59 2yrn h ILE 112 N -0.97 0.00 -0.99 0.00 5.03 -0.68 -0.52 117.51 119.38 2yrn h ILE 112 Ca -0.06 0.00 0.36 0.00 -0.12 0.00 0.00 64.86 65.05 2yrn h ILE 112 Cb 0.41 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.03 2yrn h ILE 112 CO 0.09 0.00 0.43 -0.07 -0.68 0.00 0.00 178.15 177.92 2yrn h LEU 113 N -0.37 0.18 0.17 1.44 3.38 -0.73 0.24 115.31 119.62 2yrn h LEU 113 Ca 0.02 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2yrn h LEU 113 Cb 0.43 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2yrn h LEU 113 CO -0.28 -0.36 -0.08 1.23 0.09 0.00 0.00 178.44 179.04 2yrn h GLY 114 N 0.07 -0.24 0.08 0.83 0.00 -0.97 0.81 103.07 103.65 2yrn h GLY 114 Ca 0.77 0.09 0.08 0.00 0.00 0.00 0.00 47.33 48.26 2yrn h GLY 114 CO -0.76 -0.09 -0.19 -2.00 0.00 0.00 0.00 176.54 173.49 2yrn h LEU 115 N -0.39 -0.65 -0.57 3.11 6.46 0.32 0.55 115.31 124.15 2yrn h LEU 115 Ca -0.02 0.14 -0.16 0.00 -0.12 0.00 0.00 57.88 57.72 2yrn h LEU 115 Cb 0.30 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 2yrn h LEU 115 CO 0.04 -0.23 -0.68 -0.26 -0.62 0.00 0.00 178.44 176.69 2yrn h PHE 116 N -0.14 0.26 -0.35 1.25 0.04 -1.35 0.15 116.94 116.79 2yrn h PHE 116 Ca 0.18 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2yrn h PHE 116 Cb 0.41 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2yrn h PHE 116 CO -0.41 0.81 0.16 0.35 -0.60 0.00 0.00 178.31 178.62 2yrn h PHE 117 N 0.13 0.47 0.00 -0.55 3.04 0.19 -2.59 116.94 117.63 2yrn h PHE 117 Ca -0.02 -0.01 -0.31 0.00 3.98 0.00 0.00 57.97 61.61 2yrn h PHE 117 Cb 1.21 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.52 2yrn h PHE 117 CO 0.02 0.36 -1.77 0.43 -2.02 0.00 0.00 178.31 175.33 2yrn n SER 118 N -4.42 1.90 -0.35 0.41 7.64 0.06 -4.39 113.62 114.48 2yrn n SER 118 Ca 0.02 0.39 -0.09 0.00 1.01 0.00 0.00 58.87 60.20 2yrn n SER 118 Cb 0.12 -0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 62.37 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 -1.00 -1.89 -0.98 -3.43 5.85 -0.73 0.23 115.31 113.36 2yrn h LEU 119 Ca -0.47 0.31 0.23 0.00 0.84 0.00 0.00 57.88 58.78 2yrn h LEU 119 Cb 1.39 0.86 -0.18 0.00 0.37 0.00 0.00 40.66 43.09 2yrn h LEU 119 CO -0.29 -0.28 -0.11 -1.28 -0.34 0.00 0.00 178.44 176.15 2yrn h SER 120 N -0.08 -0.70 -0.97 1.25 0.87 -1.69 0.46 113.55 112.69 2yrn h SER 120 Ca 0.19 0.29 0.26 0.00 -1.23 0.00 0.00 61.79 61.30 2yrn h SER 120 Cb 0.49 0.55 -0.18 0.00 -0.44 0.00 0.00 62.40 62.82 2yrn h SER 120 CO -0.88 -0.34 0.03 0.03 -0.53 0.00 0.00 176.83 175.14 2yrn h ARG 121 N 0.00 0.02 -0.84 2.24 3.08 -0.73 0.48 114.38 118.63 2yrn h ARG 121 Ca 0.53 -0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.77 2yrn h ARG 121 Cb 0.97 -0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.86 2yrn h ARG 121 CO -0.97 0.01 -0.11 -0.92 -1.07 0.00 0.00 179.97 176.92 2yrn h TYR 122 N 0.02 -0.26 0.00 3.04 3.20 -0.12 -0.90 116.97 121.95 2yrn h TYR 122 Ca 0.58 0.07 -0.06 0.00 3.14 0.00 0.00 58.73 62.46 2yrn h TYR 122 Cb 1.19 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.70 2yrn h TYR 122 CO -0.49 -0.34 -0.40 -0.22 -1.64 0.00 0.00 178.16 175.07 2yrn h LYS 123 N 0.03 0.00 -0.74 1.82 1.63 -0.34 -3.33 116.57 115.64 2yrn h LYS 123 Ca 0.44 0.00 0.22 0.00 -0.85 0.00 0.00 60.65 60.46 2yrn h LYS 123 Cb 0.75 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.24 2yrn h LYS 123 CO -0.82 0.70 0.06 1.04 -3.45 0.00 0.00 179.45 176.98 2yrn n GLN 124 N -4.60 -0.06 0.40 1.90 1.13 0.64 -0.05 117.38 116.75 2yrn n GLN 124 Ca -0.14 1.10 -0.16 0.00 -1.94 0.00 0.00 57.00 55.87 2yrn n GLN 124 Cb 0.42 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 28.92 2yrn n GLN 124 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2yrn h GLN 125 N 0.00 -0.99 -5.53 -1.09 5.75 -1.32 -3.35 115.11 108.58 2yrn h GLN 125 Ca 0.47 0.07 -0.32 0.00 -0.15 0.00 0.00 58.65 58.72 2yrn h GLN 125 Cb 1.02 0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.75 2yrn h GLN 125 CO -0.68 -0.66 0.97 1.14 -2.65 0.00 0.00 178.83 176.94 2yrn s GLN 126 N -5.16 2.49 -0.51 1.69 -2.07 0.93 -4.90 119.66 112.13 2yrn s GLN 126 Ca -0.15 -0.92 -0.22 0.00 -1.82 0.00 0.00 55.36 52.25 2yrn s GLN 126 Cb 0.01 -5.19 0.04 0.00 -1.09 0.00 0.00 33.01 26.78 2yrn s GLN 126 CO 0.45 -3.84 0.81 -0.65 -1.32 0.00 0.00 175.29 170.74 2yrn s GLN 127 N 6.64 3.30 -1.16 9.60 -0.21 -1.26 -4.24 119.66 132.33 2yrn s GLN 127 Ca 0.69 -0.37 -0.04 0.00 0.02 0.00 0.00 55.36 55.65 2yrn s GLN 127 Cb -0.02 -4.03 -0.03 0.00 1.00 0.00 0.00 33.01 29.93 2yrn s GLN 127 CO 0.09 -1.30 0.89 1.04 -2.12 0.00 0.00 175.29 173.89 2yrn n GLN 128 N 6.90 -4.15 0.00 2.91 3.00 -1.26 -5.20 117.38 119.58 2yrn n GLN 128 Ca -0.00 0.77 0.08 0.00 -0.01 0.00 0.00 57.00 57.83 2yrn n GLN 128 Cb 0.47 -5.53 0.47 0.00 0.00 0.00 0.00 30.24 25.65 2yrn n GLN 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71