#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn n SER 2 N 0.00 0.35 -4.53 1.61 2.88 -1.26 -4.94 113.62 107.73 2yrn n SER 2 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2yrn n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2yrn n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yrn s SER 3 N -4.91 6.29 0.51 -3.46 0.01 -1.26 -4.99 113.70 105.89 2yrn s SER 3 Ca 0.00 -0.93 0.08 0.00 1.31 0.00 0.00 55.95 56.41 2yrn s SER 3 Cb 0.00 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.75 2yrn s SER 3 CO 0.00 -1.62 0.58 -0.83 0.41 0.00 0.00 173.24 171.78 2yrn s GLY 4 N 4.04 2.00 0.30 3.44 0.00 -1.26 -5.14 107.32 110.69 2yrn s GLY 4 Ca 0.35 -1.81 -0.10 0.00 0.00 0.00 0.00 44.72 43.16 2yrn s GLY 4 CO 0.06 -1.72 0.53 -0.45 0.00 0.00 0.00 173.10 171.52 2yrn s SER 5 N -4.42 0.23 -0.13 1.64 0.15 -1.26 -5.16 113.70 104.75 2yrn s SER 5 Ca 0.51 -1.12 -0.10 0.00 0.70 0.00 0.00 55.95 55.94 2yrn s SER 5 Cb -0.05 0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 2yrn s SER 5 CO 0.32 -1.28 0.21 -0.44 1.20 0.00 0.00 173.24 173.24 2yrn s SER 6 N -3.09 6.42 -0.57 5.45 0.01 -1.26 -5.02 113.70 115.65 2yrn s SER 6 Ca 0.23 0.50 0.04 0.00 1.31 0.00 0.00 55.95 58.03 2yrn s SER 6 Cb -0.01 -2.12 0.38 0.00 0.21 0.00 0.00 66.02 64.47 2yrn s SER 6 CO 0.13 0.29 1.16 0.61 0.41 0.00 0.00 173.24 175.84 2yrn n GLY 7 N 2.57 5.83 3.58 3.44 0.00 -1.26 -5.02 105.19 114.32 2yrn n GLY 7 Ca -0.17 -2.74 -0.43 0.00 0.00 0.00 0.00 46.02 42.68 2yrn n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yrn s LYS 8 N -3.61 3.63 -0.31 1.61 -2.85 -1.26 -4.91 119.74 112.04 2yrn s LYS 8 Ca 0.48 0.33 -0.00 0.00 -1.00 0.00 0.00 55.97 55.78 2yrn s LYS 8 Cb 0.34 -3.90 0.26 0.00 -2.06 0.00 0.00 37.83 32.46 2yrn s LYS 8 CO -0.18 -1.22 1.88 2.89 0.10 0.00 0.00 175.35 178.82 2yrn n ARG 9 N 7.27 1.80 -4.81 1.78 1.85 -1.26 -4.89 116.66 118.40 2yrn n ARG 9 Ca 0.08 -1.62 -0.32 0.00 -1.00 0.00 0.00 57.85 54.99 2yrn n ARG 9 Cb 0.49 -1.64 -0.13 0.00 -1.05 0.00 0.00 32.46 30.13 2yrn n ARG 9 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2yrn s LYS 10 N -1.87 2.25 -0.54 2.89 3.01 -1.26 -5.07 119.74 119.16 2yrn s LYS 10 Ca 0.32 -0.86 -0.27 0.00 -1.01 0.00 0.00 55.97 54.15 2yrn s LYS 10 Cb 0.25 -2.25 -0.02 0.00 -1.01 0.00 0.00 37.83 34.80 2yrn s LYS 10 CO 0.01 0.58 1.82 -1.25 0.51 0.00 0.00 175.35 177.02 2yrn s PRO 11 N -1.09 2.83 -0.05 -1.68 0.04 -1.26 -4.97 135.00 128.82 2yrn s PRO 11 Ca 0.13 0.80 0.05 0.00 0.04 0.00 0.00 61.00 62.02 2yrn s PRO 11 Cb -0.10 -4.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 2yrn s PRO 11 CO 0.03 -2.48 -0.21 0.08 0.04 0.00 0.00 177.00 174.46 2yrn s VAL 12 N 8.40 1.71 0.30 -0.36 1.01 -1.26 -5.14 120.40 125.07 2yrn s VAL 12 Ca 0.69 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2yrn s VAL 12 Cb -0.15 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2yrn s VAL 12 CO 0.24 0.48 0.55 -0.63 0.00 0.00 0.00 175.10 175.74 2yrn s ILE 13 N 0.00 5.05 -0.43 2.22 1.01 -1.26 -5.07 121.20 122.72 2yrn s ILE 13 Ca -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.55 2yrn s ILE 13 Cb -0.13 -3.76 0.14 0.00 0.01 0.00 0.00 42.46 38.72 2yrn s ILE 13 CO 0.03 -0.38 0.26 -1.00 0.00 0.00 0.00 174.94 173.85 2yrn s HIS 14 N -2.14 1.65 1.00 3.97 3.76 -1.26 -5.08 115.29 117.18 2yrn s HIS 14 Ca 0.43 -2.26 -0.17 0.00 -0.15 0.00 0.00 55.06 52.90 2yrn s HIS 14 Cb -0.10 -1.57 -0.08 0.00 1.11 0.00 0.00 32.58 31.94 2yrn s HIS 14 CO 0.32 -0.78 -0.49 0.41 -0.85 0.00 0.00 174.74 173.34 2yrn n GLY 15 N 3.49 -3.52 0.33 -2.22 0.00 -1.26 -3.76 105.19 98.24 2yrn n GLY 15 Ca 0.13 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 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 1.69 -0.74 -0.24 0.99 4.77 -1.26 0.14 117.00 122.34 2yrn n LEU 16 Ca 0.01 1.41 0.01 0.00 -0.03 0.00 0.00 56.01 57.40 2yrn n LEU 16 Cb 0.58 -0.22 0.13 0.00 -2.33 0.00 0.00 43.42 41.58 2yrn n LEU 16 CO 0.51 -1.18 1.08 1.05 -1.33 0.00 0.00 177.39 177.51 2yrn h GLU 17 N 0.00 0.61 -0.27 3.23 4.11 -2.00 -0.31 114.58 119.95 2yrn h GLU 17 Ca 0.17 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.57 2yrn h GLU 17 Cb 0.37 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2yrn h GLU 17 CO -0.76 0.40 0.16 -0.44 0.07 0.00 0.00 179.01 178.45 2yrn h ASP 18 N 0.63 0.31 0.34 3.06 5.19 0.93 -2.78 116.42 124.11 2yrn h ASP 18 Ca 0.34 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.72 2yrn h ASP 18 Cb 0.33 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2yrn h ASP 18 CO -0.25 0.24 -0.16 1.56 -3.12 0.00 0.00 179.24 177.51 2yrn h GLN 19 N 0.37 -0.44 -0.81 3.56 4.20 0.10 -2.95 115.11 119.14 2yrn h GLN 19 Ca 0.10 0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.02 2yrn h GLN 19 Cb -0.02 0.10 -0.15 0.00 0.30 0.00 0.00 27.48 27.71 2yrn h GLN 19 CO -0.02 -0.25 -0.12 1.17 -0.67 0.00 0.00 178.83 178.93 2yrn n LYS 20 N -5.26 -0.07 0.46 1.46 4.81 -1.05 -0.06 118.16 118.45 2yrn n LYS 20 Ca -0.10 1.24 -0.20 0.00 -0.87 0.00 0.00 58.31 58.38 2yrn n LYS 20 Cb 0.22 -1.90 -0.10 0.00 0.02 0.00 0.00 35.03 33.27 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 -1.16 -0.93 1.64 1.12 -1.61 0.16 114.38 113.61 2yrn h ARG 21 Ca 0.42 0.08 0.18 0.00 -1.11 0.00 0.00 59.98 59.56 2yrn h ARG 21 Cb 0.74 0.26 -0.17 0.00 -0.01 0.00 0.00 29.97 30.79 2yrn h ARG 21 CO -0.81 -0.77 -0.24 0.82 -3.11 0.00 0.00 179.97 175.86 2yrn h ILE 22 N -1.20 0.07 0.07 1.20 2.04 -0.39 0.38 117.51 119.68 2yrn h ILE 22 Ca -0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2yrn h ILE 22 Cb 0.94 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2yrn h ILE 22 CO 0.17 0.00 -0.04 1.88 0.00 0.00 0.00 178.15 180.17 2yrn h TYR 23 N -0.00 -0.09 -0.86 1.37 0.05 -1.18 -2.50 116.97 113.76 2yrn h TYR 23 Ca 0.44 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.31 2yrn h TYR 23 Cb 0.67 0.03 -0.12 0.00 1.01 0.00 0.00 36.73 38.32 2yrn h TYR 23 CO -0.73 0.27 -0.53 1.15 -1.05 0.00 0.00 178.16 177.28 2yrn h THR 24 N -0.47 0.01 -0.83 -2.88 2.02 0.14 0.30 112.91 111.20 2yrn h THR 24 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2yrn h THR 24 Cb 0.40 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2yrn h THR 24 CO 0.02 0.00 0.55 -0.78 0.37 0.00 0.00 175.52 175.68 2yrn h ASP 25 N -0.08 0.96 -0.71 4.18 3.58 -1.30 -0.02 116.42 123.02 2yrn h ASP 25 Ca 0.19 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.72 2yrn h ASP 25 Cb 0.49 -0.24 -0.08 0.00 1.72 0.00 0.00 39.33 41.23 2yrn h ASP 25 CO -0.87 0.69 0.32 -0.25 -2.88 0.00 0.00 179.24 176.26 2yrn h TRP 26 N 1.13 0.57 -0.05 0.28 7.01 -0.03 -1.87 115.95 123.00 2yrn h TRP 26 Ca 0.31 0.03 -0.24 0.00 2.11 0.00 0.00 58.89 61.10 2yrn h TRP 26 Cb -0.13 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 26.79 2yrn h TRP 26 CO -0.01 0.17 -0.92 0.00 -2.79 0.00 0.00 178.44 174.88 2yrn h ALA 27 N 1.46 0.28 -1.09 2.65 0.00 -0.47 -3.19 119.26 118.90 2yrn h ALA 27 Ca 0.36 -0.67 0.30 0.00 0.00 0.00 0.00 54.91 54.91 2yrn h ALA 27 Cb 0.44 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2yrn h ALA 27 CO -0.31 0.73 0.75 -0.91 0.00 0.00 0.00 179.25 179.51 2yrn h ASN 28 N 0.38 0.16 0.25 0.00 -0.26 -0.18 -0.08 115.58 115.86 2yrn h ASN 28 Ca -0.09 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 2yrn h ASN 28 Cb 1.55 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 2yrn h ASN 28 CO 0.18 0.03 -0.12 -0.74 -1.06 0.00 0.00 177.43 175.71 2yrn h HIS 29 N 0.14 -0.31 0.00 1.19 2.76 -1.47 0.23 115.15 117.69 2yrn h HIS 29 Ca 0.55 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.72 2yrn h HIS 29 Cb 1.90 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.97 2yrn h HIS 29 CO -0.00 -0.04 -0.01 1.88 -1.30 0.00 0.00 177.93 178.46 2yrn h TYR 30 N -0.56 0.00 0.14 5.26 0.05 -1.17 0.14 116.97 120.83 2yrn h TYR 30 Ca -0.03 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.43 2yrn h TYR 30 Cb 0.41 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.15 2yrn h TYR 30 CO -0.00 0.01 -1.63 -0.07 -1.05 0.00 0.00 178.16 175.41 2yrn h LEU 31 N 0.00 0.47 -0.86 3.88 3.38 -1.00 -3.23 115.31 117.94 2yrn h LEU 31 Ca -0.00 -0.89 -0.10 0.00 0.09 0.00 0.00 57.88 56.98 2yrn h LEU 31 Cb 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2yrn h LEU 31 CO 0.00 1.72 -0.47 0.00 0.09 0.00 0.00 178.44 179.78 2yrn h ALA 32 N 0.02 0.99 -0.30 1.53 0.00 0.08 -0.97 119.26 120.61 2yrn h ALA 32 Ca -0.34 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 53.96 2yrn h ALA 32 Cb 1.92 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2yrn h ALA 32 CO 0.10 0.59 -0.51 1.57 0.00 0.00 0.00 179.25 180.99 2yrn h LYS 33 N 0.00 0.87 -0.97 0.00 2.10 -0.88 -2.96 116.57 114.73 2yrn h LYS 33 Ca -0.00 -0.53 -0.08 0.00 -2.00 0.00 0.00 60.65 58.03 2yrn h LYS 33 Cb 0.98 0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 32.31 2yrn h LYS 33 CO 0.06 1.17 0.11 0.45 -2.00 0.00 0.00 179.45 179.24 2yrn n SER 34 N -4.01 2.83 -3.75 7.07 2.88 -1.18 -4.86 113.62 112.60 2yrn n SER 34 Ca -0.04 -2.33 -0.31 0.00 -1.33 0.00 0.00 58.87 54.86 2yrn n SER 34 Cb 0.61 -0.57 0.03 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.12 -0.84 3.64 0.46 0.00 -1.12 -4.94 105.19 102.51 2yrn n GLY 35 Ca 0.12 0.39 -0.38 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.55 3.30 -0.05 1.61 5.04 -0.38 -4.97 115.29 116.29 2yrn s HIS 36 Ca 0.39 0.40 -0.06 0.00 -1.54 0.00 0.00 55.06 54.25 2yrn s HIS 36 Cb -0.14 -2.47 -0.25 0.00 0.04 0.00 0.00 32.58 29.75 2yrn s HIS 36 CO 0.87 -0.09 3.48 1.63 -2.34 0.00 0.00 174.74 178.30 2yrn n LYS 37 N 4.80 1.97 -3.61 2.88 4.01 -1.26 -4.71 118.16 122.25 2yrn n LYS 37 Ca -0.10 -1.00 0.02 0.00 -0.51 0.00 0.00 58.31 56.71 2yrn n LYS 37 Cb 0.51 -2.01 -0.00 0.00 -0.51 0.00 0.00 35.03 33.02 2yrn n LYS 37 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2yrn s ARG 38 N 1.12 0.35 0.24 1.97 3.52 -1.26 -5.19 118.95 119.70 2yrn s ARG 38 Ca 0.64 -0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 56.02 2yrn s ARG 38 Cb 0.30 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.79 2yrn s ARG 38 CO -0.00 -0.16 0.28 -0.51 -0.81 0.00 0.00 175.30 174.10 2yrn s LEU 39 N -2.96 0.97 -0.39 -0.88 1.43 -1.26 -4.76 118.68 110.83 2yrn s LEU 39 Ca 0.14 -1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 51.75 2yrn s LEU 39 Cb 0.05 0.90 0.01 0.00 0.03 0.00 0.00 46.19 47.18 2yrn s LEU 39 CO -0.04 -1.00 0.50 -0.63 0.23 0.00 0.00 176.35 175.41 2yrn s ILE 40 N -3.92 5.02 -0.10 -0.59 1.01 -1.26 -4.95 121.20 116.41 2yrn s ILE 40 Ca 0.34 0.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 2yrn s ILE 40 Cb 0.04 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 2yrn s ILE 40 CO 0.14 -0.34 -0.07 -0.09 0.00 0.00 0.00 174.94 174.58 2yrn h ARG 41 N 8.63 0.00 -4.54 2.79 9.65 -1.99 -3.45 114.38 125.47 2yrn h ARG 41 Ca -0.27 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 57.92 2yrn h ARG 41 Cb 1.12 0.00 -0.36 0.00 -1.39 0.00 0.00 29.97 29.34 2yrn h ARG 41 CO 0.79 0.00 -0.59 -0.51 2.80 0.00 0.00 179.97 182.46 2yrn s ASP 42 N -5.18 5.13 0.61 -3.80 1.11 -1.26 -4.95 116.67 108.34 2yrn s ASP 42 Ca -0.05 -2.06 0.24 0.00 0.18 0.00 0.00 52.55 50.86 2yrn s ASP 42 Cb 0.01 -1.78 1.04 0.00 1.07 0.00 0.00 42.92 43.26 2yrn s ASP 42 CO 0.08 -0.50 1.50 0.25 1.18 0.00 0.00 175.17 177.68 2yrn h LEU 43 N 7.93 0.00 0.15 1.23 5.85 -1.87 1.18 115.31 129.78 2yrn h LEU 43 Ca -0.11 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.31 2yrn h LEU 43 Cb 1.04 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.10 2yrn h LEU 43 CO 0.65 0.00 -1.30 1.56 -0.34 0.00 0.00 178.44 179.01 2yrn h GLN 44 N 0.00 0.61 0.00 1.25 4.20 -1.92 -3.28 115.11 115.97 2yrn h GLN 44 Ca 0.31 -0.86 -0.07 0.00 0.06 0.00 0.00 58.65 58.09 2yrn h GLN 44 Cb 2.11 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 30.17 2yrn h GLN 44 CO -0.00 1.40 -0.52 1.96 -0.67 0.00 0.00 178.83 180.99 2yrn h GLN 45 N 0.26 0.00 -0.61 1.46 1.08 0.78 -3.34 115.11 114.74 2yrn h GLN 45 Ca -0.20 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.17 2yrn h GLN 45 Cb 1.97 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.38 2yrn h GLN 45 CO 0.25 0.53 1.01 -0.44 -0.95 0.00 0.00 178.83 179.23 2yrn h ASP 46 N -1.00 0.00 -0.84 1.46 3.32 -0.26 1.42 116.42 120.51 2yrn h ASP 46 Ca -0.11 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.35 2yrn h ASP 46 Cb 0.76 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.95 2yrn h ASP 46 CO -0.07 0.00 -0.06 1.33 -1.72 0.00 0.00 179.24 178.73 2yrn n VAL 47 N -3.07 3.01 -0.05 -1.35 0.24 -1.24 -3.93 118.33 111.94 2yrn n VAL 47 Ca 0.13 -3.60 -0.12 0.00 -2.04 0.00 0.00 64.34 58.72 2yrn n VAL 47 Cb 1.20 -1.11 -0.14 0.00 -1.47 0.00 0.00 33.84 32.31 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 -0.82 1.56 0.74 3.34 -2.24 0.48 -4.28 114.28 113.07 2yrn n THR 48 Ca 0.52 -0.77 0.09 0.00 -2.27 0.00 0.00 64.05 61.62 2yrn n THR 48 Cb 0.85 -1.02 -0.12 0.00 -2.10 0.00 0.00 70.33 67.94 2yrn n THR 48 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2yrn n ASP 49 N -3.05 0.82 0.00 3.42 5.75 -1.26 -4.54 116.55 117.68 2yrn n ASP 49 Ca -0.27 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 2yrn n ASP 49 Cb 1.08 1.18 0.00 0.00 -1.03 0.00 0.00 41.12 42.35 2yrn n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yrn n GLY 50 N 1.44 2.73 0.18 6.12 0.00 -1.26 -4.49 105.19 109.92 2yrn n GLY 50 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.29 1.61 2.07 -1.88 -2.08 116.25 115.68 2yrn h VAL 51 Ca 0.00 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.44 2yrn h VAL 51 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2yrn h VAL 51 CO 0.00 0.00 0.23 0.25 0.02 0.00 0.00 177.57 178.07 2yrn h LEU 52 N -0.61 0.00 0.48 2.57 6.46 -1.89 -2.19 115.31 120.13 2yrn h LEU 52 Ca -0.05 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2yrn h LEU 52 Cb 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2yrn h LEU 52 CO 0.08 0.00 -0.23 0.25 -0.62 0.00 0.00 178.44 177.91 2yrn h LEU 53 N 0.00 -0.55 -1.35 2.25 5.85 -1.67 -3.08 115.31 116.76 2yrn h LEU 53 Ca 0.14 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.86 2yrn h LEU 53 Cb 0.60 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2yrn h LEU 53 CO -0.00 -0.22 0.50 0.00 -0.34 0.00 0.00 178.44 178.37 2yrn h ALA 54 N -0.51 1.72 -1.56 1.25 0.00 -0.86 -1.57 119.26 117.74 2yrn h ALA 54 Ca -0.07 -0.02 0.45 0.00 0.00 0.00 0.00 54.91 55.28 2yrn h ALA 54 Cb 0.59 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2yrn h ALA 54 CO 0.11 0.15 1.11 1.96 0.00 0.00 0.00 179.25 182.58 2yrn h GLN 55 N 0.76 0.01 0.05 0.00 4.20 -1.31 0.24 115.11 119.07 2yrn h GLN 55 Ca 0.34 -0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.74 2yrn h GLN 55 Cb 0.33 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2yrn h GLN 55 CO -0.12 0.01 -1.70 -0.89 -0.67 0.00 0.00 178.83 175.46 2yrn n ILE 56 N -4.10 1.64 -0.29 2.54 -0.00 -0.60 -3.84 119.36 114.71 2yrn n ILE 56 Ca 0.35 -0.34 0.03 0.00 -0.00 0.00 0.00 62.75 62.79 2yrn n ILE 56 Cb 1.60 -1.88 0.17 0.00 -0.00 0.00 0.00 39.64 39.53 2yrn n ILE 56 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 2yrn h ILE 57 N -0.51 0.89 0.00 1.39 2.04 -0.66 0.44 117.51 121.11 2yrn h ILE 57 Ca -0.41 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2yrn h ILE 57 Cb 1.66 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2yrn h ILE 57 CO -0.09 0.14 0.00 1.56 0.00 0.00 0.00 178.15 179.76 2yrn h GLN 58 N 0.76 0.00 0.05 2.37 4.20 -0.81 0.50 115.11 122.18 2yrn h GLN 58 Ca 0.39 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.75 2yrn h GLN 58 Cb 0.38 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2yrn h GLN 58 CO -0.26 0.00 -2.10 0.28 -0.67 0.00 0.00 178.83 176.08 2yrn n VAL 59 N -2.68 1.63 0.06 -0.54 0.31 0.70 -2.30 118.33 115.50 2yrn n VAL 59 Ca 0.01 -0.69 -0.03 0.00 -0.01 0.00 0.00 64.34 63.62 2yrn n VAL 59 Cb 0.24 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 2yrn n VAL 59 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2yrn h VAL 60 N 0.03 0.96 0.00 2.52 3.04 -0.11 -3.31 116.25 119.39 2yrn h VAL 60 Ca -0.45 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 62.70 2yrn h VAL 60 Cb 2.02 2.41 0.00 0.00 -2.01 0.00 0.00 31.29 33.71 2yrn h VAL 60 CO 0.04 0.55 -1.00 0.00 -1.01 0.00 0.00 177.57 176.14 2yrn n ALA 61 N -2.37 3.64 -3.41 3.17 0.00 0.18 -4.92 120.51 116.79 2yrn n ALA 61 Ca -0.05 -0.44 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 2yrn n ALA 61 Cb 0.88 -0.94 0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.83 -3.25 -3.71 0.00 4.13 -1.08 -5.01 115.26 104.50 2yrn n ASN 62 Ca 0.02 -0.57 -0.10 0.00 1.68 0.00 0.00 54.58 55.62 2yrn n ASN 62 Cb 0.41 -4.87 -0.05 0.00 -1.54 0.00 0.00 39.78 33.73 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2yrn s GLU 63 N -5.57 1.08 -0.13 3.52 -6.30 -0.97 -5.03 118.70 105.29 2yrn s GLU 63 Ca 0.16 -0.81 -0.02 0.00 -2.50 0.00 0.00 54.97 51.80 2yrn s GLU 63 Cb -0.07 0.45 -0.03 0.00 0.00 0.00 0.00 34.13 34.48 2yrn s GLU 63 CO 0.69 -0.42 -0.06 0.21 0.02 0.00 0.00 175.26 175.71 2yrn s LYS 64 N -3.84 3.44 -0.55 4.30 2.20 -1.26 -4.12 119.74 119.92 2yrn s LYS 64 Ca 0.05 -0.55 -0.19 0.00 -0.36 0.00 0.00 55.97 54.92 2yrn s LYS 64 Cb 0.02 -2.80 0.08 0.00 -1.51 0.00 0.00 37.83 33.62 2yrn s LYS 64 CO -0.10 0.32 0.65 0.42 -0.36 0.00 0.00 175.35 176.29 2yrn s ILE 65 N 0.12 4.87 -0.49 5.43 1.01 -1.26 -4.89 121.20 125.98 2yrn s ILE 65 Ca -0.02 -0.76 0.26 0.00 0.00 0.00 0.00 60.65 60.12 2yrn s ILE 65 Cb -0.14 -4.38 0.29 0.00 0.01 0.00 0.00 42.46 38.23 2yrn s ILE 65 CO 0.03 -0.95 1.76 -0.33 0.00 0.00 0.00 174.94 175.45 2yrn h GLU 66 N 9.08 0.00 -1.49 2.79 5.08 -2.00 -3.18 114.58 124.85 2yrn h GLU 66 Ca -0.28 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.87 2yrn h GLU 66 Cb 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 2yrn h GLU 66 CO 1.03 0.00 0.27 -0.25 -1.00 0.00 0.00 179.01 179.05 2yrn n ASP 67 N -2.42 5.33 -4.18 1.42 8.00 -1.26 -4.82 116.55 118.62 2yrn n ASP 67 Ca 0.03 -2.77 -0.34 0.00 0.71 0.00 0.00 54.79 52.43 2yrn n ASP 67 Cb 0.33 -0.95 -0.15 0.00 -0.02 0.00 0.00 41.12 40.32 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 -1.44 2.45 0.08 0.53 -1.09 -1.21 -4.58 121.20 115.94 2yrn s ILE 68 Ca 0.20 -0.81 -0.24 0.00 -2.23 0.00 0.00 60.65 57.57 2yrn s ILE 68 Cb 0.16 -2.05 -0.16 0.00 -1.58 0.00 0.00 42.46 38.83 2yrn s ILE 68 CO 0.01 0.51 1.71 -1.13 -1.23 0.00 0.00 174.94 174.80 2yrn h ASN 69 N 7.89 -0.08 0.00 3.58 -0.73 -1.90 -3.48 115.58 120.87 2yrn h ASN 69 Ca -0.43 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.72 2yrn h ASN 69 Cb 1.15 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.76 2yrn h ASN 69 CO 0.62 -0.04 0.00 0.61 -0.37 0.00 0.00 177.43 178.25 2yrn n GLY 70 N -1.07 1.96 2.92 1.57 0.00 -1.26 -4.80 105.19 104.50 2yrn n GLY 70 Ca -0.08 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.83 4.43 0.00 0.00 0.04 -1.26 -4.92 135.00 131.46 2yrn s PRO 72 Ca 0.30 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2yrn s PRO 72 Cb -0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2yrn s PRO 72 CO -0.08 -0.14 0.00 0.36 0.04 0.00 0.00 177.00 177.19 2yrn n LYS 73 N 1.78 1.50 -3.46 4.56 -0.00 -1.26 -4.91 118.16 116.37 2yrn n LYS 73 Ca 0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.96 2yrn n LYS 73 Cb 0.43 -0.89 -0.06 0.00 -0.00 0.00 0.00 35.03 34.51 2yrn n LYS 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2yrn s ASN 74 N -1.70 6.85 0.60 -5.58 2.47 -1.26 -4.94 114.94 111.38 2yrn s ASN 74 Ca 0.00 1.02 0.28 0.00 0.42 0.00 0.00 52.86 54.57 2yrn s ASN 74 Cb 0.00 -2.27 1.28 0.00 -1.45 0.00 0.00 41.25 38.81 2yrn s ASN 74 CO 0.00 0.31 1.69 -0.09 -3.72 0.00 0.00 177.10 175.29 2yrn h ARG 75 N 4.60 0.00 0.00 0.43 9.65 -2.03 0.60 114.38 127.63 2yrn h ARG 75 Ca -0.51 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 58.09 2yrn h ARG 75 Cb 1.22 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.75 2yrn h ARG 75 CO 0.62 0.00 -2.08 -1.13 2.80 0.00 0.00 179.97 180.18 2yrn n SER 76 N -3.46 0.28 -0.33 -3.80 3.41 -1.26 -4.32 113.62 104.14 2yrn n SER 76 Ca 0.12 0.13 0.17 0.00 -0.26 0.00 0.00 58.87 59.03 2yrn n SER 76 Cb 0.92 0.82 0.37 0.00 -0.26 0.00 0.00 64.21 66.07 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 0.44 -0.22 4.33 1.08 -0.16 0.80 115.11 121.38 2yrn h GLN 77 Ca -0.38 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 2yrn h GLN 77 Cb 1.96 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 29.28 2yrn h GLN 77 CO 0.04 0.29 -0.00 0.52 -0.95 0.00 0.00 178.83 178.73 2yrn h MET 78 N 0.45 0.39 -0.93 1.46 2.86 -1.73 -3.17 114.93 114.26 2yrn h MET 78 Ca 0.63 -0.12 0.17 0.00 -2.06 0.00 0.00 59.70 58.32 2yrn h MET 78 Cb 1.26 -0.03 -0.17 0.00 0.06 0.00 0.00 31.60 32.72 2yrn h MET 78 CO -0.53 0.58 -0.30 0.82 1.06 0.00 0.00 176.91 178.54 2yrn h ILE 79 N 0.15 0.05 -0.73 -1.22 1.08 -1.04 0.56 117.51 116.36 2yrn h ILE 79 Ca 0.06 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.66 2yrn h ILE 79 Cb 0.41 0.05 -0.09 0.00 -3.07 0.00 0.00 36.82 34.12 2yrn h ILE 79 CO 0.01 0.00 0.30 -0.33 -0.69 0.00 0.00 178.15 177.44 2yrn h GLU 80 N -0.01 0.46 0.00 2.37 4.39 -1.49 -1.53 114.58 118.76 2yrn h GLU 80 Ca 0.40 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2yrn h GLU 80 Cb 0.64 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2yrn h GLU 80 CO -0.95 0.30 0.00 0.09 -1.16 0.00 0.00 179.01 177.29 2yrn n ASN 81 N -4.97 0.00 -0.33 1.42 4.13 0.19 -0.17 115.26 115.53 2yrn n ASN 81 Ca 0.13 0.98 0.12 0.00 1.68 0.00 0.00 54.58 57.49 2yrn n ASN 81 Cb 0.37 -0.48 0.31 0.00 -1.54 0.00 0.00 39.78 38.44 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 0.65 -0.41 2.41 5.03 -1.39 -0.33 117.51 123.47 2yrn h ILE 82 Ca 0.00 -0.22 0.05 0.00 -0.12 0.00 0.00 64.86 64.57 2yrn h ILE 82 Cb 0.00 -0.06 -0.04 0.00 -3.03 0.00 0.00 36.82 33.69 2yrn h ILE 82 CO 0.00 0.12 0.15 -0.78 -0.68 0.00 0.00 178.15 176.96 2yrn h ASP 83 N 0.65 0.17 -0.46 1.72 1.82 -0.37 -1.98 116.42 117.97 2yrn h ASP 83 Ca 0.56 0.04 0.08 0.00 -0.39 0.00 0.00 57.03 57.33 2yrn h ASP 83 Cb 0.92 0.02 -0.07 0.00 0.68 0.00 0.00 39.33 40.89 2yrn h ASP 83 CO -0.42 0.13 0.05 0.00 -1.61 0.00 0.00 179.24 177.40 2yrn h ALA 84 N 1.26 0.48 -0.53 -0.78 0.00 0.12 -0.72 119.26 119.10 2yrn h ALA 84 Ca 0.19 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2yrn h ALA 84 Cb 0.17 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2yrn h ALA 84 CO -0.19 -0.35 0.32 0.00 0.00 0.00 0.00 179.25 179.03 2yrn h LEU 86 N 0.63 0.51 -0.46 0.00 3.38 -0.60 -0.05 115.31 118.72 2yrn h LEU 86 Ca 0.22 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 2yrn h LEU 86 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2yrn h LEU 86 CO -0.10 0.36 -0.40 0.78 0.09 0.00 0.00 178.44 179.17 2yrn h ASN 87 N 0.62 0.90 -0.85 -0.43 2.35 -0.74 -2.32 115.58 115.10 2yrn h ASN 87 Ca 0.19 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.49 2yrn h ASN 87 Cb -0.02 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 2yrn h ASN 87 CO -0.07 1.18 0.39 0.15 -1.65 0.00 0.00 177.43 177.44 2yrn h PHE 88 N 0.68 1.24 -0.00 1.19 3.04 0.02 -2.63 116.94 120.47 2yrn h PHE 88 Ca 0.05 -0.07 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 2yrn h PHE 88 Cb 0.98 -0.38 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 2yrn h PHE 88 CO 0.06 0.90 -0.00 -0.07 -2.02 0.00 0.00 178.31 177.17 2yrn h LEU 89 N 1.21 0.00 -0.96 0.59 3.38 -0.94 -3.09 115.31 115.51 2yrn h LEU 89 Ca 0.29 -0.38 0.22 0.00 0.09 0.00 0.00 57.88 58.10 2yrn h LEU 89 Cb 0.14 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 2yrn h LEU 89 CO -0.03 0.38 0.53 0.00 0.09 0.00 0.00 178.44 179.40 2yrn h ALA 90 N 0.62 1.62 0.00 1.53 0.00 -1.30 0.63 119.26 122.35 2yrn h ALA 90 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2yrn h ALA 90 Cb 0.38 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2yrn h ALA 90 CO 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 179.25 178.92 2yrn h ALA 91 N 1.69 1.48 0.00 0.00 0.00 -1.39 -0.66 119.26 120.37 2yrn h ALA 91 Ca 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2yrn h ALA 91 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2yrn h ALA 91 CO -0.46 0.12 -0.04 1.63 0.00 0.00 0.00 179.25 180.50 2yrn n LYS 92 N -3.90 0.20 0.00 0.00 4.76 0.22 -4.90 118.16 114.53 2yrn n LYS 92 Ca -0.02 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2yrn n LYS 92 Cb 0.19 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 2yrn n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yrn n GLY 93 N 1.36 1.60 3.30 0.72 0.00 -0.26 -5.12 105.19 106.80 2yrn n GLY 93 Ca 0.06 0.00 -0.33 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 -2.00 2.59 -0.18 -0.61 1.01 -1.15 -5.01 121.20 115.86 2yrn s ILE 94 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 2yrn s ILE 94 Cb 0.00 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 2yrn s ILE 94 CO 0.00 0.54 1.51 0.21 0.00 0.00 0.00 174.94 177.20 2yrn s ASN 95 N 0.36 6.61 -0.01 3.58 3.84 -1.26 -3.72 114.94 124.33 2yrn s ASN 95 Ca -0.14 1.74 0.10 0.00 0.21 0.00 0.00 52.86 54.76 2yrn s ASN 95 Cb -0.17 -2.53 -0.15 0.00 -0.55 0.00 0.00 41.25 37.85 2yrn s ASN 95 CO 0.07 -1.05 0.23 2.30 -2.79 0.00 0.00 177.10 175.86 2yrn n ILE 96 N 5.94 0.00 -1.42 -5.21 -5.35 -1.26 -4.98 119.36 107.08 2yrn n ILE 96 Ca 0.17 -0.23 -0.48 0.00 -0.27 0.00 0.00 62.75 61.94 2yrn n ILE 96 Cb 0.45 0.33 -0.12 0.00 -1.74 0.00 0.00 39.64 38.55 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 -1.80 0.19 0.00 6.28 1.13 -1.26 -0.91 117.38 121.01 2yrn n GLN 97 Ca -0.02 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2yrn n GLN 97 Cb 0.25 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2yrn n GLN 97 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2yrn n GLY 98 N 6.80 3.57 3.72 1.08 0.00 -1.26 -5.13 105.19 113.97 2yrn n GLY 98 Ca 0.58 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 2.96 -0.20 0.99 1.43 -0.09 -5.04 118.68 118.73 2yrn s LEU 99 Ca 0.00 2.03 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 2yrn s LEU 99 Cb 0.00 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.74 2yrn s LEU 99 CO 0.00 -2.56 0.08 -0.44 0.23 0.00 0.00 176.35 173.66 2yrn s SER 100 N -2.97 2.79 0.38 2.29 0.01 -1.26 -5.01 113.70 109.92 2yrn s SER 100 Ca 0.65 -0.83 0.15 0.00 1.31 0.00 0.00 55.95 57.23 2yrn s SER 100 Cb -0.20 -0.40 1.03 0.00 0.21 0.00 0.00 66.02 66.65 2yrn s SER 100 CO 0.56 -0.35 1.77 0.00 0.41 0.00 0.00 173.24 175.63 2yrn h ALA 101 N 8.35 2.09 0.01 1.44 0.00 -1.91 -0.30 119.26 128.94 2yrn h ALA 101 Ca -0.16 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2yrn h ALA 101 Cb 1.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2yrn h ALA 101 CO 0.34 -0.50 -0.00 1.49 0.00 0.00 0.00 179.25 180.57 2yrn h GLU 102 N 0.47 -0.01 -0.97 0.00 4.81 -1.95 -2.04 114.58 114.89 2yrn h GLU 102 Ca 0.59 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.92 2yrn h GLU 102 Cb 1.37 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.67 2yrn h GLU 102 CO -0.33 0.19 0.60 0.93 -0.73 0.00 0.00 179.01 179.67 2yrn h GLU 103 N -0.21 0.98 -0.42 1.92 4.39 -1.50 -1.78 114.58 117.96 2yrn h GLU 103 Ca -0.00 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2yrn h GLU 103 Cb 0.21 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2yrn h GLU 103 CO 0.00 0.65 0.15 0.82 -1.16 0.00 0.00 179.01 179.46 2yrn h ILE 104 N 1.01 1.21 -0.41 3.13 2.04 -1.19 -2.03 117.51 121.27 2yrn h ILE 104 Ca 0.46 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.70 2yrn h ILE 104 Cb 0.37 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2yrn h ILE 104 CO -0.23 0.24 0.28 -0.09 0.00 0.00 0.00 178.15 178.35 2yrn h ARG 105 N 0.54 0.26 0.00 2.37 2.43 -0.60 0.36 114.38 119.74 2yrn h ARG 105 Ca 0.14 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2yrn h ARG 105 Cb 0.24 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2yrn h ARG 105 CO -0.01 0.17 -0.38 -0.91 -1.51 0.00 0.00 179.97 177.33 2yrn h ASN 106 N 0.27 0.00 -0.09 -3.80 2.35 -1.00 -3.43 115.58 109.87 2yrn h ASN 106 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2yrn h ASN 106 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2yrn h ASN 106 CO -0.04 0.38 0.00 0.61 -1.65 0.00 0.00 177.43 176.73 2yrn n GLY 107 N 0.94 1.34 3.58 2.83 0.00 0.12 -4.97 105.19 109.03 2yrn n GLY 107 Ca 0.02 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 6.37 0.23 1.61 2.47 -0.81 -4.82 114.94 117.81 2yrn s ASN 108 Ca 0.00 0.20 -0.13 0.00 0.42 0.00 0.00 52.86 53.35 2yrn s ASN 108 Cb 0.00 -2.55 0.29 0.00 -1.45 0.00 0.00 41.25 37.54 2yrn s ASN 108 CO 0.00 -1.53 1.59 0.25 -3.72 0.00 0.00 177.10 173.69 2yrn h LEU 109 N 12.19 -0.88 -1.85 3.21 5.85 -1.96 0.99 115.31 132.86 2yrn h LEU 109 Ca -0.25 0.24 0.25 0.00 0.84 0.00 0.00 57.88 58.96 2yrn h LEU 109 Cb 1.07 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 2yrn h LEU 109 CO 1.18 -0.27 0.63 0.11 -0.34 0.00 0.00 178.44 179.74 2yrn h LYS 110 N -0.03 0.11 0.07 1.25 1.79 -1.98 0.12 116.57 117.90 2yrn h LYS 110 Ca 0.35 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.81 2yrn h LYS 110 Cb 0.58 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2yrn h LYS 110 CO -0.81 0.08 -0.03 0.00 -1.08 0.00 0.00 179.45 177.60 2yrn h ALA 111 N 1.57 -0.09 -0.01 3.86 0.00 0.61 -3.26 119.26 121.94 2yrn h ALA 111 Ca 0.44 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.36 2yrn h ALA 111 Cb 1.56 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 2yrn h ALA 111 CO -0.06 -0.09 -0.44 0.82 0.00 0.00 0.00 179.25 179.48 2yrn h ILE 112 N -0.98 0.13 -0.96 0.00 5.03 -0.74 -1.93 117.51 118.06 2yrn h ILE 112 Ca -0.01 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 64.93 2yrn h ILE 112 Cb 0.07 0.13 -0.18 0.00 -3.03 0.00 0.00 36.82 33.80 2yrn h ILE 112 CO 0.02 0.00 -0.21 -0.07 -0.68 0.00 0.00 178.15 177.20 2yrn h LEU 113 N -0.59 -0.85 -0.81 1.44 3.38 -0.96 0.63 115.31 117.55 2yrn h LEU 113 Ca 0.04 0.29 0.12 0.00 0.09 0.00 0.00 57.88 58.41 2yrn h LEU 113 Cb 0.67 0.58 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 2yrn h LEU 113 CO -0.33 -0.32 0.43 1.23 0.09 0.00 0.00 178.44 179.55 2yrn h GLY 114 N 0.00 1.28 0.81 0.83 0.00 -1.39 0.76 103.07 105.36 2yrn h GLY 114 Ca 0.47 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 2yrn h GLY 114 CO -0.98 0.05 -0.39 -2.00 0.00 0.00 0.00 176.54 173.23 2yrn h LEU 115 N 0.69 -0.91 -1.47 3.11 6.46 0.45 -2.32 115.31 121.31 2yrn h LEU 115 Ca 0.41 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 2yrn h LEU 115 Cb 0.48 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2yrn h LEU 115 CO -0.30 -0.55 0.00 -0.26 -0.62 0.00 0.00 178.44 176.71 2yrn h PHE 116 N -1.29 0.00 0.01 1.25 0.04 -1.10 0.77 116.94 116.63 2yrn h PHE 116 Ca -0.11 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.46 2yrn h PHE 116 Cb 0.83 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 2yrn h PHE 116 CO -0.00 0.00 -0.92 0.35 -0.60 0.00 0.00 178.31 177.14 2yrn h PHE 117 N 0.00 0.26 0.03 -0.55 3.04 0.80 -3.21 116.94 117.31 2yrn h PHE 117 Ca 0.00 -0.15 -0.36 0.00 3.98 0.00 0.00 57.97 61.44 2yrn h PHE 117 Cb 0.18 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 2yrn h PHE 117 CO 0.00 0.99 -2.00 0.43 -2.02 0.00 0.00 178.31 175.71 2yrn n SER 118 N -3.61 1.97 -0.21 0.41 7.64 -0.69 -4.29 113.62 114.83 2yrn n SER 118 Ca -0.03 0.26 -0.06 0.00 1.01 0.00 0.00 58.87 60.05 2yrn n SER 118 Cb 0.84 -0.81 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.60 -1.23 -0.88 -3.43 5.85 -1.03 0.16 115.31 114.16 2yrn h LEU 119 Ca -0.51 0.23 0.22 0.00 0.84 0.00 0.00 57.88 58.66 2yrn h LEU 119 Cb 1.65 0.60 -0.13 0.00 0.37 0.00 0.00 40.66 43.15 2yrn h LEU 119 CO -0.19 -0.31 0.33 0.77 -0.34 0.00 0.00 178.44 178.70 2yrn h SER 120 N -0.17 0.20 -0.24 1.25 4.64 -1.77 -0.40 113.55 117.06 2yrn h SER 120 Ca 0.22 0.17 0.06 0.00 -0.47 0.00 0.00 61.79 61.77 2yrn h SER 120 Cb 0.55 0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.75 2yrn h SER 120 CO -0.69 -0.06 -0.24 0.03 -0.87 0.00 0.00 176.83 175.01 2yrn h ARG 121 N 0.33 -0.24 -0.93 4.77 3.08 -0.86 0.56 114.38 121.09 2yrn h ARG 121 Ca 0.55 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.85 2yrn h ARG 121 Cb 1.06 0.05 -0.17 0.00 0.08 0.00 0.00 29.97 30.99 2yrn h ARG 121 CO -0.57 -0.16 0.01 -0.92 -1.07 0.00 0.00 179.97 177.26 2yrn h TYR 122 N -0.25 -0.07 0.15 3.04 5.03 -0.90 -0.81 116.97 123.16 2yrn h TYR 122 Ca 0.14 0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 2yrn h TYR 122 Cb 0.46 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.92 2yrn h TYR 122 CO -0.40 -0.38 -0.07 -0.22 -1.32 0.00 0.00 178.16 175.77 2yrn h LYS 123 N 0.04 -0.20 -6.19 1.82 1.63 -1.27 -3.37 116.57 109.03 2yrn h LYS 123 Ca 0.54 0.01 -0.72 0.00 -0.85 0.00 0.00 60.65 59.64 2yrn h LYS 123 Cb 1.06 0.05 0.04 0.00 -0.60 0.00 0.00 32.23 32.77 2yrn h LYS 123 CO -0.86 0.24 0.56 1.04 -3.45 0.00 0.00 179.45 176.98 2yrn n GLN 124 N -4.93 0.96 -4.02 1.90 3.00 0.09 -0.22 117.38 114.17 2yrn n GLN 124 Ca -0.08 0.35 -0.31 0.00 -0.01 0.00 0.00 57.00 56.95 2yrn n GLN 124 Cb 0.27 -1.98 0.00 0.00 0.00 0.00 0.00 30.24 28.53 2yrn n GLN 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2yrn n GLN 125 N 3.35 -4.38 -0.63 -1.09 6.02 -1.26 -4.80 117.38 114.58 2yrn n GLN 125 Ca 0.22 0.50 -0.04 0.00 -0.01 0.00 0.00 57.00 57.66 2yrn n GLN 125 Cb 0.15 -5.21 -0.02 0.00 1.02 0.00 0.00 30.24 26.18 2yrn n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yrn n GLN 126 N -4.52 1.26 -3.68 -1.09 -0.00 0.69 -4.73 117.38 105.31 2yrn n GLN 126 Ca -0.01 -0.37 -0.10 0.00 -0.00 0.00 0.00 57.00 56.52 2yrn n GLN 126 Cb 0.54 -1.23 -0.10 0.00 -0.00 0.00 0.00 30.24 29.46 2yrn n GLN 126 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2yrn s GLN 127 N -0.12 0.49 -0.10 2.61 -2.07 -1.26 -5.06 119.66 114.14 2yrn s GLN 127 Ca 0.14 0.87 0.03 0.00 -1.82 0.00 0.00 55.36 54.58 2yrn s GLN 127 Cb 0.08 0.05 0.01 0.00 -1.09 0.00 0.00 33.01 32.06 2yrn s GLN 127 CO -0.00 -0.14 -0.21 -1.14 -1.32 0.00 0.00 175.29 172.47 2yrn s GLN 128 N 1.29 2.73 0.00 9.60 -0.44 -1.26 -5.22 119.66 126.36 2yrn s GLN 128 Ca -0.08 -0.76 0.16 0.00 -2.50 0.00 0.00 55.36 52.17 2yrn s GLN 128 Cb -0.07 -2.12 0.93 0.00 -1.64 0.00 0.00 33.01 30.10 2yrn s GLN 128 CO -0.12 0.10 1.34 -0.35 0.50 0.00 0.00 175.29 176.75