#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 5.66 -0.09 1.61 0.15 -1.26 -5.06 113.70 114.71 2yrn s SER 2 Ca 0.00 -2.02 -0.30 0.00 0.70 0.00 0.00 55.95 54.33 2yrn s SER 2 Cb 0.00 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 2yrn s SER 2 CO 0.00 -0.65 1.40 -0.55 1.20 0.00 0.00 173.24 174.64 2yrn s SER 3 N 2.43 6.85 0.00 5.45 0.15 -1.26 -4.42 113.70 122.90 2yrn s SER 3 Ca 0.07 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2yrn s SER 3 Cb -0.25 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2yrn s SER 3 CO -0.02 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2yrn n GLY 4 N 3.75 0.29 3.59 9.45 0.00 -1.26 -5.09 105.19 115.92 2yrn n GLY 4 Ca 0.14 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 2yrn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrn s SER 5 N 0.00 6.56 0.21 1.61 1.04 -1.26 -4.97 113.70 116.89 2yrn s SER 5 Ca 0.00 0.33 -0.18 0.00 0.48 0.00 0.00 55.95 56.58 2yrn s SER 5 Cb 0.00 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.60 2yrn s SER 5 CO 0.00 -1.33 0.55 -0.94 0.98 0.00 0.00 173.24 172.50 2yrn s SER 6 N 2.63 -0.28 0.00 7.02 1.04 -1.26 -5.19 113.70 117.67 2yrn s SER 6 Ca 0.46 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2yrn s SER 6 Cb -0.07 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2yrn s SER 6 CO 0.30 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2yrn n GLY 7 N -0.36 4.77 3.61 7.32 0.00 -1.26 -5.18 105.19 114.09 2yrn n GLY 7 Ca -0.09 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 2yrn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yrn s LYS 8 N 0.64 2.06 -0.31 1.61 -0.14 -1.26 -5.06 119.74 117.28 2yrn s LYS 8 Ca 0.00 -1.69 0.09 0.00 -1.36 0.00 0.00 55.97 53.01 2yrn s LYS 8 Cb 0.00 -1.95 0.46 0.00 -1.68 0.00 0.00 37.83 34.67 2yrn s LYS 8 CO 0.00 0.21 1.16 -2.13 -0.76 0.00 0.00 175.35 173.83 2yrn n ARG 9 N -0.89 3.23 -3.78 1.68 0.63 -1.26 -5.03 116.66 111.24 2yrn n ARG 9 Ca -0.05 -4.09 -0.13 0.00 -0.92 0.00 0.00 57.85 52.66 2yrn n ARG 9 Cb 0.61 -2.14 -0.09 0.00 0.45 0.00 0.00 32.46 31.29 2yrn n ARG 9 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2yrn s LYS 10 N -3.61 0.59 -0.03 -0.14 -0.14 -1.26 -5.13 119.74 110.01 2yrn s LYS 10 Ca 0.46 -0.10 -0.30 0.00 -1.36 0.00 0.00 55.97 54.67 2yrn s LYS 10 Cb 0.40 0.26 -0.05 0.00 -1.68 0.00 0.00 37.83 36.76 2yrn s LYS 10 CO -0.00 -0.15 1.47 -1.25 -0.76 0.00 0.00 175.35 174.66 2yrn s PRO 11 N -1.06 4.24 0.08 -1.68 0.04 -1.26 -5.02 135.00 130.34 2yrn s PRO 11 Ca -0.11 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.01 2yrn s PRO 11 Cb -0.05 -3.72 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 2yrn s PRO 11 CO 0.03 -0.69 -0.19 0.08 0.04 0.00 0.00 177.00 176.27 2yrn s VAL 12 N 3.05 1.56 0.44 -0.36 1.01 -1.26 -5.03 120.40 119.81 2yrn s VAL 12 Ca 0.66 -1.40 0.16 0.00 0.00 0.00 0.00 61.98 61.40 2yrn s VAL 12 Cb -0.31 -1.42 0.35 0.00 0.00 0.00 0.00 36.38 35.00 2yrn s VAL 12 CO 0.26 -0.03 1.95 0.40 0.00 0.00 0.00 175.10 177.68 2yrn h ILE 13 N 4.20 0.83 -5.33 2.22 2.04 -2.06 -3.46 117.51 115.95 2yrn h ILE 13 Ca -0.44 -0.13 -0.30 0.00 1.00 0.00 0.00 64.86 64.99 2yrn h ILE 13 Cb 1.18 0.43 0.15 0.00 -0.74 0.00 0.00 36.82 37.84 2yrn h ILE 13 CO 0.41 0.07 -0.70 1.41 0.00 0.00 0.00 178.15 179.34 2yrn n HIS 14 N -4.46 -2.03 -0.89 1.37 8.25 -1.26 -4.94 115.22 111.26 2yrn n HIS 14 Ca 0.12 0.86 -0.35 0.00 -0.26 0.00 0.00 57.72 58.09 2yrn n HIS 14 Cb 0.47 -4.81 0.08 0.00 1.12 0.00 0.00 29.99 26.85 2yrn n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yrn n GLY 15 N -1.16 -3.17 0.34 -1.41 0.00 -1.26 -3.12 105.19 95.40 2yrn n GLY 15 Ca -0.25 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 1.38 -0.55 -0.32 0.99 4.77 -1.26 0.20 117.00 122.21 2yrn n LEU 16 Ca 0.00 1.54 0.06 0.00 -0.03 0.00 0.00 56.01 57.58 2yrn n LEU 16 Cb 0.63 -0.36 0.26 0.00 -2.33 0.00 0.00 43.42 41.62 2yrn n LEU 16 CO 0.49 -1.39 1.24 -0.33 -1.33 0.00 0.00 177.39 176.08 2yrn h GLU 17 N 0.00 0.94 -0.06 3.23 5.08 -2.02 -2.29 114.58 119.46 2yrn h GLU 17 Ca 0.32 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2yrn h GLU 17 Cb 0.54 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2yrn h GLU 17 CO -0.88 0.62 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.26 2yrn h ASP 18 N 0.97 0.15 -0.95 1.42 5.19 0.20 -3.16 116.42 120.24 2yrn h ASP 18 Ca 0.44 -0.48 0.25 0.00 -0.62 0.00 0.00 57.03 56.62 2yrn h ASP 18 Cb 0.38 -0.04 -0.13 0.00 0.18 0.00 0.00 39.33 39.71 2yrn h ASP 18 CO -0.20 0.60 0.49 1.56 -3.12 0.00 0.00 179.24 178.57 2yrn h GLN 19 N -0.29 0.43 -1.05 3.56 4.20 0.08 0.33 115.11 122.37 2yrn h GLN 19 Ca 0.01 -0.03 0.28 0.00 0.06 0.00 0.00 58.65 58.97 2yrn h GLN 19 Cb 0.55 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.13 2yrn h GLN 19 CO 0.01 0.29 0.67 -0.22 -0.67 0.00 0.00 178.83 178.91 2yrn h LYS 20 N 0.44 0.38 0.19 1.46 3.64 -1.42 -1.93 116.57 119.33 2yrn h LYS 20 Ca 0.62 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.97 2yrn h LYS 20 Cb 1.23 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2yrn h LYS 20 CO -0.53 0.25 -0.09 -0.09 -2.27 0.00 0.00 179.45 176.72 2yrn h ARG 21 N 0.39 -0.25 -1.13 1.90 2.43 -0.47 -2.78 114.38 114.47 2yrn h ARG 21 Ca 0.62 0.02 0.42 0.00 -0.81 0.00 0.00 59.98 60.23 2yrn h ARG 21 Cb 1.55 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 31.01 2yrn h ARG 21 CO -0.33 -0.10 0.68 -0.89 -1.51 0.00 0.00 179.97 177.83 2yrn n ILE 22 N -4.94 -0.30 -0.01 1.20 5.41 -0.84 0.41 119.36 120.28 2yrn n ILE 22 Ca -0.04 1.76 -0.12 0.00 1.00 0.00 0.00 62.75 65.35 2yrn n ILE 22 Cb 0.13 -2.87 -0.10 0.00 -0.71 0.00 0.00 39.64 36.10 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 -0.07 -0.91 1.39 0.05 -1.45 -3.10 116.97 112.88 2yrn h TYR 23 Ca 0.80 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.74 2yrn h TYR 23 Cb 2.40 0.02 -0.16 0.00 1.01 0.00 0.00 36.73 40.00 2yrn h TYR 23 CO -0.01 0.55 -0.34 1.15 -1.05 0.00 0.00 178.16 178.46 2yrn h THR 24 N -0.81 0.05 -0.57 -2.88 2.02 0.25 0.93 112.91 111.89 2yrn h THR 24 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2yrn h THR 24 Cb 0.64 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2yrn h THR 24 CO 0.01 0.00 0.34 -0.78 0.37 0.00 0.00 175.52 175.47 2yrn h ASP 25 N -0.03 0.68 -0.47 4.18 3.58 -1.52 0.30 116.42 123.14 2yrn h ASP 25 Ca 0.35 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.75 2yrn h ASP 25 Cb 0.61 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2yrn h ASP 25 CO -0.93 0.53 0.22 -0.25 -2.88 0.00 0.00 179.24 175.92 2yrn h TRP 26 N 0.79 0.68 0.03 0.28 7.01 0.89 -2.86 115.95 122.77 2yrn h TRP 26 Ca 0.21 -0.04 -0.27 0.00 2.11 0.00 0.00 58.89 60.90 2yrn h TRP 26 Cb -0.03 -0.21 0.02 0.00 -2.10 0.00 0.00 29.16 26.84 2yrn h TRP 26 CO 0.00 0.55 -1.09 0.00 -2.79 0.00 0.00 178.44 175.12 2yrn h ALA 27 N 1.06 0.13 -0.73 2.65 0.00 -0.58 -3.30 119.26 118.49 2yrn h ALA 27 Ca 0.16 -0.72 0.16 0.00 0.00 0.00 0.00 54.91 54.51 2yrn h ALA 27 Cb 0.14 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.86 2yrn h ALA 27 CO -0.02 0.71 0.04 -0.91 0.00 0.00 0.00 179.25 179.07 2yrn h ASN 28 N 0.34 -0.26 -0.09 0.00 -0.26 -0.32 -0.72 115.58 114.28 2yrn h ASN 28 Ca -0.14 0.18 0.04 0.00 -0.56 0.00 0.00 56.30 55.82 2yrn h ASN 28 Cb 1.74 0.31 -0.05 0.00 -1.06 0.00 0.00 38.32 39.26 2yrn h ASN 28 CO 0.21 -0.15 -0.25 -0.74 -1.06 0.00 0.00 177.43 175.45 2yrn h HIS 29 N 0.13 -0.66 0.00 1.19 2.76 -1.58 0.33 115.15 117.33 2yrn h HIS 29 Ca 0.40 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 2yrn h HIS 29 Cb 0.70 0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2yrn h HIS 29 CO -0.38 -0.33 0.10 1.88 -1.30 0.00 0.00 177.93 177.90 2yrn h TYR 30 N -0.33 0.00 0.04 5.26 0.05 -1.27 0.23 116.97 120.94 2yrn h TYR 30 Ca 0.09 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.62 2yrn h TYR 30 Cb 0.46 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 2yrn h TYR 30 CO -0.32 0.00 -1.33 -0.07 -1.05 0.00 0.00 178.16 175.38 2yrn h LEU 31 N 0.00 0.13 -1.02 3.88 3.38 -0.00 -3.31 115.31 118.37 2yrn h LEU 31 Ca 0.00 -0.67 -0.09 0.00 0.09 0.00 0.00 57.88 57.20 2yrn h LEU 31 Cb 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2yrn h LEU 31 CO 0.00 1.55 -0.33 0.00 0.09 0.00 0.00 178.44 179.75 2yrn h ALA 32 N -0.29 1.18 -0.68 1.53 0.00 0.23 0.38 119.26 121.60 2yrn h ALA 32 Ca -0.33 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 2yrn h ALA 32 Cb 1.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2yrn h ALA 32 CO -0.10 0.54 0.27 1.57 0.00 0.00 0.00 179.25 181.53 2yrn h LYS 33 N 0.25 1.01 -0.72 0.00 2.10 -0.75 -1.65 116.57 116.82 2yrn h LYS 33 Ca 0.03 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2yrn h LYS 33 Cb 0.71 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2yrn h LYS 33 CO 0.05 0.83 0.00 -1.13 -2.00 0.00 0.00 179.45 177.20 2yrn n SER 34 N -4.30 3.05 -2.92 7.07 3.41 -1.09 -4.90 113.62 113.93 2yrn n SER 34 Ca 0.06 -2.37 -0.10 0.00 -0.26 0.00 0.00 58.87 56.20 2yrn n SER 34 Cb 0.18 -0.53 0.05 0.00 -0.26 0.00 0.00 64.21 63.65 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrn n GLY 35 N 0.44 -0.85 2.96 5.00 0.00 -0.62 -4.99 105.19 107.13 2yrn n GLY 35 Ca 0.13 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.27 3.60 0.10 1.61 5.04 0.10 -4.98 115.29 117.49 2yrn s HIS 36 Ca 0.32 -3.23 -0.19 0.00 -1.54 0.00 0.00 55.06 50.42 2yrn s HIS 36 Cb -0.04 -2.86 -0.04 0.00 0.04 0.00 0.00 32.58 29.67 2yrn s HIS 36 CO 0.61 -0.62 1.04 1.63 -2.34 0.00 0.00 174.74 175.06 2yrn n LYS 37 N 2.24 -0.27 -0.81 2.88 5.02 -1.26 -4.44 118.16 121.51 2yrn n LYS 37 Ca 0.18 1.02 -0.34 0.00 -2.02 0.00 0.00 58.31 57.15 2yrn n LYS 37 Cb 0.35 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.97 2yrn n LYS 37 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2yrn n ARG 38 N -4.58 -0.53 -4.17 1.97 0.63 -1.26 -4.18 116.66 104.54 2yrn n ARG 38 Ca 0.01 -0.13 -0.15 0.00 -0.92 0.00 0.00 57.85 56.66 2yrn n ARG 38 Cb 0.16 -1.63 -0.07 0.00 0.45 0.00 0.00 32.46 31.37 2yrn n ARG 38 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2yrn s LEU 39 N 0.87 1.23 -0.35 6.15 1.43 -1.26 -4.82 118.68 121.93 2yrn s LEU 39 Ca 0.53 -1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 51.98 2yrn s LEU 39 Cb -0.17 0.94 -0.01 0.00 0.03 0.00 0.00 46.19 46.99 2yrn s LEU 39 CO 0.70 -1.10 0.32 -0.63 0.23 0.00 0.00 176.35 175.87 2yrn s ILE 40 N -3.52 5.21 -0.07 -0.59 1.01 -1.26 -4.95 121.20 117.03 2yrn s ILE 40 Ca 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2yrn s ILE 40 Cb 0.02 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2yrn s ILE 40 CO 0.20 -0.10 -0.03 0.03 0.00 0.00 0.00 174.94 175.04 2yrn h ARG 41 N 8.50 0.00 -4.55 2.79 2.47 -1.98 -3.44 114.38 118.16 2yrn h ARG 41 Ca -0.30 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 57.73 2yrn h ARG 41 Cb 1.15 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.11 2yrn h ARG 41 CO 0.68 0.00 -0.60 -0.51 0.56 0.00 0.00 179.97 180.10 2yrn s ASP 42 N -4.65 5.12 0.30 7.04 1.01 -1.26 -4.96 116.67 119.27 2yrn s ASP 42 Ca -0.03 -2.01 0.21 0.00 0.71 0.00 0.00 52.55 51.44 2yrn s ASP 42 Cb 0.00 -1.78 1.05 0.00 1.01 0.00 0.00 42.92 43.21 2yrn s ASP 42 CO 0.04 -0.49 1.13 -0.11 0.21 0.00 0.00 175.17 175.95 2yrn n LEU 43 N 4.52 0.18 -0.02 1.23 7.94 -1.26 0.23 117.00 129.81 2yrn n LEU 43 Ca -0.02 1.05 -0.12 0.00 -1.11 0.00 0.00 56.01 55.82 2yrn n LEU 43 Cb 0.42 -0.52 -0.06 0.00 0.53 0.00 0.00 43.42 43.79 2yrn n LEU 43 CO 0.30 -1.16 0.81 1.56 -1.11 0.00 0.00 177.39 177.80 2yrn h GLN 44 N 0.00 0.17 0.00 1.96 4.20 -1.93 -2.91 115.11 116.60 2yrn h GLN 44 Ca 0.63 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 59.20 2yrn h GLN 44 Cb 1.94 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.68 2yrn h GLN 44 CO -0.40 0.31 -0.48 1.96 -0.67 0.00 0.00 178.83 179.55 2yrn h GLN 45 N -0.00 0.00 0.00 1.46 1.08 0.25 -3.00 115.11 114.89 2yrn h GLN 45 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2yrn h GLN 45 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2yrn h GLN 45 CO -0.00 0.48 0.00 -3.47 -0.95 0.00 0.00 178.83 174.89 2yrn n ASP 46 N -3.39 0.21 -2.14 1.46 2.03 0.11 -2.38 116.55 112.45 2yrn n ASP 46 Ca 0.01 0.57 -0.10 0.00 0.52 0.00 0.00 54.79 55.79 2yrn n ASP 46 Cb 0.64 -0.61 0.05 0.00 -0.72 0.00 0.00 41.12 40.49 2yrn n ASP 46 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2yrn n VAL 47 N -1.75 1.81 -0.02 5.18 0.24 -1.13 -2.92 118.33 119.74 2yrn n VAL 47 Ca 0.02 -3.36 -0.13 0.00 -2.04 0.00 0.00 64.34 58.83 2yrn n VAL 47 Cb 0.14 0.05 -0.14 0.00 -1.47 0.00 0.00 33.84 32.41 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 -0.61 1.67 0.29 3.34 -2.24 -1.00 -4.07 114.28 111.67 2yrn n THR 48 Ca 0.24 -0.74 0.07 0.00 -2.27 0.00 0.00 64.05 61.35 2yrn n THR 48 Cb 0.89 -1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.20 1.25 0.00 3.42 5.75 -1.26 -4.50 116.55 118.01 2yrn n ASP 49 Ca -0.23 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 2yrn n ASP 49 Cb 1.05 1.35 0.00 0.00 -1.03 0.00 0.00 41.12 42.49 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 1.53 3.04 0.13 6.12 0.00 -1.26 -4.31 105.19 110.43 2yrn n GLY 50 Ca -0.00 0.00 -0.05 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 -0.65 1.61 2.07 -1.92 0.34 116.25 117.69 2yrn h VAL 51 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 2yrn h VAL 51 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2yrn h VAL 51 CO 0.00 0.00 0.44 0.25 0.02 0.00 0.00 177.57 178.28 2yrn h LEU 52 N -0.30 0.30 0.09 2.57 6.46 -1.90 -1.40 115.31 121.11 2yrn h LEU 52 Ca -0.03 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2yrn h LEU 52 Cb 0.24 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2yrn h LEU 52 CO 0.03 0.16 -0.04 0.25 -0.62 0.00 0.00 178.44 178.22 2yrn h LEU 53 N 0.32 -0.10 -1.37 2.25 5.85 -1.38 -2.87 115.31 118.01 2yrn h LEU 53 Ca 0.31 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2yrn h LEU 53 Cb 0.79 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2yrn h LEU 53 CO -0.08 0.08 0.05 0.00 -0.34 0.00 0.00 178.44 178.14 2yrn h ALA 54 N 0.63 1.50 -0.73 1.25 0.00 -0.07 -2.30 119.26 119.54 2yrn h ALA 54 Ca -0.01 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.96 2yrn h ALA 54 Cb 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2yrn h ALA 54 CO 0.02 0.37 0.75 1.96 0.00 0.00 0.00 179.25 182.35 2yrn h GLN 55 N 0.46 0.00 0.00 0.00 4.20 -1.05 -1.03 115.11 117.69 2yrn h GLN 55 Ca 0.11 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 2yrn h GLN 55 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2yrn h GLN 55 CO 0.00 0.00 -0.91 -0.89 -0.67 0.00 0.00 178.83 176.36 2yrn n ILE 56 N -3.62 1.46 -0.30 2.54 -0.00 -0.87 -4.11 119.36 114.46 2yrn n ILE 56 Ca 0.15 0.11 -0.04 0.00 -0.00 0.00 0.00 62.75 62.97 2yrn n ILE 56 Cb 1.01 -2.28 0.01 0.00 -0.00 0.00 0.00 39.64 38.38 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 -1.00 0.07 -0.98 1.39 2.04 -1.30 0.86 117.51 118.59 2yrn h ILE 57 Ca -0.12 0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.98 2yrn h ILE 57 Cb 0.85 0.07 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 2yrn h ILE 57 CO -0.07 0.00 0.65 1.56 0.00 0.00 0.00 178.15 180.28 2yrn h GLN 58 N -0.09 0.35 0.08 2.37 4.20 -1.37 0.57 115.11 121.21 2yrn h GLN 58 Ca 0.27 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2yrn h GLN 58 Cb 0.57 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2yrn h GLN 58 CO -0.84 0.23 -0.04 0.28 -0.67 0.00 0.00 178.83 177.79 2yrn h VAL 59 N 0.36 0.00 0.00 -0.54 2.07 0.46 0.49 116.25 119.09 2yrn h VAL 59 Ca 0.53 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2yrn h VAL 59 Cb 1.41 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2yrn h VAL 59 CO -0.21 0.00 0.28 1.62 0.02 0.00 0.00 177.57 179.28 2yrn h VAL 60 N -0.50 0.00 -0.00 2.57 3.04 -0.59 0.50 116.25 121.26 2yrn h VAL 60 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2yrn h VAL 60 Cb 0.08 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 2yrn h VAL 60 CO 0.02 0.00 -0.62 0.00 -1.01 0.00 0.00 177.57 175.95 2yrn n ALA 61 N -1.89 3.76 -3.87 3.17 0.00 0.20 -4.91 120.51 116.97 2yrn n ALA 61 Ca -0.02 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 2yrn n ALA 61 Cb 0.33 -0.52 0.03 0.00 0.00 0.00 0.00 19.45 19.28 2yrn n ALA 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2yrn n ASN 62 N -1.16 -5.03 -4.15 0.00 5.15 0.17 -4.97 115.26 105.28 2yrn n ASN 62 Ca 0.03 -0.74 -0.10 0.00 -0.60 0.00 0.00 54.58 53.17 2yrn n ASN 62 Cb 0.24 -4.00 -0.10 0.00 -0.53 0.00 0.00 39.78 35.38 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2yrn s GLU 63 N -6.58 0.93 -0.05 1.20 2.56 0.12 -5.00 118.70 111.87 2yrn s GLU 63 Ca 0.66 -1.44 0.05 0.00 0.00 0.00 0.00 54.97 54.24 2yrn s GLU 63 Cb -0.33 0.22 -0.02 0.00 2.00 0.00 0.00 34.13 36.00 2yrn s GLU 63 CO 0.81 -0.25 -0.19 0.21 -0.56 0.00 0.00 175.26 175.28 2yrn s LYS 64 N -4.04 2.53 -0.40 4.30 2.20 -1.26 -4.15 119.74 118.93 2yrn s LYS 64 Ca 0.24 -0.79 -0.14 0.00 -0.36 0.00 0.00 55.97 54.91 2yrn s LYS 64 Cb 0.07 -2.29 0.02 0.00 -1.51 0.00 0.00 37.83 34.13 2yrn s LYS 64 CO 0.02 0.51 0.28 0.42 -0.36 0.00 0.00 175.35 176.21 2yrn s ILE 65 N -0.44 5.15 -0.96 5.43 1.01 -1.26 -4.92 121.20 125.20 2yrn s ILE 65 Ca 0.05 -0.65 0.27 0.00 0.00 0.00 0.00 60.65 60.32 2yrn s ILE 65 Cb -0.12 -3.85 0.23 0.00 0.01 0.00 0.00 42.46 38.74 2yrn s ILE 65 CO 0.02 -0.27 1.86 -0.62 0.00 0.00 0.00 174.94 175.93 2yrn n GLU 66 N 5.13 0.03 -1.07 2.79 -0.58 -1.26 -3.52 120.64 122.16 2yrn n GLU 66 Ca -0.11 0.06 -0.24 0.00 -0.42 0.00 0.00 57.16 56.44 2yrn n GLU 66 Cb 0.47 -1.54 0.07 0.00 -0.57 0.00 0.00 31.44 29.87 2yrn n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2yrn n ASP 67 N -1.59 6.66 -4.16 1.62 8.00 -1.26 -4.85 116.55 120.97 2yrn n ASP 67 Ca 0.06 -3.38 -0.34 0.00 0.71 0.00 0.00 54.79 51.84 2yrn n ASP 67 Cb 0.33 -0.99 -0.14 0.00 -0.02 0.00 0.00 41.12 40.30 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 -3.36 2.83 0.27 0.53 -1.09 -1.23 -4.54 121.20 114.62 2yrn s ILE 68 Ca 0.46 -1.38 -0.06 0.00 -2.23 0.00 0.00 60.65 57.44 2yrn s ILE 68 Cb 0.37 -2.61 0.39 0.00 -1.58 0.00 0.00 42.46 39.03 2yrn s ILE 68 CO 0.00 -0.05 1.58 -1.13 -1.23 0.00 0.00 174.94 174.11 2yrn h ASN 69 N 7.96 -0.70 0.00 3.58 -1.24 -1.88 -3.45 115.58 119.84 2yrn h ASN 69 Ca -0.22 0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2yrn h ASN 69 Cb 1.06 0.52 0.00 0.00 0.73 0.00 0.00 38.32 40.64 2yrn h ASN 69 CO 0.53 -0.30 0.00 0.61 -1.29 0.00 0.00 177.43 176.98 2yrn n GLY 70 N -1.54 2.34 2.76 1.57 0.00 -1.26 -4.82 105.19 104.24 2yrn n GLY 70 Ca 0.16 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.62 4.43 0.00 0.00 0.04 -1.26 -4.93 135.00 132.67 2yrn s PRO 72 Ca 0.24 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2yrn s PRO 72 Cb -0.10 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2yrn s PRO 72 CO -0.11 -0.13 0.00 1.63 0.04 0.00 0.00 177.00 178.42 2yrn n LYS 73 N 1.74 1.77 -2.51 4.56 5.02 -1.26 -5.00 118.16 122.47 2yrn n LYS 73 Ca 0.03 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 2yrn n LYS 73 Cb 0.43 -0.88 0.04 0.00 -0.02 0.00 0.00 35.03 34.60 2yrn n LYS 73 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2yrn s ASN 74 N -3.05 5.18 0.39 4.39 -0.87 -1.26 -4.99 114.94 114.72 2yrn s ASN 74 Ca 0.00 0.19 0.19 0.00 -1.57 0.00 0.00 52.86 51.67 2yrn s ASN 74 Cb 0.00 -1.02 0.74 0.00 -0.02 0.00 0.00 41.25 40.95 2yrn s ASN 74 CO 0.00 -1.26 1.76 0.08 -2.57 0.00 0.00 177.10 175.12 2yrn h ARG 75 N -0.13 0.00 0.07 -0.60 0.11 -2.03 -3.19 114.38 108.62 2yrn h ARG 75 Ca -0.43 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.31 2yrn h ARG 75 Cb 1.30 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.35 2yrn h ARG 75 CO 0.55 0.35 -1.94 0.43 0.10 0.00 0.00 179.97 179.47 2yrn n SER 76 N -3.56 1.63 -0.17 0.08 7.64 -1.26 -4.06 113.62 113.92 2yrn n SER 76 Ca -0.00 0.26 0.29 0.00 1.01 0.00 0.00 58.87 60.42 2yrn n SER 76 Cb 0.48 -0.51 0.64 0.00 -1.01 0.00 0.00 64.21 63.81 2yrn n SER 76 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2yrn h GLN 77 N 0.04 0.00 0.04 1.43 4.20 -1.94 1.35 115.11 120.23 2yrn h GLN 77 Ca -0.39 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.07 2yrn h GLN 77 Cb 2.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.79 2yrn h GLN 77 CO 0.08 0.00 -1.21 0.52 -0.67 0.00 0.00 178.83 177.54 2yrn h MET 78 N 0.00 0.09 -0.27 1.46 2.86 -1.70 -3.33 114.93 114.04 2yrn h MET 78 Ca 0.44 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.98 2yrn h MET 78 Cb 2.25 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 33.91 2yrn h MET 78 CO -0.00 1.00 -0.12 0.82 1.06 0.00 0.00 176.91 179.67 2yrn h ILE 79 N 0.03 0.62 -0.36 -1.22 1.08 0.16 -2.18 117.51 115.64 2yrn h ILE 79 Ca -0.10 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.42 2yrn h ILE 79 Cb 1.88 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 36.20 2yrn h ILE 79 CO 0.14 0.00 0.07 -0.33 -0.69 0.00 0.00 178.15 177.35 2yrn h GLU 80 N -0.07 0.19 -0.06 2.37 5.08 -1.66 -1.37 114.58 119.06 2yrn h GLU 80 Ca 0.14 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2yrn h GLU 80 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2yrn h GLU 80 CO -0.32 0.13 -0.08 -0.91 -1.00 0.00 0.00 179.01 176.83 2yrn h ASN 81 N 0.20 -0.25 -0.92 1.42 4.21 -1.51 0.32 115.58 119.05 2yrn h ASN 81 Ca 0.17 0.03 0.18 0.00 1.21 0.00 0.00 56.30 57.89 2yrn h ASN 81 Cb 0.19 0.10 -0.08 0.00 -1.12 0.00 0.00 38.32 37.42 2yrn h ASN 81 CO -0.22 -0.05 0.59 0.40 -1.29 0.00 0.00 177.43 176.86 2yrn h ILE 82 N -0.05 0.74 -0.53 2.81 2.04 -1.42 -0.39 117.51 120.71 2yrn h ILE 82 Ca 0.01 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2yrn h ILE 82 Cb 0.08 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 2yrn h ILE 82 CO -0.08 0.11 0.32 -0.78 0.00 0.00 0.00 178.15 177.71 2yrn h ASP 83 N 0.58 0.63 -0.87 1.72 3.58 0.12 -2.03 116.42 120.14 2yrn h ASP 83 Ca 0.48 -0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.97 2yrn h ASP 83 Cb 0.96 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.78 2yrn h ASP 83 CO -0.23 0.49 0.53 0.00 -2.88 0.00 0.00 179.24 177.15 2yrn h ALA 84 N 1.16 1.24 -0.47 -0.78 0.00 0.13 -0.44 119.26 120.10 2yrn h ALA 84 Ca 0.19 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2yrn h ALA 84 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2yrn h ALA 84 CO -0.04 0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.42 2yrn h LEU 86 N 0.68 0.76 -0.25 0.00 3.38 -0.64 -0.50 115.31 118.73 2yrn h LEU 86 Ca 0.14 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 2yrn h LEU 86 Cb 0.48 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2yrn h LEU 86 CO 0.02 0.68 -0.73 0.78 0.09 0.00 0.00 178.44 179.28 2yrn h ASN 87 N 0.79 0.84 -0.63 -0.43 2.35 -1.00 -2.64 115.58 114.86 2yrn h ASN 87 Ca 0.20 -0.53 -0.04 0.00 -0.55 0.00 0.00 56.30 55.38 2yrn h ASN 87 Cb 0.12 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2yrn h ASN 87 CO -0.03 1.31 0.25 0.15 -1.65 0.00 0.00 177.43 177.46 2yrn h PHE 88 N 0.50 0.99 -0.03 1.19 3.04 -0.37 -2.92 116.94 119.34 2yrn h PHE 88 Ca -0.04 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 2yrn h PHE 88 Cb 1.34 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 39.55 2yrn h PHE 88 CO 0.07 0.77 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.05 2yrn h LEU 89 N 0.96 0.06 -0.80 0.59 3.38 -1.08 -3.17 115.31 115.26 2yrn h LEU 89 Ca 0.22 -0.43 0.19 0.00 0.09 0.00 0.00 57.88 57.96 2yrn h LEU 89 Cb 0.21 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.81 2yrn h LEU 89 CO -0.02 0.47 0.06 0.00 0.09 0.00 0.00 178.44 179.05 2yrn h ALA 90 N 0.59 0.91 -0.18 1.53 0.00 -1.34 0.75 119.26 121.53 2yrn h ALA 90 Ca 0.01 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2yrn h ALA 90 Cb 0.45 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2yrn h ALA 90 CO 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 179.25 178.94 2yrn h ALA 91 N 1.74 2.01 0.00 0.00 0.00 -1.50 0.96 119.26 122.46 2yrn h ALA 91 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2yrn h ALA 91 Cb 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2yrn h ALA 91 CO -0.67 -0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.17 2yrn n LYS 92 N -4.50 0.23 0.00 0.00 4.76 0.26 -4.88 118.16 114.02 2yrn n LYS 92 Ca 0.00 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 2yrn n LYS 92 Cb 0.16 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 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 0.74 1.10 3.20 0.72 0.00 0.33 -5.08 105.19 106.19 2yrn n GLY 93 Ca 0.04 0.00 -0.32 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 2.00 -0.32 -0.61 1.01 -1.15 -4.92 121.20 115.21 2yrn s ILE 94 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 2yrn s ILE 94 Cb 0.00 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 2yrn s ILE 94 CO 0.00 0.55 1.54 0.21 0.00 0.00 0.00 174.94 177.23 2yrn s ASN 95 N 0.42 6.30 -0.03 3.58 2.47 -1.26 -3.76 114.94 122.65 2yrn s ASN 95 Ca -0.17 1.21 0.13 0.00 0.42 0.00 0.00 52.86 54.44 2yrn s ASN 95 Cb -0.18 -2.53 -0.19 0.00 -1.45 0.00 0.00 41.25 36.90 2yrn s ASN 95 CO 0.07 -1.39 0.25 2.30 -3.72 0.00 0.00 177.10 174.61 2yrn n ILE 96 N 6.85 0.09 -1.70 -5.21 -5.35 -1.26 -4.94 119.36 107.83 2yrn n ILE 96 Ca 0.18 -0.32 -0.64 0.00 -0.27 0.00 0.00 62.75 61.71 2yrn n ILE 96 Cb 0.47 0.11 -0.09 0.00 -1.74 0.00 0.00 39.64 38.38 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 -2.00 0.39 0.00 6.28 6.02 -1.26 -1.31 117.38 125.50 2yrn n GLN 97 Ca -0.04 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2yrn n GLN 97 Cb 0.40 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 4.34 1.93 3.63 1.08 0.00 -1.26 -5.10 105.19 109.81 2yrn n GLY 98 Ca 0.31 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 1.22 -0.26 0.99 1.43 -0.43 -5.07 118.68 116.57 2yrn s LEU 99 Ca 0.00 1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 54.14 2yrn s LEU 99 Cb 0.00 -3.08 0.14 0.00 0.03 0.00 0.00 46.19 43.28 2yrn s LEU 99 CO 0.00 -3.53 0.37 -0.44 0.23 0.00 0.00 176.35 172.98 2yrn s SER 100 N -3.48 0.46 0.34 2.29 0.01 -1.26 -5.02 113.70 107.04 2yrn s SER 100 Ca 0.67 -0.06 0.15 0.00 1.31 0.00 0.00 55.95 58.02 2yrn s SER 100 Cb -0.17 1.03 1.12 0.00 0.21 0.00 0.00 66.02 68.22 2yrn s SER 100 CO 0.58 -0.33 1.63 0.00 0.41 0.00 0.00 173.24 175.54 2yrn h ALA 101 N 8.19 1.94 0.35 1.44 0.00 -1.91 0.18 119.26 129.44 2yrn h ALA 101 Ca -0.16 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2yrn h ALA 101 Cb 1.14 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2yrn h ALA 101 CO 0.28 -0.68 -0.17 1.49 0.00 0.00 0.00 179.25 180.17 2yrn h GLU 102 N 0.21 -0.46 -0.68 0.00 4.57 -1.95 -1.95 114.58 114.31 2yrn h GLU 102 Ca 0.75 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 59.06 2yrn h GLU 102 Cb 1.79 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 30.40 2yrn h GLU 102 CO -0.67 -0.30 0.30 0.93 -1.18 0.00 0.00 179.01 178.09 2yrn h GLU 103 N -0.49 0.48 -0.80 1.92 4.39 -1.10 -1.17 114.58 117.81 2yrn h GLU 103 Ca -0.05 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.67 2yrn h GLU 103 Cb 0.37 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2yrn h GLU 103 CO 0.08 0.32 0.50 0.82 -1.16 0.00 0.00 179.01 179.57 2yrn h ILE 104 N 0.50 1.08 -0.32 3.13 2.04 -1.10 -1.29 117.51 121.55 2yrn h ILE 104 Ca 0.34 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2yrn h ILE 104 Cb 0.42 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2yrn h ILE 104 CO -0.31 0.17 0.18 -0.09 0.00 0.00 0.00 178.15 178.10 2yrn h ARG 105 N 0.95 0.43 0.00 2.37 2.43 -0.44 -0.48 114.38 119.64 2yrn h ARG 105 Ca 0.33 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2yrn h ARG 105 Cb 0.08 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2yrn h ARG 105 CO -0.14 0.32 0.00 -0.91 -1.51 0.00 0.00 179.97 177.73 2yrn h ASN 106 N 0.44 0.00 -0.27 -3.80 2.35 -0.76 -3.43 115.58 110.11 2yrn h ASN 106 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2yrn h ASN 106 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2yrn h ASN 106 CO -0.02 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.37 2yrn n GLY 107 N 0.74 1.09 3.55 2.83 0.00 -0.19 -5.02 105.19 108.20 2yrn n GLY 107 Ca 0.03 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.46 6.03 0.08 1.61 3.84 -0.98 -4.89 114.94 118.17 2yrn s ASN 108 Ca 0.00 -0.32 -0.15 0.00 0.21 0.00 0.00 52.86 52.60 2yrn s ASN 108 Cb 0.00 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 38.11 2yrn s ASN 108 CO 0.00 -1.91 1.26 -0.11 -2.79 0.00 0.00 177.10 173.55 2yrn n LEU 109 N 9.86 -0.52 -0.51 3.21 7.94 -1.26 0.11 117.00 135.83 2yrn n LEU 109 Ca 0.06 1.38 0.41 0.00 -1.11 0.00 0.00 56.01 56.75 2yrn n LEU 109 Cb 0.49 -0.37 0.67 0.00 0.53 0.00 0.00 43.42 44.75 2yrn n LEU 109 CO 0.71 -0.96 1.21 0.29 -1.11 0.00 0.00 177.39 177.52 2yrn n LYS 110 N -4.10 -0.02 0.04 1.96 4.76 -1.26 -0.68 118.16 118.85 2yrn n LYS 110 Ca 0.01 1.11 -0.03 0.00 -2.87 0.00 0.00 58.31 56.54 2yrn n LYS 110 Cb 0.13 -2.30 -0.01 0.00 -1.84 0.00 0.00 35.03 31.01 2yrn n LYS 110 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yrn h ALA 111 N 1.31 -0.23 -0.26 7.82 0.00 0.40 -3.23 119.26 125.06 2yrn h ALA 111 Ca 0.83 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.75 2yrn h ALA 111 Cb 2.90 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 20.68 2yrn h ALA 111 CO -0.30 -0.22 -0.50 0.82 0.00 0.00 0.00 179.25 179.04 2yrn h ILE 112 N -0.74 0.05 -0.98 0.00 5.03 0.35 -0.81 117.51 120.40 2yrn h ILE 112 Ca -0.02 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 64.98 2yrn h ILE 112 Cb 0.13 0.05 -0.18 0.00 -3.03 0.00 0.00 36.82 33.79 2yrn h ILE 112 CO 0.03 0.00 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.40 2yrn h LEU 113 N -0.47 -0.57 -0.78 1.44 3.38 -1.09 0.71 115.31 117.93 2yrn h LEU 113 Ca 0.07 0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.41 2yrn h LEU 113 Cb 0.63 0.51 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2yrn h LEU 113 CO -0.50 -0.34 0.44 1.23 0.09 0.00 0.00 178.44 179.35 2yrn h GLY 114 N 0.01 1.19 0.84 0.83 0.00 -1.17 0.72 103.07 105.50 2yrn h GLY 114 Ca 0.57 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 2yrn h GLY 114 CO -0.94 0.13 -0.32 -2.00 0.00 0.00 0.00 176.54 173.42 2yrn h LEU 115 N 0.75 -0.76 -1.65 3.11 6.46 0.65 -2.29 115.31 121.58 2yrn h LEU 115 Ca 0.37 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 2yrn h LEU 115 Cb 0.32 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2yrn h LEU 115 CO -0.23 -0.44 0.00 -0.26 -0.62 0.00 0.00 178.44 176.89 2yrn h PHE 116 N -1.07 0.00 -0.11 1.25 0.04 -1.16 0.14 116.94 116.03 2yrn h PHE 116 Ca -0.09 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.48 2yrn h PHE 116 Cb 0.72 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.87 2yrn h PHE 116 CO -0.00 0.00 -0.75 0.35 -0.60 0.00 0.00 178.31 177.31 2yrn h PHE 117 N 0.00 0.74 0.03 -0.55 3.04 0.76 -3.16 116.94 117.80 2yrn h PHE 117 Ca 0.00 -0.33 -0.33 0.00 3.98 0.00 0.00 57.97 61.29 2yrn h PHE 117 Cb 0.28 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 2yrn h PHE 117 CO 0.00 1.11 -1.85 0.45 -2.02 0.00 0.00 178.31 176.01 2yrn n SER 118 N -3.87 1.96 -0.27 0.41 2.88 -0.89 -4.25 113.62 109.58 2yrn n SER 118 Ca -0.05 0.30 -0.02 0.00 -1.33 0.00 0.00 58.87 57.76 2yrn n SER 118 Cb 0.72 -0.85 0.04 0.00 -0.75 0.00 0.00 64.21 63.37 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2yrn h LEU 119 N -0.66 -1.13 -1.71 2.46 5.85 -0.88 0.83 115.31 120.07 2yrn h LEU 119 Ca -0.47 0.25 0.21 0.00 0.84 0.00 0.00 57.88 58.71 2yrn h LEU 119 Cb 1.60 0.60 -0.05 0.00 0.37 0.00 0.00 40.66 43.19 2yrn h LEU 119 CO -0.18 -0.29 0.57 0.77 -0.34 0.00 0.00 178.44 178.97 2yrn h SER 120 N -0.08 0.24 -0.07 1.25 4.64 -1.76 -0.80 113.55 116.97 2yrn h SER 120 Ca 0.30 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2yrn h SER 120 Cb 0.57 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2yrn h SER 120 CO -0.80 0.10 0.04 0.03 -0.87 0.00 0.00 176.83 175.33 2yrn h ARG 121 N 0.24 0.10 -0.87 4.77 3.08 0.51 -1.97 114.38 120.24 2yrn h ARG 121 Ca 0.42 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.58 2yrn h ARG 121 Cb 1.27 -0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.16 2yrn h ARG 121 CO -0.10 0.12 -0.45 -0.92 -1.07 0.00 0.00 179.97 177.55 2yrn h TYR 122 N 0.05 -1.32 -0.52 3.04 5.03 -0.90 0.17 116.97 122.53 2yrn h TYR 122 Ca 0.03 0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 2yrn h TYR 122 Cb 0.05 0.70 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 2yrn h TYR 122 CO -0.06 -0.40 0.21 -0.22 -1.32 0.00 0.00 178.16 176.37 2yrn h LYS 123 N -0.07 0.77 -7.41 1.82 1.63 -1.59 -3.40 116.57 108.33 2yrn h LYS 123 Ca 0.25 -0.14 -0.45 0.00 -0.85 0.00 0.00 60.65 59.47 2yrn h LYS 123 Cb 0.54 -0.12 0.16 0.00 -0.60 0.00 0.00 32.23 32.21 2yrn h LYS 123 CO -0.88 0.68 0.21 -0.65 -3.45 0.00 0.00 179.45 175.35 2yrn s GLN 124 N -5.55 0.20 -0.92 1.90 -1.52 0.59 -3.54 119.66 110.83 2yrn s GLN 124 Ca -0.13 0.32 -0.12 0.00 -1.95 0.00 0.00 55.36 53.48 2yrn s GLN 124 Cb 0.12 -1.73 0.12 0.00 -0.22 0.00 0.00 33.01 31.30 2yrn s GLN 124 CO 0.78 -2.84 0.29 1.04 -0.25 0.00 0.00 175.29 174.31 2yrn n GLN 125 N -4.22 -1.45 -1.81 2.91 1.13 -1.26 -4.74 117.38 107.93 2yrn n GLN 125 Ca 0.07 0.07 -0.33 0.00 -1.94 0.00 0.00 57.00 54.87 2yrn n GLN 125 Cb 0.58 -3.65 0.04 0.00 0.11 0.00 0.00 30.24 27.33 2yrn n GLN 125 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2yrn n GLN 126 N -2.80 3.00 -1.79 -1.09 0.00 -1.23 -4.57 117.38 108.90 2yrn n GLN 126 Ca 0.06 -3.72 -0.10 0.00 -0.00 0.00 0.00 57.00 53.24 2yrn n GLN 126 Cb 0.37 -2.28 0.07 0.00 0.00 0.00 0.00 30.24 28.40 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 -0.70 2.44 -3.40 3.69 -0.00 -1.26 -5.04 117.38 113.11 2yrn n GLN 127 Ca 0.53 -3.64 -0.39 0.00 -0.00 0.00 0.00 57.00 53.51 2yrn n GLN 127 Cb 0.59 -1.78 -0.08 0.00 -0.00 0.00 0.00 30.24 28.97 2yrn n GLN 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2yrn s GLN 128 N -3.22 4.09 0.00 2.61 0.74 -1.26 -5.30 119.66 117.33 2yrn s GLN 128 Ca 0.42 0.11 0.16 0.00 0.05 0.00 0.00 55.36 56.10 2yrn s GLN 128 Cb 0.38 -3.60 0.93 0.00 1.10 0.00 0.00 33.01 31.83 2yrn s GLN 128 CO -0.02 -0.16 1.35 -0.35 -0.55 0.00 0.00 175.29 175.56