#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 3.92 0.77 1.61 0.01 -1.26 -5.00 113.70 113.75 2yrn s SER 2 Ca 0.00 2.05 -0.11 0.00 1.31 0.00 0.00 55.95 59.21 2yrn s SER 2 Cb 0.00 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.73 2yrn s SER 2 CO 0.00 -2.44 1.08 -0.55 0.41 0.00 0.00 173.24 171.75 2yrn s SER 3 N -2.85 4.60 -0.20 2.44 0.15 -1.26 -5.07 113.70 111.51 2yrn s SER 3 Ca 0.66 1.73 -0.10 0.00 0.70 0.00 0.00 55.95 58.94 2yrn s SER 3 Cb -0.21 -2.47 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 2yrn s SER 3 CO 0.54 -1.96 0.47 -0.83 1.20 0.00 0.00 173.24 172.66 2yrn s GLY 4 N -3.50 -0.41 0.52 9.45 0.00 -1.26 -5.17 107.32 106.96 2yrn s GLY 4 Ca 0.61 1.73 -0.03 0.00 0.00 0.00 0.00 44.72 47.03 2yrn s GLY 4 CO 0.56 2.02 0.79 -1.35 0.00 0.00 0.00 173.10 175.12 2yrn s SER 5 N 1.74 5.71 -0.20 1.64 1.04 -1.26 -5.09 113.70 117.28 2yrn s SER 5 Ca -0.08 0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.87 2yrn s SER 5 Cb -0.09 -1.62 0.03 0.00 0.10 0.00 0.00 66.02 64.44 2yrn s SER 5 CO -0.14 -0.89 -0.17 -0.94 0.98 0.00 0.00 173.24 172.07 2yrn s SER 6 N -4.26 3.45 0.00 7.02 1.04 -1.26 -5.09 113.70 114.60 2yrn s SER 6 Ca 0.51 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2yrn s SER 6 Cb -0.10 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.51 2yrn s SER 6 CO 0.42 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2yrn n GLY 7 N 4.59 0.97 3.86 7.32 0.00 -1.26 -5.01 105.19 115.66 2yrn n GLY 7 Ca -0.19 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 3.23 0.14 1.61 1.02 -1.26 -5.10 119.74 119.38 2yrn s LYS 8 Ca 0.00 -0.50 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 2yrn s LYS 8 Cb 0.00 -2.94 -0.07 0.00 -0.52 0.00 0.00 37.83 34.30 2yrn s LYS 8 CO 0.00 0.61 0.53 1.03 -0.92 0.00 0.00 175.35 176.60 2yrn s ARG 9 N -2.29 3.94 0.01 1.68 3.00 -1.26 -5.09 118.95 118.95 2yrn s ARG 9 Ca 0.31 0.44 -0.21 0.00 0.00 0.00 0.00 55.73 56.26 2yrn s ARG 9 Cb -0.13 -2.93 0.05 0.00 0.00 0.00 0.00 34.95 31.94 2yrn s ARG 9 CO 0.23 0.48 0.48 -1.59 0.00 0.00 0.00 175.30 174.90 2yrn s LYS 10 N -1.98 0.93 0.28 3.54 0.00 -1.26 -5.15 119.74 116.09 2yrn s LYS 10 Ca 0.37 -0.15 -0.29 0.00 0.00 0.00 0.00 55.97 55.90 2yrn s LYS 10 Cb -0.15 0.42 -0.10 0.00 0.00 0.00 0.00 37.83 38.01 2yrn s LYS 10 CO 0.19 -0.31 1.25 -1.25 0.00 0.00 0.00 175.35 175.23 2yrn s PRO 11 N -1.92 4.45 0.01 1.78 0.04 -1.26 -5.05 135.00 133.04 2yrn s PRO 11 Ca -0.08 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2yrn s PRO 11 Cb -0.02 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 2yrn s PRO 11 CO 0.02 -0.09 -0.04 0.54 0.04 0.00 0.00 177.00 177.47 2yrn s VAL 12 N -0.82 0.27 0.13 -0.36 0.11 -1.26 -5.15 120.40 113.32 2yrn s VAL 12 Ca 0.50 -0.34 -0.18 0.00 -2.93 0.00 0.00 61.98 59.03 2yrn s VAL 12 Cb -0.37 -0.27 -0.07 0.00 -1.53 0.00 0.00 36.38 34.14 2yrn s VAL 12 CO 0.46 -0.05 0.59 -0.63 -3.33 0.00 0.00 175.10 172.14 2yrn s ILE 13 N -0.39 4.74 -0.81 7.04 -1.09 -1.26 -5.04 121.20 124.40 2yrn s ILE 13 Ca -0.02 1.10 -0.03 0.00 -2.23 0.00 0.00 60.65 59.47 2yrn s ILE 13 Cb -0.03 -3.84 0.20 0.00 -1.58 0.00 0.00 42.46 37.21 2yrn s ILE 13 CO -0.00 0.38 0.67 -1.00 -1.23 0.00 0.00 174.94 173.76 2yrn s HIS 14 N -1.31 3.73 1.00 3.97 3.76 -1.26 -5.05 115.29 120.13 2yrn s HIS 14 Ca 0.35 -2.88 -0.20 0.00 -0.15 0.00 0.00 55.06 52.18 2yrn s HIS 14 Cb -0.17 -3.26 -0.01 0.00 1.11 0.00 0.00 32.58 30.24 2yrn s HIS 14 CO 0.20 -0.78 -0.56 0.41 -0.85 0.00 0.00 174.74 173.15 2yrn n GLY 15 N 2.78 -2.55 0.44 -2.22 0.00 -1.26 -3.72 105.19 98.66 2yrn n GLY 15 Ca 0.17 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 2yrn n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yrn h LEU 16 N -1.76 -1.85 -1.68 0.99 3.38 -1.99 0.49 115.31 112.90 2yrn h LEU 16 Ca -0.38 0.26 0.12 0.00 0.09 0.00 0.00 57.88 57.97 2yrn h LEU 16 Cb 1.15 0.78 -0.04 0.00 0.09 0.00 0.00 40.66 42.64 2yrn h LEU 16 CO 0.24 -0.37 0.43 1.05 0.09 0.00 0.00 178.44 179.89 2yrn h GLU 17 N -0.31 0.34 -0.14 1.13 9.09 -1.99 0.10 114.58 122.80 2yrn h GLU 17 Ca 0.10 -0.02 -0.15 0.00 0.05 0.00 0.00 59.36 59.34 2yrn h GLU 17 Cb 0.56 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 2yrn h GLU 17 CO -0.67 0.22 -0.57 -0.44 0.05 0.00 0.00 179.01 177.61 2yrn h ASP 18 N 0.35 0.50 -0.58 3.06 3.32 -0.48 -3.18 116.42 119.40 2yrn h ASP 18 Ca 0.30 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2yrn h ASP 18 Cb 0.72 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 2yrn h ASP 18 CO -0.08 0.96 0.36 1.56 -1.72 0.00 0.00 179.24 180.32 2yrn h GLN 19 N 0.34 0.79 -0.99 3.56 4.20 0.17 -2.55 115.11 120.62 2yrn h GLN 19 Ca 0.00 -0.07 0.37 0.00 0.06 0.00 0.00 58.65 59.02 2yrn h GLN 19 Cb 1.09 -0.17 -0.17 0.00 0.30 0.00 0.00 27.48 28.53 2yrn h GLN 19 CO 0.10 0.56 0.49 -0.22 -0.67 0.00 0.00 178.83 179.09 2yrn h LYS 20 N 0.79 0.10 0.05 1.46 3.64 -1.47 0.32 116.57 121.47 2yrn h LYS 20 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2yrn h LYS 20 Cb -0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2yrn h LYS 20 CO -0.04 0.07 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.09 2yrn h ARG 21 N 0.11 -0.07 -0.75 1.90 9.65 -1.60 -1.65 114.38 121.97 2yrn h ARG 21 Ca 0.78 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.83 2yrn h ARG 21 Cb 1.95 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 30.43 2yrn h ARG 21 CO -0.73 0.35 0.17 0.82 2.80 0.00 0.00 179.97 183.38 2yrn h ILE 22 N -0.50 0.49 -0.23 1.20 2.04 -0.37 -0.88 117.51 119.26 2yrn h ILE 22 Ca -0.01 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 2yrn h ILE 22 Cb 0.45 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2yrn h ILE 22 CO 0.01 0.05 -0.11 1.88 0.00 0.00 0.00 178.15 179.98 2yrn h TYR 23 N 0.25 0.55 -0.75 1.37 0.05 -1.26 -2.94 116.97 114.24 2yrn h TYR 23 Ca 0.42 -0.13 0.14 0.00 0.05 0.00 0.00 58.73 59.21 2yrn h TYR 23 Cb 0.74 -0.13 -0.14 0.00 1.01 0.00 0.00 36.73 38.21 2yrn h TYR 23 CO -0.27 0.75 -0.25 1.15 -1.05 0.00 0.00 178.16 178.49 2yrn h THR 24 N 0.20 0.19 -0.59 -2.88 2.02 -0.17 0.19 112.91 111.87 2yrn h THR 24 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2yrn h THR 24 Cb 0.60 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2yrn h THR 24 CO 0.03 0.00 0.26 -0.78 0.37 0.00 0.00 175.52 175.40 2yrn h ASP 25 N -0.04 0.79 -0.24 4.18 3.58 -1.44 -0.62 116.42 122.63 2yrn h ASP 25 Ca 0.34 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.69 2yrn h ASP 25 Cb 0.57 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 2yrn h ASP 25 CO -0.79 0.72 -0.16 -0.25 -2.88 0.00 0.00 179.24 175.88 2yrn h TRP 26 N 0.80 -0.40 -0.49 0.28 7.01 -0.50 -1.92 115.95 120.72 2yrn h TRP 26 Ca 0.20 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.12 2yrn h TRP 26 Cb 0.16 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 2yrn h TRP 26 CO 0.00 -0.23 -0.13 0.00 -2.79 0.00 0.00 178.44 175.29 2yrn h ALA 27 N 1.00 0.84 -0.69 2.65 0.00 -1.01 -3.11 119.26 118.95 2yrn h ALA 27 Ca 0.13 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 54.84 2yrn h ALA 27 Cb 0.35 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.84 2yrn h ALA 27 CO -0.33 0.65 0.02 -0.91 0.00 0.00 0.00 179.25 178.68 2yrn h ASN 28 N 0.83 -0.28 -0.43 0.00 -0.26 -0.34 -1.01 115.58 114.09 2yrn h ASN 28 Ca 0.13 0.17 0.08 0.00 -0.56 0.00 0.00 56.30 56.12 2yrn h ASN 28 Cb 0.67 0.30 -0.09 0.00 -1.06 0.00 0.00 38.32 38.13 2yrn h ASN 28 CO 0.05 -0.14 -0.31 -0.74 -1.06 0.00 0.00 177.43 175.23 2yrn h HIS 29 N 0.12 -0.85 -0.16 1.19 2.76 -1.37 0.49 115.15 117.34 2yrn h HIS 29 Ca 0.37 0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.64 2yrn h HIS 29 Cb 0.62 0.44 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 2yrn h HIS 29 CO -0.38 -0.37 0.15 1.88 -1.30 0.00 0.00 177.93 177.90 2yrn h TYR 30 N -0.22 0.00 0.08 5.26 0.05 -1.32 0.75 116.97 121.57 2yrn h TYR 30 Ca 0.19 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.83 2yrn h TYR 30 Cb 0.53 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.28 2yrn h TYR 30 CO -0.54 0.00 -0.57 -0.07 -1.05 0.00 0.00 178.16 175.93 2yrn h LEU 31 N 0.00 0.37 -0.35 3.88 3.38 0.29 -3.06 115.31 119.82 2yrn h LEU 31 Ca 0.08 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 57.11 2yrn h LEU 31 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2yrn h LEU 31 CO -0.00 1.24 0.08 0.00 0.09 0.00 0.00 178.44 179.85 2yrn h ALA 32 N 0.13 0.46 -0.63 1.53 0.00 0.29 -0.34 119.26 120.70 2yrn h ALA 32 Ca -0.09 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2yrn h ALA 32 Cb 1.40 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2yrn h ALA 32 CO 0.11 0.13 0.41 1.57 0.00 0.00 0.00 179.25 181.47 2yrn h LYS 33 N 0.40 0.66 -1.07 0.00 2.10 -1.00 -0.86 116.57 116.79 2yrn h LYS 33 Ca 0.11 -0.04 -0.32 0.00 -2.00 0.00 0.00 60.65 58.39 2yrn h LYS 33 Cb 0.31 -0.15 -0.18 0.00 -0.90 0.00 0.00 32.23 31.31 2yrn h LYS 33 CO 0.00 0.44 0.41 0.45 -2.00 0.00 0.00 179.45 178.75 2yrn n SER 34 N -4.47 4.03 -3.58 7.07 2.88 -1.06 -4.90 113.62 113.59 2yrn n SER 34 Ca 0.08 -3.00 -0.18 0.00 -1.33 0.00 0.00 58.87 54.45 2yrn n SER 34 Cb 0.18 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 35 N -0.38 -1.28 2.50 0.46 0.00 -0.33 -4.96 105.19 101.20 2yrn n GLY 35 Ca 0.36 0.56 -0.27 0.00 0.00 0.00 0.00 46.02 46.67 2yrn n GLY 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2yrn n HIS 36 N -2.44 0.37 -0.18 1.61 -0.00 -0.16 -5.00 115.22 109.41 2yrn n HIS 36 Ca -0.22 -3.62 -0.05 0.00 -0.00 0.00 0.00 57.72 53.83 2yrn n HIS 36 Cb 0.63 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.99 30.53 2yrn n HIS 36 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2yrn n LYS 37 N 2.39 -0.19 -1.25 1.57 5.02 -1.26 -4.39 118.16 120.05 2yrn n LYS 37 Ca 0.27 0.93 -0.38 0.00 -2.02 0.00 0.00 58.31 57.10 2yrn n LYS 37 Cb 0.45 -1.37 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 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 -4.04 0.10 -4.29 1.97 0.63 -1.26 -4.97 116.66 104.80 2yrn n ARG 38 Ca 0.01 0.04 -0.15 0.00 -0.92 0.00 0.00 57.85 56.83 2yrn n ARG 38 Cb 0.11 -1.18 -0.10 0.00 0.45 0.00 0.00 32.46 31.74 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 4.28 1.53 -0.62 6.15 1.43 -1.26 -4.85 118.68 125.34 2yrn s LEU 39 Ca 0.57 -1.38 -0.25 0.00 -1.03 0.00 0.00 54.13 52.04 2yrn s LEU 39 Cb -0.43 0.10 0.05 0.00 0.03 0.00 0.00 46.19 45.93 2yrn s LEU 39 CO 0.66 -0.75 1.04 -0.63 0.23 0.00 0.00 176.35 176.89 2yrn s ILE 40 N -3.84 4.21 -0.12 -0.59 1.01 -1.26 -4.89 121.20 115.72 2yrn s ILE 40 Ca 0.38 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 61.14 2yrn s ILE 40 Cb 0.08 -4.67 -0.05 0.00 0.01 0.00 0.00 42.46 37.82 2yrn s ILE 40 CO 0.13 -1.37 0.07 0.03 0.00 0.00 0.00 174.94 173.80 2yrn h ARG 41 N 9.54 0.00 -4.57 2.79 2.47 -1.99 -3.44 114.38 119.18 2yrn h ARG 41 Ca -0.27 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.76 2yrn h ARG 41 Cb 1.07 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.03 2yrn h ARG 41 CO 1.16 0.20 -0.61 -0.51 0.56 0.00 0.00 179.97 180.76 2yrn s ASP 42 N -5.77 5.08 0.34 7.04 1.11 -1.26 -4.96 116.67 118.25 2yrn s ASP 42 Ca -0.08 -1.97 0.07 0.00 0.18 0.00 0.00 52.55 50.75 2yrn s ASP 42 Cb 0.00 -1.76 0.74 0.00 1.07 0.00 0.00 42.92 42.98 2yrn s ASP 42 CO 0.18 -0.46 1.87 0.25 1.18 0.00 0.00 175.17 178.19 2yrn h LEU 43 N 7.93 0.72 0.00 1.23 5.85 -1.90 1.38 115.31 130.52 2yrn h LEU 43 Ca -0.12 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2yrn h LEU 43 Cb 1.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2yrn h LEU 43 CO 0.63 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.12 2yrn n GLN 44 N -4.56 0.87 0.00 1.25 6.02 -1.26 -2.43 117.38 117.27 2yrn n GLN 44 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2yrn n GLN 44 Cb 0.41 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.38 2yrn n GLN 44 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2yrn n GLN 45 N -0.79 3.01 0.04 -1.09 1.13 0.18 -4.40 117.38 115.46 2yrn n GLN 45 Ca 0.12 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.17 2yrn n GLN 45 Cb 0.06 -0.72 -0.07 0.00 0.11 0.00 0.00 30.24 29.61 2yrn n GLN 45 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2yrn h ASP 46 N 0.00 0.00 0.71 1.08 3.32 0.16 -3.35 116.42 118.34 2yrn h ASP 46 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2yrn h ASP 46 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2yrn h ASP 46 CO 0.00 0.64 -1.39 1.33 -1.72 0.00 0.00 179.24 178.09 2yrn n VAL 47 N -2.99 1.09 -0.24 -1.35 0.24 -1.02 -3.48 118.33 110.59 2yrn n VAL 47 Ca -0.08 -0.67 0.04 0.00 -2.04 0.00 0.00 64.34 61.59 2yrn n VAL 47 Cb 0.85 -0.67 0.17 0.00 -1.47 0.00 0.00 33.84 32.72 2yrn n VAL 47 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2yrn h THR 48 N 0.00 0.64 0.00 3.34 1.35 -1.75 0.32 112.91 116.82 2yrn h THR 48 Ca -0.15 -0.13 -0.15 0.00 -0.55 0.00 0.00 66.41 65.43 2yrn h THR 48 Cb 1.51 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 2yrn h THR 48 CO 0.04 0.07 -0.71 0.44 -0.25 0.00 0.00 175.52 175.11 2yrn h ASP 49 N 0.39 0.00 0.00 5.36 5.19 -1.75 -3.42 116.42 122.19 2yrn h ASP 49 Ca 0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 2yrn h ASP 49 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2yrn h ASP 49 CO -0.41 0.71 0.00 0.61 -3.12 0.00 0.00 179.24 177.03 2yrn n GLY 50 N 0.55 2.84 0.31 2.75 0.00 0.10 -4.58 105.19 107.16 2yrn n GLY 50 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.82 1.61 2.07 -1.85 -1.22 116.25 116.04 2yrn h VAL 51 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 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 0.54 0.25 0.02 0.00 0.00 177.57 178.38 2yrn h LEU 52 N -0.77 0.90 -0.23 2.57 6.46 -1.89 -2.42 115.31 119.93 2yrn h LEU 52 Ca -0.07 -0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.72 2yrn h LEU 52 Cb 0.60 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 2yrn h LEU 52 CO 0.11 0.64 -0.07 0.25 -0.62 0.00 0.00 178.44 178.75 2yrn h LEU 53 N 1.06 -0.24 -0.29 2.25 5.85 -1.57 -2.53 115.31 119.85 2yrn h LEU 53 Ca 0.31 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2yrn h LEU 53 Cb -0.04 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2yrn h LEU 53 CO -0.08 -0.09 0.18 0.00 -0.34 0.00 0.00 178.44 178.11 2yrn h ALA 54 N 1.21 0.36 -1.17 1.25 0.00 -0.80 -2.54 119.26 117.57 2yrn h ALA 54 Ca 0.11 -0.04 0.41 0.00 0.00 0.00 0.00 54.91 55.40 2yrn h ALA 54 Cb 0.18 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 2yrn h ALA 54 CO -0.25 -0.15 0.74 1.04 0.00 0.00 0.00 179.25 180.64 2yrn n GLN 55 N -4.87 -0.03 -0.06 0.00 6.02 -0.95 0.73 117.38 118.22 2yrn n GLN 55 Ca -0.02 1.10 -0.15 0.00 -0.01 0.00 0.00 57.00 57.93 2yrn n GLN 55 Cb 0.04 -2.16 -0.13 0.00 1.02 0.00 0.00 30.24 29.01 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 1.72 0.46 5.09 5.03 -1.45 -3.31 117.51 125.05 2yrn h ILE 56 Ca 0.77 -2.36 -0.01 0.00 -0.12 0.00 0.00 64.86 63.13 2yrn h ILE 56 Cb 2.42 3.32 -0.02 0.00 -3.03 0.00 0.00 36.82 39.51 2yrn h ILE 56 CO -0.43 0.61 -0.49 0.40 -0.68 0.00 0.00 178.15 177.55 2yrn h ILE 57 N -0.93 0.00 -0.82 -0.67 2.04 0.45 0.87 117.51 118.45 2yrn h ILE 57 Ca -0.03 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.06 2yrn h ILE 57 Cb 1.09 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2yrn h ILE 57 CO 0.01 0.00 0.93 1.56 0.00 0.00 0.00 178.15 180.65 2yrn h GLN 58 N -0.96 0.00 0.00 2.37 4.20 -1.01 0.13 115.11 119.84 2yrn h GLN 58 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2yrn h GLN 58 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 2yrn h GLN 58 CO -0.08 0.00 -0.03 0.28 -0.67 0.00 0.00 178.83 178.33 2yrn h VAL 59 N 0.00 0.00 -0.49 -0.54 2.07 -1.24 0.12 116.25 116.17 2yrn h VAL 59 Ca 0.39 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.96 2yrn h VAL 59 Cb 2.25 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2yrn h VAL 59 CO -0.00 0.00 0.79 1.62 0.02 0.00 0.00 177.57 180.00 2yrn h VAL 60 N -0.10 0.11 0.00 2.57 3.04 -0.31 1.20 116.25 122.76 2yrn h VAL 60 Ca 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 2yrn h VAL 60 Cb 0.03 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 29.61 2yrn h VAL 60 CO 0.00 0.00 -2.08 0.00 -1.01 0.00 0.00 177.57 174.48 2yrn n ALA 61 N -2.08 2.47 -2.31 3.17 0.00 0.41 -4.94 120.51 117.23 2yrn n ALA 61 Ca 0.10 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 2yrn n ALA 61 Cb 0.96 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.37 -3.52 -3.94 0.00 5.15 0.41 -5.02 115.26 105.98 2yrn n ASN 62 Ca -0.11 -0.04 -0.23 0.00 -0.60 0.00 0.00 54.58 53.60 2yrn n ASN 62 Cb 0.71 -2.68 -0.08 0.00 -0.53 0.00 0.00 39.78 37.19 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 -4.66 1.83 -0.02 1.20 2.12 0.28 -4.99 118.70 114.46 2yrn s GLU 63 Ca 0.04 -2.09 0.05 0.00 0.36 0.00 0.00 54.97 53.33 2yrn s GLU 63 Cb -0.02 -0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 2yrn s GLU 63 CO 0.05 -0.51 -0.18 0.21 -0.54 0.00 0.00 175.26 174.29 2yrn s LYS 64 N -3.68 1.56 -0.34 4.30 2.20 -1.26 -4.29 119.74 118.24 2yrn s LYS 64 Ca 0.30 -0.63 -0.13 0.00 -0.36 0.00 0.00 55.97 55.15 2yrn s LYS 64 Cb 0.03 -1.45 -0.02 0.00 -1.51 0.00 0.00 37.83 34.88 2yrn s LYS 64 CO 0.18 0.34 0.25 0.42 -0.36 0.00 0.00 175.35 176.18 2yrn s ILE 65 N -0.28 5.28 -0.19 5.43 1.01 -1.26 -4.94 121.20 126.25 2yrn s ILE 65 Ca 0.04 -0.16 0.19 0.00 0.00 0.00 0.00 60.65 60.72 2yrn s ILE 65 Cb -0.08 -3.71 0.18 0.00 0.01 0.00 0.00 42.46 38.85 2yrn s ILE 65 CO 0.00 0.00 1.56 -0.33 0.00 0.00 0.00 174.94 176.18 2yrn h GLU 66 N 8.48 0.00 -1.86 2.79 5.08 -1.99 -3.29 114.58 123.79 2yrn h GLU 66 Ca -0.31 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.88 2yrn h GLU 66 Cb 1.16 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 2yrn h GLU 66 CO 0.63 0.30 0.10 -0.25 -1.00 0.00 0.00 179.01 178.79 2yrn n ASP 67 N -3.21 5.77 -4.15 1.42 8.00 -1.26 -4.80 116.55 118.32 2yrn n ASP 67 Ca 0.02 -2.68 -0.34 0.00 0.71 0.00 0.00 54.79 52.50 2yrn n ASP 67 Cb 0.62 -1.16 -0.15 0.00 -0.02 0.00 0.00 41.12 40.41 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2yrn s ILE 68 N -0.73 2.63 0.12 0.53 -1.09 -1.24 -4.49 121.20 116.93 2yrn s ILE 68 Ca 0.24 -1.25 -0.27 0.00 -2.23 0.00 0.00 60.65 57.14 2yrn s ILE 68 Cb 0.15 -2.41 -0.06 0.00 -1.58 0.00 0.00 42.46 38.56 2yrn s ILE 68 CO -0.02 0.11 1.63 -1.13 -1.23 0.00 0.00 174.94 174.30 2yrn h ASN 69 N 7.94 -0.81 0.00 3.58 -1.24 -1.90 -3.47 115.58 119.68 2yrn h ASN 69 Ca -0.28 0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.83 2yrn h ASN 69 Cb 1.08 0.32 0.00 0.00 0.73 0.00 0.00 38.32 40.46 2yrn h ASN 69 CO 0.54 -0.35 0.00 0.61 -1.29 0.00 0.00 177.43 176.94 2yrn n GLY 70 N -1.39 2.62 2.86 1.57 0.00 -1.26 -4.86 105.19 104.72 2yrn n GLY 70 Ca -0.06 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 2yrn n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrn s PRO 72 N -1.73 4.35 0.00 0.00 0.04 -1.26 -4.89 135.00 131.50 2yrn s PRO 72 Ca 0.29 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2yrn s PRO 72 Cb -0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2yrn s PRO 72 CO -0.11 -0.37 0.00 1.63 0.04 0.00 0.00 177.00 178.18 2yrn n LYS 73 N 3.62 0.00 -1.41 4.56 5.02 -1.26 -4.91 118.16 123.78 2yrn n LYS 73 Ca 0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 2yrn n LYS 73 Cb 0.43 -0.26 0.15 0.00 -0.02 0.00 0.00 35.03 35.33 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 -4.99 3.08 0.06 4.39 -0.87 -1.26 -4.95 114.94 110.40 2yrn s ASN 74 Ca 0.00 0.99 -0.28 0.00 -1.57 0.00 0.00 52.86 52.00 2yrn s ASN 74 Cb 0.00 -1.56 -0.17 0.00 -0.02 0.00 0.00 41.25 39.49 2yrn s ASN 74 CO 0.00 -2.82 1.57 -0.09 -2.57 0.00 0.00 177.10 173.18 2yrn h ARG 75 N -1.68 -0.49 -0.39 -0.60 2.43 -2.02 -3.07 114.38 108.56 2yrn h ARG 75 Ca -0.52 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.57 2yrn h ARG 75 Cb 1.33 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 2yrn h ARG 75 CO 0.59 -0.27 -0.24 1.03 -1.51 0.00 0.00 179.97 179.57 2yrn h SER 76 N -0.59 0.81 -0.98 -3.80 0.87 -2.00 -3.16 113.55 104.69 2yrn h SER 76 Ca -0.05 -0.30 0.23 0.00 -1.23 0.00 0.00 61.79 60.44 2yrn h SER 76 Cb 0.44 -0.22 -0.18 0.00 -0.44 0.00 0.00 62.40 61.99 2yrn h SER 76 CO 0.08 1.01 -0.13 0.00 -0.53 0.00 0.00 176.83 177.27 2yrn n GLN 77 N -4.10 -0.08 -0.11 2.24 1.13 -1.16 0.15 117.38 115.44 2yrn n GLN 77 Ca -0.00 1.50 -0.07 0.00 -1.94 0.00 0.00 57.00 56.49 2yrn n GLN 77 Cb 0.45 -2.31 0.10 0.00 0.11 0.00 0.00 30.24 28.59 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 0.81 -0.34 -1.09 2.86 -1.54 -3.14 114.93 112.48 2yrn h MET 78 Ca 0.53 -0.29 0.08 0.00 -2.06 0.00 0.00 59.70 57.95 2yrn h MET 78 Cb 0.94 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.46 2yrn h MET 78 CO -0.97 0.90 -0.23 0.82 1.06 0.00 0.00 176.91 178.50 2yrn h ILE 79 N 0.73 0.39 -0.54 -1.22 1.08 0.13 -1.45 117.51 116.63 2yrn h ILE 79 Ca 0.12 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.69 2yrn h ILE 79 Cb 0.64 0.39 -0.08 0.00 -3.07 0.00 0.00 36.82 34.69 2yrn h ILE 79 CO 0.04 0.00 0.07 -0.33 -0.69 0.00 0.00 178.15 177.24 2yrn h GLU 80 N -0.18 0.19 -0.22 2.37 5.08 -1.38 0.17 114.58 120.61 2yrn h GLU 80 Ca 0.17 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2yrn h GLU 80 Cb 0.45 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2yrn h GLU 80 CO -0.45 0.12 -0.27 -0.91 -1.00 0.00 0.00 179.01 176.50 2yrn h ASN 81 N 0.19 -0.91 -0.43 1.42 4.21 -1.29 0.24 115.58 119.00 2yrn h ASN 81 Ca 0.28 0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.91 2yrn h ASN 81 Cb 0.41 0.37 -0.02 0.00 -1.12 0.00 0.00 38.32 37.96 2yrn h ASN 81 CO -0.40 -0.19 0.26 0.40 -1.29 0.00 0.00 177.43 176.22 2yrn h ILE 82 N -0.17 1.14 -0.66 2.81 2.04 -1.30 -2.80 117.51 118.57 2yrn h ILE 82 Ca 0.04 -0.31 0.14 0.00 1.00 0.00 0.00 64.86 65.73 2yrn h ILE 82 Cb 0.28 0.56 -0.12 0.00 -0.74 0.00 0.00 36.82 36.80 2yrn h ILE 82 CO -0.30 0.14 -0.03 -0.78 0.00 0.00 0.00 178.15 177.18 2yrn h ASP 83 N 0.58 -0.36 -0.74 1.72 3.58 0.06 0.88 116.42 122.13 2yrn h ASP 83 Ca 0.16 0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.87 2yrn h ASP 83 Cb -0.01 0.32 -0.07 0.00 1.72 0.00 0.00 39.33 41.29 2yrn h ASP 83 CO -0.03 -0.15 0.39 0.00 -2.88 0.00 0.00 179.24 176.56 2yrn h ALA 84 N 1.62 1.03 -0.63 -0.78 0.00 -0.29 -0.43 119.26 119.78 2yrn h ALA 84 Ca 0.34 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2yrn h ALA 84 Cb 0.57 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2yrn h ALA 84 CO -0.59 -0.01 0.36 0.00 0.00 0.00 0.00 179.25 179.00 2yrn h LEU 86 N 0.86 -0.27 -0.92 0.00 3.38 -0.37 0.17 115.31 118.16 2yrn h LEU 86 Ca 0.22 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2yrn h LEU 86 Cb 0.02 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2yrn h LEU 86 CO -0.04 -0.05 0.13 0.78 0.09 0.00 0.00 178.44 179.36 2yrn h ASN 87 N -0.49 0.87 -0.40 -0.43 2.35 -1.01 -0.22 115.58 116.26 2yrn h ASN 87 Ca -0.03 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.43 2yrn h ASN 87 Cb 0.37 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2yrn h ASN 87 CO 0.05 0.86 -0.18 0.15 -1.65 0.00 0.00 177.43 176.66 2yrn h PHE 88 N 0.89 1.01 -0.23 1.19 3.57 -0.03 -3.04 116.94 120.30 2yrn h PHE 88 Ca 0.19 -0.22 -0.15 0.00 3.53 0.00 0.00 57.97 61.32 2yrn h PHE 88 Cb 0.33 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2yrn h PHE 88 CO 0.02 0.99 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.59 2yrn h LEU 89 N 0.78 0.77 -0.51 0.59 3.38 -0.36 -3.25 115.31 116.71 2yrn h LEU 89 Ca 0.11 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.64 2yrn h LEU 89 Cb 0.72 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 2yrn h LEU 89 CO 0.06 1.17 -0.12 0.00 0.09 0.00 0.00 178.44 179.64 2yrn h ALA 90 N 0.62 0.35 -0.78 1.53 0.00 -0.98 0.25 119.26 120.25 2yrn h ALA 90 Ca 0.01 0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.34 2yrn h ALA 90 Cb 1.04 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2yrn h ALA 90 CO 0.10 -0.44 0.56 0.00 0.00 0.00 0.00 179.25 179.47 2yrn h ALA 91 N 1.51 2.73 0.00 0.00 0.00 -1.56 0.65 119.26 122.58 2yrn h ALA 91 Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2yrn h ALA 91 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2yrn h ALA 91 CO -0.52 -0.95 -0.23 0.87 0.00 0.00 0.00 179.25 178.42 2yrn h LYS 92 N 0.01 0.00 0.00 0.00 1.79 -0.60 -3.46 116.57 114.31 2yrn h LYS 92 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2yrn h LYS 92 Cb 1.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.13 2yrn h LYS 92 CO -0.01 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 179.00 2yrn n GLY 93 N 0.55 1.53 3.35 3.86 0.00 0.23 -5.13 105.19 109.58 2yrn n GLY 93 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 2.44 -0.16 -0.61 1.01 -1.16 -5.00 121.20 115.72 2yrn s ILE 94 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 2yrn s ILE 94 Cb 0.00 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 2yrn s ILE 94 CO 0.00 0.57 1.35 0.21 0.00 0.00 0.00 174.94 177.07 2yrn s ASN 95 N -0.38 6.85 -0.02 3.58 3.84 -1.26 -3.89 114.94 123.65 2yrn s ASN 95 Ca 0.03 1.74 0.02 0.00 0.21 0.00 0.00 52.86 54.86 2yrn s ASN 95 Cb -0.12 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.01 2yrn s ASN 95 CO 0.02 -0.84 0.01 2.30 -2.79 0.00 0.00 177.10 175.80 2yrn n ILE 96 N 5.51 0.15 -0.31 -5.21 -5.35 -1.26 -4.73 119.36 108.16 2yrn n ILE 96 Ca 0.15 -0.10 0.04 0.00 -0.27 0.00 0.00 62.75 62.57 2yrn n ILE 96 Cb 0.45 -0.77 0.10 0.00 -1.74 0.00 0.00 39.64 37.68 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 -2.03 -0.10 -0.22 6.28 1.13 -1.26 0.12 117.38 121.29 2yrn n GLN 97 Ca -0.04 1.33 -0.03 0.00 -1.94 0.00 0.00 57.00 56.32 2yrn n GLN 97 Cb 0.52 -1.98 0.08 0.00 0.11 0.00 0.00 30.24 28.96 2yrn n GLN 97 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2yrn h GLY 98 N 0.00 0.91 -1.03 1.08 0.00 -2.00 -3.43 103.07 98.60 2yrn h GLY 98 Ca 0.38 -0.26 -0.41 0.00 0.00 0.00 0.00 47.33 47.05 2yrn h GLY 98 CO -0.87 0.18 -0.08 1.08 0.00 0.00 0.00 176.54 176.85 2yrn s LEU 99 N -10.24 -0.34 -0.20 3.11 1.43 0.31 -5.06 118.68 107.70 2yrn s LEU 99 Ca -0.13 1.17 -0.05 0.00 -1.03 0.00 0.00 54.13 54.08 2yrn s LEU 99 Cb 0.15 -2.79 0.10 0.00 0.03 0.00 0.00 46.19 43.68 2yrn s LEU 99 CO 0.75 -4.93 0.39 -0.44 0.23 0.00 0.00 176.35 172.35 2yrn s SER 100 N -2.79 -0.06 0.12 2.29 0.01 -1.26 -5.03 113.70 106.98 2yrn s SER 100 Ca 0.69 0.74 -0.21 0.00 1.31 0.00 0.00 55.95 58.47 2yrn s SER 100 Cb -0.19 1.22 -0.06 0.00 0.21 0.00 0.00 66.02 67.20 2yrn s SER 100 CO 0.62 -0.25 1.72 0.00 0.41 0.00 0.00 173.24 175.73 2yrn h ALA 101 N 8.19 0.11 -1.01 1.44 0.00 -1.94 -0.63 119.26 125.42 2yrn h ALA 101 Ca -0.17 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2yrn h ALA 101 Cb 1.12 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2yrn h ALA 101 CO 0.16 -0.47 0.64 1.49 0.00 0.00 0.00 179.25 181.08 2yrn h GLU 102 N 0.02 1.08 -0.07 0.00 4.57 -1.96 -1.23 114.58 116.99 2yrn h GLU 102 Ca 0.07 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2yrn h GLU 102 Cb 0.09 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2yrn h GLU 102 CO -0.13 0.71 0.00 0.93 -1.18 0.00 0.00 179.01 179.35 2yrn h GLU 103 N 1.11 0.12 -0.70 1.92 4.39 -1.83 -2.63 114.58 116.96 2yrn h GLU 103 Ca 0.46 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 60.20 2yrn h GLU 103 Cb 0.30 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 2yrn h GLU 103 CO -0.21 0.37 0.38 0.82 -1.16 0.00 0.00 179.01 179.21 2yrn h ILE 104 N -0.15 0.92 -0.48 3.13 2.04 -0.59 -0.91 117.51 121.47 2yrn h ILE 104 Ca 0.02 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 2yrn h ILE 104 Cb 0.31 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2yrn h ILE 104 CO 0.00 0.12 0.29 -0.09 0.00 0.00 0.00 178.15 178.47 2yrn h ARG 105 N 0.67 0.64 0.00 2.37 2.43 -1.17 -1.10 114.38 118.22 2yrn h ARG 105 Ca 0.33 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2yrn h ARG 105 Cb 0.27 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2yrn h ARG 105 CO -0.22 0.45 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.49 2yrn h ASN 106 N 0.65 0.00 0.00 -3.80 2.35 -0.80 -3.44 115.58 110.54 2yrn h ASN 106 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2yrn h ASN 106 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2yrn h ASN 106 CO -0.03 0.28 0.00 0.61 -1.65 0.00 0.00 177.43 176.64 2yrn n GLY 107 N -0.22 1.48 3.57 2.83 0.00 -0.42 -5.03 105.19 107.39 2yrn n GLY 107 Ca -0.01 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.08 5.89 0.24 1.61 2.47 -1.13 -4.88 114.94 117.05 2yrn s ASN 108 Ca 0.00 0.34 -0.15 0.00 0.42 0.00 0.00 52.86 53.47 2yrn s ASN 108 Cb 0.00 -2.54 0.30 0.00 -1.45 0.00 0.00 41.25 37.56 2yrn s ASN 108 CO 0.00 -1.89 1.55 -0.11 -3.72 0.00 0.00 177.10 172.93 2yrn n LEU 109 N 10.45 -0.56 -0.35 3.21 7.94 -1.26 0.12 117.00 136.54 2yrn n LEU 109 Ca 0.15 1.74 0.28 0.00 -1.11 0.00 0.00 56.01 57.06 2yrn n LEU 109 Cb 0.50 -0.43 0.53 0.00 0.53 0.00 0.00 43.42 44.54 2yrn n LEU 109 CO 0.71 -1.59 1.14 0.11 -1.11 0.00 0.00 177.39 176.65 2yrn h LYS 110 N 0.00 0.23 0.33 1.96 1.79 -1.98 0.14 116.57 119.03 2yrn h LYS 110 Ca 0.39 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.83 2yrn h LYS 110 Cb 0.64 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2yrn h LYS 110 CO -1.00 0.15 -0.16 0.00 -1.08 0.00 0.00 179.45 177.36 2yrn h ALA 111 N 1.80 -0.48 -0.39 3.86 0.00 0.62 -2.76 119.26 121.91 2yrn h ALA 111 Ca 0.76 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.64 2yrn h ALA 111 Cb 1.93 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.80 2yrn h ALA 111 CO -0.57 -0.45 -0.46 0.82 0.00 0.00 0.00 179.25 178.60 2yrn h ILE 112 N -1.00 0.09 -0.59 0.00 5.03 -0.69 -0.50 117.51 119.84 2yrn h ILE 112 Ca -0.04 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.82 2yrn h ILE 112 Cb 0.34 0.09 -0.10 0.00 -3.03 0.00 0.00 36.82 34.11 2yrn h ILE 112 CO 0.07 0.00 0.01 -0.07 -0.68 0.00 0.00 178.15 177.48 2yrn h LEU 113 N -0.36 -0.24 -0.87 1.44 3.38 -0.92 -0.39 115.31 117.36 2yrn h LEU 113 Ca 0.12 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.30 2yrn h LEU 113 Cb 0.59 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 2yrn h LEU 113 CO -0.57 -0.10 0.53 1.23 0.09 0.00 0.00 178.44 179.63 2yrn h GLY 114 N 0.13 1.31 0.77 0.83 0.00 -0.85 0.62 103.07 105.88 2yrn h GLY 114 Ca 0.31 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2yrn h GLY 114 CO -0.50 0.25 -0.40 -2.00 0.00 0.00 0.00 176.54 173.90 2yrn h LEU 115 N 0.96 -0.96 -1.92 3.11 6.46 0.39 -1.74 115.31 121.61 2yrn h LEU 115 Ca 0.38 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.16 2yrn h LEU 115 Cb 0.20 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2yrn h LEU 115 CO -0.18 -0.65 -0.11 -0.26 -0.62 0.00 0.00 178.44 176.62 2yrn h PHE 116 N -1.07 0.00 -0.41 1.25 0.04 -1.28 0.24 116.94 115.71 2yrn h PHE 116 Ca -0.11 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 2yrn h PHE 116 Cb 0.83 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 2yrn h PHE 116 CO 0.01 0.11 -0.10 0.35 -0.60 0.00 0.00 178.31 178.07 2yrn h PHE 117 N 0.00 0.80 0.00 -0.55 3.04 0.56 -2.85 116.94 117.93 2yrn h PHE 117 Ca -0.00 -0.14 -0.35 0.00 3.98 0.00 0.00 57.97 61.46 2yrn h PHE 117 Cb 0.34 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.59 2yrn h PHE 117 CO 0.00 0.80 -1.90 0.43 -2.02 0.00 0.00 178.31 175.62 2yrn n SER 118 N -4.17 1.91 -0.30 0.41 7.64 -0.68 -4.36 113.62 114.06 2yrn n SER 118 Ca 0.01 0.38 -0.05 0.00 1.01 0.00 0.00 58.87 60.22 2yrn n SER 118 Cb 0.35 -0.89 -0.01 0.00 -1.01 0.00 0.00 64.21 62.65 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 -1.50 -0.94 -3.43 5.85 -0.64 0.41 115.31 114.05 2yrn h LEU 119 Ca -0.53 0.28 0.28 0.00 0.84 0.00 0.00 57.88 58.75 2yrn h LEU 119 Cb 1.46 0.73 -0.15 0.00 0.37 0.00 0.00 40.66 43.07 2yrn h LEU 119 CO -0.32 -0.30 0.35 -1.28 -0.34 0.00 0.00 178.44 176.55 2yrn h SER 120 N -0.10 0.15 -0.61 1.25 0.87 -1.72 0.16 113.55 113.55 2yrn h SER 120 Ca 0.25 0.21 0.12 0.00 -1.23 0.00 0.00 61.79 61.14 2yrn h SER 120 Cb 0.56 0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 62.64 2yrn h SER 120 CO -0.84 -0.18 -0.17 0.03 -0.53 0.00 0.00 176.83 175.14 2yrn h ARG 121 N 0.22 -0.01 -1.00 2.24 3.08 -0.38 -0.48 114.38 118.06 2yrn h ARG 121 Ca 0.64 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.82 2yrn h ARG 121 Cb 1.38 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.28 2yrn h ARG 121 CO -0.67 -0.01 -0.44 -0.92 -1.07 0.00 0.00 179.97 176.86 2yrn h TYR 122 N -0.01 -1.29 -0.12 3.04 5.03 -0.66 0.37 116.97 123.32 2yrn h TYR 122 Ca 0.29 0.11 -0.03 0.00 2.58 0.00 0.00 58.73 61.69 2yrn h TYR 122 Cb 0.46 0.71 -0.00 0.00 1.55 0.00 0.00 36.73 39.44 2yrn h TYR 122 CO -0.51 -0.40 -0.04 -0.22 -1.32 0.00 0.00 178.16 175.67 2yrn h LYS 123 N -0.00 0.24 -5.91 1.82 1.63 -1.36 -3.40 116.57 109.59 2yrn h LYS 123 Ca 0.30 -0.10 -0.81 0.00 -0.85 0.00 0.00 60.65 59.20 2yrn h LYS 123 Cb 0.55 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2yrn h LYS 123 CO -0.98 0.55 1.00 1.04 -3.45 0.00 0.00 179.45 177.62 2yrn n GLN 124 N -4.72 0.00 -3.45 1.90 6.02 0.12 -0.06 117.38 117.19 2yrn n GLN 124 Ca -0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.74 2yrn n GLN 124 Cb 0.26 -1.48 0.07 0.00 1.02 0.00 0.00 30.24 30.11 2yrn n GLN 124 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2yrn n GLN 125 N 5.73 -4.05 -2.19 -1.09 3.00 -1.26 -4.94 117.38 112.58 2yrn n GLN 125 Ca 0.43 0.77 -0.26 0.00 -0.01 0.00 0.00 57.00 57.93 2yrn n GLN 125 Cb -0.05 -5.52 0.01 0.00 0.00 0.00 0.00 30.24 24.68 2yrn n GLN 125 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2yrn n GLN 126 N -3.83 3.49 -4.04 -1.09 -0.06 0.92 -5.03 117.38 107.74 2yrn n GLN 126 Ca -0.19 -4.27 -0.10 0.00 -2.00 0.00 0.00 57.00 50.44 2yrn n GLN 126 Cb 0.64 -2.27 -0.07 0.00 -4.06 0.00 0.00 30.24 24.48 2yrn n GLN 126 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2yrn s GLN 127 N -3.59 1.32 0.52 3.69 -2.07 -1.26 -5.05 119.66 113.22 2yrn s GLN 127 Ca 0.50 -1.33 -0.20 0.00 -1.82 0.00 0.00 55.36 52.51 2yrn s GLN 127 Cb 0.41 0.38 -0.07 0.00 -1.09 0.00 0.00 33.01 32.64 2yrn s GLN 127 CO -0.07 -0.50 1.10 1.14 -1.32 0.00 0.00 175.29 175.65 2yrn s GLN 128 N -4.04 3.51 0.00 9.60 1.03 -1.26 -5.24 119.66 123.26 2yrn s GLN 128 Ca 0.25 1.53 0.16 0.00 0.04 0.00 0.00 55.36 57.34 2yrn s GLN 128 Cb 0.03 -2.05 0.93 0.00 0.03 0.00 0.00 33.01 31.95 2yrn s GLN 128 CO 0.07 -0.70 1.34 -0.35 -2.54 0.00 0.00 175.29 173.10