#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn s SER 2 N 0.00 6.93 -0.29 1.61 0.01 -1.26 -5.02 113.70 115.68 2yrn s SER 2 Ca 0.00 2.49 -0.19 0.00 1.31 0.00 0.00 55.95 59.56 2yrn s SER 2 Cb 0.00 -2.63 0.15 0.00 0.21 0.00 0.00 66.02 63.75 2yrn s SER 2 CO 0.00 -0.45 1.07 -0.94 0.41 0.00 0.00 173.24 173.34 2yrn s SER 3 N -0.26 -0.39 0.00 2.44 1.04 -1.26 -5.16 113.70 110.11 2yrn s SER 3 Ca 0.51 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.60 2yrn s SER 3 Cb -0.37 0.99 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2yrn s SER 3 CO 0.45 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.17 2yrn n GLY 4 N 3.04 -1.01 2.25 7.32 0.00 -1.26 -4.98 105.19 110.54 2yrn n GLY 4 Ca -0.16 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 2yrn n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrn n SER 5 N 3.00 4.50 -0.29 1.61 2.88 -1.26 -4.89 113.62 119.17 2yrn n SER 5 Ca 0.00 -3.58 0.04 0.00 -1.33 0.00 0.00 58.87 54.00 2yrn n SER 5 Cb 0.00 -0.40 0.10 0.00 -0.75 0.00 0.00 64.21 63.17 2yrn n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yrn n SER 6 N -0.60 -0.31 0.00 -3.46 2.88 -1.26 -4.84 113.62 106.03 2yrn n SER 6 Ca 0.39 1.36 0.00 0.00 -1.33 0.00 0.00 58.87 59.28 2yrn n SER 6 Cb 0.85 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2yrn n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 7 N -1.48 1.76 2.59 0.46 0.00 -1.26 -5.03 105.19 102.23 2yrn n GLY 7 Ca 0.12 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 2yrn n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yrn n LYS 8 N -1.12 2.07 -0.90 1.61 3.00 -1.26 -4.90 118.16 116.66 2yrn n LYS 8 Ca 0.00 -3.76 -0.16 0.00 -0.00 0.00 0.00 58.31 54.39 2yrn n LYS 8 Cb 0.00 -1.65 0.02 0.00 0.00 0.00 0.00 35.03 33.40 2yrn n LYS 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2yrn n ARG 9 N -0.24 1.78 -3.59 1.64 3.00 -1.26 -4.84 116.66 113.15 2yrn n ARG 9 Ca 0.21 -1.46 -0.07 0.00 -0.01 0.00 0.00 57.85 56.52 2yrn n ARG 9 Cb 0.76 -1.60 -0.04 0.00 0.00 0.00 0.00 32.46 31.58 2yrn n ARG 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2yrn s LYS 10 N -1.58 0.43 0.19 5.56 -2.85 -1.26 -5.15 119.74 115.08 2yrn s LYS 10 Ca 0.31 0.02 -0.30 0.00 -1.00 0.00 0.00 55.97 55.00 2yrn s LYS 10 Cb 0.23 0.20 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 2yrn s LYS 10 CO -0.02 -0.15 1.31 -1.25 0.10 0.00 0.00 175.35 175.34 2yrn s PRO 11 N -1.50 4.39 -0.45 1.78 0.04 -1.26 -4.88 135.00 133.12 2yrn s PRO 11 Ca 0.04 2.05 -0.43 0.00 0.04 0.00 0.00 61.00 62.69 2yrn s PRO 11 Cb -0.01 -3.20 -0.18 0.00 0.04 0.00 0.00 34.50 31.15 2yrn s PRO 11 CO -0.03 -0.26 1.46 1.55 0.04 0.00 0.00 177.00 179.76 2yrn n VAL 12 N 2.70 0.00 -0.04 -0.36 3.14 -1.26 -4.82 118.33 117.69 2yrn n VAL 12 Ca 0.06 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.41 2yrn n VAL 12 Cb 0.43 -0.45 -0.05 0.00 -1.06 0.00 0.00 33.84 32.70 2yrn n VAL 12 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2yrn n ILE 13 N 3.65 0.48 -3.17 1.55 2.08 -1.26 -5.05 119.36 117.64 2yrn n ILE 13 Ca 0.28 -0.28 -0.14 0.00 0.56 0.00 0.00 62.75 63.17 2yrn n ILE 13 Cb -0.05 -0.82 0.07 0.00 -0.75 0.00 0.00 39.64 38.09 2yrn n ILE 13 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2yrn n HIS 14 N -2.31 -1.93 -0.97 1.39 8.25 -1.26 -4.93 115.22 113.45 2yrn n HIS 14 Ca -0.12 0.79 -0.35 0.00 -0.26 0.00 0.00 57.72 57.78 2yrn n HIS 14 Cb 0.72 -4.48 0.06 0.00 1.12 0.00 0.00 29.99 27.41 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 -1.15 -3.62 0.30 -1.41 0.00 -1.26 -3.55 105.19 94.51 2yrn n GLY 15 Ca -0.21 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 1.82 -0.47 -0.23 0.99 4.77 -1.26 0.17 117.00 122.78 2yrn n LEU 16 Ca 0.02 1.38 -0.08 0.00 -0.03 0.00 0.00 56.01 57.30 2yrn n LEU 16 Cb 0.54 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2yrn n LEU 16 CO 0.52 -1.26 0.92 -0.33 -1.33 0.00 0.00 177.39 175.92 2yrn h GLU 17 N 0.00 1.06 0.00 3.23 5.08 -2.01 -2.45 114.58 119.49 2yrn h GLU 17 Ca 0.30 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2yrn h GLU 17 Cb 0.49 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2yrn h GLU 17 CO -0.79 0.96 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.55 2yrn h ASP 18 N 0.98 0.00 -0.05 1.42 3.32 0.15 -2.89 116.42 119.35 2yrn h ASP 18 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2yrn h ASP 18 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2yrn h ASP 18 CO 0.01 0.19 -0.01 1.56 -1.72 0.00 0.00 179.24 179.26 2yrn h GLN 19 N 0.00 0.09 -0.66 3.56 4.20 0.51 -3.07 115.11 119.74 2yrn h GLN 19 Ca -0.00 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.77 2yrn h GLN 19 Cb 0.34 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.00 2yrn h GLN 19 CO 0.02 0.42 -0.45 -0.22 -0.67 0.00 0.00 178.83 177.93 2yrn h LYS 20 N -0.25 -0.18 -0.24 1.46 3.64 -1.30 -0.62 116.57 119.07 2yrn h LYS 20 Ca 0.01 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2yrn h LYS 20 Cb 0.39 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2yrn h LYS 20 CO 0.00 -0.12 -0.28 -0.09 -2.27 0.00 0.00 179.45 176.69 2yrn h ARG 21 N -0.19 -0.28 -0.83 1.90 9.65 -1.59 0.25 114.38 123.29 2yrn h ARG 21 Ca 0.19 0.02 0.20 0.00 -1.10 0.00 0.00 59.98 59.29 2yrn h ARG 21 Cb 0.55 0.06 -0.15 0.00 -1.39 0.00 0.00 29.97 29.05 2yrn h ARG 21 CO -0.74 -0.19 0.01 0.82 2.80 0.00 0.00 179.97 182.66 2yrn h ILE 22 N -0.29 0.24 0.19 1.20 2.04 -1.03 -0.83 117.51 119.03 2yrn h ILE 22 Ca 0.13 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2yrn h ILE 22 Cb 0.50 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2yrn h ILE 22 CO -0.41 0.01 -0.09 1.88 0.00 0.00 0.00 178.15 179.54 2yrn h TYR 23 N 0.08 -0.24 -0.94 1.37 0.05 -0.56 -1.85 116.97 114.88 2yrn h TYR 23 Ca 0.47 -0.01 0.15 0.00 0.05 0.00 0.00 58.73 59.40 2yrn h TYR 23 Cb 0.87 0.08 -0.16 0.00 1.01 0.00 0.00 36.73 38.53 2yrn h TYR 23 CO -0.45 0.11 -0.36 1.15 -1.05 0.00 0.00 178.16 177.56 2yrn h THR 24 N -0.64 0.03 -0.52 -2.88 2.02 0.38 0.49 112.91 111.80 2yrn h THR 24 Ca -0.03 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 2yrn h THR 24 Cb 0.46 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2yrn h THR 24 CO 0.04 0.00 -0.12 -0.78 0.37 0.00 0.00 175.52 175.03 2yrn h ASP 25 N -0.02 0.99 -0.58 4.18 1.82 -1.34 -1.68 116.42 119.78 2yrn h ASP 25 Ca 0.35 -0.33 0.08 0.00 -0.39 0.00 0.00 57.03 56.74 2yrn h ASP 25 Cb 0.61 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.29 2yrn h ASP 25 CO -0.95 1.11 0.25 -0.25 -1.61 0.00 0.00 179.24 177.79 2yrn h TRP 26 N 0.88 0.45 -0.08 0.28 7.01 0.73 -2.68 115.95 122.54 2yrn h TRP 26 Ca 0.13 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.11 2yrn h TRP 26 Cb 0.68 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 2yrn h TRP 26 CO 0.04 0.16 -0.14 0.00 -2.79 0.00 0.00 178.44 175.71 2yrn h ALA 27 N 1.37 0.12 -0.85 2.65 0.00 -0.71 -3.28 119.26 118.56 2yrn h ALA 27 Ca 0.28 -0.34 0.15 0.00 0.00 0.00 0.00 54.91 55.00 2yrn h ALA 27 Cb 0.29 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.90 2yrn h ALA 27 CO -0.25 0.02 -0.27 0.09 0.00 0.00 0.00 179.25 178.84 2yrn n ASN 28 N -4.61 -0.42 -0.11 0.00 5.03 -0.64 -0.60 115.26 113.91 2yrn n ASN 28 Ca -0.08 1.48 -0.09 0.00 0.87 0.00 0.00 54.58 56.77 2yrn n ASN 28 Cb 0.37 -0.40 -0.06 0.00 -1.02 0.00 0.00 39.78 38.67 2yrn n ASN 28 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 2yrn h HIS 29 N 0.00 -1.10 -0.75 3.10 2.76 -1.57 0.97 115.15 118.56 2yrn h HIS 29 Ca 0.36 0.06 0.17 0.00 -2.20 0.00 0.00 60.37 58.76 2yrn h HIS 29 Cb 0.57 0.52 -0.12 0.00 1.55 0.00 0.00 27.41 29.92 2yrn h HIS 29 CO -0.70 -0.30 0.08 1.88 -1.30 0.00 0.00 177.93 177.59 2yrn h TYR 30 N -0.22 0.09 0.59 5.26 0.05 -1.00 1.08 116.97 122.82 2yrn h TYR 30 Ca 0.05 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2yrn h TYR 30 Cb 0.36 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 2yrn h TYR 30 CO -0.72 -0.19 -0.47 -0.07 -1.05 0.00 0.00 178.16 175.66 2yrn h LEU 31 N 0.16 -1.24 0.00 3.88 3.38 -0.48 -0.48 115.31 120.53 2yrn h LEU 31 Ca 0.42 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2yrn h LEU 31 Cb 0.76 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2yrn h LEU 31 CO -0.61 -0.66 0.00 0.00 0.09 0.00 0.00 178.44 177.26 2yrn n ALA 32 N -2.74 1.65 0.05 1.53 0.00 0.17 -2.26 120.51 118.91 2yrn n ALA 32 Ca -0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2yrn n ALA 32 Cb 0.45 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 2yrn n ALA 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2yrn h LYS 33 N 0.00 0.09 -0.88 0.00 3.64 0.22 -3.30 116.57 116.34 2yrn h LYS 33 Ca 0.00 -0.15 -0.36 0.00 -1.27 0.00 0.00 60.65 58.87 2yrn h LYS 33 Cb 0.22 0.05 -0.22 0.00 -0.41 0.00 0.00 32.23 31.88 2yrn h LYS 33 CO 0.00 0.93 0.46 0.45 -2.27 0.00 0.00 179.45 179.02 2yrn n SER 34 N -3.32 4.34 -3.12 4.20 2.88 -0.29 -4.94 113.62 113.37 2yrn n SER 34 Ca -0.09 -3.40 -0.03 0.00 -1.33 0.00 0.00 58.87 54.02 2yrn n SER 34 Cb 1.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.62 -1.24 3.46 0.46 0.00 -1.22 -5.03 105.19 101.01 2yrn n GLY 35 Ca 0.50 0.55 -0.31 0.00 0.00 0.00 0.00 46.02 46.76 2yrn n GLY 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yrn s HIS 36 N -2.96 2.56 -0.75 1.61 5.04 -1.01 -5.02 115.29 114.77 2yrn s HIS 36 Ca 0.02 -0.25 -0.01 0.00 -1.54 0.00 0.00 55.06 53.28 2yrn s HIS 36 Cb -0.01 -1.45 0.38 0.00 0.04 0.00 0.00 32.58 31.55 2yrn s HIS 36 CO 0.77 0.27 1.90 1.63 -2.34 0.00 0.00 174.74 176.97 2yrn n LYS 37 N 1.44 2.84 -3.61 2.88 5.02 -1.26 -4.70 118.16 120.77 2yrn n LYS 37 Ca -0.16 -3.60 -0.07 0.00 -2.02 0.00 0.00 58.31 52.46 2yrn n LYS 37 Cb 0.52 -2.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.21 2yrn n LYS 37 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2yrn s ARG 38 N -3.95 0.38 0.42 1.97 3.52 -1.26 -5.19 118.95 114.84 2yrn s ARG 38 Ca 0.54 0.17 0.01 0.00 -0.13 0.00 0.00 55.73 56.32 2yrn s ARG 38 Cb 0.45 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 34.02 2yrn s ARG 38 CO -0.29 -0.10 0.03 1.28 -0.81 0.00 0.00 175.30 175.40 2yrn n LEU 39 N 0.99 0.00 -4.28 -0.88 4.77 -1.26 -4.73 117.00 111.61 2yrn n LEU 39 Ca -0.08 -2.75 -0.38 0.00 -0.03 0.00 0.00 56.01 52.77 2yrn n LEU 39 Cb 0.58 0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 42.00 2yrn n LEU 39 CO 0.10 -0.40 -0.24 -0.63 -1.33 0.00 0.00 177.39 174.90 2yrn s ILE 40 N -2.66 3.86 -0.06 -0.08 1.01 -1.26 -4.99 121.20 117.03 2yrn s ILE 40 Ca 0.05 -1.15 -0.00 0.00 0.00 0.00 0.00 60.65 59.55 2yrn s ILE 40 Cb 0.00 -3.21 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 2yrn s ILE 40 CO 0.03 -0.22 -0.00 0.03 0.00 0.00 0.00 174.94 174.79 2yrn h ARG 41 N 8.24 0.00 -4.56 2.79 3.08 -1.98 -3.44 114.38 118.51 2yrn h ARG 41 Ca -0.23 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.13 2yrn h ARG 41 Cb 1.08 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.79 2yrn h ARG 41 CO 0.62 0.00 -0.59 -0.51 -1.07 0.00 0.00 179.97 178.42 2yrn s ASP 42 N -4.49 5.17 0.26 7.04 1.01 -1.26 -4.98 116.67 119.42 2yrn s ASP 42 Ca -0.00 -1.85 -0.00 0.00 0.71 0.00 0.00 52.55 51.41 2yrn s ASP 42 Cb 0.00 -1.80 0.59 0.00 1.01 0.00 0.00 42.92 42.73 2yrn s ASP 42 CO 0.00 -0.47 1.33 -0.11 0.21 0.00 0.00 175.17 176.13 2yrn n LEU 43 N 4.59 -0.15 -0.27 1.23 7.94 -1.26 0.20 117.00 129.29 2yrn n LEU 43 Ca -0.05 1.45 -0.02 0.00 -1.11 0.00 0.00 56.01 56.29 2yrn n LEU 43 Cb 0.42 -0.51 0.10 0.00 0.53 0.00 0.00 43.42 43.96 2yrn n LEU 43 CO 0.31 -1.45 1.15 1.56 -1.11 0.00 0.00 177.39 177.85 2yrn h GLN 44 N 0.00 0.84 0.00 1.96 4.20 -1.93 -1.09 115.11 119.08 2yrn h GLN 44 Ca 0.49 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2yrn h GLN 44 Cb 0.97 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2yrn h GLN 44 CO -0.82 0.56 -0.17 1.96 -0.67 0.00 0.00 178.83 179.69 2yrn h GLN 45 N 0.87 0.00 -0.00 1.46 1.08 0.19 -3.15 115.11 115.55 2yrn h GLN 45 Ca 0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 2yrn h GLN 45 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2yrn h GLN 45 CO -0.15 0.00 -0.00 -3.47 -0.95 0.00 0.00 178.83 174.26 2yrn n ASP 46 N -2.52 0.01 -1.78 1.46 2.03 0.28 -3.47 116.55 112.55 2yrn n ASP 46 Ca 0.04 0.12 -0.01 0.00 0.52 0.00 0.00 54.79 55.46 2yrn n ASP 46 Cb 0.47 -0.37 0.07 0.00 -0.72 0.00 0.00 41.12 40.57 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 -1.37 1.24 0.01 5.18 0.24 -0.94 -2.74 118.33 119.95 2yrn n VAL 47 Ca 0.11 -2.55 -0.14 0.00 -2.04 0.00 0.00 64.34 59.72 2yrn n VAL 47 Cb 0.28 0.47 -0.14 0.00 -1.47 0.00 0.00 33.84 32.98 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 4.55 0.90 0.00 3.34 1.35 -1.60 -3.37 112.91 118.08 2yrn h THR 48 Ca -0.06 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.15 2yrn h THR 48 Cb 1.48 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2yrn h THR 48 CO 0.21 0.71 -1.65 0.47 -0.25 0.00 0.00 175.52 175.02 2yrn n ASP 49 N -3.29 1.32 0.00 5.36 8.00 -1.26 -4.52 116.55 122.17 2yrn n ASP 49 Ca -0.20 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.23 2yrn n ASP 49 Cb 1.04 1.67 0.00 0.00 -0.02 0.00 0.00 41.12 43.81 2yrn n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yrn n GLY 50 N 1.58 2.90 0.00 0.44 0.00 -1.26 -4.07 105.19 104.78 2yrn n GLY 50 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2yrn n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yrn n VAL 51 N -0.55 0.00 -0.27 1.61 0.31 -1.26 -0.38 118.33 117.79 2yrn n VAL 51 Ca 0.00 1.47 0.15 0.00 -0.01 0.00 0.00 64.34 65.96 2yrn n VAL 51 Cb 0.00 -2.30 0.43 0.00 -0.91 0.00 0.00 33.84 31.06 2yrn n VAL 51 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2yrn h LEU 52 N 0.00 0.57 0.04 7.52 6.46 -1.91 -1.18 115.31 126.80 2yrn h LEU 52 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2yrn h LEU 52 Cb 0.00 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 2yrn h LEU 52 CO 0.00 0.25 -0.05 0.25 -0.62 0.00 0.00 178.44 178.27 2yrn h LEU 53 N 0.58 -0.13 -0.87 2.25 5.85 -1.27 -2.72 115.31 119.00 2yrn h LEU 53 Ca 0.48 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.20 2yrn h LEU 53 Cb 0.94 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2yrn h LEU 53 CO -0.22 -0.08 0.51 0.00 -0.34 0.00 0.00 178.44 178.31 2yrn h ALA 54 N 0.86 1.11 -1.72 1.25 0.00 0.45 -2.31 119.26 118.90 2yrn h ALA 54 Ca 0.01 -0.11 0.50 0.00 0.00 0.00 0.00 54.91 55.31 2yrn h ALA 54 Cb 0.11 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 2yrn h ALA 54 CO -0.03 0.59 1.23 1.96 0.00 0.00 0.00 179.25 183.01 2yrn h GLN 55 N 1.20 0.01 0.00 0.00 4.20 -0.99 0.10 115.11 119.63 2yrn h GLN 55 Ca 0.31 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.86 2yrn h GLN 55 Cb -0.02 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2yrn h GLN 55 CO -0.06 0.00 -0.96 0.82 -0.67 0.00 0.00 178.83 177.97 2yrn h ILE 56 N 0.01 0.85 -0.33 2.54 5.03 -1.46 -3.35 117.51 120.80 2yrn h ILE 56 Ca 0.83 -1.98 0.06 0.00 -0.12 0.00 0.00 64.86 63.65 2yrn h ILE 56 Cb 3.29 1.95 -0.08 0.00 -3.03 0.00 0.00 36.82 38.94 2yrn h ILE 56 CO -0.04 0.29 -0.41 0.40 -0.68 0.00 0.00 178.15 177.72 2yrn h ILE 57 N -1.00 0.14 -1.15 -0.67 2.04 -0.74 0.33 117.51 116.47 2yrn h ILE 57 Ca -0.24 0.00 0.33 0.00 1.00 0.00 0.00 64.86 65.95 2yrn h ILE 57 Cb 1.11 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2yrn h ILE 57 CO -0.15 0.00 0.82 1.56 0.00 0.00 0.00 178.15 180.38 2yrn h GLN 58 N -0.36 0.04 0.00 2.37 4.20 -1.24 0.27 115.11 120.39 2yrn h GLN 58 Ca 0.13 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2yrn h GLN 58 Cb 0.59 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2yrn h GLN 58 CO -0.52 0.03 -0.00 0.28 -0.67 0.00 0.00 178.83 177.95 2yrn h VAL 59 N 0.04 0.00 -0.51 -0.54 2.07 -0.58 0.33 116.25 117.07 2yrn h VAL 59 Ca 0.56 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 68.08 2yrn h VAL 59 Cb 2.14 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2yrn h VAL 59 CO -0.04 0.00 0.69 1.62 0.02 0.00 0.00 177.57 179.85 2yrn h VAL 60 N -0.14 0.19 0.00 2.57 3.04 -0.66 0.87 116.25 122.11 2yrn h VAL 60 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 2yrn h VAL 60 Cb 0.00 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 2yrn h VAL 60 CO 0.00 0.00 -1.97 0.00 -1.01 0.00 0.00 177.57 174.59 2yrn n ALA 61 N -2.20 2.64 -2.80 3.17 0.00 0.91 -4.93 120.51 117.31 2yrn n ALA 61 Ca 0.10 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.80 2yrn n ALA 61 Cb 0.87 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.35 -4.55 -3.65 0.00 2.85 0.30 -5.01 115.26 102.85 2yrn n ASN 62 Ca -0.07 -0.20 -0.20 0.00 -0.11 0.00 0.00 54.58 53.99 2yrn n ASN 62 Cb 0.64 -3.39 -0.08 0.00 1.24 0.00 0.00 39.78 38.18 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2yrn s GLU 63 N -5.34 1.75 -0.02 1.20 2.12 0.83 -5.00 118.70 114.24 2yrn s GLU 63 Ca 0.22 -2.02 0.05 0.00 0.36 0.00 0.00 54.97 53.57 2yrn s GLU 63 Cb -0.10 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.35 2yrn s GLU 63 CO 0.27 -0.58 -0.17 0.21 -0.54 0.00 0.00 175.26 174.45 2yrn s LYS 64 N -3.59 1.52 -0.48 4.30 2.20 -1.26 -4.31 119.74 118.13 2yrn s LYS 64 Ca 0.36 -0.61 -0.14 0.00 -0.36 0.00 0.00 55.97 55.23 2yrn s LYS 64 Cb 0.03 -1.41 0.09 0.00 -1.51 0.00 0.00 37.83 35.03 2yrn s LYS 64 CO 0.23 0.32 0.39 0.42 -0.36 0.00 0.00 175.35 176.35 2yrn s ILE 65 N -0.23 4.93 -0.57 5.43 1.01 -1.26 -4.91 121.20 125.61 2yrn s ILE 65 Ca 0.03 -1.32 0.23 0.00 0.00 0.00 0.00 60.65 59.59 2yrn s ILE 65 Cb -0.08 -4.04 0.24 0.00 0.01 0.00 0.00 42.46 38.58 2yrn s ILE 65 CO 0.00 -0.66 1.71 -0.62 0.00 0.00 0.00 174.94 175.37 2yrn n GLU 66 N 5.13 0.19 -0.78 2.79 1.02 -1.26 -3.05 120.64 124.68 2yrn n GLU 66 Ca -0.12 0.37 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 2yrn n GLU 66 Cb 0.42 -1.83 0.05 0.00 -0.02 0.00 0.00 31.44 30.07 2yrn n GLU 66 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2yrn n ASP 67 N -2.17 5.45 -4.19 1.62 -0.08 -1.26 -4.82 116.55 111.10 2yrn n ASP 67 Ca 0.03 -2.95 -0.35 0.00 -1.51 0.00 0.00 54.79 50.01 2yrn n ASP 67 Cb 0.26 -0.93 -0.14 0.00 2.34 0.00 0.00 41.12 42.65 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2yrn s ILE 68 N -2.00 2.95 0.00 5.18 -1.09 -1.17 -4.57 121.20 120.51 2yrn s ILE 68 Ca 0.29 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 2yrn s ILE 68 Cb 0.23 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.50 2yrn s ILE 68 CO 0.01 0.02 0.82 -3.20 -1.23 0.00 0.00 174.94 171.36 2yrn n ASN 69 N 4.64 0.00 0.00 3.58 5.15 -1.26 -4.95 115.26 122.42 2yrn n ASN 69 Ca -0.15 0.82 0.00 0.00 -0.60 0.00 0.00 54.58 54.65 2yrn n ASN 69 Cb 0.45 -0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 2yrn n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2yrn n GLY 70 N -0.92 3.09 2.68 8.20 0.00 -1.26 -4.98 105.19 112.01 2yrn n GLY 70 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.68 3.19 -0.19 0.00 0.04 -1.26 -4.83 135.00 131.27 2yrn s PRO 72 Ca 0.27 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.47 2yrn s PRO 72 Cb -0.03 -4.22 -0.21 0.00 0.04 0.00 0.00 34.50 30.08 2yrn s PRO 72 CO -0.16 -2.03 0.05 1.63 0.04 0.00 0.00 177.00 176.53 2yrn n LYS 73 N 8.57 0.68 -1.87 4.56 4.76 -1.26 -4.82 118.16 128.78 2yrn n LYS 73 Ca 0.21 0.17 -0.31 0.00 -2.87 0.00 0.00 58.31 55.51 2yrn n LYS 73 Cb 0.48 -1.59 0.03 0.00 -1.84 0.00 0.00 35.03 32.11 2yrn n LYS 73 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2yrn s ASN 74 N -6.46 5.88 0.29 4.39 2.47 -1.26 -4.97 114.94 115.28 2yrn s ASN 74 Ca -0.25 1.31 -0.01 0.00 0.42 0.00 0.00 52.86 54.33 2yrn s ASN 74 Cb 0.08 -2.25 0.43 0.00 -1.45 0.00 0.00 41.25 38.06 2yrn s ASN 74 CO 0.70 -1.08 1.85 -0.09 -3.72 0.00 0.00 177.10 174.76 2yrn h ARG 75 N -0.47 0.84 0.16 0.43 2.43 -2.03 -3.09 114.38 112.64 2yrn h ARG 75 Ca -0.44 -0.15 -0.25 0.00 -0.81 0.00 0.00 59.98 58.32 2yrn h ARG 75 Cb 1.22 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2yrn h ARG 75 CO 0.63 0.72 -1.19 0.66 -1.51 0.00 0.00 179.97 179.27 2yrn h SER 76 N 0.81 0.52 -1.67 -3.80 4.64 -1.99 -3.32 113.55 108.74 2yrn h SER 76 Ca 0.19 -0.91 0.48 0.00 -0.47 0.00 0.00 61.79 61.08 2yrn h SER 76 Cb 0.24 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.09 2yrn h SER 76 CO -0.01 1.55 1.26 0.00 -0.87 0.00 0.00 176.83 178.76 2yrn n GLN 77 N -3.95 0.00 -0.03 4.77 6.02 -1.17 0.21 117.38 123.22 2yrn n GLN 77 Ca -0.19 0.96 -0.15 0.00 -0.01 0.00 0.00 57.00 57.62 2yrn n GLN 77 Cb 0.91 -2.25 -0.10 0.00 1.02 0.00 0.00 30.24 29.83 2yrn n GLN 77 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2yrn h MET 78 N 0.00 0.30 -0.52 -1.09 2.86 -1.65 -3.31 114.93 111.52 2yrn h MET 78 Ca 0.79 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 58.26 2yrn h MET 78 Cb 3.30 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 34.92 2yrn h MET 78 CO -0.01 0.89 -0.46 0.82 1.06 0.00 0.00 176.91 179.21 2yrn h ILE 79 N -0.21 0.07 -0.65 -1.22 1.08 0.22 -2.00 117.51 114.81 2yrn h ILE 79 Ca -0.02 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 2yrn h ILE 79 Cb 0.95 0.07 -0.09 0.00 -3.07 0.00 0.00 36.82 34.68 2yrn h ILE 79 CO 0.06 0.00 -0.50 -0.33 -0.69 0.00 0.00 178.15 176.69 2yrn h GLU 80 N -0.28 -0.14 0.00 2.37 4.39 -1.64 0.59 114.58 119.88 2yrn h GLU 80 Ca 0.15 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2yrn h GLU 80 Cb 0.57 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2yrn h GLU 80 CO -0.65 -0.09 0.00 0.09 -1.16 0.00 0.00 179.01 177.19 2yrn n ASN 81 N -4.97 0.00 -0.30 1.42 4.13 -0.76 0.87 115.26 115.65 2yrn n ASN 81 Ca -0.00 0.76 0.16 0.00 1.68 0.00 0.00 54.58 57.18 2yrn n ASN 81 Cb 0.25 -0.36 0.42 0.00 -1.54 0.00 0.00 39.78 38.55 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 0.69 -0.27 2.41 2.04 -1.35 -0.61 117.51 120.41 2yrn h ILE 82 Ca 0.00 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2yrn h ILE 82 Cb 0.00 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 2yrn h ILE 82 CO 0.00 0.11 0.14 -0.78 0.00 0.00 0.00 178.15 177.62 2yrn h ASP 83 N 0.58 0.22 -0.57 1.72 3.58 0.28 -2.42 116.42 119.81 2yrn h ASP 83 Ca 0.53 0.01 0.10 0.00 0.42 0.00 0.00 57.03 58.09 2yrn h ASP 83 Cb 1.06 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.99 2yrn h ASP 83 CO -0.28 0.16 0.13 0.00 -2.88 0.00 0.00 179.24 176.38 2yrn h ALA 84 N 1.14 0.67 -0.89 -0.78 0.00 0.12 0.31 119.26 119.82 2yrn h ALA 84 Ca 0.11 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2yrn h ALA 84 Cb 0.03 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2yrn h ALA 84 CO -0.07 -0.29 0.57 0.00 0.00 0.00 0.00 179.25 179.46 2yrn h LEU 86 N 1.10 0.03 -1.11 0.00 3.38 -0.71 -0.39 115.31 117.61 2yrn h LEU 86 Ca 0.36 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2yrn h LEU 86 Cb 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2yrn h LEU 86 CO -0.13 0.32 -0.13 0.78 0.09 0.00 0.00 178.44 179.38 2yrn h ASN 87 N -0.26 0.46 -0.16 -0.43 2.35 -0.70 -0.71 115.58 116.13 2yrn h ASN 87 Ca 0.01 -0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.49 2yrn h ASN 87 Cb 0.30 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2yrn h ASN 87 CO 0.00 0.62 -0.44 0.15 -1.65 0.00 0.00 177.43 176.11 2yrn h PHE 88 N 0.44 0.87 -0.18 1.19 3.57 -0.03 -3.02 116.94 119.78 2yrn h PHE 88 Ca 0.08 -0.27 -0.22 0.00 3.53 0.00 0.00 57.97 61.09 2yrn h PHE 88 Cb 0.49 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.06 2yrn h PHE 88 CO 0.02 1.03 -0.74 -0.07 -2.23 0.00 0.00 178.31 176.31 2yrn h LEU 89 N 0.58 0.95 -0.60 0.59 3.38 -0.77 -3.24 115.31 116.20 2yrn h LEU 89 Ca 0.04 -0.60 0.09 0.00 0.09 0.00 0.00 57.88 57.49 2yrn h LEU 89 Cb 0.99 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 2yrn h LEU 89 CO 0.09 1.41 0.22 0.00 0.09 0.00 0.00 178.44 180.25 2yrn h ALA 90 N 0.58 0.76 -0.06 1.53 0.00 -1.11 0.14 119.26 121.10 2yrn h ALA 90 Ca -0.04 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2yrn h ALA 90 Cb 1.37 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2yrn h ALA 90 CO 0.15 -0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.36 2yrn h ALA 91 N 1.40 1.40 0.00 0.00 0.00 -1.55 0.26 119.26 120.76 2yrn h ALA 91 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2yrn h ALA 91 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2yrn h ALA 91 CO -0.29 -0.17 -0.47 0.87 0.00 0.00 0.00 179.25 179.18 2yrn h LYS 92 N 0.00 0.00 0.00 0.00 1.79 -0.81 -3.47 116.57 114.08 2yrn h LYS 92 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2yrn h LYS 92 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2yrn h LYS 92 CO -0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2yrn n GLY 93 N 1.16 1.44 3.16 3.86 0.00 0.89 -5.13 105.19 110.58 2yrn n GLY 93 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2yrn n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yrn s ILE 94 N -2.00 1.99 0.13 -0.61 1.01 -1.14 -5.00 121.20 115.58 2yrn s ILE 94 Ca 0.00 -0.94 -0.31 0.00 0.00 0.00 0.00 60.65 59.39 2yrn s ILE 94 Cb 0.00 -1.76 -0.09 0.00 0.01 0.00 0.00 42.46 40.62 2yrn s ILE 94 CO 0.00 0.54 1.57 0.21 0.00 0.00 0.00 174.94 177.26 2yrn s ASN 95 N 0.77 6.62 0.00 3.58 2.47 -1.26 -3.69 114.94 123.44 2yrn s ASN 95 Ca -0.09 2.54 0.00 0.00 0.42 0.00 0.00 52.86 55.73 2yrn s ASN 95 Cb -0.16 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 2yrn s ASN 95 CO -0.01 -0.82 0.00 2.30 -3.72 0.00 0.00 177.10 174.85 2yrn n ILE 96 N 4.20 0.00 -0.28 -5.21 -5.35 -1.26 -4.81 119.36 106.66 2yrn n ILE 96 Ca 0.14 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.72 2yrn n ILE 96 Cb 0.40 -0.56 0.19 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.43 -0.07 -0.36 6.28 1.13 -1.26 0.21 117.38 121.88 2yrn n GLN 97 Ca 0.00 1.20 -0.00 0.00 -1.94 0.00 0.00 57.00 56.26 2yrn n GLN 97 Cb 0.29 -1.87 0.13 0.00 0.11 0.00 0.00 30.24 28.90 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 1.42 -0.93 1.08 0.00 -2.00 -3.43 103.07 99.21 2yrn h GLY 98 Ca 0.45 -0.49 -0.39 0.00 0.00 0.00 0.00 47.33 46.90 2yrn h GLY 98 CO -0.77 0.42 0.02 1.08 0.00 0.00 0.00 176.54 177.30 2yrn s LEU 99 N -10.15 -0.20 -0.28 3.11 1.43 0.57 -5.08 118.68 108.08 2yrn s LEU 99 Ca -0.13 0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 53.53 2yrn s LEU 99 Cb 0.19 -2.12 0.16 0.00 0.03 0.00 0.00 46.19 44.44 2yrn s LEU 99 CO 0.81 -4.80 0.55 -0.44 0.23 0.00 0.00 176.35 172.70 2yrn s SER 100 N -3.72 -0.89 0.19 2.29 0.01 -1.26 -5.04 113.70 105.29 2yrn s SER 100 Ca 0.71 0.91 -0.15 0.00 1.31 0.00 0.00 55.95 58.73 2yrn s SER 100 Cb -0.09 1.90 0.18 0.00 0.21 0.00 0.00 66.02 68.22 2yrn s SER 100 CO 0.56 -0.26 1.64 0.00 0.41 0.00 0.00 173.24 175.60 2yrn h ALA 101 N 8.06 0.36 -0.35 1.44 0.00 -1.93 -1.31 119.26 125.53 2yrn h ALA 101 Ca -0.20 0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2yrn h ALA 101 Cb 1.14 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 2yrn h ALA 101 CO 0.21 -0.43 -0.29 1.49 0.00 0.00 0.00 179.25 180.23 2yrn h GLU 102 N -0.00 -0.24 -0.65 0.00 4.81 -1.96 0.34 114.58 116.88 2yrn h GLU 102 Ca 0.26 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 2yrn h GLU 102 Cb 0.40 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 2yrn h GLU 102 CO -0.56 -0.16 0.34 0.93 -0.73 0.00 0.00 179.01 178.83 2yrn h GLU 103 N -0.25 0.60 -0.81 1.92 4.39 -1.72 -1.71 114.58 116.99 2yrn h GLU 103 Ca 0.17 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.86 2yrn h GLU 103 Cb 0.51 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 2yrn h GLU 103 CO -0.49 0.39 0.52 0.82 -1.16 0.00 0.00 179.01 179.09 2yrn h ILE 104 N 0.61 1.14 0.00 3.13 2.04 -0.11 -1.21 117.51 123.12 2yrn h ILE 104 Ca 0.30 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2yrn h ILE 104 Cb 0.24 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2yrn h ILE 104 CO -0.21 0.19 -0.21 -0.09 0.00 0.00 0.00 178.15 177.82 2yrn h ARG 105 N 1.03 0.00 0.00 2.37 2.43 -0.14 -1.81 114.38 118.26 2yrn h ARG 105 Ca 0.32 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 2yrn h ARG 105 Cb -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2yrn h ARG 105 CO -0.11 0.21 -0.18 -0.91 -1.51 0.00 0.00 179.97 177.48 2yrn h ASN 106 N 0.00 0.00 0.00 -3.80 2.35 -0.49 -3.44 115.58 110.20 2yrn h ASN 106 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2yrn h ASN 106 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2yrn h ASN 106 CO 0.03 0.18 0.00 0.61 -1.65 0.00 0.00 177.43 176.60 2yrn n GLY 107 N 0.81 0.86 3.59 2.83 0.00 -0.68 -5.02 105.19 107.58 2yrn n GLY 107 Ca 0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.25 5.72 0.15 1.61 3.84 -0.97 -4.84 114.94 118.19 2yrn s ASN 108 Ca 0.00 1.23 -0.29 0.00 0.21 0.00 0.00 52.86 54.02 2yrn s ASN 108 Cb 0.00 -2.52 -0.03 0.00 -0.55 0.00 0.00 41.25 38.15 2yrn s ASN 108 CO 0.00 -1.86 1.57 0.25 -2.79 0.00 0.00 177.10 174.27 2yrn h LEU 109 N 14.38 -1.50 -1.83 3.21 5.85 -1.95 0.44 115.31 133.92 2yrn h LEU 109 Ca -0.33 0.22 0.36 0.00 0.84 0.00 0.00 57.88 58.97 2yrn h LEU 109 Cb 1.18 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 42.80 2yrn h LEU 109 CO 1.05 -0.39 1.01 0.11 -0.34 0.00 0.00 178.44 179.88 2yrn h LYS 110 N -0.37 0.00 0.00 1.25 1.79 -1.96 0.13 116.57 117.41 2yrn h LYS 110 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2yrn h LYS 110 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2yrn h LYS 110 CO -0.55 0.00 -0.09 0.00 -1.08 0.00 0.00 179.45 177.73 2yrn h ALA 111 N 1.16 0.00 -0.30 3.86 0.00 -0.56 -3.28 119.26 120.15 2yrn h ALA 111 Ca 0.59 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.47 2yrn h ALA 111 Cb 2.60 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 20.40 2yrn h ALA 111 CO -0.01 0.09 -0.31 0.82 0.00 0.00 0.00 179.25 179.85 2yrn h ILE 112 N -0.84 0.27 -1.02 0.00 5.03 -0.05 0.10 117.51 121.00 2yrn h ILE 112 Ca 0.00 0.00 0.28 0.00 -0.12 0.00 0.00 64.86 65.02 2yrn h ILE 112 Cb 0.09 0.27 -0.13 0.00 -3.03 0.00 0.00 36.82 34.03 2yrn h ILE 112 CO 0.00 0.00 0.60 -0.07 -0.68 0.00 0.00 178.15 178.00 2yrn h LEU 113 N -0.29 0.58 -0.98 1.44 3.38 -0.98 0.37 115.31 118.82 2yrn h LEU 113 Ca 0.15 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2yrn h LEU 113 Cb 0.53 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2yrn h LEU 113 CO -0.46 -0.00 0.34 1.23 0.09 0.00 0.00 178.44 179.64 2yrn h GLY 114 N 0.45 1.14 0.64 0.83 0.00 -1.03 0.26 103.07 105.36 2yrn h GLY 114 Ca 0.68 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 2yrn h GLY 114 CO -0.51 0.54 -0.28 -2.00 0.00 0.00 0.00 176.54 174.29 2yrn h LEU 115 N 1.05 -0.65 -1.49 3.11 6.46 -0.01 -2.83 115.31 120.95 2yrn h LEU 115 Ca 0.25 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2yrn h LEU 115 Cb 0.13 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2yrn h LEU 115 CO -0.03 -0.26 0.00 -0.26 -0.62 0.00 0.00 178.44 177.27 2yrn h PHE 116 N -1.14 0.00 -0.12 1.25 0.04 -1.38 0.31 116.94 115.90 2yrn h PHE 116 Ca -0.08 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.51 2yrn h PHE 116 Cb 0.63 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 2yrn h PHE 116 CO 0.01 0.00 -0.67 0.35 -0.60 0.00 0.00 178.31 177.39 2yrn h PHE 117 N 0.00 0.63 0.02 -0.55 3.57 -0.35 -3.06 116.94 117.20 2yrn h PHE 117 Ca 0.00 -0.26 -0.35 0.00 3.53 0.00 0.00 57.97 60.89 2yrn h PHE 117 Cb 0.23 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 2yrn h PHE 117 CO 0.00 1.01 -1.94 -1.13 -2.23 0.00 0.00 178.31 174.02 2yrn n SER 118 N -3.88 1.95 -0.24 0.41 3.41 -0.86 -4.16 113.62 110.25 2yrn n SER 118 Ca -0.04 0.29 0.01 0.00 -0.26 0.00 0.00 58.87 58.87 2yrn n SER 118 Cb 0.68 -0.84 0.09 0.00 -0.26 0.00 0.00 64.21 63.88 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2yrn h LEU 119 N -0.70 -0.61 -0.68 1.04 5.85 -1.10 0.15 115.31 119.27 2yrn h LEU 119 Ca -0.50 0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.52 2yrn h LEU 119 Cb 1.60 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 42.97 2yrn h LEU 119 CO -0.22 -0.22 0.30 -1.28 -0.34 0.00 0.00 178.44 176.68 2yrn h SER 120 N 0.01 0.35 -0.21 1.25 0.87 -1.74 -2.06 113.55 112.02 2yrn h SER 120 Ca 0.34 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 61.02 2yrn h SER 120 Cb 0.53 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 2yrn h SER 120 CO -0.71 0.19 -0.07 0.03 -0.53 0.00 0.00 176.83 175.75 2yrn h ARG 121 N 0.51 -0.02 -1.27 2.24 3.08 -0.87 -0.15 114.38 117.90 2yrn h ARG 121 Ca 0.34 0.00 0.42 0.00 0.07 0.00 0.00 59.98 60.82 2yrn h ARG 121 Cb 0.41 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.33 2yrn h ARG 121 CO -0.30 -0.01 0.80 -0.92 -1.07 0.00 0.00 179.97 178.47 2yrn h TYR 122 N -0.02 0.58 0.00 3.04 5.03 -0.77 0.15 116.97 124.97 2yrn h TYR 122 Ca 0.11 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.33 2yrn h TYR 122 Cb 0.18 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 2yrn h TYR 122 CO -0.24 -0.22 -0.64 -0.22 -1.32 0.00 0.00 178.16 175.52 2yrn h LYS 123 N 0.10 0.00 -0.72 1.82 1.63 -1.27 -2.84 116.57 115.30 2yrn h LYS 123 Ca 0.81 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 60.76 2yrn h LYS 123 Cb 2.46 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 33.96 2yrn h LYS 123 CO -0.46 0.92 -0.16 1.04 -3.45 0.00 0.00 179.45 177.35 2yrn n GLN 124 N -4.53 -0.06 -0.04 1.90 1.13 -0.01 -0.17 117.38 115.60 2yrn n GLN 124 Ca -0.20 1.12 -0.16 0.00 -1.94 0.00 0.00 57.00 55.81 2yrn n GLN 124 Cb 0.55 -1.68 -0.13 0.00 0.11 0.00 0.00 30.24 29.09 2yrn n GLN 124 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2yrn h GLN 125 N 0.00 0.09 -5.30 -1.09 4.20 -1.60 -3.42 115.11 107.99 2yrn h GLN 125 Ca 0.36 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2yrn h GLN 125 Cb 0.57 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2yrn h GLN 125 CO -0.73 1.07 0.07 0.94 -0.67 0.00 0.00 178.83 179.51 2yrn n GLN 126 N -4.45 0.49 0.01 1.46 -0.06 0.76 -4.35 117.38 111.24 2yrn n GLN 126 Ca -0.12 -0.92 0.00 0.00 -2.00 0.00 0.00 57.00 53.96 2yrn n GLN 126 Cb 0.60 -3.64 0.00 0.00 -4.06 0.00 0.00 30.24 23.14 2yrn n GLN 126 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2yrn n GLN 127 N 8.62 0.00 -1.48 3.69 1.13 -1.26 -4.79 117.38 123.29 2yrn n GLN 127 Ca 0.47 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 55.11 2yrn n GLN 127 Cb 0.42 -0.25 0.01 0.00 0.11 0.00 0.00 30.24 30.53 2yrn n GLN 127 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2yrn n GLN 128 N -2.83 0.70 0.00 -1.09 10.64 -1.26 -5.23 117.38 118.31 2yrn n GLN 128 Ca 0.00 0.25 0.08 0.00 -1.83 0.00 0.00 57.00 55.50 2yrn n GLN 128 Cb 0.23 -1.59 0.46 0.00 -0.86 0.00 0.00 30.24 28.47 2yrn n GLN 128 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88