#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 5.79 0.28 1.61 0.01 -1.26 -5.06 113.70 115.07 2yrn s SER 2 Ca 0.00 -3.40 0.10 0.00 1.31 0.00 0.00 55.95 53.96 2yrn s SER 2 Cb 0.00 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 2yrn s SER 2 CO 0.00 -0.26 -0.03 -0.55 0.41 0.00 0.00 173.24 172.81 2yrn s SER 3 N 0.22 4.35 -0.33 2.44 0.15 -1.26 -5.06 113.70 114.22 2yrn s SER 3 Ca 0.24 -0.74 0.07 0.00 0.70 0.00 0.00 55.95 56.21 2yrn s SER 3 Cb -0.12 -0.72 0.27 0.00 -1.71 0.00 0.00 66.02 63.74 2yrn s SER 3 CO -0.09 -0.02 1.24 0.61 1.20 0.00 0.00 173.24 176.17 2yrn n GLY 4 N -0.86 0.67 3.18 9.45 0.00 -1.26 -5.14 105.19 111.24 2yrn n GLY 4 Ca -0.06 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 2yrn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrn s SER 5 N -0.80 2.18 0.35 1.61 0.01 -1.26 -5.14 113.70 110.65 2yrn s SER 5 Ca 0.13 -0.34 -0.11 0.00 1.31 0.00 0.00 55.95 56.94 2yrn s SER 5 Cb 0.28 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.27 2yrn s SER 5 CO -0.07 0.23 0.64 -0.44 0.41 0.00 0.00 173.24 174.01 2yrn s SER 6 N -0.41 0.30 0.00 2.44 0.01 -1.26 -5.10 113.70 109.67 2yrn s SER 6 Ca 0.07 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2yrn s SER 6 Cb -0.07 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.90 2yrn s SER 6 CO -0.01 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.79 2yrn n GLY 7 N -0.52 0.93 3.56 3.44 0.00 -1.26 -5.07 105.19 106.27 2yrn n GLY 7 Ca -0.04 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 3.11 -0.22 1.61 1.02 -1.26 -5.09 119.74 118.91 2yrn s LYS 8 Ca 0.00 -0.53 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 2yrn s LYS 8 Cb 0.00 -2.72 0.07 0.00 -0.52 0.00 0.00 37.83 34.66 2yrn s LYS 8 CO 0.00 0.51 0.06 1.03 -0.92 0.00 0.00 175.35 176.03 2yrn s ARG 9 N -0.38 0.56 0.57 1.68 0.52 -1.26 -5.13 118.95 115.51 2yrn s ARG 9 Ca 0.06 -0.50 -0.21 0.00 -0.52 0.00 0.00 55.73 54.56 2yrn s ARG 9 Cb -0.12 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 2yrn s ARG 9 CO 0.02 -0.73 1.32 0.15 0.02 0.00 0.00 175.30 176.08 2yrn s LYS 10 N 1.87 3.02 0.08 3.54 1.02 -1.26 -4.94 119.74 123.07 2yrn s LYS 10 Ca 0.02 2.13 -0.31 0.00 0.02 0.00 0.00 55.97 57.83 2yrn s LYS 10 Cb -0.17 -2.13 -0.07 0.00 -0.52 0.00 0.00 37.83 34.94 2yrn s LYS 10 CO -0.13 -1.25 1.39 -1.25 -0.92 0.00 0.00 175.35 173.18 2yrn s PRO 11 N -3.05 4.32 0.03 -1.68 0.04 -1.26 -5.03 135.00 128.37 2yrn s PRO 11 Ca 0.74 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.83 2yrn s PRO 11 Cb -0.38 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 2yrn s PRO 11 CO 0.44 -0.47 -0.06 0.54 0.04 0.00 0.00 177.00 177.49 2yrn s VAL 12 N 1.48 0.40 -0.05 -0.36 0.11 -1.26 -5.16 120.40 115.56 2yrn s VAL 12 Ca 0.64 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2yrn s VAL 12 Cb -0.35 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 2yrn s VAL 12 CO 0.29 -0.32 0.04 -0.63 -3.33 0.00 0.00 175.10 171.15 2yrn s ILE 13 N -1.15 4.54 -0.73 7.04 1.01 -1.26 -5.07 121.20 125.58 2yrn s ILE 13 Ca -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 2yrn s ILE 13 Cb -0.08 -2.99 0.18 0.00 0.01 0.00 0.00 42.46 39.58 2yrn s ILE 13 CO -0.00 0.48 0.56 -1.00 0.00 0.00 0.00 174.94 174.98 2yrn s HIS 14 N -1.04 3.59 0.97 3.97 3.76 -1.26 -5.03 115.29 120.25 2yrn s HIS 14 Ca 0.18 -2.95 -0.15 0.00 -0.15 0.00 0.00 55.06 51.99 2yrn s HIS 14 Cb -0.12 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.42 2yrn s HIS 14 CO 0.08 -0.75 -0.06 0.41 -0.85 0.00 0.00 174.74 173.56 2yrn n GLY 15 N 2.82 -2.97 0.29 -2.22 0.00 -1.26 -3.73 105.19 98.12 2yrn n GLY 15 Ca 0.14 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 0.42 -0.32 -0.21 0.99 4.77 -1.26 0.19 117.00 121.58 2yrn n LEU 16 Ca 0.03 1.35 -0.07 0.00 -0.03 0.00 0.00 56.01 57.30 2yrn n LEU 16 Cb 0.55 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2yrn n LEU 16 CO 0.51 -1.28 1.00 -0.33 -1.33 0.00 0.00 177.39 175.96 2yrn h GLU 17 N 0.00 0.87 -0.83 3.23 4.39 -2.02 -2.65 114.58 117.57 2yrn h GLU 17 Ca 0.36 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 2yrn h GLU 17 Cb 0.55 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 2yrn h GLU 17 CO -0.80 0.73 0.50 -0.44 -1.16 0.00 0.00 179.01 177.83 2yrn h ASP 18 N 0.82 0.99 -0.52 1.42 3.32 0.18 -2.60 116.42 120.04 2yrn h ASP 18 Ca 0.20 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.23 2yrn h ASP 18 Cb 0.16 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2yrn h ASP 18 CO -0.02 0.76 0.28 1.56 -1.72 0.00 0.00 179.24 180.10 2yrn h GLN 19 N 1.14 0.52 -0.90 3.56 4.20 -0.33 -2.47 115.11 120.83 2yrn h GLN 19 Ca 0.30 -0.03 0.21 0.00 0.06 0.00 0.00 58.65 59.18 2yrn h GLN 19 Cb -0.05 -0.12 -0.17 0.00 0.30 0.00 0.00 27.48 27.45 2yrn h GLN 19 CO -0.06 0.34 -0.10 -0.22 -0.67 0.00 0.00 178.83 178.13 2yrn h LYS 20 N 0.54 0.03 0.38 1.46 3.64 -1.30 0.33 116.57 121.64 2yrn h LYS 20 Ca 0.23 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2yrn h LYS 20 Cb 0.11 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2yrn h LYS 20 CO -0.15 0.02 -0.18 -0.09 -2.27 0.00 0.00 179.45 176.78 2yrn h ARG 21 N 0.03 -0.49 -0.90 1.90 9.65 -1.53 0.31 114.38 123.35 2yrn h ARG 21 Ca 0.48 0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.55 2yrn h ARG 21 Cb 0.85 0.11 -0.16 0.00 -1.39 0.00 0.00 29.97 29.38 2yrn h ARG 21 CO -0.87 -0.27 -0.32 0.82 2.80 0.00 0.00 179.97 182.13 2yrn h ILE 22 N -0.62 0.06 -0.02 1.20 2.04 -0.81 0.02 117.51 119.39 2yrn h ILE 22 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2yrn h ILE 22 Cb 0.45 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2yrn h ILE 22 CO 0.09 0.00 -0.01 1.88 0.00 0.00 0.00 178.15 180.10 2yrn h TYR 23 N -0.03 0.06 -0.92 1.37 0.05 -1.28 -2.26 116.97 113.96 2yrn h TYR 23 Ca 0.36 -0.01 0.26 0.00 0.05 0.00 0.00 58.73 59.38 2yrn h TYR 23 Cb 0.62 -0.01 -0.16 0.00 1.01 0.00 0.00 36.73 38.18 2yrn h TYR 23 CO -0.78 0.46 0.15 1.15 -1.05 0.00 0.00 178.16 178.09 2yrn h THR 24 N -0.37 0.17 -0.11 -2.88 2.02 0.84 0.51 112.91 113.10 2yrn h THR 24 Ca 0.00 -0.03 -0.21 0.00 0.77 0.00 0.00 66.41 66.94 2yrn h THR 24 Cb 0.45 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2yrn h THR 24 CO 0.00 0.02 -0.79 -0.78 0.37 0.00 0.00 175.52 174.34 2yrn h ASP 25 N 0.09 0.77 -0.61 4.18 1.82 -1.08 -1.80 116.42 119.80 2yrn h ASP 25 Ca 0.58 -0.52 0.05 0.00 -0.39 0.00 0.00 57.03 56.75 2yrn h ASP 25 Cb 1.21 -0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.94 2yrn h ASP 25 CO -0.78 1.30 0.32 -0.25 -1.61 0.00 0.00 179.24 178.22 2yrn h TRP 26 N 0.43 0.59 -0.04 0.28 7.01 0.54 -2.27 115.95 122.50 2yrn h TRP 26 Ca -0.05 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.86 2yrn h TRP 26 Cb 1.41 -0.18 0.01 0.00 -2.10 0.00 0.00 29.16 28.30 2yrn h TRP 26 CO 0.07 0.28 -0.41 0.00 -2.79 0.00 0.00 178.44 175.60 2yrn h ALA 27 N 1.32 0.10 -0.98 2.65 0.00 -0.98 -3.26 119.26 118.11 2yrn h ALA 27 Ca 0.27 -0.49 0.28 0.00 0.00 0.00 0.00 54.91 54.97 2yrn h ALA 27 Cb 0.17 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.83 2yrn h ALA 27 CO -0.18 0.23 0.52 -0.91 0.00 0.00 0.00 179.25 178.92 2yrn h ASN 28 N -0.18 0.49 -0.92 0.00 2.35 -1.08 0.41 115.58 116.65 2yrn h ASN 28 Ca -0.04 0.17 0.14 0.00 -0.55 0.00 0.00 56.30 56.02 2yrn h ASN 28 Cb 1.09 0.12 -0.09 0.00 0.05 0.00 0.00 38.32 39.49 2yrn h ASN 28 CO 0.08 -0.06 0.53 -0.74 -1.65 0.00 0.00 177.43 175.60 2yrn h HIS 29 N 0.39 0.94 0.00 1.19 -0.00 -1.45 0.40 115.15 116.62 2yrn h HIS 29 Ca 0.67 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 61.05 2yrn h HIS 29 Cb 1.42 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 28.54 2yrn h HIS 29 CO -0.05 0.29 -0.11 1.88 -0.00 0.00 0.00 177.93 179.93 2yrn h TYR 30 N 0.77 0.00 0.14 5.26 0.05 -0.33 -1.89 116.97 120.98 2yrn h TYR 30 Ca 0.49 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.95 2yrn h TYR 30 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 2yrn h TYR 30 CO -0.05 0.11 -1.55 -0.07 -1.05 0.00 0.00 178.16 175.56 2yrn h LEU 31 N 0.00 0.48 -0.27 3.88 3.38 -0.02 -3.14 115.31 119.62 2yrn h LEU 31 Ca -0.00 -0.64 -0.10 0.00 0.09 0.00 0.00 57.88 57.23 2yrn h LEU 31 Cb 0.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2yrn h LEU 31 CO 0.01 1.53 -0.48 0.00 0.09 0.00 0.00 178.44 179.60 2yrn h ALA 32 N 0.40 0.75 -0.02 1.53 0.00 -0.37 0.10 119.26 121.65 2yrn h ALA 32 Ca -0.26 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 2yrn h ALA 32 Cb 2.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2yrn h ALA 32 CO 0.18 0.60 -0.85 1.57 0.00 0.00 0.00 179.25 180.75 2yrn h LYS 33 N 0.00 0.34 -0.93 0.00 2.10 -1.45 -3.13 116.57 113.51 2yrn h LYS 33 Ca -0.00 -0.33 -0.22 0.00 -2.00 0.00 0.00 60.65 58.09 2yrn h LYS 33 Cb 1.26 0.09 -0.13 0.00 -0.90 0.00 0.00 32.23 32.54 2yrn h LYS 33 CO 0.06 1.01 0.28 0.45 -2.00 0.00 0.00 179.45 179.25 2yrn n SER 34 N -3.75 3.56 -3.46 7.07 2.88 -1.19 -4.91 113.62 113.82 2yrn n SER 34 Ca -0.05 -2.85 -0.17 0.00 -1.33 0.00 0.00 58.87 54.47 2yrn n SER 34 Cb 0.78 -0.68 0.02 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.24 -1.18 2.97 0.46 0.00 -1.18 -4.97 105.19 101.04 2yrn n GLY 35 Ca 0.30 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.16 3.40 0.13 1.61 5.04 0.02 -5.00 115.29 117.32 2yrn s HIS 36 Ca 0.17 -3.03 -0.28 0.00 -1.54 0.00 0.00 55.06 50.38 2yrn s HIS 36 Cb -0.05 -2.81 -0.08 0.00 0.04 0.00 0.00 32.58 29.67 2yrn s HIS 36 CO 0.82 -0.85 1.47 0.87 -2.34 0.00 0.00 174.74 174.72 2yrn h LYS 37 N 7.11 -0.18 -6.92 2.88 1.57 -1.93 -3.41 116.57 115.68 2yrn h LYS 37 Ca -0.06 0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.18 2yrn h LYS 37 Cb 0.96 0.04 0.13 0.00 0.08 0.00 0.00 32.23 33.44 2yrn h LYS 37 CO 0.59 -0.12 0.55 -2.13 -0.57 0.00 0.00 179.45 177.77 2yrn n ARG 38 N -5.00 1.88 -3.55 3.15 0.63 -1.26 -5.02 116.66 107.49 2yrn n ARG 38 Ca -0.01 0.68 -0.18 0.00 -0.92 0.00 0.00 57.85 57.42 2yrn n ARG 38 Cb 0.27 -2.48 -0.04 0.00 0.45 0.00 0.00 32.46 30.65 2yrn n ARG 38 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2yrn n LEU 39 N -0.27 0.00 -4.58 6.15 4.77 -1.26 -4.90 117.00 116.91 2yrn n LEU 39 Ca 0.08 -1.90 -0.38 0.00 -0.03 0.00 0.00 56.01 53.78 2yrn n LEU 39 Cb 0.42 0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 41.75 2yrn n LEU 39 CO 0.57 -0.28 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.54 2yrn s ILE 40 N -2.22 5.17 -0.08 -0.08 1.01 -1.26 -4.98 121.20 118.75 2yrn s ILE 40 Ca 0.04 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 2yrn s ILE 40 Cb 0.00 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 2yrn s ILE 40 CO 0.03 0.27 -0.13 0.54 0.00 0.00 0.00 174.94 175.65 2yrn n ARG 41 N 4.95 0.25 -3.75 2.79 3.00 -1.26 -4.86 116.66 117.79 2yrn n ARG 41 Ca -0.14 0.27 -0.37 0.00 -0.01 0.00 0.00 57.85 57.60 2yrn n ARG 41 Cb 0.52 -1.13 -0.11 0.00 0.00 0.00 0.00 32.46 31.74 2yrn n ARG 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2yrn s ASP 42 N -4.82 5.29 0.62 0.55 1.11 -1.26 -4.94 116.67 113.23 2yrn s ASP 42 Ca -0.11 -2.17 0.20 0.00 0.18 0.00 0.00 52.55 50.65 2yrn s ASP 42 Cb 0.02 -1.85 0.77 0.00 1.07 0.00 0.00 42.92 42.93 2yrn s ASP 42 CO 0.16 -0.53 1.32 0.25 1.18 0.00 0.00 175.17 177.56 2yrn h LEU 43 N 7.90 0.00 0.10 1.23 5.85 -1.89 1.66 115.31 130.16 2yrn h LEU 43 Ca -0.12 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.31 2yrn h LEU 43 Cb 1.03 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.09 2yrn h LEU 43 CO 0.71 0.00 -1.20 1.56 -0.34 0.00 0.00 178.44 179.17 2yrn h GLN 44 N 0.00 0.64 0.03 1.25 4.20 -1.92 -3.32 115.11 116.00 2yrn h GLN 44 Ca 0.29 -0.82 -0.18 0.00 0.06 0.00 0.00 58.65 58.00 2yrn h GLN 44 Cb 2.34 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 30.37 2yrn h GLN 44 CO -0.00 1.37 -0.97 1.96 -0.67 0.00 0.00 178.83 180.52 2yrn h GLN 45 N 0.29 0.07 -0.64 1.46 4.20 0.19 -3.34 115.11 117.34 2yrn h GLN 45 Ca -0.18 -0.11 0.19 0.00 0.06 0.00 0.00 58.65 58.60 2yrn h GLN 45 Cb 1.87 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.67 2yrn h GLN 45 CO 0.23 1.05 1.03 0.38 -0.67 0.00 0.00 178.83 180.85 2yrn h ASP 46 N -0.81 0.00 -1.04 1.46 2.03 -0.48 1.18 116.42 118.76 2yrn h ASP 46 Ca -0.24 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.46 2yrn h ASP 46 Cb 1.35 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.46 2yrn h ASP 46 CO -0.08 0.00 -0.34 1.33 -1.03 0.00 0.00 179.24 179.12 2yrn n VAL 47 N -3.09 2.79 -0.02 4.15 0.24 -1.25 -3.60 118.33 117.55 2yrn n VAL 47 Ca 0.14 -4.13 -0.16 0.00 -2.04 0.00 0.00 64.34 58.16 2yrn n VAL 47 Cb 1.23 -1.18 -0.14 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.69 1.68 0.53 3.34 -2.24 0.41 -4.09 114.28 113.22 2yrn n THR 48 Ca 0.47 -0.71 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 2yrn n THR 48 Cb 0.80 -1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 67.55 2yrn n THR 48 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2yrn n ASP 49 N -3.26 0.88 0.00 3.42 9.92 -1.26 -4.46 116.55 121.79 2yrn n ASP 49 Ca -0.27 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 2yrn n ASP 49 Cb 1.05 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 42.69 2yrn n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2yrn n GLY 50 N 1.41 2.90 0.00 0.44 0.00 -1.26 -4.15 105.19 104.53 2yrn n GLY 50 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.92 0.00 -0.24 1.61 0.31 -1.26 -0.28 118.33 117.55 2yrn n VAL 51 Ca 0.00 1.48 0.16 0.00 -0.01 0.00 0.00 64.34 65.97 2yrn n VAL 51 Cb 0.00 -2.25 0.45 0.00 -0.91 0.00 0.00 33.84 31.14 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 0.51 -0.31 7.52 6.46 -1.91 -0.66 115.31 126.92 2yrn h LEU 52 Ca 0.00 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2yrn h LEU 52 Cb 0.00 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 2yrn h LEU 52 CO 0.00 0.23 0.20 0.25 -0.62 0.00 0.00 178.44 178.50 2yrn h LEU 53 N 0.53 0.34 -0.91 2.25 5.85 -1.45 -2.51 115.31 119.40 2yrn h LEU 53 Ca 0.45 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 59.07 2yrn h LEU 53 Cb 0.94 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2yrn h LEU 53 CO -0.19 0.24 -0.28 0.00 -0.34 0.00 0.00 178.44 177.88 2yrn h ALA 54 N 1.12 1.08 -0.99 1.25 0.00 0.80 -2.81 119.26 119.71 2yrn h ALA 54 Ca 0.12 -0.36 0.29 0.00 0.00 0.00 0.00 54.91 54.96 2yrn h ALA 54 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2yrn h ALA 54 CO -0.04 0.57 0.88 1.96 0.00 0.00 0.00 179.25 182.63 2yrn h GLN 55 N 0.42 0.00 0.00 0.00 4.20 -0.79 -1.40 115.11 117.53 2yrn h GLN 55 Ca 0.06 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2yrn h GLN 55 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 2yrn h GLN 55 CO 0.05 0.00 -0.88 -0.89 -0.67 0.00 0.00 178.83 176.44 2yrn n ILE 56 N -3.77 1.46 -0.33 2.54 -0.00 -1.07 -4.11 119.36 114.08 2yrn n ILE 56 Ca 0.21 0.13 0.04 0.00 -0.00 0.00 0.00 62.75 63.13 2yrn n ILE 56 Cb 1.21 -2.32 0.11 0.00 -0.00 0.00 0.00 39.64 38.63 2yrn n ILE 56 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2yrn n ILE 57 N -4.52 -0.40 -0.26 1.39 5.41 -0.88 0.15 119.36 120.26 2yrn n ILE 57 Ca -0.15 2.05 0.02 0.00 1.00 0.00 0.00 62.75 65.68 2yrn n ILE 57 Cb 0.43 -2.81 0.15 0.00 -0.71 0.00 0.00 39.64 36.70 2yrn n ILE 57 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2yrn h GLN 58 N 0.00 0.62 0.35 0.38 4.20 -1.44 0.59 115.11 119.82 2yrn h GLN 58 Ca 0.40 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.06 2yrn h GLN 58 Cb 0.62 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2yrn h GLN 58 CO -0.91 0.41 -0.17 0.28 -0.67 0.00 0.00 178.83 177.77 2yrn h VAL 59 N 0.64 0.00 -0.79 -0.54 2.07 0.12 1.30 116.25 119.06 2yrn h VAL 59 Ca 0.37 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.84 2yrn h VAL 59 Cb 0.38 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 2yrn h VAL 59 CO -0.27 0.00 0.54 1.62 0.02 0.00 0.00 177.57 179.48 2yrn h VAL 60 N -0.72 0.69 0.00 2.57 3.04 -0.83 0.26 116.25 121.26 2yrn h VAL 60 Ca -0.05 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2yrn h VAL 60 Cb 0.36 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 2yrn h VAL 60 CO 0.08 0.04 -0.93 0.00 -1.01 0.00 0.00 177.57 175.75 2yrn h ALA 61 N 1.63 0.52 -3.65 3.17 0.00 0.20 -3.48 119.26 117.65 2yrn h ALA 61 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.03 2yrn h ALA 61 Cb 1.18 0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.04 2yrn h ALA 61 CO -0.09 0.00 -0.43 0.09 0.00 0.00 0.00 179.25 178.82 2yrn n ASN 62 N -2.63 -4.78 -4.08 0.00 4.13 0.41 -5.02 115.26 103.29 2yrn n ASN 62 Ca 0.00 -0.27 -0.10 0.00 1.68 0.00 0.00 54.58 55.90 2yrn n ASN 62 Cb 0.54 -3.52 -0.08 0.00 -1.54 0.00 0.00 39.78 35.17 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2yrn s GLU 63 N -5.57 1.14 -0.10 3.52 2.56 0.12 -5.00 118.70 115.37 2yrn s GLU 63 Ca 0.29 -1.37 0.03 0.00 0.00 0.00 0.00 54.97 53.91 2yrn s GLU 63 Cb -0.13 0.32 -0.01 0.00 2.00 0.00 0.00 34.13 36.31 2yrn s GLU 63 CO 0.36 -0.39 -0.19 0.21 -0.56 0.00 0.00 175.26 174.69 2yrn s LYS 64 N -4.04 3.08 -0.30 4.30 2.20 -1.26 -4.16 119.74 119.55 2yrn s LYS 64 Ca 0.25 -0.79 -0.19 0.00 -0.36 0.00 0.00 55.97 54.88 2yrn s LYS 64 Cb 0.05 -2.42 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 2yrn s LYS 64 CO 0.04 0.25 0.56 0.42 -0.36 0.00 0.00 175.35 176.27 2yrn s ILE 65 N 0.20 5.00 -0.69 5.43 1.01 -1.26 -4.92 121.20 125.97 2yrn s ILE 65 Ca -0.11 0.71 0.25 0.00 0.00 0.00 0.00 60.65 61.50 2yrn s ILE 65 Cb -0.16 -3.93 0.22 0.00 0.01 0.00 0.00 42.46 38.60 2yrn s ILE 65 CO 0.06 -0.09 1.64 -0.33 0.00 0.00 0.00 174.94 176.22 2yrn h GLU 66 N 8.22 0.00 -1.29 2.79 5.08 -1.99 -3.29 114.58 124.10 2yrn h GLU 66 Ca -0.28 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.80 2yrn h GLU 66 Cb 1.13 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.24 2yrn h GLU 66 CO 0.76 0.00 0.36 -0.25 -1.00 0.00 0.00 179.01 178.88 2yrn n ASP 67 N -2.28 5.02 -4.20 1.42 9.92 -1.26 -4.81 116.55 120.36 2yrn n ASP 67 Ca 0.05 -2.90 -0.35 0.00 -0.53 0.00 0.00 54.79 51.05 2yrn n ASP 67 Cb 0.44 -0.88 -0.14 0.00 -0.64 0.00 0.00 41.12 39.91 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2yrn s ILE 68 N -1.89 3.13 0.14 0.53 -1.09 -1.24 -4.54 121.20 116.24 2yrn s ILE 68 Ca 0.28 -1.25 -0.28 0.00 -2.23 0.00 0.00 60.65 57.16 2yrn s ILE 68 Cb 0.23 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 2yrn s ILE 68 CO 0.02 -0.06 1.58 -1.13 -1.23 0.00 0.00 174.94 174.12 2yrn h ASN 69 N 8.04 -1.39 0.00 3.58 -1.24 -1.91 -3.47 115.58 119.20 2yrn h ASN 69 Ca -0.24 0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2yrn h ASN 69 Cb 1.07 0.58 0.00 0.00 0.73 0.00 0.00 38.32 40.71 2yrn h ASN 69 CO 0.55 -0.40 0.00 0.61 -1.29 0.00 0.00 177.43 176.90 2yrn n GLY 70 N -1.42 2.87 2.32 1.57 0.00 -1.26 -4.88 105.19 104.39 2yrn n GLY 70 Ca -0.03 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.31 4.37 0.00 0.00 0.04 -1.26 -4.91 135.00 131.93 2yrn s PRO 72 Ca 0.35 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2yrn s PRO 72 Cb 0.13 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2yrn s PRO 72 CO -0.10 -0.31 0.00 0.36 0.04 0.00 0.00 177.00 176.99 2yrn n LYS 73 N 3.11 1.92 -1.09 4.56 0.00 -1.26 -4.78 118.16 120.62 2yrn n LYS 73 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.10 2yrn n LYS 73 Cb 0.43 -0.91 0.20 0.00 -0.00 0.00 0.00 35.03 34.75 2yrn n LYS 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2yrn s ASN 74 N -3.12 2.15 0.07 -5.58 2.47 -1.26 -4.94 114.94 104.73 2yrn s ASN 74 Ca 0.00 1.13 -0.24 0.00 0.42 0.00 0.00 52.86 54.17 2yrn s ASN 74 Cb 0.00 -1.77 -0.16 0.00 -1.45 0.00 0.00 41.25 37.87 2yrn s ASN 74 CO 0.00 -3.42 1.64 -0.09 -3.72 0.00 0.00 177.10 171.51 2yrn h ARG 75 N -2.09 -0.09 0.03 0.43 9.65 -2.02 -3.14 114.38 117.14 2yrn h ARG 75 Ca -0.55 0.01 -0.24 0.00 -1.10 0.00 0.00 59.98 58.10 2yrn h ARG 75 Cb 1.33 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.91 2yrn h ARG 75 CO 0.55 0.02 -1.17 0.66 2.80 0.00 0.00 179.97 182.83 2yrn h SER 76 N -0.18 0.09 -1.14 -3.80 4.64 -2.00 -3.32 113.55 107.82 2yrn h SER 76 Ca -0.01 -0.10 0.43 0.00 -0.47 0.00 0.00 61.79 61.64 2yrn h SER 76 Cb 0.16 -0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 62.06 2yrn h SER 76 CO 0.02 1.08 0.68 1.56 -0.87 0.00 0.00 176.83 179.29 2yrn h GLN 77 N 0.01 0.05 0.05 4.77 1.08 -1.91 1.53 115.11 120.70 2yrn h GLN 77 Ca -0.08 -0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.88 2yrn h GLN 77 Cb 1.85 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 2yrn h GLN 77 CO 0.14 0.03 -1.05 0.52 -0.95 0.00 0.00 178.83 177.52 2yrn h MET 78 N 0.05 0.31 0.20 1.46 2.86 -1.66 -3.33 114.93 114.82 2yrn h MET 78 Ca 0.84 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 58.08 2yrn h MET 78 Cb 2.38 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 34.15 2yrn h MET 78 CO -0.63 1.12 -0.25 0.82 1.06 0.00 0.00 176.91 179.04 2yrn h ILE 79 N 0.14 0.46 -0.76 -1.22 1.08 0.20 -2.92 117.51 114.49 2yrn h ILE 79 Ca -0.09 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.48 2yrn h ILE 79 Cb 1.72 0.46 -0.12 0.00 -3.07 0.00 0.00 36.82 35.82 2yrn h ILE 79 CO 0.17 0.00 -0.47 -0.33 -0.69 0.00 0.00 178.15 176.84 2yrn h GLU 80 N -0.50 -0.13 0.00 2.37 5.08 -1.46 -0.96 114.58 118.98 2yrn h GLU 80 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2yrn h GLU 80 Cb 0.48 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2yrn h GLU 80 CO -0.09 -0.09 0.00 0.09 -1.00 0.00 0.00 179.01 177.93 2yrn n ASN 81 N -5.38 0.00 -0.34 1.42 4.13 -1.11 0.23 115.26 114.21 2yrn n ASN 81 Ca 0.03 0.91 0.23 0.00 1.68 0.00 0.00 54.58 57.43 2yrn n ASN 81 Cb 0.34 -0.43 0.48 0.00 -1.54 0.00 0.00 39.78 38.64 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 0.47 -0.09 2.41 2.04 -1.42 0.67 117.51 121.58 2yrn h ILE 82 Ca 0.00 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2yrn h ILE 82 Cb 0.00 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 2yrn h ILE 82 CO 0.00 0.08 0.02 -0.78 0.00 0.00 0.00 178.15 177.47 2yrn h ASP 83 N 0.41 0.01 -0.67 1.72 3.58 0.11 -2.31 116.42 119.28 2yrn h ASP 83 Ca 0.64 0.01 0.12 0.00 0.42 0.00 0.00 57.03 58.23 2yrn h ASP 83 Cb 1.54 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 42.51 2yrn h ASP 83 CO -0.38 0.02 0.20 0.00 -2.88 0.00 0.00 179.24 176.21 2yrn h ALA 84 N 1.06 0.86 -0.70 -0.78 0.00 0.16 -0.23 119.26 119.63 2yrn h ALA 84 Ca 0.04 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2yrn h ALA 84 Cb 0.03 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2yrn h ALA 84 CO -0.05 -0.26 0.45 0.00 0.00 0.00 0.00 179.25 179.39 2yrn h LEU 86 N 0.91 0.55 -0.65 0.00 3.38 -0.63 0.05 115.31 118.92 2yrn h LEU 86 Ca 0.27 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2yrn h LEU 86 Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2yrn h LEU 86 CO -0.08 0.57 -0.43 0.78 0.09 0.00 0.00 178.44 179.37 2yrn h ASN 87 N 0.50 0.59 -0.50 -0.43 2.35 -0.73 -1.79 115.58 115.56 2yrn h ASN 87 Ca 0.13 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.49 2yrn h ASN 87 Cb 0.19 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2yrn h ASN 87 CO -0.01 0.94 -0.15 0.15 -1.65 0.00 0.00 177.43 176.71 2yrn h PHE 88 N 0.45 1.11 -0.30 1.19 3.04 0.02 -2.90 116.94 119.54 2yrn h PHE 88 Ca 0.03 -0.25 -0.11 0.00 3.98 0.00 0.00 57.97 61.63 2yrn h PHE 88 Cb 0.94 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 2yrn h PHE 88 CO 0.04 1.06 -0.24 -0.07 -2.02 0.00 0.00 178.31 177.08 2yrn h LEU 89 N 0.84 0.73 -0.59 0.59 3.38 -0.91 -3.18 115.31 116.17 2yrn h LEU 89 Ca 0.12 -0.45 0.10 0.00 0.09 0.00 0.00 57.88 57.75 2yrn h LEU 89 Cb 0.72 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2yrn h LEU 89 CO 0.06 1.02 0.16 0.00 0.09 0.00 0.00 178.44 179.77 2yrn h ALA 90 N 0.73 0.72 0.00 1.53 0.00 -1.28 0.28 119.26 121.24 2yrn h ALA 90 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2yrn h ALA 90 Cb 0.79 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2yrn h ALA 90 CO 0.06 -0.27 0.18 0.00 0.00 0.00 0.00 179.25 179.22 2yrn h ALA 91 N 1.45 1.17 0.00 0.00 0.00 -1.48 0.48 119.26 120.88 2yrn h ALA 91 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2yrn h ALA 91 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2yrn h ALA 91 CO -0.36 -0.17 -0.75 0.87 0.00 0.00 0.00 179.25 178.83 2yrn h LYS 92 N 0.00 0.00 0.00 0.00 1.79 -0.51 -3.47 116.57 114.37 2yrn h LYS 92 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2yrn h LYS 92 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 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 1.25 1.97 3.49 3.86 0.00 0.17 -5.13 105.19 110.80 2yrn n GLY 93 Ca 0.02 0.00 -0.33 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 3.28 -0.04 -0.61 1.01 -1.17 -5.01 121.20 116.66 2yrn s ILE 94 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2yrn s ILE 94 Cb 0.00 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2yrn s ILE 94 CO 0.00 0.58 1.28 0.21 0.00 0.00 0.00 174.94 177.01 2yrn s ASN 95 N -0.52 6.96 0.00 3.58 3.84 -1.26 -3.82 114.94 123.73 2yrn s ASN 95 Ca 0.07 1.92 0.00 0.00 0.21 0.00 0.00 52.86 55.07 2yrn s ASN 95 Cb -0.12 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 2yrn s ASN 95 CO 0.02 -0.65 0.00 2.30 -2.79 0.00 0.00 177.10 175.98 2yrn n ILE 96 N 4.69 0.00 -0.27 -5.21 -5.35 -1.26 -4.78 119.36 107.18 2yrn n ILE 96 Ca 0.12 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.63 2yrn n ILE 96 Cb 0.45 -0.79 0.08 0.00 -1.74 0.00 0.00 39.64 37.64 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 -1.85 -0.10 -0.18 6.28 1.13 -1.26 0.16 117.38 121.55 2yrn n GLN 97 Ca 0.00 1.14 -0.03 0.00 -1.94 0.00 0.00 57.00 56.17 2yrn n GLN 97 Cb 0.43 -1.70 0.07 0.00 0.11 0.00 0.00 30.24 29.15 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 0.76 -1.18 1.08 0.00 -2.01 -3.43 103.07 98.29 2yrn h GLY 98 Ca 0.32 -0.16 -0.43 0.00 0.00 0.00 0.00 47.33 47.05 2yrn h GLY 98 CO -0.75 0.08 -0.26 1.04 0.00 0.00 0.00 176.54 176.66 2yrn n LEU 99 N -4.91 -2.03 -3.46 3.11 4.77 0.41 -5.05 117.00 109.85 2yrn n LEU 99 Ca 0.06 -0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.70 2yrn n LEU 99 Cb 0.18 -1.18 -0.10 0.00 -2.33 0.00 0.00 43.42 39.99 2yrn n LEU 99 CO 0.27 -3.35 -0.09 -0.44 -1.33 0.00 0.00 177.39 172.44 2yrn s SER 100 N -2.27 0.49 0.19 -1.43 0.01 -1.26 -5.03 113.70 104.39 2yrn s SER 100 Ca 0.66 0.24 -0.18 0.00 1.31 0.00 0.00 55.95 57.98 2yrn s SER 100 Cb -0.23 0.91 0.15 0.00 0.21 0.00 0.00 66.02 67.06 2yrn s SER 100 CO 0.66 -0.29 1.61 0.00 0.41 0.00 0.00 173.24 175.63 2yrn h ALA 101 N 8.23 0.13 -0.12 1.44 0.00 -1.93 -1.28 119.26 125.73 2yrn h ALA 101 Ca -0.18 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2yrn h ALA 101 Cb 1.14 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 2yrn h ALA 101 CO 0.24 -0.57 -0.43 1.49 0.00 0.00 0.00 179.25 179.98 2yrn h GLU 102 N -0.11 -0.49 -0.20 0.00 4.81 -1.96 -1.12 114.58 115.50 2yrn h GLU 102 Ca 0.24 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 2yrn h GLU 102 Cb 0.49 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 2yrn h GLU 102 CO -0.60 -0.33 -0.37 0.93 -0.73 0.00 0.00 179.01 177.91 2yrn h GLU 103 N -0.51 -0.39 -0.80 1.92 4.39 -1.77 -0.95 114.58 116.46 2yrn h GLU 103 Ca 0.07 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.98 2yrn h GLU 103 Cb 0.64 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 29.25 2yrn h GLU 103 CO -0.40 -0.26 0.23 0.82 -1.16 0.00 0.00 179.01 178.25 2yrn h ILE 104 N -0.40 0.46 -0.37 3.13 2.04 -0.77 0.45 117.51 122.05 2yrn h ILE 104 Ca 0.10 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2yrn h ILE 104 Cb 0.58 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2yrn h ILE 104 CO -0.42 0.05 0.25 -0.09 0.00 0.00 0.00 178.15 177.94 2yrn h ARG 105 N 0.29 0.43 0.00 2.37 2.43 0.07 0.35 114.38 120.32 2yrn h ARG 105 Ca 0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2yrn h ARG 105 Cb 0.86 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2yrn h ARG 105 CO -0.55 0.28 0.00 -0.91 -1.51 0.00 0.00 179.97 177.29 2yrn h ASN 106 N 0.44 0.00 0.00 -3.80 2.35 0.56 -3.43 115.58 111.70 2yrn h ASN 106 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2yrn h ASN 106 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2yrn h ASN 106 CO -0.03 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.36 2yrn n GLY 107 N 0.65 0.85 3.55 2.83 0.00 0.11 -4.99 105.19 108.19 2yrn n GLY 107 Ca 0.03 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.64 5.43 0.12 1.61 2.47 -1.16 -4.80 114.94 115.98 2yrn s ASN 108 Ca 0.00 0.25 -0.23 0.00 0.42 0.00 0.00 52.86 53.30 2yrn s ASN 108 Cb 0.00 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 37.21 2yrn s ASN 108 CO 0.00 -2.27 1.27 -0.11 -3.72 0.00 0.00 177.10 172.27 2yrn n LEU 109 N 12.13 -0.78 -0.27 3.21 7.94 -1.26 0.12 117.00 138.09 2yrn n LEU 109 Ca 0.18 1.44 0.26 0.00 -1.11 0.00 0.00 56.01 56.78 2yrn n LEU 109 Cb 0.51 -0.24 0.49 0.00 0.53 0.00 0.00 43.42 44.71 2yrn n LEU 109 CO 0.71 -1.13 0.88 0.29 -1.11 0.00 0.00 177.39 177.03 2yrn n LYS 110 N -4.74 -0.05 0.02 1.96 4.76 -1.26 -0.25 118.16 118.59 2yrn n LYS 110 Ca 0.01 1.16 -0.01 0.00 -2.87 0.00 0.00 58.31 56.61 2yrn n LYS 110 Cb 0.19 -2.08 -0.01 0.00 -1.84 0.00 0.00 35.03 31.30 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 1.68 -0.34 -0.87 7.82 0.00 0.57 -3.13 119.26 125.00 2yrn h ALA 111 Ca 0.71 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.74 2yrn h ALA 111 Cb 1.86 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 19.53 2yrn h ALA 111 CO -0.65 -0.33 -0.38 0.82 0.00 0.00 0.00 179.25 178.71 2yrn h ILE 112 N -0.19 0.05 -0.67 0.00 5.03 -0.50 0.17 117.51 121.40 2yrn h ILE 112 Ca -0.01 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.86 2yrn h ILE 112 Cb 0.06 0.05 -0.13 0.00 -3.03 0.00 0.00 36.82 33.77 2yrn h ILE 112 CO 0.01 0.00 -0.23 -0.07 -0.68 0.00 0.00 178.15 177.18 2yrn h LEU 113 N -0.05 -0.83 -0.49 1.44 3.38 -0.77 0.22 115.31 118.21 2yrn h LEU 113 Ca 0.31 0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.57 2yrn h LEU 113 Cb 0.58 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 2yrn h LEU 113 CO -0.89 -0.26 0.13 1.23 0.09 0.00 0.00 178.44 178.74 2yrn h GLY 114 N -0.05 0.62 0.56 0.83 0.00 -0.61 0.57 103.07 104.98 2yrn h GLY 114 Ca 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 2yrn h GLY 114 CO -0.72 -0.03 -0.48 -2.00 0.00 0.00 0.00 176.54 173.31 2yrn h LEU 115 N 0.29 -1.29 -2.10 3.11 6.46 -0.46 -0.43 115.31 120.89 2yrn h LEU 115 Ca 0.24 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 2yrn h LEU 115 Cb 0.29 0.41 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2yrn h LEU 115 CO -0.28 -0.66 -0.08 -0.26 -0.62 0.00 0.00 178.44 176.54 2yrn h PHE 116 N -1.02 0.00 0.00 1.25 0.04 -1.14 0.22 116.94 116.29 2yrn h PHE 116 Ca -0.07 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.59 2yrn h PHE 116 Cb 0.86 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 2yrn h PHE 116 CO -0.21 0.08 -0.52 0.35 -0.60 0.00 0.00 178.31 177.41 2yrn h PHE 117 N 0.00 0.00 0.06 -0.55 3.04 0.89 -2.24 116.94 118.14 2yrn h PHE 117 Ca -0.00 0.00 -0.38 0.00 3.98 0.00 0.00 57.97 61.57 2yrn h PHE 117 Cb 0.22 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.68 2yrn h PHE 117 CO 0.00 0.52 -2.22 -1.13 -2.02 0.00 0.00 178.31 173.46 2yrn n SER 118 N -3.83 2.05 0.01 0.41 3.41 -0.24 -4.22 113.62 111.21 2yrn n SER 118 Ca -0.01 0.06 -0.11 0.00 -0.26 0.00 0.00 58.87 58.54 2yrn n SER 118 Cb 0.55 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.01 0.04 -1.95 1.04 5.85 -0.68 -1.85 115.31 117.76 2yrn h LEU 119 Ca -0.50 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.46 2yrn h LEU 119 Cb 1.95 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.94 2yrn h LEU 119 CO -0.01 0.04 0.60 0.77 -0.34 0.00 0.00 178.44 179.49 2yrn h SER 120 N 0.07 0.04 -0.22 1.25 4.64 -1.61 0.95 113.55 118.67 2yrn h SER 120 Ca 0.03 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.20 2yrn h SER 120 Cb 0.01 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2yrn h SER 120 CO -0.03 0.02 -0.47 0.03 -0.87 0.00 0.00 176.83 175.51 2yrn h ARG 121 N 0.04 0.71 -0.69 4.77 3.08 -1.51 -1.69 114.38 119.09 2yrn h ARG 121 Ca 0.40 -0.47 0.15 0.00 0.07 0.00 0.00 59.98 60.13 2yrn h ARG 121 Cb 1.55 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 31.54 2yrn h ARG 121 CO -0.02 1.09 -0.04 -0.92 -1.07 0.00 0.00 179.97 179.01 2yrn h TYR 122 N 0.43 -0.12 0.17 3.04 5.03 -0.52 -2.89 116.97 122.11 2yrn h TYR 122 Ca 0.00 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 2yrn h TYR 122 Cb 1.08 0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.52 2yrn h TYR 122 CO 0.09 -0.23 -0.08 -0.22 -1.32 0.00 0.00 178.16 176.40 2yrn h LYS 123 N 0.08 -0.22 -6.24 1.82 1.63 -1.57 -3.40 116.57 108.68 2yrn h LYS 123 Ca 0.36 0.01 -0.69 0.00 -0.85 0.00 0.00 60.65 59.49 2yrn h LYS 123 Cb 0.60 0.05 0.03 0.00 -0.60 0.00 0.00 32.23 32.31 2yrn h LYS 123 CO -0.62 -0.07 0.77 1.04 -3.45 0.00 0.00 179.45 177.11 2yrn n GLN 124 N -4.92 1.37 -2.66 1.90 6.02 -0.64 -0.65 117.38 117.81 2yrn n GLN 124 Ca -0.04 0.50 -0.09 0.00 -0.01 0.00 0.00 57.00 57.36 2yrn n GLN 124 Cb 0.13 -2.20 0.02 0.00 1.02 0.00 0.00 30.24 29.21 2yrn n GLN 124 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2yrn n GLN 125 N 4.40 -2.34 -2.47 -1.09 7.27 -1.26 -4.79 117.38 117.10 2yrn n GLN 125 Ca 0.22 0.37 -0.25 0.00 0.07 0.00 0.00 57.00 57.41 2yrn n GLN 125 Cb 0.19 -4.09 0.00 0.00 2.41 0.00 0.00 30.24 28.75 2yrn n GLN 125 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2yrn n GLN 126 N -2.17 3.27 -2.29 3.69 -0.06 0.18 -5.02 117.38 114.98 2yrn n GLN 126 Ca -0.04 -4.40 -0.40 0.00 -2.00 0.00 0.00 57.00 50.17 2yrn n GLN 126 Cb 0.54 -2.18 -0.03 0.00 -4.06 0.00 0.00 30.24 24.52 2yrn n GLN 126 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2yrn s GLN 127 N -3.52 2.90 0.33 3.69 -0.21 -1.26 -4.95 119.66 116.64 2yrn s GLN 127 Ca 0.47 0.19 -0.24 0.00 0.02 0.00 0.00 55.36 55.80 2yrn s GLN 127 Cb 0.40 -4.29 -0.16 0.00 1.00 0.00 0.00 33.01 29.97 2yrn s GLN 127 CO -0.16 -2.45 0.28 1.04 -2.12 0.00 0.00 175.29 171.88 2yrn n GLN 128 N 9.28 0.06 0.00 2.91 1.13 -1.26 -5.28 117.38 124.23 2yrn n GLN 128 Ca 0.12 0.02 0.08 0.00 -1.94 0.00 0.00 57.00 55.28 2yrn n GLN 128 Cb 0.51 -1.05 0.46 0.00 0.11 0.00 0.00 30.24 30.27 2yrn n GLN 128 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27