#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn h SER 2 N 0.00 -0.49 -5.29 1.61 0.87 -2.11 -3.47 113.55 104.67 2yrn h SER 2 Ca 0.00 -0.11 -0.34 0.00 -1.23 0.00 0.00 61.79 60.11 2yrn h SER 2 Cb 0.00 0.13 0.13 0.00 -0.44 0.00 0.00 62.40 62.22 2yrn h SER 2 CO 0.00 -0.12 -0.62 -0.24 -0.53 0.00 0.00 176.83 175.32 2yrn n SER 3 N -5.21 -5.05 0.00 6.23 2.88 -1.26 -4.68 113.62 106.53 2yrn n SER 3 Ca -0.10 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2yrn n SER 3 Cb 0.29 -4.54 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 2yrn n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 4 N -1.69 0.08 3.37 0.46 0.00 -1.26 -4.95 105.19 101.21 2yrn n GLY 4 Ca -0.05 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.38 2yrn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrn s SER 5 N -4.00 -0.77 -0.96 1.61 1.04 -1.26 -5.10 113.70 104.26 2yrn s SER 5 Ca 0.00 0.86 -0.21 0.00 0.48 0.00 0.00 55.95 57.09 2yrn s SER 5 Cb 0.00 1.80 0.09 0.00 0.10 0.00 0.00 66.02 68.01 2yrn s SER 5 CO 0.00 -0.15 1.27 -0.55 0.98 0.00 0.00 173.24 174.79 2yrn s SER 6 N 2.67 6.56 0.03 7.02 0.15 -1.26 -4.99 113.70 123.88 2yrn s SER 6 Ca 0.00 -1.75 0.09 0.00 0.70 0.00 0.00 55.95 54.99 2yrn s SER 6 Cb -0.09 -2.47 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2yrn s SER 6 CO -0.17 -1.27 -0.25 -0.83 1.20 0.00 0.00 173.24 171.91 2yrn s GLY 7 N 4.22 1.40 -0.57 9.45 0.00 -1.26 -5.05 107.32 115.51 2yrn s GLY 7 Ca 0.38 -1.23 -0.27 0.00 0.00 0.00 0.00 44.72 43.61 2yrn s GLY 7 CO -0.09 -1.10 2.46 0.28 0.00 0.00 0.00 173.10 174.65 2yrn n LYS 8 N 1.90 0.89 -0.04 2.90 5.02 -1.26 -4.78 118.16 122.78 2yrn n LYS 8 Ca -0.17 -0.02 -0.03 0.00 -2.02 0.00 0.00 58.31 56.07 2yrn n LYS 8 Cb 0.52 -3.19 -0.01 0.00 -0.02 0.00 0.00 35.03 32.32 2yrn n LYS 8 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2yrn n ARG 9 N 8.93 0.28 -4.32 1.97 0.00 -1.26 -5.01 116.66 117.26 2yrn n ARG 9 Ca 0.41 0.39 -0.26 0.00 -0.00 0.00 0.00 57.85 58.39 2yrn n ARG 9 Cb 0.48 -1.30 -0.09 0.00 0.00 0.00 0.00 32.46 31.54 2yrn n ARG 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2yrn s LYS 10 N -1.80 2.03 -0.08 -0.14 -0.14 -1.26 -5.09 119.74 113.25 2yrn s LYS 10 Ca -0.10 -1.36 -0.30 0.00 -1.36 0.00 0.00 55.97 52.85 2yrn s LYS 10 Cb 0.01 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 2yrn s LYS 10 CO 0.15 0.41 1.51 -1.25 -0.76 0.00 0.00 175.35 175.41 2yrn s PRO 11 N -3.04 4.20 -0.11 -1.68 0.04 -1.26 -5.00 135.00 128.16 2yrn s PRO 11 Ca 0.26 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 2yrn s PRO 11 Cb -0.08 -3.88 0.04 0.00 0.04 0.00 0.00 34.50 30.62 2yrn s PRO 11 CO 0.16 -0.78 0.40 0.54 0.04 0.00 0.00 177.00 177.36 2yrn s VAL 12 N 3.73 0.02 0.59 -0.36 0.11 -1.26 -5.16 120.40 118.07 2yrn s VAL 12 Ca 0.67 -0.13 -0.17 0.00 -2.93 0.00 0.00 61.98 59.42 2yrn s VAL 12 Cb -0.30 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2yrn s VAL 12 CO 0.25 -0.07 1.08 -0.63 -3.33 0.00 0.00 175.10 172.40 2yrn s ILE 13 N -0.29 3.55 -0.44 7.04 1.01 -1.26 -5.03 121.20 125.77 2yrn s ILE 13 Ca -0.04 0.79 0.03 0.00 0.00 0.00 0.00 60.65 61.42 2yrn s ILE 13 Cb -0.03 -3.29 0.12 0.00 0.01 0.00 0.00 42.46 39.26 2yrn s ILE 13 CO 0.02 -0.38 0.19 -1.00 0.00 0.00 0.00 174.94 173.77 2yrn s HIS 14 N -2.27 2.90 1.13 3.97 3.76 -1.26 -5.06 115.29 118.46 2yrn s HIS 14 Ca 0.66 -2.83 -0.16 0.00 -0.15 0.00 0.00 55.06 52.58 2yrn s HIS 14 Cb -0.18 -2.53 0.23 0.00 1.11 0.00 0.00 32.58 31.21 2yrn s HIS 14 CO 0.35 -0.81 0.49 0.41 -0.85 0.00 0.00 174.74 174.33 2yrn n GLY 15 N 3.62 -2.84 0.19 -2.22 0.00 -1.26 -4.00 105.19 98.68 2yrn n GLY 15 Ca 0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.94 -0.25 -1.40 0.99 3.38 -2.00 0.24 115.31 113.34 2yrn h LEU 16 Ca -0.29 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2yrn h LEU 16 Cb 0.92 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2yrn h LEU 16 CO 0.19 -0.08 -0.24 -0.33 0.09 0.00 0.00 178.44 178.06 2yrn h GLU 17 N 0.09 0.09 -0.22 1.13 3.07 -2.02 -2.81 114.58 113.91 2yrn h GLU 17 Ca 0.24 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.92 2yrn h GLU 17 Cb 0.36 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2yrn h GLU 17 CO -0.42 0.33 -0.45 -0.44 -1.40 0.00 0.00 179.01 176.64 2yrn h ASP 18 N 0.08 0.78 -0.99 1.42 5.19 -1.16 -3.17 116.42 118.58 2yrn h ASP 18 Ca 0.01 -0.55 0.12 0.00 -0.62 0.00 0.00 57.03 55.99 2yrn h ASP 18 Cb 0.48 -0.22 -0.08 0.00 0.18 0.00 0.00 39.33 39.68 2yrn h ASP 18 CO 0.03 1.18 0.62 1.56 -3.12 0.00 0.00 179.24 179.52 2yrn h GLN 19 N 0.41 0.94 -1.08 3.56 4.20 -0.38 -0.59 115.11 122.17 2yrn h GLN 19 Ca 0.01 -0.06 0.29 0.00 0.06 0.00 0.00 58.65 58.95 2yrn h GLN 19 Cb 1.05 -0.21 -0.09 0.00 0.30 0.00 0.00 27.48 28.53 2yrn h GLN 19 CO 0.10 0.62 0.71 -0.22 -0.67 0.00 0.00 178.83 179.37 2yrn h LYS 20 N 0.97 0.29 0.09 1.46 3.64 -1.50 0.89 116.57 122.41 2yrn h LYS 20 Ca 0.48 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.65 2yrn h LYS 20 Cb 0.49 -0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2yrn h LYS 20 CO -0.25 0.19 -0.84 -0.09 -2.27 0.00 0.00 179.45 176.20 2yrn h ARG 21 N 0.30 0.40 -0.38 1.90 2.43 -1.25 -2.54 114.38 115.25 2yrn h ARG 21 Ca 0.61 -0.56 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2yrn h ARG 21 Cb 1.71 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 31.37 2yrn h ARG 21 CO -0.26 1.23 -0.10 0.82 -1.51 0.00 0.00 179.97 180.14 2yrn h ILE 22 N -0.15 0.61 -0.17 1.20 2.04 -0.65 -2.31 117.51 118.08 2yrn h ILE 22 Ca -0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2yrn h ILE 22 Cb 1.60 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2yrn h ILE 22 CO 0.16 0.00 -0.07 1.88 0.00 0.00 0.00 178.15 180.12 2yrn h TYR 23 N -0.01 0.40 -0.90 1.37 0.05 -1.39 -2.80 116.97 113.69 2yrn h TYR 23 Ca 0.18 -0.10 0.17 0.00 0.05 0.00 0.00 58.73 59.04 2yrn h TYR 23 Cb 0.29 -0.09 -0.17 0.00 1.01 0.00 0.00 36.73 37.77 2yrn h TYR 23 CO -0.35 0.65 -0.25 1.15 -1.05 0.00 0.00 178.16 178.32 2yrn h THR 24 N 0.03 0.09 -0.50 -2.88 2.02 -0.99 0.44 112.91 111.12 2yrn h THR 24 Ca 0.04 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 2yrn h THR 24 Cb 0.54 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2yrn h THR 24 CO 0.02 0.00 -0.09 -0.78 0.37 0.00 0.00 175.52 175.04 2yrn h ASP 25 N -0.01 0.94 -0.55 4.18 1.82 -1.43 -0.80 116.42 120.58 2yrn h ASP 25 Ca 0.41 -0.35 0.08 0.00 -0.39 0.00 0.00 57.03 56.78 2yrn h ASP 25 Cb 0.65 -0.26 -0.06 0.00 0.68 0.00 0.00 39.33 40.34 2yrn h ASP 25 CO -0.92 1.07 0.21 -0.25 -1.61 0.00 0.00 179.24 177.73 2yrn h TRP 26 N 0.80 0.36 -0.09 0.28 7.01 0.04 -1.87 115.95 122.48 2yrn h TRP 26 Ca 0.13 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.06 2yrn h TRP 26 Cb 0.64 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 2yrn h TRP 26 CO 0.05 0.11 -0.32 0.00 -2.79 0.00 0.00 178.44 175.49 2yrn h ALA 27 N 1.36 0.17 -1.00 2.65 0.00 -0.85 -3.22 119.26 118.37 2yrn h ALA 27 Ca 0.27 -0.43 0.26 0.00 0.00 0.00 0.00 54.91 55.01 2yrn h ALA 27 Cb 0.29 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.94 2yrn h ALA 27 CO -0.26 0.21 0.58 -0.91 0.00 0.00 0.00 179.25 178.87 2yrn h ASN 28 N -0.07 0.62 -1.00 0.00 2.35 -0.77 0.37 115.58 117.08 2yrn h ASN 28 Ca -0.01 0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.97 2yrn h ASN 28 Cb 0.95 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.31 2yrn h ASN 28 CO 0.07 0.05 0.64 -0.74 -1.65 0.00 0.00 177.43 175.80 2yrn h HIS 29 N 0.52 1.18 0.00 1.19 -0.00 -1.35 0.12 115.15 116.80 2yrn h HIS 29 Ca 0.66 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 61.02 2yrn h HIS 29 Cb 1.32 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 28.34 2yrn h HIS 29 CO -0.01 0.57 -0.20 1.88 -0.00 0.00 0.00 177.93 180.17 2yrn h TYR 30 N 1.12 0.00 0.00 5.26 0.05 -0.38 -2.54 116.97 120.48 2yrn h TYR 30 Ca 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.23 2yrn h TYR 30 Cb 0.27 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 2yrn h TYR 30 CO -0.00 0.20 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.20 2yrn h LEU 31 N 0.00 0.00 -0.86 3.88 3.38 -0.33 -3.14 115.31 118.23 2yrn h LEU 31 Ca -0.00 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 57.39 2yrn h LEU 31 Cb 0.81 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 2yrn h LEU 31 CO 0.03 0.83 0.54 0.00 0.09 0.00 0.00 178.44 179.93 2yrn h ALA 32 N -0.37 1.18 -0.86 1.53 0.00 -0.93 -1.26 119.26 118.55 2yrn h ALA 32 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2yrn h ALA 32 Cb 0.65 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2yrn h ALA 32 CO -0.00 0.30 0.56 1.57 0.00 0.00 0.00 179.25 181.68 2yrn h LYS 33 N 1.00 1.07 -1.37 0.00 2.10 -1.59 -1.84 116.57 115.93 2yrn h LYS 33 Ca 0.37 -0.06 -0.25 0.00 -2.00 0.00 0.00 60.65 58.71 2yrn h LYS 33 Cb 0.14 -0.24 -0.12 0.00 -0.90 0.00 0.00 32.23 31.11 2yrn h LYS 33 CO -0.16 0.71 0.32 0.43 -2.00 0.00 0.00 179.45 178.74 2yrn n SER 34 N -4.53 5.15 -3.68 7.07 7.64 -0.74 -4.86 113.62 119.67 2yrn n SER 34 Ca 0.10 -2.84 -0.24 0.00 1.01 0.00 0.00 58.87 56.91 2yrn n SER 34 Cb 0.07 -0.91 0.01 0.00 -1.01 0.00 0.00 64.21 62.38 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrn n GLY 35 N 0.28 -1.19 2.77 0.23 0.00 -0.69 -4.95 105.19 101.63 2yrn n GLY 35 Ca 0.25 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.13 2.81 0.00 1.61 5.04 -0.55 -4.99 115.29 116.07 2yrn s HIS 36 Ca 0.13 -3.00 0.00 0.00 -1.54 0.00 0.00 55.06 50.65 2yrn s HIS 36 Cb -0.06 -2.22 0.00 0.00 0.04 0.00 0.00 32.58 30.34 2yrn s HIS 36 CO 0.87 -0.65 0.54 1.63 -2.34 0.00 0.00 174.74 174.79 2yrn n LYS 37 N 2.42 0.00 -1.23 2.88 5.02 -1.26 -4.34 118.16 121.64 2yrn n LYS 37 Ca 0.20 0.54 -0.38 0.00 -2.02 0.00 0.00 58.31 56.65 2yrn n LYS 37 Cb 0.38 -0.90 0.03 0.00 -0.02 0.00 0.00 35.03 34.52 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 -1.80 0.10 -3.45 1.97 0.63 -1.26 -4.95 116.66 107.89 2yrn n ARG 38 Ca 0.00 0.04 -0.15 0.00 -0.92 0.00 0.00 57.85 56.82 2yrn n ARG 38 Cb 0.00 -1.20 -0.04 0.00 0.45 0.00 0.00 32.46 31.67 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 2.06 0.00 -4.53 6.15 4.77 -1.26 -4.85 117.00 119.33 2yrn n LEU 39 Ca 0.07 -1.89 -0.38 0.00 -0.03 0.00 0.00 56.01 53.78 2yrn n LEU 39 Cb 0.49 0.63 -0.12 0.00 -2.33 0.00 0.00 43.42 42.10 2yrn n LEU 39 CO 0.53 -0.29 -0.21 -0.63 -1.33 0.00 0.00 177.39 175.46 2yrn s ILE 40 N -2.48 4.94 -0.14 -0.08 1.01 -1.26 -4.98 121.20 118.21 2yrn s ILE 40 Ca 0.13 0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 2yrn s ILE 40 Cb 0.01 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 2yrn s ILE 40 CO 0.09 0.27 -0.21 0.54 0.00 0.00 0.00 174.94 175.63 2yrn n ARG 41 N 5.01 0.44 -3.84 2.79 3.00 -1.26 -4.84 116.66 117.97 2yrn n ARG 41 Ca -0.15 0.42 -0.35 0.00 -0.01 0.00 0.00 57.85 57.76 2yrn n ARG 41 Cb 0.52 -1.55 -0.12 0.00 0.00 0.00 0.00 32.46 31.31 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 -5.62 5.09 0.62 0.55 1.01 -1.26 -4.94 116.67 112.10 2yrn s ASP 42 Ca -0.18 -2.22 0.22 0.00 0.71 0.00 0.00 52.55 51.09 2yrn s ASP 42 Cb 0.02 -1.77 0.86 0.00 1.01 0.00 0.00 42.92 43.04 2yrn s ASP 42 CO 0.26 -0.47 1.36 0.25 0.21 0.00 0.00 175.17 176.78 2yrn h LEU 43 N 7.73 0.00 0.03 1.23 5.85 -1.88 1.56 115.31 129.82 2yrn h LEU 43 Ca -0.09 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.37 2yrn h LEU 43 Cb 1.02 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.07 2yrn h LEU 43 CO 0.66 0.00 -1.02 1.56 -0.34 0.00 0.00 178.44 179.30 2yrn h GLN 44 N 0.00 0.64 0.03 1.25 4.20 -1.92 -3.29 115.11 116.02 2yrn h GLN 44 Ca 0.34 -0.73 -0.17 0.00 0.06 0.00 0.00 58.65 58.15 2yrn h GLN 44 Cb 2.42 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 30.40 2yrn h GLN 44 CO -0.00 1.31 -0.88 1.96 -0.67 0.00 0.00 178.83 180.54 2yrn h GLN 45 N 0.29 0.07 -0.41 1.46 4.20 0.17 -3.33 115.11 117.55 2yrn h GLN 45 Ca -0.14 -0.12 0.12 0.00 0.06 0.00 0.00 58.65 58.57 2yrn h GLN 45 Cb 1.69 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.50 2yrn h GLN 45 CO 0.20 1.06 0.90 0.38 -0.67 0.00 0.00 178.83 180.69 2yrn h ASP 46 N -0.81 0.00 -0.83 1.46 2.03 -0.51 1.15 116.42 118.91 2yrn h ASP 46 Ca -0.22 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.50 2yrn h ASP 46 Cb 1.33 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.44 2yrn h ASP 46 CO -0.07 0.00 -0.39 1.33 -1.03 0.00 0.00 179.24 179.09 2yrn n VAL 47 N -2.98 2.81 -0.00 4.15 0.24 -1.24 -3.68 118.33 117.63 2yrn n VAL 47 Ca 0.09 -3.92 -0.15 0.00 -2.04 0.00 0.00 64.34 58.32 2yrn n VAL 47 Cb 1.04 -1.15 -0.14 0.00 -1.47 0.00 0.00 33.84 32.12 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 1.90 0.78 0.00 3.34 1.35 0.12 -3.36 112.91 117.04 2yrn h THR 48 Ca 0.43 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 2yrn h THR 48 Cb 1.34 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 2yrn h THR 48 CO 0.97 0.69 -1.26 0.47 -0.25 0.00 0.00 175.52 176.15 2yrn n ASP 49 N -3.27 1.13 0.00 5.36 8.00 -1.26 -4.45 116.55 122.06 2yrn n ASP 49 Ca -0.23 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 54.89 2yrn n ASP 49 Cb 1.05 1.39 0.00 0.00 -0.02 0.00 0.00 41.12 43.54 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 1.50 3.19 0.01 0.44 0.00 -1.26 -4.32 105.19 104.75 2yrn n GLY 50 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.72 1.61 2.07 -1.90 0.44 116.25 117.75 2yrn h VAL 51 Ca 0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 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 0.50 0.25 0.02 0.00 0.00 177.57 178.34 2yrn h LEU 52 N -0.03 0.19 0.60 2.57 6.46 -1.92 -1.52 115.31 121.67 2yrn h LEU 52 Ca -0.00 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 2yrn h LEU 52 Cb 0.02 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 39.93 2yrn h LEU 52 CO -0.00 0.09 -0.29 0.25 -0.62 0.00 0.00 178.44 177.87 2yrn h LEU 53 N 0.20 -0.69 -0.97 2.25 5.85 -1.53 -3.04 115.31 117.38 2yrn h LEU 53 Ca 0.35 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.10 2yrn h LEU 53 Cb 1.09 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 2yrn h LEU 53 CO -0.07 -0.43 0.64 0.00 -0.34 0.00 0.00 178.44 178.24 2yrn h ALA 54 N -0.55 1.28 -1.32 1.25 0.00 -0.17 -2.28 119.26 117.49 2yrn h ALA 54 Ca -0.08 -0.05 0.46 0.00 0.00 0.00 0.00 54.91 55.24 2yrn h ALA 54 Cb 0.65 -0.35 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 2yrn h ALA 54 CO 0.14 0.53 0.83 1.04 0.00 0.00 0.00 179.25 181.79 2yrn n GLN 55 N -4.46 -0.04 -0.07 0.00 6.02 -0.65 -0.86 117.38 117.32 2yrn n GLN 55 Ca 0.13 1.24 -0.10 0.00 -0.01 0.00 0.00 57.00 58.26 2yrn n GLN 55 Cb 0.09 -2.42 -0.06 0.00 1.02 0.00 0.00 30.24 28.86 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 0.61 -0.80 5.09 5.03 -1.47 -3.31 117.51 122.67 2yrn h ILE 56 Ca 0.86 -1.58 0.12 0.00 -0.12 0.00 0.00 64.86 64.13 2yrn h ILE 56 Cb 2.73 1.28 -0.13 0.00 -3.03 0.00 0.00 36.82 37.67 2yrn h ILE 56 CO -0.49 0.21 -0.42 0.40 -0.68 0.00 0.00 178.15 177.17 2yrn h ILE 57 N -1.00 0.06 -0.94 -0.67 2.04 -0.86 0.69 117.51 116.82 2yrn h ILE 57 Ca -0.09 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.94 2yrn h ILE 57 Cb 0.68 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.74 2yrn h ILE 57 CO -0.05 0.00 0.60 1.56 0.00 0.00 0.00 178.15 180.26 2yrn h GLN 58 N -0.10 0.65 0.11 2.37 4.20 -1.15 0.41 115.11 121.60 2yrn h GLN 58 Ca 0.25 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 2yrn h GLN 58 Cb 0.55 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2yrn h GLN 58 CO -0.84 0.43 -0.06 0.28 -0.67 0.00 0.00 178.83 177.98 2yrn h VAL 59 N 0.67 0.00 -0.89 -0.54 2.07 0.17 1.32 116.25 119.04 2yrn h VAL 59 Ca 0.50 -0.13 0.25 0.00 0.82 0.00 0.00 66.70 68.14 2yrn h VAL 59 Cb 0.88 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2yrn h VAL 59 CO -0.25 0.00 0.63 1.62 0.02 0.00 0.00 177.57 179.59 2yrn h VAL 60 N -0.29 0.57 0.00 2.57 3.04 -0.65 0.28 116.25 121.77 2yrn h VAL 60 Ca -0.02 -0.01 -0.17 0.00 -1.01 0.00 0.00 66.70 65.49 2yrn h VAL 60 Cb 0.12 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 2yrn h VAL 60 CO 0.03 0.01 -1.45 0.00 -1.01 0.00 0.00 177.57 175.14 2yrn n ALA 61 N -2.69 1.94 -2.32 3.17 0.00 0.14 -4.94 120.51 115.81 2yrn n ALA 61 Ca 0.18 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 2yrn n ALA 61 Cb 0.93 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2yrn n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2yrn n ASN 62 N -2.87 -3.20 -4.09 0.00 4.13 0.42 -5.03 115.26 104.63 2yrn n ASN 62 Ca -0.10 -0.05 -0.11 0.00 1.68 0.00 0.00 54.58 56.00 2yrn n ASN 62 Cb 0.84 -2.35 -0.11 0.00 -1.54 0.00 0.00 39.78 36.63 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 -4.65 0.60 -0.18 3.52 -6.30 0.53 -5.00 118.70 107.23 2yrn s GLU 63 Ca 0.05 -0.98 -0.07 0.00 -2.50 0.00 0.00 54.97 51.47 2yrn s GLU 63 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 34.13 33.93 2yrn s GLU 63 CO 0.06 -0.01 0.05 0.21 0.02 0.00 0.00 175.26 175.60 2yrn s LYS 64 N -2.58 3.96 -0.25 4.30 2.20 -1.26 -4.10 119.74 122.01 2yrn s LYS 64 Ca -0.02 -0.36 -0.19 0.00 -0.36 0.00 0.00 55.97 55.05 2yrn s LYS 64 Cb -0.03 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2yrn s LYS 64 CO -0.03 0.27 0.57 0.42 -0.36 0.00 0.00 175.35 176.22 2yrn s ILE 65 N 0.37 5.04 -0.43 5.43 1.01 -1.26 -4.93 121.20 126.43 2yrn s ILE 65 Ca 0.03 1.00 0.23 0.00 0.00 0.00 0.00 60.65 61.91 2yrn s ILE 65 Cb -0.12 -3.88 0.11 0.00 0.01 0.00 0.00 42.46 38.57 2yrn s ILE 65 CO 0.00 0.07 1.29 -0.33 0.00 0.00 0.00 174.94 175.98 2yrn h GLU 66 N 7.88 0.00 -1.23 2.79 5.08 -1.99 -3.32 114.58 123.79 2yrn h GLU 66 Ca -0.29 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.94 2yrn h GLU 66 Cb 1.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 2yrn h GLU 66 CO 0.74 0.00 0.17 -0.25 -1.00 0.00 0.00 179.01 178.67 2yrn n ASP 67 N -2.59 3.99 -4.32 1.42 9.92 -1.26 -4.81 116.55 118.90 2yrn n ASP 67 Ca 0.02 -2.48 -0.34 0.00 -0.53 0.00 0.00 54.79 51.46 2yrn n ASP 67 Cb 0.51 -0.73 -0.14 0.00 -0.64 0.00 0.00 41.12 40.11 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 -0.88 3.04 0.00 0.53 -1.09 -1.25 -4.51 121.20 117.04 2yrn s ILE 68 Ca 0.14 -0.64 -0.20 0.00 -2.23 0.00 0.00 60.65 57.72 2yrn s ILE 68 Cb 0.11 -2.32 -0.11 0.00 -1.58 0.00 0.00 42.46 38.57 2yrn s ILE 68 CO 0.02 0.49 0.96 -1.13 -1.23 0.00 0.00 174.94 174.05 2yrn h ASN 69 N 7.35 -0.61 0.00 3.58 -1.24 -1.91 -3.48 115.58 119.27 2yrn h ASN 69 Ca -0.34 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.69 2yrn h ASN 69 Cb 1.19 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.39 2yrn h ASN 69 CO 0.58 -0.30 0.00 0.61 -1.29 0.00 0.00 177.43 177.03 2yrn n GLY 70 N -0.39 2.49 2.92 1.57 0.00 -1.26 -4.91 105.19 105.61 2yrn n GLY 70 Ca -0.09 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.02 4.43 -0.12 0.00 0.04 -1.26 -4.95 135.00 132.12 2yrn s PRO 72 Ca 0.22 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2yrn s PRO 72 Cb -0.13 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 2yrn s PRO 72 CO -0.10 -0.14 -0.13 1.63 0.04 0.00 0.00 177.00 178.29 2yrn n LYS 73 N 1.83 0.28 -2.31 4.56 4.01 -1.26 -4.99 118.16 120.27 2yrn n LYS 73 Ca 0.03 0.09 -0.25 0.00 -0.51 0.00 0.00 58.31 57.67 2yrn n LYS 73 Cb 0.43 -1.07 0.06 0.00 -0.51 0.00 0.00 35.03 33.93 2yrn n LYS 73 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2yrn s ASN 74 N -5.67 5.05 0.39 4.39 3.84 -1.26 -4.99 114.94 116.69 2yrn s ASN 74 Ca -0.17 0.44 0.20 0.00 0.21 0.00 0.00 52.86 53.54 2yrn s ASN 74 Cb 0.05 -1.20 0.74 0.00 -0.55 0.00 0.00 41.25 40.30 2yrn s ASN 74 CO 0.24 -1.41 1.76 0.08 -2.79 0.00 0.00 177.10 174.97 2yrn h ARG 75 N -0.40 0.00 0.00 0.43 -0.00 -2.03 -3.06 114.38 109.31 2yrn h ARG 75 Ca -0.44 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.31 2yrn h ARG 75 Cb 1.30 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.23 2yrn h ARG 75 CO 0.59 0.33 -1.48 0.66 -0.00 0.00 0.00 179.97 180.07 2yrn h SER 76 N 0.00 0.00 -0.50 0.08 4.64 -2.02 -3.34 113.55 112.41 2yrn h SER 76 Ca -0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.46 2yrn h SER 76 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 2yrn h SER 76 CO 0.04 0.82 0.42 1.56 -0.87 0.00 0.00 176.83 178.80 2yrn h GLN 77 N 0.00 0.00 -0.11 4.77 1.08 -1.92 -0.38 115.11 118.55 2yrn h GLN 77 Ca -0.20 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.86 2yrn h GLN 77 Cb 1.80 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.24 2yrn h GLN 77 CO 0.07 0.00 -0.46 0.52 -0.95 0.00 0.00 178.83 178.01 2yrn h MET 78 N 0.00 0.51 -0.85 1.46 2.86 -1.68 -3.30 114.93 113.92 2yrn h MET 78 Ca 0.24 -0.40 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 2yrn h MET 78 Cb 1.07 0.08 -0.14 0.00 0.06 0.00 0.00 31.60 32.67 2yrn h MET 78 CO -0.00 1.03 -0.41 0.82 1.06 0.00 0.00 176.91 179.41 2yrn h ILE 79 N 0.11 0.05 -0.43 -1.22 1.08 -1.24 0.38 117.51 116.25 2yrn h ILE 79 Ca -0.03 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 2yrn h ILE 79 Cb 1.10 0.05 -0.09 0.00 -3.07 0.00 0.00 36.82 34.80 2yrn h ILE 79 CO 0.10 0.00 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.89 2yrn h GLU 80 N -0.07 -0.24 -0.01 2.37 4.39 -1.64 0.26 114.58 119.66 2yrn h GLU 80 Ca 0.28 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2yrn h GLU 80 Cb 0.56 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2yrn h GLU 80 CO -0.88 -0.16 -0.00 0.09 -1.16 0.00 0.00 179.01 176.90 2yrn n ASN 81 N -5.42 -0.01 -0.23 1.42 4.13 0.11 -0.23 115.26 115.04 2yrn n ASN 81 Ca 0.01 0.93 0.01 0.00 1.68 0.00 0.00 54.58 57.21 2yrn n ASN 81 Cb 0.34 -0.46 0.12 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.85 -0.42 2.41 2.04 -1.38 -2.39 117.51 118.62 2yrn h ILE 82 Ca 0.00 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.75 2yrn h ILE 82 Cb 0.00 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.22 2yrn h ILE 82 CO -0.01 0.10 -0.30 -0.78 0.00 0.00 0.00 178.15 177.17 2yrn h ASP 83 N 0.57 -1.00 -0.78 1.72 3.58 0.13 0.13 116.42 120.77 2yrn h ASP 83 Ca 0.33 0.19 0.15 0.00 0.42 0.00 0.00 57.03 58.12 2yrn h ASP 83 Cb 0.34 0.49 -0.10 0.00 1.72 0.00 0.00 39.33 41.77 2yrn h ASP 83 CO -0.26 -0.30 0.31 0.00 -2.88 0.00 0.00 179.24 176.11 2yrn h ALA 84 N 0.87 1.12 0.13 -0.78 0.00 -0.07 -1.24 119.26 119.29 2yrn h ALA 84 Ca 0.19 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2yrn h ALA 84 Cb 0.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2yrn h ALA 84 CO -0.55 -0.23 -0.06 0.00 0.00 0.00 0.00 179.25 178.41 2yrn h LEU 86 N -0.28 -0.09 -0.30 0.00 3.38 -0.24 0.94 115.31 118.72 2yrn h LEU 86 Ca -0.02 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2yrn h LEU 86 Cb 0.22 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2yrn h LEU 86 CO 0.03 -0.03 -0.26 0.78 0.09 0.00 0.00 178.44 179.06 2yrn h ASN 87 N 0.20 0.75 -0.82 -0.43 2.35 -1.12 -2.45 115.58 114.06 2yrn h ASN 87 Ca 0.29 -0.46 0.07 0.00 -0.55 0.00 0.00 56.30 55.65 2yrn h ASN 87 Cb 0.43 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 2yrn h ASN 87 CO -0.41 1.05 0.53 0.15 -1.65 0.00 0.00 177.43 177.11 2yrn h PHE 88 N 0.46 0.89 0.34 1.19 3.04 0.50 -2.35 116.94 121.01 2yrn h PHE 88 Ca 0.05 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 2yrn h PHE 88 Cb 0.82 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.04 2yrn h PHE 88 CO 0.07 0.46 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.59 2yrn h LEU 89 N 0.87 -0.38 -0.97 0.59 3.38 -0.75 -3.11 115.31 114.93 2yrn h LEU 89 Ca 0.36 -0.16 0.31 0.00 0.09 0.00 0.00 57.88 58.48 2yrn h LEU 89 Cb 0.27 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.96 2yrn h LEU 89 CO -0.13 0.06 0.45 0.00 0.09 0.00 0.00 178.44 178.91 2yrn h ALA 90 N -0.62 1.78 -0.94 1.53 0.00 -1.22 0.69 119.26 120.49 2yrn h ALA 90 Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2yrn h ALA 90 Cb 0.52 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2yrn h ALA 90 CO 0.08 -0.60 0.55 0.00 0.00 0.00 0.00 179.25 179.27 2yrn h ALA 91 N 1.87 1.20 0.00 0.00 0.00 -1.44 -1.54 119.26 119.35 2yrn h ALA 91 Ca 0.70 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 2yrn h ALA 91 Cb 1.60 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2yrn h ALA 91 CO -0.66 0.66 -0.09 0.87 0.00 0.00 0.00 179.25 180.04 2yrn h LYS 92 N 1.30 0.00 0.00 0.00 1.79 0.46 -3.45 116.57 116.67 2yrn h LYS 92 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2yrn h LYS 92 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2yrn h LYS 92 CO -0.06 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.81 2yrn n GLY 93 N -0.92 1.41 3.48 3.86 0.00 -0.58 -5.12 105.19 107.31 2yrn n GLY 93 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2yrn n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yrn s ILE 94 N -2.00 2.62 -0.37 -0.61 1.01 -1.20 -4.94 121.20 115.72 2yrn s ILE 94 Ca 0.00 -1.99 -0.19 0.00 0.00 0.00 0.00 60.65 58.47 2yrn s ILE 94 Cb 0.00 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2yrn s ILE 94 CO 0.00 -0.17 0.55 0.21 0.00 0.00 0.00 174.94 175.53 2yrn s ASN 95 N -2.88 6.33 -0.02 3.58 2.47 -1.26 -4.03 114.94 119.13 2yrn s ASN 95 Ca 0.24 -0.08 0.11 0.00 0.42 0.00 0.00 52.86 53.55 2yrn s ASN 95 Cb -0.08 -2.28 -0.17 0.00 -1.45 0.00 0.00 41.25 37.27 2yrn s ASN 95 CO 0.12 -0.55 0.24 2.30 -3.72 0.00 0.00 177.10 175.49 2yrn n ILE 96 N 5.52 0.02 -1.72 -5.21 -5.35 -1.26 -4.83 119.36 106.53 2yrn n ILE 96 Ca -0.04 -0.26 -0.62 0.00 -0.27 0.00 0.00 62.75 61.55 2yrn n ILE 96 Cb 0.49 0.21 -0.09 0.00 -1.74 0.00 0.00 39.64 38.51 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 -1.91 0.55 0.00 6.28 6.02 -1.26 -1.51 117.38 125.54 2yrn n GLN 97 Ca -0.03 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2yrn n GLN 97 Cb 0.31 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.79 2yrn n GLN 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yrn n GLY 98 N 3.91 1.34 3.57 1.08 0.00 -1.26 -5.11 105.19 108.72 2yrn n GLY 98 Ca 0.28 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2yrn n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yrn s LEU 99 N 0.00 0.68 -0.26 0.99 1.43 -0.57 -5.07 118.68 115.88 2yrn s LEU 99 Ca 0.00 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2yrn s LEU 99 Cb 0.00 -2.66 0.15 0.00 0.03 0.00 0.00 46.19 43.71 2yrn s LEU 99 CO 0.00 -4.06 0.40 -0.44 0.23 0.00 0.00 176.35 172.48 2yrn s SER 100 N -3.60 0.22 0.25 2.29 0.01 -1.26 -5.03 113.70 106.57 2yrn s SER 100 Ca 0.69 0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.92 2yrn s SER 100 Cb -0.13 1.16 0.42 0.00 0.21 0.00 0.00 66.02 67.68 2yrn s SER 100 CO 0.57 -0.32 1.61 0.00 0.41 0.00 0.00 173.24 175.51 2yrn h ALA 101 N 8.17 0.70 0.13 1.44 0.00 -1.94 -0.09 119.26 127.66 2yrn h ALA 101 Ca -0.16 0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2yrn h ALA 101 Cb 1.14 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2yrn h ALA 101 CO 0.27 -0.43 -0.27 1.49 0.00 0.00 0.00 179.25 180.31 2yrn h GLU 102 N 0.04 -0.47 -0.25 0.00 4.81 -1.96 -2.20 114.58 114.55 2yrn h GLU 102 Ca 0.42 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.74 2yrn h GLU 102 Cb 0.71 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.13 2yrn h GLU 102 CO -0.78 -0.31 -0.28 0.93 -0.73 0.00 0.00 179.01 177.84 2yrn h GLU 103 N -0.49 -0.28 -0.59 1.92 4.39 -1.48 -1.78 114.58 116.27 2yrn h GLU 103 Ca 0.03 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.87 2yrn h GLU 103 Cb 0.51 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.11 2yrn h GLU 103 CO -0.15 -0.19 -0.19 0.82 -1.16 0.00 0.00 179.01 178.15 2yrn h ILE 104 N -0.29 0.35 -0.48 3.13 2.04 -0.97 0.52 117.51 121.81 2yrn h ILE 104 Ca 0.13 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.13 2yrn h ILE 104 Cb 0.50 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2yrn h ILE 104 CO -0.41 0.00 0.34 -0.09 0.00 0.00 0.00 178.15 177.99 2yrn h ARG 105 N -0.04 0.01 0.00 2.37 2.43 -0.71 0.47 114.38 118.91 2yrn h ARG 105 Ca 0.28 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2yrn h ARG 105 Cb 0.47 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2yrn h ARG 105 CO -0.63 0.01 -0.10 0.09 -1.51 0.00 0.00 179.97 177.83 2yrn n ASN 106 N -4.40 0.65 0.00 -3.80 3.02 0.17 -4.69 115.26 106.22 2yrn n ASN 106 Ca 0.08 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 2yrn n ASN 106 Cb 0.55 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2yrn n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yrn n GLY 107 N 1.35 0.92 3.55 7.41 0.00 0.17 -4.99 105.19 113.59 2yrn n GLY 107 Ca 0.06 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.51 4.96 0.00 1.61 2.47 -1.00 -4.81 114.94 115.66 2yrn s ASN 108 Ca 0.00 0.53 -0.00 0.00 0.42 0.00 0.00 52.86 53.81 2yrn s ASN 108 Cb 0.00 -2.52 -0.00 0.00 -1.45 0.00 0.00 41.25 37.28 2yrn s ASN 108 CO 0.00 -2.59 0.87 -0.11 -3.72 0.00 0.00 177.10 171.55 2yrn n LEU 109 N 13.95 -0.01 -0.24 3.21 7.94 -1.26 0.74 117.00 141.33 2yrn n LEU 109 Ca 0.27 0.87 0.19 0.00 -1.11 0.00 0.00 56.01 56.23 2yrn n LEU 109 Cb 0.53 -0.43 0.36 0.00 0.53 0.00 0.00 43.42 44.40 2yrn n LEU 109 CO 0.70 -0.44 0.71 0.29 -1.11 0.00 0.00 177.39 177.54 2yrn n LYS 110 N -2.89 -0.05 0.20 1.96 4.01 -1.26 0.34 118.16 120.48 2yrn n LYS 110 Ca 0.00 1.03 -0.08 0.00 -0.51 0.00 0.00 58.31 58.75 2yrn n LYS 110 Cb 0.00 -1.78 -0.04 0.00 -0.51 0.00 0.00 35.03 32.70 2yrn n LYS 110 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2yrn h ALA 111 N 1.45 -0.73 0.06 7.82 0.00 -0.07 -1.93 119.26 125.87 2yrn h ALA 111 Ca 0.56 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.38 2yrn h ALA 111 Cb 1.39 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2yrn h ALA 111 CO -0.60 -0.69 -0.36 0.82 0.00 0.00 0.00 179.25 178.41 2yrn h ILE 112 N -0.81 0.24 -0.36 0.00 5.03 0.82 -1.71 117.51 120.72 2yrn h ILE 112 Ca -0.05 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.76 2yrn h ILE 112 Cb 0.41 0.24 -0.09 0.00 -3.03 0.00 0.00 36.82 34.36 2yrn h ILE 112 CO 0.09 0.00 -0.31 -0.07 -0.68 0.00 0.00 178.15 177.18 2yrn h LEU 113 N -0.56 -1.03 -0.96 1.44 3.38 -0.24 -0.27 115.31 117.08 2yrn h LEU 113 Ca 0.04 0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.36 2yrn h LEU 113 Cb 0.61 0.48 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 2yrn h LEU 113 CO -0.25 -0.32 0.56 1.23 0.09 0.00 0.00 178.44 179.75 2yrn h GLY 114 N -0.26 1.65 1.01 0.83 0.00 -0.97 0.13 103.07 105.47 2yrn h GLY 114 Ca 0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 2yrn h GLY 114 CO -0.50 -0.04 -0.43 -2.00 0.00 0.00 0.00 176.54 173.56 2yrn h LEU 115 N 0.74 -1.02 -1.99 3.11 6.46 -0.15 -2.16 115.31 120.30 2yrn h LEU 115 Ca 0.54 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.33 2yrn h LEU 115 Cb 0.79 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 2yrn h LEU 115 CO -0.37 -0.73 0.00 -0.26 -0.62 0.00 0.00 178.44 176.46 2yrn h PHE 116 N -1.21 0.00 -0.09 1.25 0.04 -0.90 0.15 116.94 116.18 2yrn h PHE 116 Ca -0.12 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.46 2yrn h PHE 116 Cb 0.92 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.07 2yrn h PHE 116 CO -0.01 0.00 -0.74 0.35 -0.60 0.00 0.00 178.31 177.31 2yrn h PHE 117 N 0.00 0.65 0.04 -0.55 3.04 -0.15 -2.94 116.94 117.04 2yrn h PHE 117 Ca 0.00 -0.29 -0.35 0.00 3.98 0.00 0.00 57.97 61.31 2yrn h PHE 117 Cb 0.14 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 2yrn h PHE 117 CO 0.00 1.06 -2.08 0.45 -2.02 0.00 0.00 178.31 175.72 2yrn n SER 118 N -3.86 1.38 0.27 0.41 2.88 -0.70 -4.27 113.62 109.73 2yrn n SER 118 Ca -0.05 0.16 -0.16 0.00 -1.33 0.00 0.00 58.87 57.49 2yrn n SER 118 Cb 0.71 -0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2yrn h LEU 119 N 0.03 -0.97 -0.97 2.46 5.85 -0.84 -2.35 115.31 118.50 2yrn h LEU 119 Ca -0.44 0.07 0.31 0.00 0.84 0.00 0.00 57.88 58.66 2yrn h LEU 119 Cb 2.04 0.31 -0.15 0.00 0.37 0.00 0.00 40.66 43.23 2yrn h LEU 119 CO 0.04 -0.53 0.48 -1.28 -0.34 0.00 0.00 178.44 176.80 2yrn h SER 120 N -0.81 0.36 -0.62 1.25 0.87 -1.73 0.14 113.55 113.00 2yrn h SER 120 Ca -0.04 0.20 0.12 0.00 -1.23 0.00 0.00 61.79 60.84 2yrn h SER 120 Cb 0.70 0.19 -0.12 0.00 -0.44 0.00 0.00 62.40 62.73 2yrn h SER 120 CO -0.01 -0.17 -0.20 0.03 -0.53 0.00 0.00 176.83 175.95 2yrn h ARG 121 N 0.27 -0.04 -0.94 2.24 2.47 -1.60 0.21 114.38 116.99 2yrn h ARG 121 Ca 0.70 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 59.58 2yrn h ARG 121 Cb 1.57 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 29.74 2yrn h ARG 121 CO -0.64 -0.03 -0.35 -0.92 0.56 0.00 0.00 179.97 178.59 2yrn h TYR 122 N -0.04 -0.95 -0.02 3.04 5.03 -0.75 -0.93 116.97 122.34 2yrn h TYR 122 Ca 0.29 0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.67 2yrn h TYR 122 Cb 0.49 0.56 0.00 0.00 1.55 0.00 0.00 36.73 39.33 2yrn h TYR 122 CO -0.54 -0.40 -0.10 -0.22 -1.32 0.00 0.00 178.16 175.58 2yrn h LYS 123 N -0.02 0.10 -6.33 1.82 1.63 -1.27 -3.42 116.57 109.07 2yrn h LYS 123 Ca 0.36 -0.08 -0.65 0.00 -0.85 0.00 0.00 60.65 59.42 2yrn h LYS 123 Cb 0.61 0.02 0.05 0.00 -0.60 0.00 0.00 32.23 32.31 2yrn h LYS 123 CO -0.95 0.74 0.61 1.04 -3.45 0.00 0.00 179.45 177.44 2yrn n GLN 124 N -4.67 1.49 -2.45 1.90 1.13 0.60 -1.02 117.38 114.37 2yrn n GLN 124 Ca -0.09 0.54 -0.08 0.00 -1.94 0.00 0.00 57.00 55.43 2yrn n GLN 124 Cb 0.38 -2.23 0.01 0.00 0.11 0.00 0.00 30.24 28.51 2yrn n GLN 124 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2yrn n GLN 125 N 3.14 -1.56 -2.35 -1.09 7.27 -1.26 -4.84 117.38 116.69 2yrn n GLN 125 Ca 0.19 0.36 -0.22 0.00 0.07 0.00 0.00 57.00 57.40 2yrn n GLN 125 Cb 0.22 -4.13 0.01 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 -1.95 3.16 -0.00 3.69 0.00 -0.19 -4.72 117.38 117.37 2yrn n GLN 126 Ca -0.06 -4.19 -0.01 0.00 -0.00 0.00 0.00 57.00 52.75 2yrn n GLN 126 Cb 0.55 -2.12 -0.00 0.00 0.00 0.00 0.00 30.24 28.67 2yrn n GLN 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2yrn n GLN 127 N -0.54 0.02 -3.60 3.69 10.64 -1.26 -5.03 117.38 121.31 2yrn n GLN 127 Ca 0.36 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 55.16 2yrn n GLN 127 Cb 0.80 -0.99 -0.07 0.00 -0.86 0.00 0.00 30.24 29.13 2yrn n GLN 127 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2yrn s GLN 128 N -2.01 3.99 0.00 2.61 -2.07 -1.26 -5.29 119.66 115.62 2yrn s GLN 128 Ca -0.01 0.14 0.16 0.00 -1.82 0.00 0.00 55.36 53.83 2yrn s GLN 128 Cb 0.00 -3.32 0.93 0.00 -1.09 0.00 0.00 33.01 29.53 2yrn s GLN 128 CO 0.02 0.48 1.34 -0.35 -1.32 0.00 0.00 175.29 175.46