#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 5.49 -0.08 1.61 0.01 -1.26 -5.03 113.70 114.44 2yrn s SER 2 Ca 0.00 2.38 0.02 0.00 1.31 0.00 0.00 55.95 59.66 2yrn s SER 2 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2yrn s SER 2 CO 0.00 -1.39 -0.13 -0.94 0.41 0.00 0.00 173.24 171.19 2yrn s SER 3 N -1.50 4.09 0.00 2.44 1.04 -1.26 -5.13 113.70 113.38 2yrn s SER 3 Ca 0.73 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2yrn s SER 3 Cb -0.30 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2yrn s SER 3 CO 0.34 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.46 2yrn n GLY 4 N 2.67 1.38 3.39 7.32 0.00 -1.26 -5.09 105.19 113.60 2yrn n GLY 4 Ca -0.17 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.00 4.13 -0.69 1.61 0.01 -1.26 -5.06 113.70 111.44 2yrn s SER 5 Ca 0.00 -0.30 -0.26 0.00 1.31 0.00 0.00 55.95 56.70 2yrn s SER 5 Cb 0.00 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 2yrn s SER 5 CO 0.00 0.16 1.68 -0.55 0.41 0.00 0.00 173.24 174.94 2yrn s SER 6 N 0.38 5.57 0.00 2.44 0.15 -1.26 -4.82 113.70 116.16 2yrn s SER 6 Ca -0.10 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2yrn s SER 6 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2yrn s SER 6 CO 0.05 -2.22 0.00 0.61 1.20 0.00 0.00 173.24 172.88 2yrn n GLY 7 N 5.75 0.93 1.96 9.45 0.00 -1.26 -5.05 105.19 116.97 2yrn n GLY 7 Ca 0.17 0.57 -0.14 0.00 0.00 0.00 0.00 46.02 46.63 2yrn n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yrn n LYS 8 N 0.00 2.78 0.07 1.61 -0.00 -1.26 -4.83 118.16 116.53 2yrn n LYS 8 Ca 0.00 -3.81 -0.12 0.00 -0.00 0.00 0.00 58.31 54.38 2yrn n LYS 8 Cb 0.00 -1.94 -0.08 0.00 -0.00 0.00 0.00 35.03 33.00 2yrn n LYS 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2yrn h ARG 9 N 2.04 -0.22 -7.11 -1.58 2.47 -2.00 -3.45 114.38 104.52 2yrn h ARG 9 Ca 0.19 0.02 -0.55 0.00 -1.26 0.00 0.00 59.98 58.38 2yrn h ARG 9 Cb 1.43 0.05 0.18 0.00 -1.65 0.00 0.00 29.97 29.98 2yrn h ARG 9 CO 0.50 0.18 0.28 1.63 0.56 0.00 0.00 179.97 183.12 2yrn n LYS 10 N -4.98 0.42 -2.22 0.04 4.76 -1.26 -4.93 118.16 109.99 2yrn n LYS 10 Ca -0.09 0.21 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 2yrn n LYS 10 Cb 0.26 -2.38 -0.03 0.00 -1.84 0.00 0.00 35.03 31.03 2yrn n LYS 10 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2yrn s PRO 11 N -3.77 4.37 0.32 1.97 0.04 -1.26 -5.04 135.00 131.63 2yrn s PRO 11 Ca 0.75 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.90 2yrn s PRO 11 Cb -0.32 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2yrn s PRO 11 CO 0.49 -0.33 0.18 0.54 0.04 0.00 0.00 177.00 177.93 2yrn s VAL 12 N 0.59 3.39 -0.01 -0.36 0.11 -1.26 -5.05 120.40 117.81 2yrn s VAL 12 Ca 0.60 -1.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 2yrn s VAL 12 Cb -0.36 -3.08 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 2yrn s VAL 12 CO 0.34 -0.22 0.00 -0.38 -3.33 0.00 0.00 175.10 171.51 2yrn n ILE 13 N -1.20 0.08 -3.24 7.04 5.41 -1.26 -5.05 119.36 121.14 2yrn n ILE 13 Ca -0.03 -0.05 -0.15 0.00 1.00 0.00 0.00 62.75 63.52 2yrn n ILE 13 Cb 0.60 -0.88 0.08 0.00 -0.71 0.00 0.00 39.64 38.73 2yrn n ILE 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2yrn n HIS 14 N -2.15 -1.95 -0.94 1.39 8.25 -1.26 -4.94 115.22 113.62 2yrn n HIS 14 Ca -0.02 0.82 -0.37 0.00 -0.26 0.00 0.00 57.72 57.89 2yrn n HIS 14 Cb 0.54 -4.66 0.06 0.00 1.12 0.00 0.00 29.99 27.05 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 -1.13 -3.31 0.34 -1.41 0.00 -1.26 -3.50 105.19 94.92 2yrn n GLY 15 Ca -0.24 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.36 2yrn n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yrn h LEU 16 N -1.20 -0.99 -0.59 0.99 3.38 -2.00 0.49 115.31 115.40 2yrn h LEU 16 Ca -0.43 0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2yrn h LEU 16 Cb 1.36 0.59 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 2yrn h LEU 16 CO 0.25 -0.29 0.03 -0.33 0.09 0.00 0.00 178.44 178.18 2yrn h GLU 17 N -0.02 1.02 -0.91 1.13 4.39 -2.00 -2.88 114.58 115.32 2yrn h GLU 17 Ca 0.39 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.78 2yrn h GLU 17 Cb 0.63 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2yrn h GLU 17 CO -0.90 1.00 0.59 -0.44 -1.16 0.00 0.00 179.01 178.09 2yrn h ASP 18 N 0.92 1.05 -0.93 1.42 3.32 -0.48 -2.29 116.42 119.43 2yrn h ASP 18 Ca 0.17 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.22 2yrn h ASP 18 Cb 0.52 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 2yrn h ASP 18 CO 0.02 0.77 0.60 1.56 -1.72 0.00 0.00 179.24 180.48 2yrn h GLN 19 N 1.23 1.14 -1.08 3.56 4.20 -0.15 -1.60 115.11 122.41 2yrn h GLN 19 Ca 0.33 -0.07 0.29 0.00 0.06 0.00 0.00 58.65 59.27 2yrn h GLN 19 Cb -0.12 -0.26 -0.07 0.00 0.30 0.00 0.00 27.48 27.33 2yrn h GLN 19 CO -0.07 0.75 0.73 -0.22 -0.67 0.00 0.00 178.83 179.36 2yrn h LYS 20 N 1.17 0.20 -0.00 1.46 3.64 -1.33 0.19 116.57 121.90 2yrn h LYS 20 Ca 0.37 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 2yrn h LYS 20 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2yrn h LYS 20 CO -0.12 0.13 -0.25 -0.09 -2.27 0.00 0.00 179.45 176.86 2yrn h ARG 21 N 0.21 0.18 -0.54 1.90 9.65 -1.37 -2.19 114.38 122.22 2yrn h ARG 21 Ca 0.57 -0.18 0.11 0.00 -1.10 0.00 0.00 59.98 59.37 2yrn h ARG 21 Cb 1.80 0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 30.33 2yrn h ARG 21 CO -0.16 0.91 -0.19 0.82 2.80 0.00 0.00 179.97 184.16 2yrn h ILE 22 N -0.49 0.38 -0.12 1.20 2.04 -0.84 -1.34 117.51 118.33 2yrn h ILE 22 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2yrn h ILE 22 Cb 1.00 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2yrn h ILE 22 CO 0.05 0.00 -0.06 1.88 0.00 0.00 0.00 178.15 180.02 2yrn h TYR 23 N -0.06 0.29 -0.78 1.37 0.05 -1.51 -2.54 116.97 113.79 2yrn h TYR 23 Ca 0.25 -0.07 0.15 0.00 0.05 0.00 0.00 58.73 59.11 2yrn h TYR 23 Cb 0.45 -0.07 -0.14 0.00 1.01 0.00 0.00 36.73 37.98 2yrn h TYR 23 CO -0.49 0.59 -0.26 1.15 -1.05 0.00 0.00 178.16 178.10 2yrn h THR 24 N -0.10 0.16 -0.56 -2.88 2.02 -0.68 0.28 112.91 111.16 2yrn h THR 24 Ca 0.03 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 2yrn h THR 24 Cb 0.52 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2yrn h THR 24 CO 0.02 0.00 -0.07 -0.78 0.37 0.00 0.00 175.52 175.06 2yrn h ASP 25 N -0.04 1.01 -0.34 4.18 3.58 -1.29 -1.72 116.42 121.80 2yrn h ASP 25 Ca 0.34 -0.32 0.07 0.00 0.42 0.00 0.00 57.03 57.54 2yrn h ASP 25 Cb 0.58 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 2yrn h ASP 25 CO -0.82 1.10 -0.04 -0.25 -2.88 0.00 0.00 179.24 176.35 2yrn h TRP 26 N 0.92 -0.10 -0.38 0.28 7.01 -0.08 -2.08 115.95 121.51 2yrn h TRP 26 Ca 0.15 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 61.03 2yrn h TRP 26 Cb 0.63 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 2yrn h TRP 26 CO 0.04 -0.11 -0.35 0.00 -2.79 0.00 0.00 178.44 175.23 2yrn h ALA 27 N 1.32 0.65 -1.08 2.65 0.00 -1.01 -3.00 119.26 118.80 2yrn h ALA 27 Ca 0.17 -0.44 0.30 0.00 0.00 0.00 0.00 54.91 54.93 2yrn h ALA 27 Cb 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2yrn h ALA 27 CO -0.32 0.67 0.74 -0.91 0.00 0.00 0.00 179.25 179.43 2yrn h ASN 28 N 0.73 0.22 -0.38 0.00 -0.26 -0.62 0.20 115.58 115.47 2yrn h ASN 28 Ca 0.07 0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.82 2yrn h ASN 28 Cb 0.93 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.18 2yrn h ASN 28 CO 0.09 0.04 0.13 -0.74 -1.06 0.00 0.00 177.43 175.89 2yrn h HIS 29 N 0.20 0.60 0.00 1.19 2.76 -1.32 0.14 115.15 118.71 2yrn h HIS 29 Ca 0.56 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 2yrn h HIS 29 Cb 1.82 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 30.61 2yrn h HIS 29 CO -0.00 0.56 0.00 1.88 -1.30 0.00 0.00 177.93 179.07 2yrn h TYR 30 N 0.47 0.00 0.00 5.26 0.05 -0.75 -1.93 116.97 120.07 2yrn h TYR 30 Ca 0.12 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.71 2yrn h TYR 30 Cb 0.23 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2yrn h TYR 30 CO 0.01 0.00 -1.15 -0.07 -1.05 0.00 0.00 178.16 175.89 2yrn h LEU 31 N 0.00 0.00 -2.15 3.88 3.38 -0.75 -3.23 115.31 116.44 2yrn h LEU 31 Ca 0.00 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2yrn h LEU 31 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2yrn h LEU 31 CO 0.00 1.39 -0.07 0.00 0.09 0.00 0.00 178.44 179.85 2yrn h ALA 32 N -0.56 1.25 0.10 1.53 0.00 -0.73 -1.95 119.26 118.90 2yrn h ALA 32 Ca -0.30 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.28 2yrn h ALA 32 Cb 1.19 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2yrn h ALA 32 CO -0.18 0.08 -1.16 1.57 0.00 0.00 0.00 179.25 179.56 2yrn h LYS 33 N 0.00 0.36 -0.03 0.00 2.10 -1.51 -3.16 116.57 114.34 2yrn h LYS 33 Ca -0.00 -0.52 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2yrn h LYS 33 Cb 0.24 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2yrn h LYS 33 CO 0.01 1.21 0.00 0.43 -2.00 0.00 0.00 179.45 179.10 2yrn n SER 34 N -3.64 0.47 -1.43 7.07 7.64 -0.84 -4.91 113.62 117.97 2yrn n SER 34 Ca -0.09 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.47 2yrn n SER 34 Cb 0.96 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 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 0.97 0.20 3.34 0.23 0.00 -0.98 -5.08 105.19 103.86 2yrn n GLY 35 Ca 0.19 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2yrn n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yrn s HIS 36 N -2.95 2.37 -0.13 1.61 3.76 -0.79 -5.00 115.29 114.16 2yrn s HIS 36 Ca 0.00 -0.40 0.19 0.00 -0.15 0.00 0.00 55.06 54.69 2yrn s HIS 36 Cb 0.00 -1.48 -0.21 0.00 1.11 0.00 0.00 32.58 32.00 2yrn s HIS 36 CO 0.00 0.03 0.55 1.63 -0.85 0.00 0.00 174.74 176.10 2yrn n LYS 37 N 2.24 0.65 -3.65 1.40 5.02 -1.26 -4.61 118.16 117.95 2yrn n LYS 37 Ca -0.16 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.81 2yrn n LYS 37 Cb 0.51 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.98 3.73 0.54 1.97 3.52 -1.26 -5.10 118.95 119.37 2yrn s ARG 38 Ca -0.06 0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.75 2yrn s ARG 38 Cb 0.09 -3.18 0.02 0.00 -1.56 0.00 0.00 34.95 30.33 2yrn s ARG 38 CO 0.84 0.70 0.19 1.28 -0.81 0.00 0.00 175.30 177.51 2yrn n LEU 39 N 1.71 0.00 -4.53 -0.88 4.77 -1.26 -4.92 117.00 111.88 2yrn n LEU 39 Ca -0.15 -3.10 -0.41 0.00 -0.03 0.00 0.00 56.01 52.33 2yrn n LEU 39 Cb 0.53 0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 2yrn n LEU 39 CO 0.36 -0.52 -0.09 -0.63 -1.33 0.00 0.00 177.39 175.18 2yrn s ILE 40 N -2.83 5.26 -0.19 -0.08 1.01 -1.26 -4.95 121.20 118.16 2yrn s ILE 40 Ca 0.15 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 2yrn s ILE 40 Cb -0.01 -3.75 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 2yrn s ILE 40 CO 0.09 -0.04 -0.21 0.54 0.00 0.00 0.00 174.94 175.33 2yrn n ARG 41 N 5.17 0.52 -3.72 2.79 5.12 -1.26 -4.83 116.66 120.45 2yrn n ARG 41 Ca -0.12 0.38 -0.37 0.00 -1.93 0.00 0.00 57.85 55.81 2yrn n ARG 41 Cb 0.50 -1.58 -0.11 0.00 -1.16 0.00 0.00 32.46 30.11 2yrn n ARG 41 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2yrn s ASP 42 N -6.32 5.36 0.57 0.55 1.47 -1.26 -4.94 116.67 112.10 2yrn s ASP 42 Ca -0.27 -2.10 0.29 0.00 1.18 0.00 0.00 52.55 51.65 2yrn s ASP 42 Cb 0.06 -1.87 1.46 0.00 -0.34 0.00 0.00 42.92 42.23 2yrn s ASP 42 CO 0.40 -0.56 1.88 0.25 0.68 0.00 0.00 175.17 177.83 2yrn h LEU 43 N 8.02 0.00 -0.09 2.11 5.85 -1.88 1.47 115.31 130.80 2yrn h LEU 43 Ca -0.13 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.36 2yrn h LEU 43 Cb 1.04 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.09 2yrn h LEU 43 CO 0.73 0.00 -0.85 1.56 -0.34 0.00 0.00 178.44 179.55 2yrn h GLN 44 N 0.00 0.73 -0.53 1.25 4.20 -1.92 -3.23 115.11 115.61 2yrn h GLN 44 Ca 0.28 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2yrn h GLN 44 Cb 1.37 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.31 2yrn h GLN 44 CO -0.00 1.27 0.00 1.04 -0.67 0.00 0.00 178.83 180.46 2yrn n GLN 45 N -3.94 2.59 0.00 1.46 6.02 0.58 -3.92 117.38 120.17 2yrn n GLN 45 Ca -0.09 -2.43 0.12 0.00 -0.01 0.00 0.00 57.00 54.59 2yrn n GLN 45 Cb 0.78 -1.52 0.13 0.00 1.02 0.00 0.00 30.24 30.64 2yrn n GLN 45 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2yrn n ASP 46 N 1.51 2.03 0.00 1.08 8.00 0.47 -4.18 116.55 125.47 2yrn n ASP 46 Ca 0.21 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 54.20 2yrn n ASP 46 Cb 0.60 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 2yrn n ASP 46 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2yrn n VAL 47 N 0.19 0.03 -0.34 2.53 0.24 -1.24 -3.64 118.33 116.10 2yrn n VAL 47 Ca 0.12 -0.26 -0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2yrn n VAL 47 Cb 0.47 1.47 0.13 0.00 -1.47 0.00 0.00 33.84 34.44 2yrn n VAL 47 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2yrn h THR 48 N 0.60 1.13 0.00 3.34 1.35 -1.73 -2.43 112.91 115.17 2yrn h THR 48 Ca 0.00 -0.40 -0.23 0.00 -0.55 0.00 0.00 66.41 65.24 2yrn h THR 48 Cb 0.30 -0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 66.56 2yrn h THR 48 CO 0.00 0.21 -1.28 -0.78 -0.25 0.00 0.00 175.52 173.42 2yrn h ASP 49 N 1.15 0.00 0.00 5.36 1.82 -1.87 -3.43 116.42 119.45 2yrn h ASP 49 Ca 0.38 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 2yrn h ASP 49 Cb 0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.05 2yrn h ASP 49 CO -0.13 0.91 0.00 0.61 -1.61 0.00 0.00 179.24 179.02 2yrn n GLY 50 N 1.42 2.12 0.08 -0.78 0.00 -0.92 -4.45 105.19 102.67 2yrn n GLY 50 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.36 1.61 2.07 -1.88 -2.22 116.25 115.47 2yrn h VAL 51 Ca 0.00 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2yrn h VAL 51 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2yrn h VAL 51 CO 0.00 0.00 0.28 0.25 0.02 0.00 0.00 177.57 178.12 2yrn h LEU 52 N -0.30 0.00 0.62 2.57 6.46 -1.91 -2.42 115.31 120.33 2yrn h LEU 52 Ca -0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 2yrn h LEU 52 Cb 0.14 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2yrn h LEU 52 CO 0.03 0.00 -0.30 0.25 -0.62 0.00 0.00 178.44 177.80 2yrn h LEU 53 N 0.00 -0.71 -1.19 2.25 5.85 -1.62 -3.12 115.31 116.76 2yrn h LEU 53 Ca 0.17 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.14 2yrn h LEU 53 Cb 0.73 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 2yrn h LEU 53 CO -0.00 -0.41 0.63 0.00 -0.34 0.00 0.00 178.44 178.31 2yrn h ALA 54 N -1.42 1.95 -1.27 1.25 0.00 -1.05 0.20 119.26 118.91 2yrn h ALA 54 Ca -0.09 0.07 0.41 0.00 0.00 0.00 0.00 54.91 55.30 2yrn h ALA 54 Cb 0.64 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.28 2yrn h ALA 54 CO 0.14 -0.34 0.82 1.96 0.00 0.00 0.00 179.25 181.83 2yrn h GLN 55 N 0.56 0.13 0.00 0.00 4.20 -1.38 0.52 115.11 119.15 2yrn h GLN 55 Ca 0.58 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.26 2yrn h GLN 55 Cb 1.19 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.94 2yrn h GLN 55 CO -0.34 0.08 -0.18 0.82 -0.67 0.00 0.00 178.83 178.55 2yrn h ILE 56 N 0.13 1.06 -0.36 2.54 5.03 -1.05 -3.33 117.51 121.54 2yrn h ILE 56 Ca 0.78 -1.85 0.06 0.00 -0.12 0.00 0.00 64.86 63.73 2yrn h ILE 56 Cb 2.40 2.06 -0.08 0.00 -3.03 0.00 0.00 36.82 38.17 2yrn h ILE 56 CO -0.40 0.36 -0.49 0.40 -0.68 0.00 0.00 178.15 177.34 2yrn h ILE 57 N -1.00 0.05 -0.58 -0.67 2.04 -1.00 0.58 117.51 116.93 2yrn h ILE 57 Ca -0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.99 2yrn h ILE 57 Cb 0.71 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2yrn h ILE 57 CO -0.02 0.00 0.72 1.56 0.00 0.00 0.00 178.15 180.41 2yrn h GLN 58 N -0.40 0.00 0.00 2.37 4.20 -1.12 0.40 115.11 120.57 2yrn h GLN 58 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2yrn h GLN 58 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2yrn h GLN 58 CO -0.56 0.00 -0.15 0.28 -0.67 0.00 0.00 178.83 177.73 2yrn h VAL 59 N 0.00 0.00 0.00 -0.54 2.07 -0.06 0.24 116.25 117.96 2yrn h VAL 59 Ca 0.28 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2yrn h VAL 59 Cb 1.72 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2yrn h VAL 59 CO -0.00 0.00 0.24 1.62 0.02 0.00 0.00 177.57 179.45 2yrn h VAL 60 N -0.50 0.00 -0.01 2.57 3.04 -0.34 0.39 116.25 121.40 2yrn h VAL 60 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2yrn h VAL 60 Cb 0.15 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 2yrn h VAL 60 CO 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 177.57 176.40 2yrn n ALA 61 N -1.90 2.75 -4.09 3.17 0.00 0.14 -4.91 120.51 115.68 2yrn n ALA 61 Ca -0.02 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 2yrn n ALA 61 Cb 0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.11 -1.91 -4.17 0.00 5.15 0.14 -4.94 115.26 109.41 2yrn n ASN 62 Ca 0.04 -1.00 -0.11 0.00 -0.60 0.00 0.00 54.58 52.91 2yrn n ASN 62 Cb 0.21 -2.92 -0.10 0.00 -0.53 0.00 0.00 39.78 36.44 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2yrn s GLU 63 N -6.76 1.13 -0.03 1.20 2.56 0.65 -4.99 118.70 112.46 2yrn s GLU 63 Ca 0.38 -1.55 0.07 0.00 0.00 0.00 0.00 54.97 53.86 2yrn s GLU 63 Cb -0.21 0.27 -0.02 0.00 2.00 0.00 0.00 34.13 36.17 2yrn s GLU 63 CO 0.91 -0.36 -0.23 0.21 -0.56 0.00 0.00 175.26 175.22 2yrn s LYS 64 N -4.12 2.26 -0.61 4.30 2.20 -1.26 -4.04 119.74 118.47 2yrn s LYS 64 Ca 0.34 -0.87 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 2yrn s LYS 64 Cb 0.07 -2.13 0.15 0.00 -1.51 0.00 0.00 37.83 34.41 2yrn s LYS 64 CO 0.09 0.55 0.53 0.42 -0.36 0.00 0.00 175.35 176.58 2yrn s ILE 65 N -0.57 4.94 -1.27 5.43 1.01 -1.26 -4.89 121.20 124.58 2yrn s ILE 65 Ca 0.09 -1.97 0.15 0.00 0.00 0.00 0.00 60.65 58.92 2yrn s ILE 65 Cb -0.11 -4.15 0.22 0.00 0.01 0.00 0.00 42.46 38.43 2yrn s ILE 65 CO -0.00 -0.89 1.46 -0.62 0.00 0.00 0.00 174.94 174.88 2yrn n GLU 66 N 4.66 0.14 -0.94 2.79 1.02 -1.26 -2.64 120.64 124.41 2yrn n GLU 66 Ca -0.03 0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 57.10 2yrn n GLU 66 Cb 0.42 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.47 2yrn n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yrn n ASP 67 N -1.36 3.69 -4.50 1.62 9.92 -1.26 -4.90 116.55 119.75 2yrn n ASP 67 Ca 0.06 -3.23 -0.33 0.00 -0.53 0.00 0.00 54.79 50.75 2yrn n ASP 67 Cb 0.14 -0.77 -0.12 0.00 -0.64 0.00 0.00 41.12 39.73 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 -2.55 3.47 0.00 0.53 -1.09 -1.08 -4.51 121.20 115.97 2yrn s ILE 68 Ca 0.44 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 2yrn s ILE 68 Cb 0.37 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 2yrn s ILE 68 CO 0.08 0.56 0.29 -3.20 -1.23 0.00 0.00 174.94 171.45 2yrn n ASN 69 N 2.73 0.00 0.00 3.58 5.15 -1.26 -5.01 115.26 120.45 2yrn n ASN 69 Ca -0.18 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 2yrn n ASN 69 Cb 0.53 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 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 1.13 3.47 2.54 8.20 0.00 -1.26 -4.96 105.19 114.31 2yrn n GLY 70 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.70 4.37 0.00 0.00 0.04 -1.26 -4.91 135.00 132.54 2yrn s PRO 72 Ca 0.31 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2yrn s PRO 72 Cb 0.03 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2yrn s PRO 72 CO -0.17 -0.33 0.00 0.36 0.04 0.00 0.00 177.00 176.90 2yrn n LYS 73 N 3.25 1.62 -1.82 4.56 -0.00 -1.26 -4.95 118.16 119.56 2yrn n LYS 73 Ca 0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.10 2yrn n LYS 73 Cb 0.43 -0.96 0.08 0.00 -0.00 0.00 0.00 35.03 34.57 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 -3.44 4.81 0.06 -5.58 2.47 -1.26 -5.00 114.94 107.01 2yrn s ASN 74 Ca 0.00 1.01 -0.19 0.00 0.42 0.00 0.00 52.86 54.10 2yrn s ASN 74 Cb 0.00 -1.66 -0.11 0.00 -1.45 0.00 0.00 41.25 38.03 2yrn s ASN 74 CO 0.00 -1.73 1.43 -0.09 -3.72 0.00 0.00 177.10 172.99 2yrn h ARG 75 N -0.93 0.43 0.08 0.43 9.65 -2.03 -3.23 114.38 118.77 2yrn h ARG 75 Ca -0.46 -0.19 -0.25 0.00 -1.10 0.00 0.00 59.98 57.99 2yrn h ARG 75 Cb 1.29 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 2yrn h ARG 75 CO 0.64 0.71 -1.13 0.77 2.80 0.00 0.00 179.97 183.76 2yrn h SER 76 N 0.13 0.29 -0.90 -3.80 0.02 -2.02 -3.33 113.55 103.94 2yrn h SER 76 Ca 0.05 -0.30 0.25 0.00 -0.84 0.00 0.00 61.79 60.95 2yrn h SER 76 Cb 0.58 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 62.86 2yrn h SER 76 CO 0.03 1.22 0.03 0.00 -1.14 0.00 0.00 176.83 176.96 2yrn n GLN 77 N -3.49 -0.07 -0.16 3.45 1.13 -1.22 0.15 117.38 117.16 2yrn n GLN 77 Ca -0.05 1.35 -0.07 0.00 -1.94 0.00 0.00 57.00 56.28 2yrn n GLN 77 Cb 0.98 -2.15 0.02 0.00 0.11 0.00 0.00 30.24 29.20 2yrn n GLN 77 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 2yrn h MET 78 N 0.00 0.62 -0.80 -1.09 2.86 -1.67 -2.96 114.93 111.89 2yrn h MET 78 Ca 0.55 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 58.27 2yrn h MET 78 Cb 1.14 -0.14 -0.13 0.00 0.06 0.00 0.00 31.60 32.53 2yrn h MET 78 CO -0.84 0.41 -0.42 0.82 1.06 0.00 0.00 176.91 177.93 2yrn h ILE 79 N 0.64 0.05 -0.20 -1.22 1.08 0.11 -0.37 117.51 117.60 2yrn h ILE 79 Ca 0.18 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.70 2yrn h ILE 79 Cb -0.06 0.05 -0.07 0.00 -3.07 0.00 0.00 36.82 33.67 2yrn h ILE 79 CO -0.05 0.00 -0.37 -0.33 -0.69 0.00 0.00 178.15 176.72 2yrn h GLU 80 N -0.10 -0.39 -0.27 2.37 4.39 -1.41 0.35 114.58 119.53 2yrn h GLU 80 Ca 0.25 0.03 0.02 0.00 0.34 0.00 0.00 59.36 60.00 2yrn h GLU 80 Cb 0.55 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2yrn h GLU 80 CO -0.84 -0.26 -0.16 0.09 -1.16 0.00 0.00 179.01 176.68 2yrn n ASN 81 N -5.42 -0.29 -0.26 1.42 4.13 -0.17 0.30 115.26 114.98 2yrn n ASN 81 Ca -0.02 1.13 0.06 0.00 1.68 0.00 0.00 54.58 57.42 2yrn n ASN 81 Cb 0.34 -0.38 0.29 0.00 -1.54 0.00 0.00 39.78 38.49 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 1.03 -0.26 2.41 2.04 -1.25 -2.30 117.51 119.18 2yrn h ILE 82 Ca 0.04 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2yrn h ILE 82 Cb 0.11 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.19 2yrn h ILE 82 CO -0.25 0.16 -0.06 -0.78 0.00 0.00 0.00 178.15 177.22 2yrn h ASP 83 N 0.90 -0.23 -0.99 1.72 3.58 0.21 -1.31 116.42 120.30 2yrn h ASP 83 Ca 0.37 0.08 0.18 0.00 0.42 0.00 0.00 57.03 58.07 2yrn h ASP 83 Cb 0.26 0.15 -0.10 0.00 1.72 0.00 0.00 39.33 41.37 2yrn h ASP 83 CO -0.14 -0.08 0.61 0.00 -2.88 0.00 0.00 179.24 176.76 2yrn h ALA 84 N 1.25 1.73 -0.25 -0.78 0.00 -0.05 -0.01 119.26 121.16 2yrn h ALA 84 Ca 0.12 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2yrn h ALA 84 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2yrn h ALA 84 CO -0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 179.25 178.86 2yrn h LEU 86 N 0.24 0.22 -1.06 0.00 3.38 -0.24 -0.27 115.31 117.57 2yrn h LEU 86 Ca 0.06 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2yrn h LEU 86 Cb 0.54 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2yrn h LEU 86 CO 0.03 0.18 -0.15 0.78 0.09 0.00 0.00 178.44 179.37 2yrn h ASN 87 N 0.23 0.48 0.12 -0.43 2.35 -1.05 -2.78 115.58 114.50 2yrn h ASN 87 Ca 0.07 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2yrn h ASN 87 Cb 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2yrn h ASN 87 CO -0.01 0.66 -0.06 0.15 -1.65 0.00 0.00 177.43 176.52 2yrn h PHE 88 N 0.45 -0.15 -0.95 1.19 3.04 -0.64 -2.89 116.94 116.99 2yrn h PHE 88 Ca 0.08 -0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.18 2yrn h PHE 88 Cb 0.53 0.05 -0.08 0.00 2.56 0.00 0.00 35.95 39.01 2yrn h PHE 88 CO 0.02 0.15 0.60 -0.07 -2.02 0.00 0.00 178.31 176.99 2yrn h LEU 89 N -0.46 0.76 -1.33 0.59 3.38 -0.99 0.69 115.31 117.94 2yrn h LEU 89 Ca -0.02 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2yrn h LEU 89 Cb 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2yrn h LEU 89 CO 0.03 0.37 0.19 0.00 0.09 0.00 0.00 178.44 179.11 2yrn h ALA 90 N 1.59 1.48 -0.11 1.53 0.00 -1.37 -2.00 119.26 120.37 2yrn h ALA 90 Ca 0.49 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 2yrn h ALA 90 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2yrn h ALA 90 CO -0.26 0.40 -0.39 0.00 0.00 0.00 0.00 179.25 179.01 2yrn h ALA 91 N 1.57 1.13 0.00 0.00 0.00 -0.67 -2.65 119.26 118.64 2yrn h ALA 91 Ca 0.16 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2yrn h ALA 91 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2yrn h ALA 91 CO -0.02 0.58 -0.22 0.87 0.00 0.00 0.00 179.25 180.45 2yrn h LYS 92 N 0.21 0.00 0.00 0.00 1.79 -0.99 -3.46 116.57 114.12 2yrn h LYS 92 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2yrn h LYS 92 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2yrn h LYS 92 CO 0.06 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.07 2yrn n GLY 93 N 0.03 1.30 3.41 3.86 0.00 -1.00 -5.13 105.19 107.66 2yrn n GLY 93 Ca -0.00 0.00 -0.30 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 2.43 -0.39 -0.61 1.01 -0.99 -5.01 121.20 115.65 2yrn s ILE 94 Ca 0.00 -1.56 -0.22 0.00 0.00 0.00 0.00 60.65 58.87 2yrn s ILE 94 Cb 0.00 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.43 2yrn s ILE 94 CO 0.00 0.18 0.73 0.21 0.00 0.00 0.00 174.94 176.05 2yrn s ASN 95 N -1.84 6.46 -0.00 3.58 2.47 -1.26 -4.10 114.94 120.24 2yrn s ASN 95 Ca 0.15 0.11 0.10 0.00 0.42 0.00 0.00 52.86 53.64 2yrn s ASN 95 Cb -0.10 -2.37 -0.13 0.00 -1.45 0.00 0.00 41.25 37.20 2yrn s ASN 95 CO 0.06 -0.74 0.36 2.30 -3.72 0.00 0.00 177.10 175.36 2yrn n ILE 96 N 5.82 0.00 -1.51 -5.21 -5.35 -1.26 -4.97 119.36 106.88 2yrn n ILE 96 Ca 0.01 -0.25 -0.40 0.00 -0.27 0.00 0.00 62.75 61.84 2yrn n ILE 96 Cb 0.48 0.75 -0.11 0.00 -1.74 0.00 0.00 39.64 39.03 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 -1.45 0.37 0.00 6.28 6.02 -1.26 -1.33 117.38 126.01 2yrn n GLN 97 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2yrn n GLN 97 Cb 0.20 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.28 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 6.35 3.95 3.37 1.08 0.00 -1.26 -5.14 105.19 113.54 2yrn n GLY 98 Ca 0.56 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.72 -0.29 0.99 1.43 -0.44 -5.07 118.68 114.59 2yrn s LEU 99 Ca 0.00 0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 53.83 2yrn s LEU 99 Cb 0.00 -2.20 0.18 0.00 0.03 0.00 0.00 46.19 44.20 2yrn s LEU 99 CO 0.00 -5.12 0.55 -0.44 0.23 0.00 0.00 176.35 171.57 2yrn s SER 100 N -3.42 -1.08 0.32 2.29 0.01 -1.26 -5.03 113.70 105.53 2yrn s SER 100 Ca 0.70 0.64 0.09 0.00 1.31 0.00 0.00 55.95 58.68 2yrn s SER 100 Cb -0.11 1.94 0.93 0.00 0.21 0.00 0.00 66.02 68.98 2yrn s SER 100 CO 0.57 -0.27 1.63 0.00 0.41 0.00 0.00 173.24 175.57 2yrn h ALA 101 N 8.04 1.60 0.01 1.44 0.00 -1.93 0.21 119.26 128.62 2yrn h ALA 101 Ca -0.19 0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2yrn h ALA 101 Cb 1.16 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2yrn h ALA 101 CO 0.25 -0.59 -0.09 1.49 0.00 0.00 0.00 179.25 180.31 2yrn h GLU 102 N 0.17 -0.15 -0.35 0.00 4.81 -1.96 -0.29 114.58 116.82 2yrn h GLU 102 Ca 0.66 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.95 2yrn h GLU 102 Cb 1.48 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.84 2yrn h GLU 102 CO -0.70 -0.10 0.07 0.93 -0.73 0.00 0.00 179.01 178.48 2yrn h GLU 103 N -0.16 0.19 -0.64 1.92 4.39 -1.05 -1.42 114.58 117.81 2yrn h GLU 103 Ca 0.03 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.75 2yrn h GLU 103 Cb 0.20 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2yrn h GLU 103 CO -0.08 0.12 0.40 0.82 -1.16 0.00 0.00 179.01 179.11 2yrn h ILE 104 N 0.19 1.09 -0.01 3.13 2.04 -1.03 -1.42 117.51 121.51 2yrn h ILE 104 Ca 0.16 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2yrn h ILE 104 Cb 0.18 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2yrn h ILE 104 CO -0.21 0.15 -0.08 -0.09 0.00 0.00 0.00 178.15 177.91 2yrn h ARG 105 N 0.80 0.01 0.00 2.37 2.43 -0.43 -1.27 114.38 118.29 2yrn h ARG 105 Ca 0.26 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 2yrn h ARG 105 Cb 0.00 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2yrn h ARG 105 CO -0.10 0.09 -0.45 -0.91 -1.51 0.00 0.00 179.97 177.09 2yrn h ASN 106 N 0.01 0.00 -0.02 -3.80 2.35 -0.21 -3.45 115.58 110.46 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 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2yrn h ASN 106 CO 0.01 0.45 0.00 0.61 -1.65 0.00 0.00 177.43 176.85 2yrn n GLY 107 N 0.33 1.66 3.62 2.83 0.00 -0.48 -5.04 105.19 108.12 2yrn n GLY 107 Ca -0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.14 6.79 0.31 1.61 2.47 -1.14 -4.85 114.94 117.99 2yrn s ASN 108 Ca 0.00 0.78 0.07 0.00 0.42 0.00 0.00 52.86 54.13 2yrn s ASN 108 Cb 0.00 -2.51 0.77 0.00 -1.45 0.00 0.00 41.25 38.06 2yrn s ASN 108 CO 0.00 -0.93 1.77 0.25 -3.72 0.00 0.00 177.10 174.47 2yrn h LEU 109 N 10.26 0.76 -2.34 3.21 5.85 -1.97 0.53 115.31 131.62 2yrn h LEU 109 Ca -0.22 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2yrn h LEU 109 Cb 1.07 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2yrn h LEU 109 CO 1.03 0.25 0.06 0.11 -0.34 0.00 0.00 178.44 179.54 2yrn h LYS 110 N 0.73 0.00 0.00 1.25 1.79 -1.97 -0.15 116.57 118.22 2yrn h LYS 110 Ca 0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 2yrn h LYS 110 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 2yrn h LYS 110 CO -0.39 0.00 -0.32 0.00 -1.08 0.00 0.00 179.45 177.66 2yrn h ALA 111 N 1.94 0.00 -0.17 3.86 0.00 -0.33 -3.30 119.26 121.26 2yrn h ALA 111 Ca 0.03 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2yrn h ALA 111 Cb 0.14 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2yrn h ALA 111 CO -0.00 0.32 -0.33 0.82 0.00 0.00 0.00 179.25 180.06 2yrn h ILE 112 N -0.94 0.27 -0.91 0.00 5.03 -1.20 -0.89 117.51 118.87 2yrn h ILE 112 Ca 0.00 0.00 0.23 0.00 -0.12 0.00 0.00 64.86 64.97 2yrn h ILE 112 Cb 0.32 0.27 -0.13 0.00 -3.03 0.00 0.00 36.82 34.25 2yrn h ILE 112 CO 0.00 0.00 0.41 -0.07 -0.68 0.00 0.00 178.15 177.81 2yrn h LEU 113 N -0.38 0.35 -0.83 1.44 3.38 -1.23 0.16 115.31 118.20 2yrn h LEU 113 Ca 0.10 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2yrn h LEU 113 Cb 0.55 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2yrn h LEU 113 CO -0.38 -0.02 0.51 1.23 0.09 0.00 0.00 178.44 179.87 2yrn h GLY 114 N 0.39 1.19 0.89 0.83 0.00 -1.25 0.21 103.07 105.32 2yrn h GLY 114 Ca 0.58 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2yrn h GLY 114 CO -0.54 0.46 -0.31 -2.00 0.00 0.00 0.00 176.54 174.16 2yrn h LEU 115 N 1.13 -0.73 -1.50 3.11 6.46 -0.22 -1.92 115.31 121.64 2yrn h LEU 115 Ca 0.30 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 2yrn h LEU 115 Cb -0.07 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2yrn h LEU 115 CO -0.06 -0.44 0.00 -0.26 -0.62 0.00 0.00 178.44 177.06 2yrn h PHE 116 N -0.98 0.00 -0.00 1.25 0.04 -1.32 0.23 116.94 116.16 2yrn h PHE 116 Ca -0.09 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.45 2yrn h PHE 116 Cb 0.70 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.85 2yrn h PHE 116 CO -0.01 0.00 -0.96 0.35 -0.60 0.00 0.00 178.31 177.09 2yrn h PHE 117 N 0.00 0.74 0.09 -0.55 3.04 -0.19 -3.05 116.94 117.01 2yrn h PHE 117 Ca 0.00 -0.40 -0.37 0.00 3.98 0.00 0.00 57.97 61.18 2yrn h PHE 117 Cb 0.27 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 2yrn h PHE 117 CO 0.00 1.22 -2.11 0.43 -2.02 0.00 0.00 178.31 175.83 2yrn n SER 118 N -3.78 2.02 0.10 0.41 7.64 -0.76 -4.19 113.62 115.06 2yrn n SER 118 Ca -0.08 0.13 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 2yrn n SER 118 Cb 0.84 -0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2yrn h LEU 119 N 0.05 -0.90 -0.86 -3.43 5.85 -0.69 -2.02 115.31 113.31 2yrn h LEU 119 Ca -0.46 0.11 0.22 0.00 0.84 0.00 0.00 57.88 58.59 2yrn h LEU 119 Cb 2.01 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 43.25 2yrn h LEU 119 CO 0.05 -0.39 0.25 -1.28 -0.34 0.00 0.00 178.44 176.72 2yrn h SER 120 N -0.51 0.05 -0.62 1.25 0.87 -1.74 0.22 113.55 113.07 2yrn h SER 120 Ca 0.04 0.18 0.12 0.00 -1.23 0.00 0.00 61.79 60.91 2yrn h SER 120 Cb 0.56 0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 62.63 2yrn h SER 120 CO -0.21 -0.11 -0.21 0.03 -0.53 0.00 0.00 176.83 175.80 2yrn h ARG 121 N 0.25 -0.05 -0.98 2.24 3.08 -1.53 0.28 114.38 117.67 2yrn h ARG 121 Ca 0.53 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.73 2yrn h ARG 121 Cb 1.03 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.94 2yrn h ARG 121 CO -0.61 -0.03 -0.40 0.98 -1.07 0.00 0.00 179.97 178.84 2yrn n TYR 122 N -5.44 -0.00 0.01 3.04 4.19 0.07 -0.95 117.16 118.07 2yrn n TYR 122 Ca 0.07 1.21 -0.10 0.00 3.31 0.00 0.00 57.90 62.39 2yrn n TYR 122 Cb 0.34 -0.84 -0.07 0.00 0.49 0.00 0.00 39.34 39.25 2yrn n TYR 122 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 2yrn h LYS 123 N 0.00 -0.14 -0.72 2.98 1.63 -1.30 -2.71 116.57 116.31 2yrn h LYS 123 Ca 0.33 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.22 2yrn h LYS 123 Cb 0.57 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.13 2yrn h LYS 123 CO -0.97 0.33 -0.36 1.04 -3.45 0.00 0.00 179.45 176.04 2yrn n GLN 124 N -4.84 -0.25 -0.18 1.90 1.13 0.85 0.14 117.38 116.13 2yrn n GLN 124 Ca -0.07 1.09 -0.10 0.00 -1.94 0.00 0.00 57.00 55.98 2yrn n GLN 124 Cb 0.26 -1.61 0.01 0.00 0.11 0.00 0.00 30.24 29.01 2yrn n GLN 124 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2yrn h GLN 125 N 0.00 1.03 -5.63 -1.09 4.15 -1.17 -3.40 115.11 109.00 2yrn h GLN 125 Ca 0.18 -0.39 -0.37 0.00 0.77 0.00 0.00 58.65 58.83 2yrn h GLN 125 Cb 0.36 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 2yrn h GLN 125 CO -0.69 1.08 1.25 -1.14 -1.93 0.00 0.00 178.83 177.40 2yrn s GLN 126 N -4.81 2.10 -0.06 1.69 -0.44 0.37 -4.90 119.66 113.61 2yrn s GLN 126 Ca -0.11 1.03 -0.04 0.00 -2.50 0.00 0.00 55.36 53.74 2yrn s GLN 126 Cb 0.13 -4.62 0.02 0.00 -1.64 0.00 0.00 33.01 26.91 2yrn s GLN 126 CO 0.87 -3.43 0.14 -0.65 0.50 0.00 0.00 175.29 172.72 2yrn s GLN 127 N 8.15 0.13 0.04 1.67 -1.52 -1.26 -4.87 119.66 122.01 2yrn s GLN 127 Ca 0.91 0.25 0.06 0.00 -1.95 0.00 0.00 55.36 54.62 2yrn s GLN 127 Cb -0.15 -0.02 -0.02 0.00 -0.22 0.00 0.00 33.01 32.60 2yrn s GLN 127 CO 0.21 -0.07 -0.16 -0.65 -0.25 0.00 0.00 175.29 174.36 2yrn s GLN 128 N 0.46 1.06 0.00 2.91 -0.21 -1.26 -5.23 119.66 117.39 2yrn s GLN 128 Ca -0.03 -0.83 0.16 0.00 0.02 0.00 0.00 55.36 54.68 2yrn s GLN 128 Cb -0.05 -1.10 0.93 0.00 1.00 0.00 0.00 33.01 33.79 2yrn s GLN 128 CO -0.02 0.27 1.35 -0.35 -2.12 0.00 0.00 175.29 174.42