#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f1r s ILE 4 N 0.00 4.45 -0.03 1.96 1.01 -1.26 -0.82 121.20 126.52 2f1r s ILE 4 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2f1r s ILE 4 Cb 0.00 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.48 2f1r s ILE 4 CO 0.00 0.46 -0.04 -0.22 0.00 0.00 0.00 174.94 175.14 2f1r s LEU 5 N 0.51 1.54 -0.13 2.97 2.96 -0.16 -4.68 118.68 121.69 2f1r s LEU 5 Ca 0.01 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 2f1r s LEU 5 Cb -0.13 -0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.19 2f1r s LEU 5 CO 0.01 -0.02 0.26 -0.44 -1.32 0.00 0.00 176.35 174.84 2f1r s SER 6 N 0.55 6.46 -0.30 3.68 0.01 -0.71 -0.61 113.70 122.79 2f1r s SER 6 Ca -0.06 0.55 -0.08 0.00 1.31 0.00 0.00 55.95 57.66 2f1r s SER 6 Cb -0.10 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2f1r s SER 6 CO -0.00 0.22 0.12 -0.63 0.41 0.00 0.00 173.24 173.35 2f1r s ILE 7 N -0.17 4.29 0.25 1.44 1.09 0.30 -0.65 121.20 127.75 2f1r s ILE 7 Ca 0.16 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 59.19 2f1r s ILE 7 Cb -0.13 -3.20 -0.05 0.00 -1.06 0.00 0.00 42.46 38.01 2f1r s ILE 7 CO 0.05 0.07 0.00 0.68 -0.10 0.00 0.00 174.94 175.64 2f1r s VAL 8 N 1.56 1.11 -5.00 2.92 -7.23 -0.19 -1.64 120.40 111.93 2f1r s VAL 8 Ca 0.04 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2f1r s VAL 8 Cb -0.17 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2f1r s VAL 8 CO 0.04 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2f1r n GLY 9 N -0.48 0.06 3.88 2.32 0.00 -1.26 -0.15 105.19 109.58 2f1r n GLY 9 Ca -0.04 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 2f1r n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f1r s THR 10 N -3.52 4.81 0.25 2.61 -4.23 -1.00 -4.96 115.64 109.61 2f1r s THR 10 Ca 0.00 0.52 -0.27 0.00 -1.18 0.00 0.00 61.69 60.76 2f1r s THR 10 Cb 0.00 -3.79 -0.16 0.00 1.34 0.00 0.00 72.50 69.89 2f1r s THR 10 CO 0.00 -0.69 0.58 -1.20 -0.54 0.00 0.00 174.62 172.77 2f1r n SER 11 N -1.75 -0.86 -0.94 3.99 7.64 -1.26 -4.57 113.62 115.87 2f1r n SER 11 Ca 0.02 1.10 -0.00 0.00 1.01 0.00 0.00 58.87 60.99 2f1r n SER 11 Cb 0.54 -1.02 0.07 0.00 -1.01 0.00 0.00 64.21 62.79 2f1r n SER 11 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2f1r n SER 13 N 1.82 2.36 -0.01 6.43 3.41 -1.26 -4.95 113.62 121.43 2f1r n SER 13 Ca 0.15 -2.24 -0.11 0.00 -0.26 0.00 0.00 58.87 56.40 2f1r n SER 13 Cb 0.29 -0.55 0.02 0.00 -0.26 0.00 0.00 64.21 63.70 2f1r n SER 13 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2f1r h GLY 14 N 4.36 0.69 0.96 5.00 0.00 -1.96 -2.61 103.07 109.51 2f1r h GLY 14 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.53 2f1r h GLY 14 CO 0.15 0.75 -0.03 0.50 0.00 0.00 0.00 176.54 177.91 2f1r h LYS 15 N 0.47 -0.06 0.13 4.80 1.57 -1.89 -2.26 116.57 119.33 2f1r h LYS 15 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f1r h LYS 15 Cb 1.17 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2f1r h LYS 15 CO 0.12 -0.04 -0.12 1.15 -0.57 0.00 0.00 179.45 179.99 2f1r h THR 16 N -0.06 0.74 -0.88 -0.16 2.02 -1.96 -1.62 112.91 110.98 2f1r h THR 16 Ca 0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 2f1r h THR 16 Cb 0.06 0.74 -0.09 0.00 -1.74 0.00 0.00 68.15 67.13 2f1r h THR 16 CO -0.01 0.00 0.50 0.74 0.37 0.00 0.00 175.52 177.12 2f1r h THR 17 N -0.27 0.82 0.15 3.16 2.02 -1.48 0.07 112.91 117.38 2f1r h THR 17 Ca -0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2f1r h THR 17 Cb 0.25 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2f1r h THR 17 CO -0.02 0.14 -0.07 0.25 0.37 0.00 0.00 175.52 176.19 2f1r h LEU 18 N 0.76 -0.17 -0.37 2.58 5.85 -1.03 0.13 115.31 123.06 2f1r h LEU 18 Ca 0.46 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2f1r h LEU 18 Cb 0.55 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 2f1r h LEU 18 CO -0.31 0.10 -0.01 0.40 -0.34 0.00 0.00 178.44 178.28 2f1r h ILE 19 N -0.44 0.71 -0.18 4.05 2.04 -1.01 0.15 117.51 122.83 2f1r h ILE 19 Ca -0.02 -0.03 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 2f1r h ILE 19 Cb 0.35 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2f1r h ILE 19 CO 0.03 0.02 -0.55 0.71 0.00 0.00 0.00 178.15 178.35 2f1r h THR 20 N 0.08 1.32 -0.05 -0.27 1.35 -0.86 -1.25 112.91 113.23 2f1r h THR 20 Ca 0.18 -1.81 -0.19 0.00 -0.55 0.00 0.00 66.41 64.04 2f1r h THR 20 Cb 0.25 1.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2f1r h THR 20 CO -0.31 0.56 -0.78 0.03 -0.25 0.00 0.00 175.52 174.77 2f1r h ARG 21 N 0.42 0.37 0.00 4.72 3.08 -0.35 -2.94 114.38 119.69 2f1r h ARG 21 Ca 0.01 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.68 2f1r h ARG 21 Cb 1.10 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2f1r h ARG 21 CO 0.10 0.98 -0.23 0.52 -1.07 0.00 0.00 179.97 180.28 2f1r h MET 22 N 0.24 0.00 -0.41 0.04 2.86 -0.46 -3.38 114.93 113.81 2f1r h MET 22 Ca -0.04 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2f1r h MET 22 Cb 1.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 2f1r h MET 22 CO 0.13 0.23 0.22 1.98 1.06 0.00 0.00 176.91 180.53 2f1r h MET 23 N 0.00 0.43 -0.91 1.72 -1.53 -1.04 -1.76 114.93 111.84 2f1r h MET 23 Ca -0.00 -0.03 0.09 0.00 -3.44 0.00 0.00 59.70 56.32 2f1r h MET 23 Cb 0.64 -0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 31.52 2f1r h MET 23 CO 0.03 0.29 0.56 -1.35 0.14 0.00 0.00 176.91 176.58 2f1r h PRO 24 N 0.45 0.94 -0.35 0.39 0.11 -1.75 -0.69 132.00 131.10 2f1r h PRO 24 Ca 0.17 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 2f1r h PRO 24 Cb 0.05 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2f1r h PRO 24 CO -0.10 0.62 0.08 0.82 -0.21 0.00 0.00 178.00 179.21 2f1r h ILE 25 N 0.97 1.23 -0.79 4.15 2.04 -1.61 -0.57 117.51 122.92 2f1r h ILE 25 Ca 0.42 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 2f1r h ILE 25 Cb 0.31 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2f1r h ILE 25 CO -0.22 0.26 0.35 -0.07 0.00 0.00 0.00 178.15 178.47 2f1r h LEU 26 N 0.41 1.06 -0.24 1.44 3.38 -0.87 -2.98 115.31 117.51 2f1r h LEU 26 Ca 0.11 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 2f1r h LEU 26 Cb 0.31 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2f1r h LEU 26 CO 0.00 0.92 -0.78 0.03 0.09 0.00 0.00 178.44 178.70 2f1r h ARG 27 N 1.13 0.63 -0.52 1.13 2.47 -1.09 -2.80 114.38 115.34 2f1r h ARG 27 Ca 0.27 -0.53 0.15 0.00 -1.26 0.00 0.00 59.98 58.61 2f1r h ARG 27 Cb 0.17 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 2f1r h ARG 27 CO -0.03 1.15 0.40 0.93 0.56 0.00 0.00 179.97 182.99 2f1r h GLU 28 N 0.43 0.00 -0.07 0.04 5.08 -1.04 0.11 114.58 119.14 2f1r h GLU 28 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2f1r h GLU 28 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2f1r h GLU 28 CO 0.15 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.70 2f1r n ARG 29 N -4.21 1.24 -0.76 2.33 5.12 -1.07 -4.89 116.66 114.41 2f1r n ARG 29 Ca 0.10 -0.37 0.00 0.00 -1.93 0.00 0.00 57.85 55.65 2f1r n ARG 29 Cb 0.62 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 2f1r n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f1r n GLY 30 N 0.86 0.53 3.79 -0.13 0.00 0.40 -5.06 105.19 105.57 2f1r n GLY 30 Ca 0.13 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 2f1r n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f1r s LEU 31 N 0.00 4.49 -0.21 0.99 1.43 -1.12 -5.03 118.68 119.23 2f1r s LEU 31 Ca 0.00 1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 54.46 2f1r s LEU 31 Cb 0.00 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 2f1r s LEU 31 CO 0.00 0.15 0.38 -0.13 0.23 0.00 0.00 176.35 176.99 2f1r s ARG 32 N -1.44 4.15 -0.04 1.70 0.52 -1.26 -4.44 118.95 118.13 2f1r s ARG 32 Ca 0.37 0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.78 2f1r s ARG 32 Cb -0.20 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 31.71 2f1r s ARG 32 CO 0.23 -0.06 -0.15 0.08 0.02 0.00 0.00 175.30 175.42 2f1r s VAL 33 N 1.39 1.25 0.11 3.52 1.01 -1.26 -1.20 120.40 125.22 2f1r s VAL 33 Ca 0.18 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.64 2f1r s VAL 33 Cb -0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2f1r s VAL 33 CO 0.08 0.36 -0.24 0.00 0.00 0.00 0.00 175.10 175.31 2f1r s ALA 34 N 0.07 2.48 -0.15 5.51 0.00 -0.67 -5.02 121.76 123.98 2f1r s ALA 34 Ca -0.03 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.55 2f1r s ALA 34 Cb -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2f1r s ALA 34 CO 0.02 0.56 -0.20 0.08 0.00 0.00 0.00 175.76 176.21 2f1r s VAL 35 N -1.05 1.97 -0.41 0.00 1.01 -1.26 -1.34 120.40 119.32 2f1r s VAL 35 Ca 0.15 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 2f1r s VAL 35 Cb -0.10 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2f1r s VAL 35 CO 0.07 0.53 0.42 -0.69 0.00 0.00 0.00 175.10 175.42 2f1r s VAL 36 N 0.98 5.11 -0.28 2.92 1.01 -0.13 -4.98 120.40 125.03 2f1r s VAL 36 Ca -0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 2f1r s VAL 36 Cb -0.15 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2f1r s VAL 36 CO -0.05 -0.37 0.12 -0.54 0.00 0.00 0.00 175.10 174.26 2f1r s LYS 37 N 2.08 3.50 -0.09 2.72 1.02 -1.26 -0.55 119.74 127.16 2f1r s LYS 37 Ca 0.11 -0.59 -0.24 0.00 0.02 0.00 0.00 55.97 55.27 2f1r s LYS 37 Cb -0.17 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 2f1r s LYS 37 CO 0.13 -0.31 0.72 0.50 -0.92 0.00 0.00 175.35 175.47 2f1r s ARG 38 N 1.62 4.40 -0.41 1.68 3.52 -1.25 -5.02 118.95 123.49 2f1r s ARG 38 Ca 0.05 0.88 -0.11 0.00 -0.13 0.00 0.00 55.73 56.42 2f1r s ARG 38 Cb -0.16 -3.48 0.06 0.00 -1.56 0.00 0.00 34.95 29.80 2f1r s ARG 38 CO 0.05 -0.03 0.27 -1.01 -0.81 0.00 0.00 175.30 173.78 2f1r s HIS 39 N 1.12 3.28 -0.25 5.12 3.76 -1.26 -4.88 115.29 122.18 2f1r s HIS 39 Ca 0.37 -1.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 2f1r s HIS 39 Cb -0.17 -2.79 0.00 0.00 1.11 0.00 0.00 32.58 30.73 2f1r s HIS 39 CO 0.17 -0.75 0.16 0.00 -0.85 0.00 0.00 174.74 173.46 2f1r n ALA 40 N 5.01 1.58 -0.37 -1.40 0.00 -1.26 -5.17 120.51 118.91 2f1r n ALA 40 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2f1r n ALA 40 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2f1r n ALA 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2f1r n ASP 52 N 0.78 0.00 0.24 0.00 9.92 -1.26 -5.26 116.55 120.97 2f1r n ASP 52 Ca 0.00 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.36 2f1r n ASP 52 Cb 0.08 0.00 0.62 0.00 -0.64 0.00 0.00 41.12 41.18 2f1r n ASP 52 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2f1r h SER 53 N 0.00 0.00 -0.57 -2.24 4.64 -2.03 -3.05 113.55 110.30 2f1r h SER 53 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2f1r h SER 53 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2f1r h SER 53 CO 0.00 0.18 0.10 -0.25 -0.87 0.00 0.00 176.83 175.98 2f1r h TRP 54 N 0.00 1.00 -0.85 4.77 7.01 -2.01 0.17 115.95 126.05 2f1r h TRP 54 Ca -0.00 -0.14 0.05 0.00 2.11 0.00 0.00 58.89 60.91 2f1r h TRP 54 Cb 0.44 -0.28 -0.06 0.00 -2.10 0.00 0.00 29.16 27.17 2f1r h TRP 54 CO 0.00 0.88 0.53 0.87 -2.79 0.00 0.00 178.44 177.93 2f1r h LYS 55 N 0.84 0.97 0.22 2.65 1.57 -1.95 0.75 116.57 121.62 2f1r h LYS 55 Ca 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2f1r h LYS 55 Cb 0.41 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2f1r h LYS 55 CO 0.01 0.64 -0.11 0.82 -0.57 0.00 0.00 179.45 180.24 2f1r h ILE 56 N 1.00 0.80 -0.56 1.86 2.04 -1.36 -0.62 117.51 120.68 2f1r h ILE 56 Ca 0.36 -0.84 0.11 0.00 1.00 0.00 0.00 64.86 65.49 2f1r h ILE 56 Cb 0.11 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 2f1r h ILE 56 CO -0.15 0.17 0.02 0.22 0.00 0.00 0.00 178.15 178.41 2f1r h TYR 57 N -0.77 0.00 0.00 1.37 3.20 -0.58 -1.85 116.97 118.34 2f1r h TYR 57 Ca -0.03 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2f1r h TYR 57 Cb 0.51 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2f1r h TYR 57 CO 0.05 -0.12 -0.18 -0.97 -1.64 0.00 0.00 178.16 175.31 2f1r h ASN 58 N 0.14 0.00 0.93 -2.11 -1.24 0.62 -1.57 115.58 112.35 2f1r h ASN 58 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.30 2f1r h ASN 58 Cb 0.44 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.49 2f1r h ASN 58 CO -0.45 0.18 0.00 0.77 -1.29 0.00 0.00 177.43 176.63 2f1r h SER 59 N 0.00 0.00 0.00 1.15 4.64 -0.24 -3.46 113.55 115.64 2f1r h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2f1r h SER 59 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2f1r h SER 59 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2f1r n GLY 60 N 0.23 0.53 3.74 -0.77 0.00 -0.59 -5.10 105.19 103.23 2f1r n GLY 60 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2f1r n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f1r s ALA 61 N -1.29 3.47 0.59 4.61 0.00 -1.14 -5.03 121.76 122.96 2f1r s ALA 61 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 2f1r s ALA 61 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2f1r s ALA 61 CO 0.00 0.67 1.04 -0.51 0.00 0.00 0.00 175.76 176.95 2f1r s ASP 62 N -1.60 5.96 -0.04 0.00 1.01 -1.26 -3.76 116.67 116.98 2f1r s ASP 62 Ca 0.21 1.71 0.03 0.00 0.71 0.00 0.00 52.55 55.21 2f1r s ASP 62 Cb -0.12 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.30 2f1r s ASP 62 CO 0.12 -1.04 -0.12 -0.69 0.21 0.00 0.00 175.17 173.65 2f1r s VAL 63 N -2.60 1.03 -0.21 -1.27 1.01 -0.34 -4.91 120.40 113.11 2f1r s VAL 63 Ca 0.61 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 2f1r s VAL 63 Cb -0.14 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2f1r s VAL 63 CO 0.38 0.32 0.10 -0.69 0.00 0.00 0.00 175.10 175.21 2f1r s VAL 64 N 0.31 4.94 -0.31 2.92 1.01 -1.26 -0.44 120.40 127.57 2f1r s VAL 64 Ca -0.07 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2f1r s VAL 64 Cb -0.12 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2f1r s VAL 64 CO 0.02 0.41 0.11 -0.63 0.00 0.00 0.00 175.10 175.01 2f1r s ILE 65 N 0.71 4.09 -0.16 2.22 1.01 0.86 -4.99 121.20 124.95 2f1r s ILE 65 Ca 0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 2f1r s ILE 65 Cb -0.13 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2f1r s ILE 65 CO 0.02 0.00 0.03 0.00 0.00 0.00 0.00 174.94 175.00 2f1r s ALA 66 N 1.51 3.33 0.26 9.38 0.00 -1.26 -1.07 121.76 133.90 2f1r s ALA 66 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.23 2f1r s ALA 66 Cb -0.18 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2f1r s ALA 66 CO 0.03 0.29 0.13 -1.54 0.00 0.00 0.00 175.76 174.67 2f1r s SER 67 N 0.05 1.02 0.32 0.00 1.04 -0.77 -5.05 113.70 110.32 2f1r s SER 67 Ca 0.04 -1.44 0.04 0.00 0.48 0.00 0.00 55.95 55.06 2f1r s SER 67 Cb -0.12 0.29 0.64 0.00 0.10 0.00 0.00 66.02 66.92 2f1r s SER 67 CO 0.01 -0.81 1.90 1.55 0.98 0.00 0.00 173.24 176.87 2f1r h PRO 68 N 2.39 0.87 0.00 4.02 0.13 -2.06 -3.28 132.00 134.08 2f1r h PRO 68 Ca -0.36 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2f1r h PRO 68 Cb 1.25 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2f1r h PRO 68 CO 0.56 0.58 0.00 1.33 -0.23 0.00 0.00 178.00 180.23 2f1r n VAL 69 N -4.52 0.68 -3.76 1.56 0.24 -1.26 -5.05 118.33 106.23 2f1r n VAL 69 Ca 0.15 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 61.58 2f1r n VAL 69 Cb 0.29 0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 33.24 2f1r n VAL 69 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2f1r s LYS 70 N -0.68 0.34 -0.05 7.34 2.20 -1.24 -5.15 119.74 122.51 2f1r s LYS 70 Ca 0.00 0.46 0.06 0.00 -0.36 0.00 0.00 55.97 56.13 2f1r s LYS 70 Cb 0.00 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.44 2f1r s LYS 70 CO 0.00 -0.06 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.53 2f1r s LEU 71 N 0.36 2.02 -0.06 5.43 0.20 -1.26 -1.85 118.68 123.52 2f1r s LEU 71 Ca -0.02 -0.45 0.05 0.00 0.69 0.00 0.00 54.13 54.41 2f1r s LEU 71 Cb -0.03 -1.23 -0.01 0.00 -0.43 0.00 0.00 46.19 44.49 2f1r s LEU 71 CO -0.01 0.22 -0.22 0.00 -0.29 0.00 0.00 176.35 176.05 2f1r s ALA 72 N -0.15 1.91 -0.13 5.97 0.00 -0.23 -4.99 121.76 124.13 2f1r s ALA 72 Ca -0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 2f1r s ALA 72 Cb -0.12 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.41 2f1r s ALA 72 CO 0.03 0.35 -0.07 0.12 0.00 0.00 0.00 175.76 176.19 2f1r s PHE 73 N -0.04 1.57 -0.18 0.00 5.36 -1.26 -0.10 117.98 123.33 2f1r s PHE 73 Ca -0.05 -0.87 -0.01 0.00 -0.96 0.00 0.00 56.93 55.05 2f1r s PHE 73 Cb -0.13 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.28 2f1r s PHE 73 CO 0.04 -0.55 -0.14 0.42 -1.46 0.00 0.00 175.22 173.52 2f1r s ILE 74 N 1.68 2.62 0.03 3.12 1.09 0.42 -5.00 121.20 125.15 2f1r s ILE 74 Ca 0.03 -0.76 0.03 0.00 -1.10 0.00 0.00 60.65 58.85 2f1r s ILE 74 Cb -0.13 -2.13 -0.02 0.00 -1.06 0.00 0.00 42.46 39.12 2f1r s ILE 74 CO -0.08 0.50 -0.09 0.00 -0.10 0.00 0.00 174.94 175.17 2f1r s ARG 75 N 1.16 0.59 0.33 2.79 1.70 -1.26 -1.20 118.95 123.06 2f1r s ARG 75 Ca 0.01 -0.64 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 2f1r s ARG 75 Cb -0.14 -0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 33.67 2f1r s ARG 75 CO -0.06 0.10 1.37 1.03 -1.08 0.00 0.00 175.30 176.66 2f1r s ARG 76 N -1.18 4.29 0.09 3.89 0.52 -1.26 -5.05 118.95 120.25 2f1r s ARG 76 Ca -0.05 2.31 0.04 0.00 -0.52 0.00 0.00 55.73 57.52 2f1r s ARG 76 Cb -0.08 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 2f1r s ARG 76 CO 0.01 -0.30 -0.12 0.14 0.02 0.00 0.00 175.30 175.05 2f1r s VAL 77 N -0.99 1.03 0.79 3.52 -7.23 -1.26 -5.11 120.40 111.16 2f1r s VAL 77 Ca 0.51 -1.50 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 2f1r s VAL 77 Cb -0.42 -1.23 0.07 0.00 0.56 0.00 0.00 36.38 35.36 2f1r s VAL 77 CO 0.54 -0.42 1.09 -0.94 -0.31 0.00 0.00 175.10 175.06 2f1r s SER 78 N -2.15 4.42 0.26 4.85 1.04 -1.26 -4.80 113.70 116.05 2f1r s SER 78 Ca 0.02 1.58 -0.02 0.00 0.48 0.00 0.00 55.95 58.02 2f1r s SER 78 Cb -0.06 -2.32 0.50 0.00 0.10 0.00 0.00 66.02 64.24 2f1r s SER 78 CO 0.01 -2.05 1.79 -0.33 0.98 0.00 0.00 173.24 173.64 2f1r h GLU 79 N -1.14 0.70 -0.46 4.02 5.08 -2.01 -0.06 114.58 120.71 2f1r h GLU 79 Ca -0.46 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 2f1r h GLU 79 Cb 1.25 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2f1r h GLU 79 CO 0.55 0.47 -0.12 0.93 -1.00 0.00 0.00 179.01 179.84 2f1r h GLU 80 N 0.72 0.85 -0.01 2.33 3.07 -1.97 -1.68 114.58 117.88 2f1r h GLU 80 Ca 0.45 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2f1r h GLU 80 Cb 0.55 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2f1r h GLU 80 CO -0.31 0.92 -0.02 0.93 -1.40 0.00 0.00 179.01 179.13 2f1r h GLU 81 N 0.76 0.03 -0.10 2.33 5.08 -1.76 -3.16 114.58 117.75 2f1r h GLU 81 Ca 0.12 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2f1r h GLU 81 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2f1r h GLU 81 CO 0.04 0.57 -0.09 0.78 -1.00 0.00 0.00 179.01 179.32 2f1r h GLY 82 N -0.51 0.16 -0.64 -3.84 0.00 -0.99 -1.94 103.07 95.31 2f1r h GLY 82 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2f1r h GLY 82 CO 0.00 0.08 0.00 0.70 0.00 0.00 0.00 176.54 177.32 2f1r n ASN 83 N -4.36 1.59 -4.29 0.19 5.03 -0.64 -4.77 115.26 108.01 2f1r n ASN 83 Ca -0.01 -1.60 -0.45 0.00 0.87 0.00 0.00 54.58 53.39 2f1r n ASN 83 Cb 0.21 -0.05 -0.05 0.00 -1.02 0.00 0.00 39.78 38.87 2f1r n ASN 83 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2f1r s ASP 84 N -1.81 6.27 0.33 6.41 -1.08 -0.73 -4.95 116.67 121.11 2f1r s ASP 84 Ca 0.35 -2.14 0.01 0.00 -0.52 0.00 0.00 52.55 50.25 2f1r s ASP 84 Cb 0.19 -2.17 0.57 0.00 -1.46 0.00 0.00 42.92 40.05 2f1r s ASP 84 CO 0.30 -0.73 1.99 0.25 0.52 0.00 0.00 175.17 177.50 2f1r h LEU 85 N 8.40 0.79 -0.69 -1.34 5.85 -1.86 -2.72 115.31 123.74 2f1r h LEU 85 Ca -0.15 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 2f1r h LEU 85 Cb 1.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2f1r h LEU 85 CO 0.91 0.59 -0.60 0.44 -0.34 0.00 0.00 178.44 179.44 2f1r h ASP 86 N 0.92 0.00 0.01 1.25 3.45 -1.95 -1.70 116.42 118.41 2f1r h ASP 86 Ca 0.25 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 2f1r h ASP 86 Cb -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2f1r h ASP 86 CO -0.05 0.60 -0.01 -0.25 -1.57 0.00 0.00 179.24 177.96 2f1r h TRP 87 N 0.00 -0.02 -0.48 4.55 7.01 -1.85 -0.89 115.95 124.27 2f1r h TRP 87 Ca -0.01 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.05 2f1r h TRP 87 Cb 1.13 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 28.15 2f1r h TRP 87 CO 0.00 0.15 0.19 0.82 -2.79 0.00 0.00 178.44 176.81 2f1r h ILE 88 N -0.18 0.87 -0.11 2.65 2.04 -1.35 0.12 117.51 121.55 2f1r h ILE 88 Ca -0.00 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2f1r h ILE 88 Cb 0.17 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2f1r h ILE 88 CO 0.00 0.07 0.05 0.22 0.00 0.00 0.00 178.15 178.50 2f1r h TYR 89 N 0.38 0.16 -0.78 1.37 3.20 -1.29 -1.78 116.97 118.23 2f1r h TYR 89 Ca 0.22 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 2f1r h TYR 89 Cb 0.20 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2f1r h TYR 89 CO -0.14 0.23 0.35 0.93 -1.64 0.00 0.00 178.16 177.88 2f1r h GLU 90 N 0.05 1.14 0.12 1.82 3.07 -0.85 -1.49 114.58 118.45 2f1r h GLU 90 Ca 0.04 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2f1r h GLU 90 Cb 0.12 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2f1r h GLU 90 CO -0.00 0.91 -0.06 -0.09 -1.40 0.00 0.00 179.01 178.36 2f1r h ARG 91 N 1.12 -0.16 0.00 2.33 9.65 -0.73 -3.41 114.38 123.17 2f1r h ARG 91 Ca 0.26 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 2f1r h ARG 91 Cb 0.16 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2f1r h ARG 91 CO -0.03 0.30 -0.60 0.66 2.80 0.00 0.00 179.97 183.10 2f1r n TYR 92 N -4.92 0.00 -0.87 2.20 4.01 -0.67 -4.78 117.16 112.12 2f1r n TYR 92 Ca -0.08 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.71 2f1r n TYR 92 Cb 0.27 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.34 2f1r n TYR 92 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2f1r n LEU 93 N -1.31 1.75 0.26 7.72 4.77 -0.60 -4.78 117.00 124.80 2f1r n LEU 93 Ca 0.00 -2.25 0.14 0.00 -0.03 0.00 0.00 56.01 53.87 2f1r n LEU 93 Cb 0.05 -0.21 0.64 0.00 -2.33 0.00 0.00 43.42 41.56 2f1r n LEU 93 CO 0.05 0.53 0.93 0.77 -1.33 0.00 0.00 177.39 178.33 2f1r h SER 94 N 0.00 0.00 1.03 -1.43 4.64 -1.69 -2.02 113.55 114.08 2f1r h SER 94 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2f1r h SER 94 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2f1r h SER 94 CO 0.00 0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 175.17 2f1r n ASP 95 N -3.32 0.07 -4.77 4.97 5.75 -1.26 -4.89 116.55 113.11 2f1r n ASP 95 Ca -0.00 0.51 -0.38 0.00 -0.01 0.00 0.00 54.79 54.90 2f1r n ASP 95 Cb 0.33 -0.53 -0.06 0.00 -1.03 0.00 0.00 41.12 39.83 2f1r n ASP 95 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2f1r s TYR 96 N -3.01 3.81 0.14 2.11 2.02 -0.76 -4.95 117.35 116.71 2f1r s TYR 96 Ca 0.14 1.83 -0.11 0.00 -0.37 0.00 0.00 57.07 58.56 2f1r s TYR 96 Cb 0.18 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.76 2f1r s TYR 96 CO 0.53 0.31 1.46 -0.44 -1.57 0.00 0.00 175.55 175.84 2f1r h ASP 97 N 3.57 0.98 -3.31 2.29 3.32 -1.48 -3.44 116.42 118.36 2f1r h ASP 97 Ca -0.46 -0.48 -0.24 0.00 0.02 0.00 0.00 57.03 55.87 2f1r h ASP 97 Cb 1.19 -0.28 -0.32 0.00 0.22 0.00 0.00 39.33 40.14 2f1r h ASP 97 CO 0.66 1.27 -0.58 -0.22 -1.72 0.00 0.00 179.24 178.65 2f1r s LEU 98 N -8.81 0.43 -0.14 1.55 2.96 -1.05 -2.44 118.68 111.19 2f1r s LEU 98 Ca -0.11 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2f1r s LEU 98 Cb 0.11 0.44 0.00 0.00 0.50 0.00 0.00 46.19 47.24 2f1r s LEU 98 CO 0.88 -0.18 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.87 2f1r s VAL 99 N 1.50 2.47 -0.15 1.68 1.01 -0.00 -1.67 120.40 125.23 2f1r s VAL 99 Ca -0.06 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2f1r s VAL 99 Cb -0.11 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2f1r s VAL 99 CO -0.07 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.80 2f1r s ILE 100 N 0.73 2.92 0.09 2.22 1.01 -0.45 -0.99 121.20 126.74 2f1r s ILE 100 Ca -0.08 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 2f1r s ILE 100 Cb -0.16 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.02 2f1r s ILE 100 CO 0.01 0.51 0.44 0.42 0.00 0.00 0.00 174.94 176.32 2f1r s THR 101 N 0.62 5.03 -0.45 2.92 -4.23 0.22 -0.95 115.64 118.80 2f1r s THR 101 Ca -0.08 0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 60.86 2f1r s THR 101 Cb -0.16 -3.67 0.07 0.00 1.34 0.00 0.00 72.50 70.08 2f1r s THR 101 CO 0.03 0.29 0.36 -0.70 -0.54 0.00 0.00 174.62 174.05 2f1r s GLU 102 N -1.89 2.89 4.11 3.99 2.12 0.28 -0.54 118.70 129.66 2f1r s GLU 102 Ca 0.34 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 54.32 2f1r s GLU 102 Cb -0.14 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.21 2f1r s GLU 102 CO 0.18 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.32 2f1r n GLY 103 N 5.13 0.39 3.88 -1.50 0.00 -0.65 -3.75 105.19 108.69 2f1r n GLY 103 Ca -0.12 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 2f1r n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f1r n PHE 104 N 10.82 -2.36 -0.29 1.61 0.99 -1.26 -4.59 117.46 122.37 2f1r n PHE 104 Ca 0.00 0.92 -0.04 0.00 -0.00 0.00 0.00 57.45 58.33 2f1r n PHE 104 Cb 0.00 -4.07 0.11 0.00 -1.00 0.00 0.00 39.48 34.52 2f1r n PHE 104 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2f1r h SER 105 N -2.15 1.06 0.12 4.37 0.87 -1.95 -2.77 113.55 113.10 2f1r h SER 105 Ca -0.58 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 2f1r h SER 105 Cb 1.38 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2f1r h SER 105 CO 0.66 0.88 0.00 0.07 -0.53 0.00 0.00 176.83 177.91 2f1r h LYS 106 N 1.16 0.00 0.00 2.24 2.10 -1.92 -1.92 116.57 118.23 2f1r h LYS 106 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2f1r h LYS 106 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 2f1r h LYS 106 CO -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.41 2f1r n ALA 107 N -1.92 1.59 -1.43 0.07 0.00 -1.04 -4.92 120.51 112.85 2f1r n ALA 107 Ca -0.02 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 2f1r n ALA 107 Cb 0.08 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 2f1r n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f1r n GLY 108 N -0.16 1.50 3.75 0.00 0.00 -0.72 -5.00 105.19 104.57 2f1r n GLY 108 Ca 0.02 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2f1r n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f1r s LYS 109 N -3.23 2.81 0.26 1.61 -0.14 -1.26 -4.52 119.74 115.27 2f1r s LYS 109 Ca 0.00 1.70 -0.29 0.00 -1.36 0.00 0.00 55.97 56.02 2f1r s LYS 109 Cb 0.00 -1.92 -0.15 0.00 -1.68 0.00 0.00 37.83 34.08 2f1r s LYS 109 CO 0.00 -1.30 0.96 -0.25 -0.76 0.00 0.00 175.35 174.00 2f1r n ASP 110 N -1.96 0.93 -4.16 2.83 8.00 -1.26 -4.26 116.55 116.67 2f1r n ASP 110 Ca 0.13 1.17 -0.15 0.00 0.71 0.00 0.00 54.79 56.65 2f1r n ASP 110 Cb 0.50 -1.23 -0.11 0.00 -0.02 0.00 0.00 41.12 40.26 2f1r n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f1r s ARG 111 N -1.32 0.81 -0.21 -1.24 3.03 0.81 -1.73 118.95 119.11 2f1r s ARG 111 Ca 0.61 -1.09 -0.12 0.00 2.03 0.00 0.00 55.73 57.16 2f1r s ARG 111 Cb -0.76 -0.55 -0.05 0.00 -1.03 0.00 0.00 34.95 32.57 2f1r s ARG 111 CO 0.58 0.09 0.23 0.42 -1.13 0.00 0.00 175.30 175.50 2f1r s ILE 112 N -2.18 5.33 -0.23 4.99 1.01 0.17 0.24 121.20 130.53 2f1r s ILE 112 Ca 0.03 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.91 2f1r s ILE 112 Cb -0.05 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2f1r s ILE 112 CO 0.00 0.36 0.30 -0.69 0.00 0.00 0.00 174.94 174.91 2f1r s VAL 113 N 0.84 5.26 -0.25 2.92 1.01 -0.74 -1.02 120.40 128.42 2f1r s VAL 113 Ca 0.12 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 2f1r s VAL 113 Cb -0.13 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2f1r s VAL 113 CO 0.04 0.27 -0.06 -0.69 0.00 0.00 0.00 175.10 174.66 2f1r s VAL 114 N 1.33 2.87 0.12 2.92 1.01 0.79 0.15 120.40 129.59 2f1r s VAL 114 Ca 0.14 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2f1r s VAL 114 Cb -0.14 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2f1r s VAL 114 CO 0.07 0.18 -0.01 0.68 0.00 0.00 0.00 175.10 176.02 2f1r s VAL 115 N 1.32 0.48 -0.15 2.92 -7.23 -0.66 -2.36 120.40 114.72 2f1r s VAL 115 Ca -0.00 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.09 2f1r s VAL 115 Cb -0.17 -1.89 -0.24 0.00 0.56 0.00 0.00 36.38 34.64 2f1r s VAL 115 CO -0.04 -0.66 0.37 0.11 -0.31 0.00 0.00 175.10 174.56 2f1r h LYS 116 N 2.88 0.16 -6.38 4.82 1.57 -1.94 -3.40 116.57 114.27 2f1r h LYS 116 Ca -0.36 -0.27 -0.69 0.00 -1.87 0.00 0.00 60.65 57.46 2f1r h LYS 116 Cb 1.18 0.10 -0.27 0.00 0.08 0.00 0.00 32.23 33.33 2f1r h LYS 116 CO 0.63 1.13 -0.83 0.15 -0.57 0.00 0.00 179.45 179.96 2f1r s LYS 117 N -2.46 2.38 0.43 3.15 3.01 -1.26 -4.69 119.74 120.31 2f1r s LYS 117 Ca -0.24 -0.80 0.19 0.00 -1.01 0.00 0.00 55.97 54.10 2f1r s LYS 117 Cb 0.06 -2.24 1.12 0.00 -1.01 0.00 0.00 37.83 35.76 2f1r s LYS 117 CO 0.70 0.57 1.87 -1.35 0.51 0.00 0.00 175.35 177.65 2f1r h PRO 118 N 5.49 0.35 0.00 -1.68 0.11 -1.86 -1.97 132.00 132.44 2f1r h PRO 118 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2f1r h PRO 118 Cb 1.14 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2f1r h PRO 118 CO 0.49 0.23 0.00 -0.85 -0.21 0.00 0.00 178.00 177.66 2f1r n GLU 119 N -4.48 0.11 0.18 1.05 0.28 -1.26 -2.06 120.64 114.46 2f1r n GLU 119 Ca 0.18 0.61 0.09 0.00 -0.16 0.00 0.00 57.16 57.87 2f1r n GLU 119 Cb 0.69 -1.86 0.10 0.00 1.43 0.00 0.00 31.44 31.80 2f1r n GLU 119 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2f1r h GLU 120 N 0.00 0.00 -0.46 3.44 5.08 -1.78 -3.33 114.58 117.52 2f1r h GLU 120 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2f1r h GLU 120 Cb 0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2f1r h GLU 120 CO 0.00 0.16 0.09 0.28 -1.00 0.00 0.00 179.01 178.54 2f1r h VAL 121 N 0.00 0.74 -1.30 3.13 2.07 -1.59 -0.02 116.25 119.29 2f1r h VAL 121 Ca -0.01 -0.08 0.43 0.00 0.82 0.00 0.00 66.70 67.86 2f1r h VAL 121 Cb 1.14 0.50 -0.13 0.00 -1.52 0.00 0.00 31.29 31.29 2f1r h VAL 121 CO 0.02 0.04 0.83 -0.33 0.02 0.00 0.00 177.57 178.16 2f1r h GLU 122 N 0.22 0.10 -0.07 1.57 3.07 -1.79 0.35 114.58 118.03 2f1r h GLU 122 Ca 0.23 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 2f1r h GLU 122 Cb 0.30 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2f1r h GLU 122 CO -0.30 0.06 0.13 1.25 -1.40 0.00 0.00 179.01 178.75 2f1r h HIS 123 N 0.10 0.00 -0.33 4.33 2.76 -1.22 -3.31 115.15 117.47 2f1r h HIS 123 Ca 0.81 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.81 2f1r h HIS 123 Cb 2.51 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 31.37 2f1r h HIS 123 CO -0.01 0.00 -0.10 1.19 -1.30 0.00 0.00 177.93 177.71 2f1r n PHE 124 N -3.51 1.02 -1.42 5.26 3.72 0.11 -4.79 117.46 117.85 2f1r n PHE 124 Ca -0.01 -1.58 -0.28 0.00 -0.05 0.00 0.00 57.45 55.53 2f1r n PHE 124 Cb 0.22 -0.47 -0.07 0.00 -0.94 0.00 0.00 39.48 38.21 2f1r n PHE 124 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2f1r n ARG 125 N -1.11 3.07 0.00 -1.08 1.74 -1.25 -4.25 116.66 113.78 2f1r n ARG 125 Ca 0.32 -2.16 0.11 0.00 -0.77 0.00 0.00 57.85 55.34 2f1r n ARG 125 Cb 1.01 -2.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 2f1r n ARG 125 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2f1r n GLN 126 N 2.16 0.28 -1.88 5.56 3.00 -1.26 -4.96 117.38 120.27 2f1r n GLN 126 Ca 0.57 -0.22 -0.03 0.00 -0.01 0.00 0.00 57.00 57.31 2f1r n GLN 126 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.26 2f1r n GLN 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2f1r n GLY 127 N 1.48 2.29 3.69 1.08 0.00 -1.26 -3.98 105.19 108.50 2f1r n GLY 127 Ca 0.06 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2f1r n GLY 127 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f1r s ARG 128 N -2.10 4.32 -0.54 1.61 3.52 -1.26 -4.82 118.95 119.68 2f1r s ARG 128 Ca 0.05 1.86 -0.24 0.00 -0.13 0.00 0.00 55.73 57.27 2f1r s ARG 128 Cb -0.01 -3.53 0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2f1r s ARG 128 CO 0.04 -0.50 0.92 0.42 -0.81 0.00 0.00 175.30 175.37 2f1r s ILE 129 N 2.15 4.43 0.12 4.11 1.01 -1.26 -0.13 121.20 131.63 2f1r s ILE 129 Ca 0.61 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 61.52 2f1r s ILE 129 Cb -0.29 -4.51 -0.21 0.00 0.01 0.00 0.00 42.46 37.46 2f1r s ILE 129 CO 0.25 -1.06 1.27 -0.07 0.00 0.00 0.00 174.94 175.33 2f1r h LEU 130 N 10.84 0.39 -7.24 2.97 3.38 -0.58 -3.47 115.31 121.60 2f1r h LEU 130 Ca -0.26 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.42 2f1r h LEU 130 Cb 1.08 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 2f1r h LEU 130 CO 1.07 1.19 0.33 0.00 0.09 0.00 0.00 178.44 181.13 2f1r s ALA 131 N -3.03 -1.62 -0.05 1.53 0.00 -1.24 -4.50 121.76 112.85 2f1r s ALA 131 Ca -0.04 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.46 2f1r s ALA 131 Cb 0.09 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2f1r s ALA 131 CO 0.86 -0.82 -0.24 0.08 0.00 0.00 0.00 175.76 175.64 2f1r s VAL 132 N -3.53 1.92 -0.25 0.00 1.01 0.09 -1.79 120.40 117.85 2f1r s VAL 132 Ca 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 2f1r s VAL 132 Cb -0.02 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2f1r s VAL 132 CO -0.07 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.87 2f1r s VAL 133 N -0.22 3.41 -0.08 2.92 1.01 0.12 -1.17 120.40 126.40 2f1r s VAL 133 Ca -0.01 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 2f1r s VAL 133 Cb -0.12 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.66 2f1r s VAL 133 CO 0.02 0.27 0.62 0.00 0.00 0.00 0.00 175.10 176.01 2f1r h ASP 135 N 3.46 0.59 -3.61 0.00 3.32 -1.82 -3.33 116.42 115.03 2f1r h ASP 135 Ca -0.28 -0.43 -0.51 0.00 0.02 0.00 0.00 57.03 55.83 2f1r h ASP 135 Cb 1.15 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 2f1r h ASP 135 CO 0.34 1.21 0.04 -1.61 -1.72 0.00 0.00 179.24 177.51 2f1r s GLU 136 N -3.44 4.00 -0.34 3.56 2.02 -1.26 -4.96 118.70 118.27 2f1r s GLU 136 Ca -0.07 0.60 -0.40 0.00 0.02 0.00 0.00 54.97 55.13 2f1r s GLU 136 Cb 0.09 -2.58 -0.18 0.00 0.10 0.00 0.00 34.13 31.56 2f1r s GLU 136 CO 0.87 0.25 1.31 -2.13 0.02 0.00 0.00 175.26 175.58 2f1r n ARG 137 N -0.06 0.00 -4.35 1.61 0.63 -1.26 -4.79 116.66 108.44 2f1r n ARG 137 Ca 0.01 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.61 2f1r n ARG 137 Cb 0.53 -1.33 -0.15 0.00 0.45 0.00 0.00 32.46 31.96 2f1r n ARG 137 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2f1r s VAL 138 N 2.06 2.74 0.05 5.15 1.01 -1.26 -4.78 120.40 125.37 2f1r s VAL 138 Ca 0.90 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2f1r s VAL 138 Cb -1.28 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 2f1r s VAL 138 CO 0.68 0.50 0.38 -1.81 0.00 0.00 0.00 175.10 174.85 2f1r s ASP 139 N 0.99 6.65 0.00 3.32 1.01 -1.26 -4.45 116.67 122.93 2f1r s ASP 139 Ca -0.02 0.79 0.00 0.00 0.71 0.00 0.00 52.55 54.04 2f1r s ASP 139 Cb -0.15 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.60 2f1r s ASP 139 CO -0.02 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.18 2f1r n GLY 140 N 1.12 0.72 3.28 0.21 0.00 -1.26 -5.02 105.19 104.24 2f1r n GLY 140 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2f1r n GLY 140 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f1r s HIS 141 N -2.56 0.31 0.11 1.61 3.76 -1.26 -5.12 115.29 112.14 2f1r s HIS 141 Ca 0.00 -0.70 -0.31 0.00 -0.15 0.00 0.00 55.06 53.90 2f1r s HIS 141 Cb 0.00 -0.07 -0.07 0.00 1.11 0.00 0.00 32.58 33.55 2f1r s HIS 141 CO 0.00 -0.64 1.32 0.21 -0.85 0.00 0.00 174.74 174.77 2f1r s LYS 142 N -3.93 4.37 -0.13 1.40 2.20 -1.26 -4.91 119.74 117.48 2f1r s LYS 142 Ca 0.13 1.97 0.01 0.00 -0.36 0.00 0.00 55.97 57.72 2f1r s LYS 142 Cb 0.04 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2f1r s LYS 142 CO -0.04 -0.35 -0.14 -0.46 -0.36 0.00 0.00 175.35 174.00 2f1r s TRP 143 N 0.95 2.00 0.06 4.03 -0.00 -1.26 -0.73 118.94 124.00 2f1r s TRP 143 Ca 0.62 -1.04 0.08 0.00 -0.00 0.00 0.00 56.10 55.76 2f1r s TRP 143 Cb -0.34 -1.48 -0.03 0.00 -0.00 0.00 0.00 33.47 31.61 2f1r s TRP 143 CO 0.31 -0.57 -0.20 -0.06 -0.00 0.00 0.00 176.95 176.43 2f1r s PHE 144 N 1.31 2.50 0.21 5.86 0.40 -0.32 -5.00 117.98 122.94 2f1r s PHE 144 Ca 0.00 -0.29 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 2f1r s PHE 144 Cb -0.14 -1.41 -0.08 0.00 0.51 0.00 0.00 43.02 41.91 2f1r s PHE 144 CO -0.07 0.26 0.60 0.50 0.70 0.00 0.00 175.22 177.22 2f1r s ARG 145 N -1.58 3.96 0.36 0.44 6.06 -1.25 -0.81 118.95 126.11 2f1r s ARG 145 Ca 0.15 0.49 0.14 0.00 -2.50 0.00 0.00 55.73 54.01 2f1r s ARG 145 Cb -0.10 -2.74 0.99 0.00 0.06 0.00 0.00 34.95 33.16 2f1r s ARG 145 CO 0.06 0.36 1.75 0.00 -2.50 0.00 0.00 175.30 174.97 2f1r h ARG 146 N 2.97 0.48 -0.16 5.12 3.08 -1.89 -2.03 114.38 121.95 2f1r h ARG 146 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2f1r h ARG 146 Cb 1.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2f1r h ARG 146 CO 0.67 0.32 0.00 -0.25 -1.07 0.00 0.00 179.97 179.63 2f1r n ASP 147 N -4.75 1.41 -2.87 7.04 8.00 -1.26 -4.37 116.55 119.76 2f1r n ASP 147 Ca 0.26 -1.72 -0.30 0.00 0.71 0.00 0.00 54.79 53.74 2f1r n ASP 147 Cb 0.81 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.74 2f1r n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2f1r n GLU 148 N 0.17 3.28 -0.32 -1.24 1.02 -0.76 -4.68 120.64 118.10 2f1r n GLU 148 Ca 0.15 -2.40 -0.03 0.00 -0.02 0.00 0.00 57.16 54.85 2f1r n GLU 148 Cb 0.28 -2.40 0.10 0.00 -0.02 0.00 0.00 31.44 29.40 2f1r n GLU 148 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2f1r h VAL 149 N 2.39 1.26 -0.06 2.62 2.07 -1.85 -0.75 116.25 121.92 2f1r h VAL 149 Ca 0.55 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2f1r h VAL 149 Cb 0.66 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2f1r h VAL 149 CO 1.12 0.29 0.02 -0.08 0.02 0.00 0.00 177.57 178.93 2f1r h GLU 150 N 1.24 0.10 -0.73 1.57 4.81 -1.94 -0.79 114.58 118.83 2f1r h GLU 150 Ca 0.31 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2f1r h GLU 150 Cb 0.03 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 2f1r h GLU 150 CO -0.05 0.30 0.45 0.00 -0.73 0.00 0.00 179.01 178.98 2f1r h ARG 151 N -0.11 0.98 -0.39 1.92 2.47 -1.91 0.55 114.38 117.89 2f1r h ARG 151 Ca 0.02 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 2f1r h ARG 151 Cb 0.24 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 2f1r h ARG 151 CO 0.00 0.68 0.07 0.82 0.56 0.00 0.00 179.97 182.11 2f1r h ILE 152 N 0.99 1.24 -0.71 2.04 2.04 -1.07 0.17 117.51 122.21 2f1r h ILE 152 Ca 0.26 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.33 2f1r h ILE 152 Cb -0.06 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 2f1r h ILE 152 CO -0.05 0.29 0.43 0.00 0.00 0.00 0.00 178.15 178.81 2f1r h ALA 153 N 0.93 0.94 -0.66 1.87 0.00 -0.99 -1.04 119.26 120.31 2f1r h ALA 153 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2f1r h ALA 153 Cb 0.35 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2f1r h ALA 153 CO 0.01 0.16 0.15 0.93 0.00 0.00 0.00 179.25 180.50 2f1r h GLU 154 N 0.81 1.06 -0.18 0.00 5.08 -0.64 0.42 114.58 121.13 2f1r h GLU 154 Ca 0.30 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2f1r h GLU 154 Cb 0.10 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2f1r h GLU 154 CO -0.14 0.95 -0.09 0.35 -1.00 0.00 0.00 179.01 179.08 2f1r h PHE 155 N 0.99 -0.22 -0.69 4.33 3.57 -0.40 -1.43 116.94 123.08 2f1r h PHE 155 Ca 0.21 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.77 2f1r h PHE 155 Cb 0.37 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 2f1r h PHE 155 CO 0.03 -0.15 0.42 0.82 -2.23 0.00 0.00 178.31 177.20 2f1r h ILE 156 N -0.08 1.05 -0.44 1.41 2.04 -0.83 -2.49 117.51 118.17 2f1r h ILE 156 Ca 0.10 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2f1r h ILE 156 Cb 0.23 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2f1r h ILE 156 CO -0.23 0.15 0.22 -0.07 0.00 0.00 0.00 178.15 178.21 2f1r h LEU 157 N 0.80 0.55 -0.99 1.44 3.38 -0.47 -2.01 115.31 118.00 2f1r h LEU 157 Ca 0.29 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2f1r h LEU 157 Cb 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2f1r h LEU 157 CO -0.14 0.47 0.13 0.28 0.09 0.00 0.00 178.44 179.27 2f1r h SER 158 N 0.62 0.81 0.09 -0.43 0.02 -0.94 -2.62 113.55 111.10 2f1r h SER 158 Ca 0.16 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2f1r h SER 158 Cb 0.06 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2f1r h SER 158 CO -0.02 0.80 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.26 2f1r h LEU 159 N 0.84 0.10 0.00 5.07 3.38 -0.94 -3.52 115.31 120.24 2f1r h LEU 159 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2f1r h LEU 159 Cb 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2f1r h LEU 159 CO -0.00 0.25 0.00 0.18 0.09 0.00 0.00 178.44 178.95