#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py1 s SER 2 N 0.00 -0.07 1.43 1.61 0.15 -1.26 -4.68 113.70 110.88 2py1 s SER 2 Ca 0.00 -0.22 -0.24 0.00 0.70 0.00 0.00 55.95 56.19 2py1 s SER 2 Cb 0.00 0.24 0.37 0.00 -1.71 0.00 0.00 66.02 64.91 2py1 s SER 2 CO 0.00 -0.44 0.95 -0.04 1.20 0.00 0.00 173.24 174.90 2py1 s MET 3 N -2.54 -2.98 0.30 5.44 1.00 -1.26 -4.84 119.30 114.41 2py1 s MET 3 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 55.69 55.84 2py1 s MET 3 Cb 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 34.83 33.48 2py1 s MET 3 CO -0.02 -4.88 0.00 0.43 0.00 0.00 0.00 175.02 170.55 2py1 n SER 4 N -5.61 -6.07 -2.68 3.03 7.64 -1.26 -4.96 113.62 103.70 2py1 n SER 4 Ca 0.14 0.59 -0.02 0.00 1.01 0.00 0.00 58.87 60.60 2py1 n SER 4 Cb 0.61 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.27 2py1 n SER 4 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2py1 n PHE 5 N -3.42 -3.67 -0.75 1.43 3.72 -1.26 -4.94 117.46 108.57 2py1 n PHE 5 Ca -0.01 1.59 -0.33 0.00 -0.05 0.00 0.00 57.45 58.65 2py1 n PHE 5 Cb 0.63 -3.91 0.14 0.00 -0.94 0.00 0.00 39.48 35.39 2py1 n PHE 5 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2py1 n SER 6 N 0.40 -2.34 -3.79 4.37 3.41 -1.26 -5.03 113.62 109.38 2py1 n SER 6 Ca 0.03 0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 2py1 n SER 6 Cb 0.12 -1.08 -0.04 0.00 -0.26 0.00 0.00 64.21 62.94 2py1 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2py1 s GLY 7 N -1.90 0.04 -0.07 5.00 0.00 -1.26 -4.98 107.32 104.15 2py1 s GLY 7 Ca 0.56 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 44.93 2py1 s GLY 7 CO 0.67 -0.38 -0.16 0.54 0.00 0.00 0.00 173.10 173.77 2py1 s LYS 8 N -3.90 2.03 0.02 2.90 1.02 -1.26 -3.42 119.74 117.12 2py1 s LYS 8 Ca 0.11 -0.58 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2py1 s LYS 8 Cb -0.00 -1.65 -0.01 0.00 -0.52 0.00 0.00 37.83 35.64 2py1 s LYS 8 CO -0.02 0.13 -0.09 0.71 -0.92 0.00 0.00 175.35 175.17 2py1 s TYR 9 N 0.38 0.75 -0.05 3.18 1.51 -1.20 -4.04 117.35 117.89 2py1 s TYR 9 Ca -0.12 -0.27 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 2py1 s TYR 9 Cb -0.15 -0.46 -0.01 0.00 -0.11 0.00 0.00 41.96 41.23 2py1 s TYR 9 CO 0.04 -0.02 -0.22 -1.14 -1.11 0.00 0.00 175.55 173.10 2py1 s GLN 10 N -0.74 2.21 0.10 -0.62 0.74 -1.25 -2.74 119.66 117.36 2py1 s GLN 10 Ca -0.01 -0.81 -0.35 0.00 0.05 0.00 0.00 55.36 54.25 2py1 s GLN 10 Cb -0.06 -1.92 -0.18 0.00 1.10 0.00 0.00 33.01 31.95 2py1 s GLN 10 CO 0.00 0.36 0.89 1.47 -0.55 0.00 0.00 175.29 177.47 2py1 n LEU 11 N 2.93 -0.20 0.00 3.68 -0.00 0.82 -4.06 117.00 120.17 2py1 n LEU 11 Ca -0.17 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 2py1 n LEU 11 Cb 0.52 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 42.96 2py1 n LEU 11 CO 0.25 -2.19 0.00 1.67 -0.00 0.00 0.00 177.39 177.12 2py1 n GLN 12 N 1.37 0.00 -4.02 1.47 -0.06 -1.09 -4.89 117.38 110.15 2py1 n GLN 12 Ca 0.19 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.93 2py1 n GLN 12 Cb 0.17 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.30 2py1 n GLN 12 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2py1 s SER 13 N 0.64 5.88 0.01 1.69 0.01 -0.99 -5.04 113.70 115.90 2py1 s SER 13 Ca 0.00 -0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.18 2py1 s SER 13 Cb 0.00 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2py1 s SER 13 CO 0.00 0.06 0.15 -1.10 0.41 0.00 0.00 173.24 172.75 2py1 s GLN 14 N -3.20 0.52 -0.11 12.44 -0.21 -1.26 -3.28 119.66 124.57 2py1 s GLN 14 Ca 0.33 -0.44 -0.01 0.00 0.02 0.00 0.00 55.36 55.26 2py1 s GLN 14 Cb -0.10 0.21 0.03 0.00 1.00 0.00 0.00 33.01 34.15 2py1 s GLN 14 CO 0.26 -0.13 -0.03 -2.00 -2.12 0.00 0.00 175.29 171.27 2py1 s GLU 15 N -1.58 1.08 -1.38 2.91 2.56 -1.24 -4.83 118.70 116.21 2py1 s GLU 15 Ca -0.13 -0.16 -0.11 0.00 0.00 0.00 0.00 54.97 54.57 2py1 s GLU 15 Cb -0.07 -1.45 0.01 0.00 2.00 0.00 0.00 34.13 34.62 2py1 s GLU 15 CO 0.01 -0.34 0.37 0.09 -0.56 0.00 0.00 175.26 174.83 2py1 n ASN 16 N 5.02 -1.30 0.00 -1.70 3.02 -1.26 -4.23 115.26 114.81 2py1 n ASN 16 Ca -0.10 -1.18 -0.18 0.00 -0.03 0.00 0.00 54.58 53.09 2py1 n ASN 16 Cb 0.49 -2.22 -0.09 0.00 -0.61 0.00 0.00 39.78 37.36 2py1 n ASN 16 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2py1 h PHE 17 N -2.02 1.05 0.00 3.10 3.57 -1.93 -3.11 116.94 117.60 2py1 h PHE 17 Ca -0.67 -0.50 -0.07 0.00 3.53 0.00 0.00 57.97 60.26 2py1 h PHE 17 Cb 1.39 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2py1 h PHE 17 CO 0.45 1.34 -0.32 1.05 -2.23 0.00 0.00 178.31 178.60 2py1 h GLU 18 N 0.46 0.00 -0.27 1.11 4.11 -1.98 -2.65 114.58 115.36 2py1 h GLU 18 Ca -0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 2py1 h GLU 18 Cb 1.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 2py1 h GLU 18 CO 0.17 0.32 -0.13 0.00 0.07 0.00 0.00 179.01 179.44 2py1 h ALA 19 N 1.68 1.27 0.00 1.06 0.00 -1.91 -1.66 119.26 119.70 2py1 h ALA 19 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2py1 h ALA 19 Cb 0.80 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2py1 h ALA 19 CO 0.04 0.48 -0.15 0.35 0.00 0.00 0.00 179.25 179.97 2py1 h PHE 20 N 0.43 0.00 0.05 0.00 3.57 -1.42 -2.03 116.94 117.54 2py1 h PHE 20 Ca 0.08 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.32 2py1 h PHE 20 Cb 0.49 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2py1 h PHE 20 CO 0.01 0.15 -1.26 0.52 -2.23 0.00 0.00 178.31 175.50 2py1 h MET 21 N 0.00 0.11 0.00 1.11 2.86 -1.38 -3.24 114.93 114.39 2py1 h MET 21 Ca -0.00 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 2py1 h MET 21 Cb 0.36 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2py1 h MET 21 CO 0.02 0.99 -0.36 -0.22 1.06 0.00 0.00 176.91 178.40 2py1 h LYS 22 N 0.03 0.00 -0.22 1.72 1.63 -0.82 0.81 116.57 119.72 2py1 h LYS 22 Ca -0.12 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.60 2py1 h LYS 22 Cb 1.90 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.51 2py1 h LYS 22 CO 0.14 0.36 -0.22 0.00 -3.45 0.00 0.00 179.45 176.28 2py1 h ALA 23 N 1.64 1.22 0.00 5.00 0.00 -1.42 -2.53 119.26 123.18 2py1 h ALA 23 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2py1 h ALA 23 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2py1 h ALA 23 CO 0.05 0.51 -1.28 0.44 0.00 0.00 0.00 179.25 178.96 2py1 n ILE 24 N -4.16 0.87 -0.12 0.00 -5.35 -0.91 -4.98 119.36 104.70 2py1 n ILE 24 Ca -0.00 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 2py1 n ILE 24 Cb 0.37 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 2py1 n ILE 24 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2py1 n GLY 25 N 1.30 0.58 3.87 3.28 0.00 0.86 -5.10 105.19 109.97 2py1 n GLY 25 Ca -0.05 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2py1 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2py1 s LEU 26 N -0.14 4.42 0.96 0.99 2.01 0.24 -4.96 118.68 122.19 2py1 s LEU 26 Ca 0.00 0.62 -0.14 0.00 0.01 0.00 0.00 54.13 54.62 2py1 s LEU 26 Cb 0.00 -2.24 0.17 0.00 0.01 0.00 0.00 46.19 44.12 2py1 s LEU 26 CO 0.00 0.38 1.16 -2.16 1.01 0.00 0.00 176.35 176.74 2py1 s PRO 27 N -1.07 0.77 0.15 1.29 0.04 -1.26 -4.49 135.00 130.43 2py1 s PRO 27 Ca 0.18 0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.40 2py1 s PRO 27 Cb -0.13 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2py1 s PRO 27 CO 0.07 -2.42 1.34 1.05 0.04 0.00 0.00 177.00 177.08 2py1 h GLU 28 N -1.66 0.15 -0.23 4.56 4.11 -1.98 -1.83 114.58 117.69 2py1 h GLU 28 Ca -0.49 -0.18 -0.00 0.00 0.07 0.00 0.00 59.36 58.76 2py1 h GLU 28 Cb 1.31 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2py1 h GLU 28 CO 0.55 0.97 0.14 0.93 0.07 0.00 0.00 179.01 181.67 2py1 h GLU 29 N 0.07 0.32 -0.16 1.06 4.39 -1.97 1.47 114.58 119.76 2py1 h GLU 29 Ca -0.04 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.46 2py1 h GLU 29 Cb 1.59 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.17 2py1 h GLU 29 CO 0.14 0.27 -0.60 -0.07 -1.16 0.00 0.00 179.01 177.59 2py1 h LEU 30 N 0.28 0.60 -0.33 1.33 3.38 -1.95 0.52 115.31 119.14 2py1 h LEU 30 Ca 0.08 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 2py1 h LEU 30 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2py1 h LEU 30 CO -0.01 1.06 -0.08 0.40 0.09 0.00 0.00 178.44 179.89 2py1 h ILE 31 N 0.40 1.28 -0.03 1.22 2.04 -0.93 0.20 117.51 121.68 2py1 h ILE 31 Ca -0.00 -1.14 -0.17 0.00 1.00 0.00 0.00 64.86 64.54 2py1 h ILE 31 Cb 1.15 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2py1 h ILE 31 CO 0.11 0.37 -0.75 -0.61 0.00 0.00 0.00 178.15 177.27 2py1 h GLN 32 N 0.42 0.22 -0.57 2.37 4.15 0.21 0.50 115.11 122.41 2py1 h GLN 32 Ca 0.08 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 2py1 h GLN 32 Cb 0.58 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 2py1 h GLN 32 CO 0.03 0.87 0.00 -0.22 -1.93 0.00 0.00 178.83 177.59 2py1 h LYS 33 N 0.14 1.00 -0.02 1.69 3.64 0.21 -1.48 116.57 121.75 2py1 h LYS 33 Ca -0.03 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 2py1 h LYS 33 Cb 1.32 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2py1 h LYS 33 CO 0.11 0.99 -0.36 0.78 -2.27 0.00 0.00 179.45 178.71 2py1 h GLY 34 N 0.88 0.32 1.31 5.01 0.00 -0.89 -3.11 103.07 106.59 2py1 h GLY 34 Ca 0.16 -0.51 0.08 0.00 0.00 0.00 0.00 47.33 47.06 2py1 h GLY 34 CO 0.03 0.45 0.26 1.70 0.00 0.00 0.00 176.54 178.98 2py1 h LYS 35 N -0.29 0.00 0.00 4.80 3.64 -0.85 1.42 116.57 125.28 2py1 h LYS 35 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2py1 h LYS 35 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2py1 h LYS 35 CO 0.07 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.78 2py1 n ASP 36 N -3.98 0.00 -4.16 4.20 -0.08 -0.56 -4.50 116.55 107.46 2py1 n ASP 36 Ca 0.04 0.18 -0.34 0.00 -1.51 0.00 0.00 54.79 53.16 2py1 n ASP 36 Cb 0.42 -0.38 -0.15 0.00 2.34 0.00 0.00 41.12 43.35 2py1 n ASP 36 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2py1 s ILE 37 N -2.75 2.65 0.34 5.18 1.01 0.49 -5.09 121.20 123.02 2py1 s ILE 37 Ca 0.18 -1.22 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 2py1 s ILE 37 Cb 0.16 -2.40 -0.11 0.00 0.01 0.00 0.00 42.46 40.11 2py1 s ILE 37 CO 0.39 0.13 1.51 -0.54 0.00 0.00 0.00 174.94 176.43 2py1 s LYS 38 N 1.26 4.14 -0.26 2.79 1.02 -1.26 -4.92 119.74 122.51 2py1 s LYS 38 Ca -0.02 2.54 -0.22 0.00 0.02 0.00 0.00 55.97 58.29 2py1 s LYS 38 Cb -0.18 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2py1 s LYS 38 CO -0.05 -0.54 0.70 0.20 -0.92 0.00 0.00 175.35 174.74 2py1 s GLY 39 N 0.09 1.79 0.12 -3.33 0.00 -1.26 -4.90 107.32 99.83 2py1 s GLY 39 Ca 0.57 -0.35 0.10 0.00 0.00 0.00 0.00 44.72 45.03 2py1 s GLY 39 CO 0.56 1.57 -0.23 0.14 0.00 0.00 0.00 173.10 175.14 2py1 s VAL 40 N 2.63 2.53 -0.02 1.40 1.01 -1.26 -0.13 120.40 126.56 2py1 s VAL 40 Ca 0.29 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.66 2py1 s VAL 40 Cb -0.15 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2py1 s VAL 40 CO 0.08 0.11 -0.04 -0.44 0.00 0.00 0.00 175.10 174.81 2py1 s SER 41 N -2.05 0.65 0.17 3.32 0.01 -1.11 -4.37 113.70 110.32 2py1 s SER 41 Ca 0.16 -0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.40 2py1 s SER 41 Cb -0.10 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2py1 s SER 41 CO 0.08 0.01 0.01 -0.70 0.41 0.00 0.00 173.24 173.05 2py1 s GLU 42 N 0.27 2.45 -0.18 12.44 2.12 -1.26 -3.27 118.70 131.27 2py1 s GLU 42 Ca -0.03 -1.09 -0.00 0.00 0.36 0.00 0.00 54.97 54.21 2py1 s GLU 42 Cb -0.07 -2.38 0.01 0.00 0.26 0.00 0.00 34.13 31.95 2py1 s GLU 42 CO -0.00 0.46 -0.16 0.42 -0.54 0.00 0.00 175.26 175.44 2py1 s ILE 43 N -1.74 2.47 -0.05 -3.70 1.01 -1.22 -4.24 121.20 113.74 2py1 s ILE 43 Ca 0.28 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 60.17 2py1 s ILE 43 Cb -0.09 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 2py1 s ILE 43 CO 0.19 0.51 -0.22 -0.69 0.00 0.00 0.00 174.94 174.73 2py1 s VAL 44 N 1.20 1.81 0.03 2.92 1.01 -0.45 -4.17 120.40 122.76 2py1 s VAL 44 Ca 0.02 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.11 2py1 s VAL 44 Cb -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2py1 s VAL 44 CO -0.07 0.51 -0.14 -1.58 0.00 0.00 0.00 175.10 173.81 2py1 s GLN 45 N -0.13 0.95 -0.46 2.72 -0.44 -1.26 -0.63 119.66 120.42 2py1 s GLN 45 Ca -0.03 -0.74 0.07 0.00 -2.50 0.00 0.00 55.36 52.16 2py1 s GLN 45 Cb -0.12 -0.96 0.30 0.00 -1.64 0.00 0.00 33.01 30.59 2py1 s GLN 45 CO 0.03 0.24 0.99 0.09 0.50 0.00 0.00 175.29 177.14 2py1 n ASN 46 N 1.97 -2.05 -2.92 6.67 3.02 0.49 -4.91 115.26 117.52 2py1 n ASN 46 Ca -0.18 -3.49 -0.10 0.00 -0.03 0.00 0.00 54.58 50.79 2py1 n ASN 46 Cb 0.55 1.53 0.01 0.00 -0.61 0.00 0.00 39.78 41.26 2py1 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2py1 n GLY 47 N 0.74 -1.82 4.71 7.41 0.00 -1.26 -3.19 105.19 111.78 2py1 n GLY 47 Ca 0.09 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.10 2py1 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2py1 n LYS 48 N 0.06 0.00 -2.34 1.61 5.02 -1.26 -4.91 118.16 116.34 2py1 n LYS 48 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2py1 n LYS 48 Cb 0.38 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.36 2py1 n LYS 48 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2py1 s HIS 49 N 0.00 3.35 -0.04 2.13 5.65 -1.19 -4.01 115.29 121.18 2py1 s HIS 49 Ca 0.00 1.18 0.03 0.00 0.25 0.00 0.00 55.06 56.52 2py1 s HIS 49 Cb 0.00 -3.51 0.00 0.00 -1.18 0.00 0.00 32.58 27.89 2py1 s HIS 49 CO 0.00 -1.66 -0.14 -0.06 -0.65 0.00 0.00 174.74 172.23 2py1 s PHE 50 N 1.14 1.47 0.16 3.88 0.40 -0.43 0.18 117.98 124.79 2py1 s PHE 50 Ca 0.61 -0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2py1 s PHE 50 Cb -0.32 -1.02 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 2py1 s PHE 50 CO 0.29 -0.17 0.36 0.21 0.70 0.00 0.00 175.22 176.62 2py1 s LYS 51 N 0.20 3.54 0.00 0.44 2.20 0.20 -1.42 119.74 124.91 2py1 s LYS 51 Ca -0.06 -0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 55.22 2py1 s LYS 51 Cb -0.12 -2.87 -0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2py1 s LYS 51 CO 0.02 0.45 0.13 0.12 -0.36 0.00 0.00 175.35 175.70 2py1 s PHE 52 N -1.75 0.06 0.01 4.03 5.36 -1.09 -1.34 117.98 123.25 2py1 s PHE 52 Ca 0.39 -0.16 0.07 0.00 -0.96 0.00 0.00 56.93 56.27 2py1 s PHE 52 Cb -0.12 -0.06 -0.03 0.00 -0.34 0.00 0.00 43.02 42.48 2py1 s PHE 52 CO 0.27 -0.28 -0.22 0.99 -1.46 0.00 0.00 175.22 174.52 2py1 s THR 53 N -1.38 2.44 -0.10 0.12 2.01 -1.26 -4.03 115.64 113.44 2py1 s THR 53 Ca -0.15 -1.14 0.02 0.00 0.31 0.00 0.00 61.69 60.73 2py1 s THR 53 Cb -0.08 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2py1 s THR 53 CO 0.01 0.46 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.60 2py1 s ILE 54 N -0.77 2.73 -0.58 1.82 1.01 -1.26 -4.44 121.20 119.71 2py1 s ILE 54 Ca 0.12 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 60.01 2py1 s ILE 54 Cb -0.10 -2.10 0.16 0.00 0.01 0.00 0.00 42.46 40.43 2py1 s ILE 54 CO 0.02 0.55 0.38 -0.89 0.00 0.00 0.00 174.94 175.00 2py1 s THR 55 N 0.09 2.24 -0.48 2.92 2.01 -1.25 -3.69 115.64 117.47 2py1 s THR 55 Ca -0.08 -3.59 0.03 0.00 0.31 0.00 0.00 61.69 58.37 2py1 s THR 55 Cb -0.15 -2.50 0.13 0.00 0.01 0.00 0.00 72.50 69.99 2py1 s THR 55 CO 0.05 -0.98 0.26 0.00 -0.69 0.00 0.00 174.62 173.26 2py1 s ALA 56 N -0.72 2.67 0.00 7.40 0.00 -1.23 -4.71 121.76 125.16 2py1 s ALA 56 Ca 0.23 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.28 2py1 s ALA 56 Cb -0.11 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2py1 s ALA 56 CO -0.11 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.01 2py1 n GLY 57 N 3.31 0.62 3.91 0.00 0.00 -1.26 -4.50 105.19 107.27 2py1 n GLY 57 Ca 0.08 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2py1 n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2py1 n SER 58 N -0.06 -3.56 -3.69 1.61 2.88 -1.26 -4.96 113.62 104.58 2py1 n SER 58 Ca 0.00 -1.14 -0.10 0.00 -1.33 0.00 0.00 58.87 56.31 2py1 n SER 58 Cb 0.09 -2.60 -0.10 0.00 -0.75 0.00 0.00 64.21 60.85 2py1 n SER 58 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2py1 s LYS 59 N -6.69 0.44 0.16 -1.46 -2.85 -1.26 -5.15 119.74 102.92 2py1 s LYS 59 Ca 0.37 0.86 0.05 0.00 -1.00 0.00 0.00 55.97 56.25 2py1 s LYS 59 Cb -0.16 0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.57 2py1 s LYS 59 CO 0.92 -0.16 0.10 0.54 0.10 0.00 0.00 175.35 176.85 2py1 s VAL 60 N 1.46 4.32 -0.00 1.79 0.11 -1.25 -3.54 120.40 123.29 2py1 s VAL 60 Ca -0.09 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 2py1 s VAL 60 Cb -0.08 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 2py1 s VAL 60 CO -0.14 -0.10 -0.01 -0.63 -3.33 0.00 0.00 175.10 170.89 2py1 s ILE 61 N -1.73 0.11 -0.30 7.04 1.01 -1.24 -4.96 121.20 121.13 2py1 s ILE 61 Ca 0.30 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 2py1 s ILE 61 Cb -0.10 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 2py1 s ILE 61 CO 0.22 0.04 0.18 0.00 0.00 0.00 0.00 174.94 175.39 2py1 s GLN 62 N 0.07 3.72 -0.15 2.79 -2.07 -1.26 -4.12 119.66 118.64 2py1 s GLN 62 Ca -0.00 -0.47 -0.22 0.00 -1.82 0.00 0.00 55.36 52.84 2py1 s GLN 62 Cb -0.02 -3.64 0.06 0.00 -1.09 0.00 0.00 33.01 28.31 2py1 s GLN 62 CO -0.00 -0.28 0.57 1.21 -1.32 0.00 0.00 175.29 175.47 2py1 s ASN 63 N 1.71 -0.57 0.14 12.60 3.84 -1.26 -5.10 114.94 126.31 2py1 s ASN 63 Ca 0.06 0.91 0.11 0.00 0.21 0.00 0.00 52.86 54.16 2py1 s ASN 63 Cb -0.16 0.91 -0.04 0.00 -0.55 0.00 0.00 41.25 41.40 2py1 s ASN 63 CO 0.09 -0.34 -0.26 -1.83 -2.79 0.00 0.00 177.10 171.97 2py1 s GLU 64 N -0.30 1.43 -0.03 0.43 1.03 -1.26 -2.67 118.70 117.32 2py1 s GLU 64 Ca -0.05 -1.38 -0.02 0.00 0.03 0.00 0.00 54.97 53.55 2py1 s GLU 64 Cb -0.03 -1.89 0.01 0.00 -0.80 0.00 0.00 34.13 31.42 2py1 s GLU 64 CO 0.04 0.44 0.08 -0.59 -1.33 0.00 0.00 175.26 173.89 2py1 s PHE 65 N -1.18 -0.08 0.18 4.83 -0.12 -0.51 -4.78 117.98 116.33 2py1 s PHE 65 Ca 0.15 0.21 0.06 0.00 -0.05 0.00 0.00 56.93 57.31 2py1 s PHE 65 Cb -0.10 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2py1 s PHE 65 CO 0.07 -0.05 0.10 0.99 -0.05 0.00 0.00 175.22 176.28 2py1 s THR 66 N 0.20 4.22 0.24 -4.49 2.01 -1.26 -1.32 115.64 115.24 2py1 s THR 66 Ca -0.01 -1.25 -0.07 0.00 0.31 0.00 0.00 61.69 60.66 2py1 s THR 66 Cb -0.02 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 2py1 s THR 66 CO -0.01 -0.15 0.53 -0.69 -0.69 0.00 0.00 174.62 173.62 2py1 s VAL 67 N -1.82 4.99 0.00 3.82 1.01 -1.26 -4.06 120.40 123.09 2py1 s VAL 67 Ca 0.30 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2py1 s VAL 67 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2py1 s VAL 67 CO 0.22 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2py1 n GLY 68 N -0.41 2.76 3.30 4.51 0.00 -1.04 -4.97 105.19 109.35 2py1 n GLY 68 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2py1 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2py1 s GLU 69 N -0.03 1.59 0.01 1.61 2.12 -1.26 -4.98 118.70 117.76 2py1 s GLU 69 Ca 0.00 -1.04 -0.30 0.00 0.36 0.00 0.00 54.97 53.98 2py1 s GLU 69 Cb 0.00 -1.76 -0.05 0.00 0.26 0.00 0.00 34.13 32.58 2py1 s GLU 69 CO 0.00 0.45 1.34 -1.21 -0.54 0.00 0.00 175.26 175.30 2py1 s GLU 70 N -1.25 4.32 0.45 4.30 2.02 -1.26 -4.52 118.70 122.75 2py1 s GLU 70 Ca 0.10 1.91 0.01 0.00 0.02 0.00 0.00 54.97 57.00 2py1 s GLU 70 Cb -0.09 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.63 2py1 s GLU 70 CO 0.02 -0.50 0.66 0.00 0.02 0.00 0.00 175.26 175.46 2py1 s GLU 72 N -4.54 3.11 -0.02 0.00 -1.05 -1.26 -2.33 118.70 112.61 2py1 s GLU 72 Ca 0.48 -0.78 -0.03 0.00 -0.15 0.00 0.00 54.97 54.49 2py1 s GLU 72 Cb -0.10 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.93 2py1 s GLU 72 CO 0.37 -0.17 0.08 -0.48 0.95 0.00 0.00 175.26 176.02 2py1 s LEU 73 N 1.24 1.74 -0.36 1.83 0.05 -1.14 -4.95 118.68 117.09 2py1 s LEU 73 Ca 0.03 -0.01 -0.21 0.00 0.05 0.00 0.00 54.13 54.00 2py1 s LEU 73 Cb -0.14 0.34 0.00 0.00 -2.05 0.00 0.00 46.19 44.35 2py1 s LEU 73 CO -0.09 -0.14 0.64 -1.61 -0.55 0.00 0.00 176.35 174.61 2py1 s GLU 74 N -0.48 3.67 0.82 1.48 2.02 -1.26 -1.90 118.70 123.06 2py1 s GLU 74 Ca -0.05 0.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.87 2py1 s GLU 74 Cb -0.04 -3.81 0.19 0.00 0.10 0.00 0.00 34.13 30.57 2py1 s GLU 74 CO 0.00 -0.75 0.43 0.25 0.02 0.00 0.00 175.26 175.21 2py1 n THR 75 N 5.61 0.00 1.46 3.63 -2.24 0.34 -4.80 114.28 118.28 2py1 n THR 75 Ca -0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 2py1 n THR 75 Cb 0.49 -0.48 0.57 0.00 -2.10 0.00 0.00 70.33 68.80 2py1 n THR 75 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2py1 n MET 76 N -2.74 1.04 -0.17 -0.78 0.00 -1.26 -3.31 117.12 109.90 2py1 n MET 76 Ca 0.07 -0.48 0.12 0.00 0.00 0.00 0.00 57.70 57.41 2py1 n MET 76 Cb 0.30 -1.49 0.25 0.00 0.00 0.00 0.00 33.22 32.27 2py1 n MET 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2py1 n THR 77 N -0.56 0.46 -2.21 3.17 -1.04 -1.26 -4.94 114.28 107.89 2py1 n THR 77 Ca 0.16 -0.67 -0.03 0.00 -2.04 0.00 0.00 64.05 61.47 2py1 n THR 77 Cb 0.30 0.85 0.02 0.00 -1.82 0.00 0.00 70.33 69.67 2py1 n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2py1 n GLY 78 N 1.44 0.32 3.10 3.41 0.00 -1.21 -5.07 105.19 107.17 2py1 n GLY 78 Ca 0.19 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2py1 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2py1 s GLU 79 N -4.11 0.29 -0.33 1.61 2.02 -1.26 -4.96 118.70 111.96 2py1 s GLU 79 Ca 0.01 0.17 -0.15 0.00 0.02 0.00 0.00 54.97 55.03 2py1 s GLU 79 Cb -0.00 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 2py1 s GLU 79 CO 0.14 -0.05 0.34 -1.59 0.02 0.00 0.00 175.26 174.13 2py1 s LYS 80 N -0.16 3.64 0.07 1.61 -2.85 -1.26 0.13 119.74 120.92 2py1 s LYS 80 Ca -0.03 -0.37 0.09 0.00 -1.00 0.00 0.00 55.97 54.67 2py1 s LYS 80 Cb -0.02 -3.78 -0.03 0.00 -2.06 0.00 0.00 37.83 31.94 2py1 s LYS 80 CO 0.01 -0.47 -0.25 0.14 0.10 0.00 0.00 175.35 174.87 2py1 s VAL 81 N 1.99 2.09 -0.39 1.79 -7.23 -0.80 -4.97 120.40 112.87 2py1 s VAL 81 Ca 0.11 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.65 2py1 s VAL 81 Cb -0.16 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 34.98 2py1 s VAL 81 CO 0.11 0.23 0.28 -0.54 -0.31 0.00 0.00 175.10 174.87 2py1 s LYS 82 N -1.53 3.03 0.16 4.82 3.01 -1.26 -2.89 119.74 125.09 2py1 s LYS 82 Ca 0.12 -0.97 0.05 0.00 -1.01 0.00 0.00 55.97 54.15 2py1 s LYS 82 Cb -0.10 -3.92 -0.04 0.00 -1.01 0.00 0.00 37.83 32.76 2py1 s LYS 82 CO 0.03 -0.70 0.13 -0.08 0.51 0.00 0.00 175.35 175.25 2py1 s THR 83 N 1.67 4.45 -0.00 2.17 -1.32 -0.98 -4.61 115.64 117.01 2py1 s THR 83 Ca 0.05 -1.10 0.07 0.00 -1.21 0.00 0.00 61.69 59.50 2py1 s THR 83 Cb -0.19 -3.27 -0.02 0.00 -1.51 0.00 0.00 72.50 67.51 2py1 s THR 83 CO 0.10 -0.11 -0.23 0.54 -2.21 0.00 0.00 174.62 172.71 2py1 s VAL 84 N -1.75 2.37 -0.16 5.08 0.11 -1.19 -1.04 120.40 123.82 2py1 s VAL 84 Ca 0.31 -1.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 2py1 s VAL 84 Cb -0.10 -1.89 0.02 0.00 -1.53 0.00 0.00 36.38 32.87 2py1 s VAL 84 CO 0.23 0.51 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.62 2py1 s VAL 85 N -0.72 2.00 0.21 2.04 1.01 -1.26 -2.27 120.40 121.41 2py1 s VAL 85 Ca 0.11 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.29 2py1 s VAL 85 Cb -0.10 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2py1 s VAL 85 CO 0.01 0.53 -0.23 -1.58 0.00 0.00 0.00 175.10 173.83 2py1 s GLN 86 N 1.16 1.53 0.11 2.72 0.74 0.55 -2.48 119.66 123.99 2py1 s GLN 86 Ca 0.01 -1.56 0.02 0.00 0.05 0.00 0.00 55.36 53.88 2py1 s GLN 86 Cb -0.14 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 32.12 2py1 s GLN 86 CO -0.09 0.39 0.23 -0.48 -0.55 0.00 0.00 175.29 174.78 2py1 s LEU 87 N -2.80 4.26 -0.03 3.68 -0.00 -1.26 0.20 118.68 122.73 2py1 s LEU 87 Ca 0.22 0.17 -0.10 0.00 -0.00 0.00 0.00 54.13 54.42 2py1 s LEU 87 Cb -0.07 -2.85 0.01 0.00 -0.00 0.00 0.00 46.19 43.28 2py1 s LEU 87 CO 0.10 0.11 0.22 -0.70 -0.00 0.00 0.00 176.35 176.08 2py1 s GLU 88 N -2.88 0.49 0.86 1.48 2.56 0.24 -4.79 118.70 116.66 2py1 s GLU 88 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.97 55.17 2py1 s GLU 88 Cb -0.12 0.21 0.00 0.00 2.00 0.00 0.00 34.13 36.23 2py1 s GLU 88 CO 0.27 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 175.27 2py1 n GLY 89 N 1.78 0.25 0.21 -1.50 0.00 -1.26 -2.21 105.19 102.46 2py1 n GLY 89 Ca -0.20 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2py1 n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2py1 n ASP 90 N 1.83 0.00 -2.15 1.61 4.64 -1.26 -4.95 116.55 116.27 2py1 n ASP 90 Ca 0.00 0.00 -0.22 0.00 -1.38 0.00 0.00 54.79 53.19 2py1 n ASP 90 Cb 0.00 0.05 0.02 0.00 -1.04 0.00 0.00 41.12 40.15 2py1 n ASP 90 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 2py1 n ASN 91 N -1.27 4.55 -3.85 1.67 0.23 -1.23 -4.79 115.26 110.57 2py1 n ASN 91 Ca 0.00 -3.57 -0.18 0.00 -0.53 0.00 0.00 54.58 50.30 2py1 n ASN 91 Cb 0.00 -0.37 -0.16 0.00 -2.08 0.00 0.00 39.78 37.17 2py1 n ASN 91 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2py1 s LYS 92 N -3.61 0.47 -0.10 -3.83 2.20 -0.94 -2.05 119.74 111.89 2py1 s LYS 92 Ca 0.48 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.12 2py1 s LYS 92 Cb 0.40 -0.58 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 2py1 s LYS 92 CO 0.01 -0.11 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.24 2py1 s LEU 93 N 0.94 2.67 -0.21 5.43 1.43 -1.11 0.83 118.68 128.65 2py1 s LEU 93 Ca -0.10 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2py1 s LEU 93 Cb -0.14 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.54 2py1 s LEU 93 CO -0.01 0.24 -0.15 -0.69 0.23 0.00 0.00 176.35 175.97 2py1 s VAL 94 N -0.08 2.31 0.04 -1.59 1.01 0.52 -1.63 120.40 120.98 2py1 s VAL 94 Ca -0.03 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2py1 s VAL 94 Cb -0.14 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2py1 s VAL 94 CO 0.04 0.34 -0.09 0.28 0.00 0.00 0.00 175.10 175.67 2py1 s THR 95 N 1.27 0.68 0.21 3.92 -1.32 -1.26 0.20 115.64 119.34 2py1 s THR 95 Ca 0.01 -0.93 0.08 0.00 -1.21 0.00 0.00 61.69 59.64 2py1 s THR 95 Cb -0.15 -0.68 -0.05 0.00 -1.51 0.00 0.00 72.50 70.11 2py1 s THR 95 CO -0.09 -0.21 -0.14 -0.89 -2.21 0.00 0.00 174.62 171.08 2py1 s THR 96 N -1.04 1.75 -0.06 5.08 2.01 -0.96 -3.64 115.64 118.77 2py1 s THR 96 Ca -0.05 -2.21 -0.03 0.00 0.31 0.00 0.00 61.69 59.71 2py1 s THR 96 Cb -0.08 -2.07 0.04 0.00 0.01 0.00 0.00 72.50 70.40 2py1 s THR 96 CO 0.01 -0.58 0.12 -0.36 -0.69 0.00 0.00 174.62 173.12 2py1 s PHE 97 N -2.97 -0.09 0.00 4.92 0.08 -0.85 -3.19 117.98 115.89 2py1 s PHE 97 Ca 0.23 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.73 2py1 s PHE 97 Cb -0.01 -0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.15 2py1 s PHE 97 CO 0.07 -0.22 0.00 0.36 -0.10 0.00 0.00 175.22 175.34 2py1 n LYS 98 N 5.05 0.00 -0.41 0.44 2.85 -1.26 0.19 118.16 125.02 2py1 n LYS 98 Ca -0.10 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.21 2py1 n LYS 98 Cb 0.50 0.00 0.20 0.00 -0.65 0.00 0.00 35.03 35.09 2py1 n LYS 98 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2py1 n ASN 99 N 1.14 3.18 -4.71 -5.58 3.02 -1.26 -4.84 115.26 106.21 2py1 n ASN 99 Ca 0.00 -2.38 -0.35 0.00 -0.03 0.00 0.00 54.58 51.82 2py1 n ASN 99 Cb 0.00 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.56 2py1 n ASN 99 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2py1 s ILE 100 N -1.83 5.02 -0.28 2.41 1.01 0.51 -5.08 121.20 122.96 2py1 s ILE 100 Ca 0.28 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 2py1 s ILE 100 Cb 0.20 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2py1 s ILE 100 CO 0.10 0.51 0.17 -1.59 0.00 0.00 0.00 174.94 174.13 2py1 s LYS 101 N -0.10 3.77 0.19 2.79 -2.85 -1.26 -2.00 119.74 120.28 2py1 s LYS 101 Ca 0.08 -0.43 0.11 0.00 -1.00 0.00 0.00 55.97 54.73 2py1 s LYS 101 Cb -0.12 -3.60 -0.04 0.00 -2.06 0.00 0.00 37.83 32.01 2py1 s LYS 101 CO 0.01 -0.24 -0.23 0.45 0.10 0.00 0.00 175.35 175.44 2py1 s SER 102 N 1.71 3.33 -0.06 0.03 0.15 -1.24 -4.28 113.70 113.34 2py1 s SER 102 Ca 0.07 -0.87 -0.03 0.00 0.70 0.00 0.00 55.95 55.82 2py1 s SER 102 Cb -0.16 -0.24 0.04 0.00 -1.71 0.00 0.00 66.02 63.95 2py1 s SER 102 CO 0.09 0.10 0.11 -0.69 1.20 0.00 0.00 173.24 174.05 2py1 s VAL 103 N -1.73 -0.18 -0.09 4.45 1.01 -1.26 -4.25 120.40 118.36 2py1 s VAL 103 Ca 0.20 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 2py1 s VAL 103 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2py1 s VAL 103 CO 0.09 0.15 -0.00 -0.89 0.00 0.00 0.00 175.10 174.46 2py1 s THR 104 N 2.12 4.27 -0.06 3.92 2.01 -0.65 -3.10 115.64 124.15 2py1 s THR 104 Ca 0.03 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 2py1 s THR 104 Cb -0.12 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.61 2py1 s THR 104 CO -0.05 0.59 0.15 -0.70 -0.69 0.00 0.00 174.62 173.93 2py1 s GLU 105 N -0.77 0.14 -0.20 4.92 2.12 -1.12 -2.75 118.70 121.05 2py1 s GLU 105 Ca 0.12 0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.69 2py1 s GLU 105 Cb -0.11 -0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.24 2py1 s GLU 105 CO 0.02 -0.08 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.12 2py1 s LEU 106 N 0.53 3.05 -0.09 2.70 1.43 -0.87 -2.77 118.68 122.67 2py1 s LEU 106 Ca -0.04 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2py1 s LEU 106 Cb -0.05 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.43 2py1 s LEU 106 CO -0.02 0.04 -0.01 0.21 0.23 0.00 0.00 176.35 176.80 2py1 s ASN 107 N 1.10 1.76 0.37 2.29 2.47 -0.40 -4.43 114.94 118.10 2py1 s ASN 107 Ca 0.02 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.13 2py1 s ASN 107 Cb -0.15 -0.51 0.00 0.00 -1.45 0.00 0.00 41.25 39.14 2py1 s ASN 107 CO 0.00 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 173.80 2py1 n GLY 108 N 5.11 0.70 0.85 1.21 0.00 -1.26 0.17 105.19 111.96 2py1 n GLY 108 Ca -0.08 0.75 0.05 0.00 0.00 0.00 0.00 46.02 46.75 2py1 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2py1 n ASP 109 N 4.92 1.45 -4.22 1.61 8.00 -1.26 -3.50 116.55 123.55 2py1 n ASP 109 Ca 0.00 -3.13 -0.22 0.00 0.71 0.00 0.00 54.79 52.15 2py1 n ASP 109 Cb 0.00 -0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 40.54 2py1 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2py1 s ILE 110 N -1.99 1.42 -0.05 0.53 1.01 0.45 -2.24 121.20 120.32 2py1 s ILE 110 Ca 0.34 -1.30 0.02 0.00 0.00 0.00 0.00 60.65 59.72 2py1 s ILE 110 Cb 0.35 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.54 2py1 s ILE 110 CO -0.09 -0.04 -0.10 -0.63 0.00 0.00 0.00 174.94 174.08 2py1 s ILE 111 N -1.05 0.96 -0.16 2.92 1.01 -1.19 -1.28 121.20 122.41 2py1 s ILE 111 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2py1 s ILE 111 Cb -0.09 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.52 2py1 s ILE 111 CO 0.03 0.31 -0.14 -0.89 0.00 0.00 0.00 174.94 174.25 2py1 s THR 112 N 0.61 1.61 -0.03 2.92 2.01 -1.11 -3.61 115.64 118.04 2py1 s THR 112 Ca -0.12 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2py1 s THR 112 Cb -0.14 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 2py1 s THR 112 CO 0.02 0.42 -0.12 0.54 -0.69 0.00 0.00 174.62 174.79 2py1 s ASN 113 N 1.46 1.59 0.13 3.53 4.22 -1.23 -2.79 114.94 121.85 2py1 s ASN 113 Ca 0.04 -0.25 0.02 0.00 -2.14 0.00 0.00 52.86 50.53 2py1 s ASN 113 Cb -0.13 -0.40 -0.04 0.00 1.28 0.00 0.00 41.25 41.96 2py1 s ASN 113 CO -0.10 0.11 0.24 -0.89 -2.04 0.00 0.00 177.10 174.42 2py1 s THR 114 N 0.08 5.22 -0.11 0.54 2.01 -1.18 -3.27 115.64 118.93 2py1 s THR 114 Ca -0.02 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 2py1 s THR 114 Cb -0.09 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.82 2py1 s THR 114 CO 0.01 -0.03 0.23 -0.32 -0.69 0.00 0.00 174.62 173.82 2py1 s MET 115 N -3.03 0.14 -0.22 4.92 1.75 -0.79 -4.12 119.30 117.95 2py1 s MET 115 Ca 0.34 0.62 0.01 0.00 -1.25 0.00 0.00 55.69 55.41 2py1 s MET 115 Cb -0.11 -0.11 0.04 0.00 2.84 0.00 0.00 34.83 37.48 2py1 s MET 115 CO 0.28 -0.24 -0.14 -0.08 -0.65 0.00 0.00 175.02 174.19 2py1 s THR 116 N 1.92 2.25 -0.19 10.11 -1.32 -1.26 -0.67 115.64 126.48 2py1 s THR 116 Ca -0.03 -1.24 -0.04 0.00 -1.21 0.00 0.00 61.69 59.17 2py1 s THR 116 Cb -0.11 -2.13 0.09 0.00 -1.51 0.00 0.00 72.50 68.83 2py1 s THR 116 CO -0.08 0.25 0.21 -0.22 -2.21 0.00 0.00 174.62 172.57 2py1 s LEU 117 N 1.22 -0.06 0.00 9.08 2.96 -1.25 -4.63 118.68 126.00 2py1 s LEU 117 Ca -0.02 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 2py1 s LEU 117 Cb -0.16 0.32 0.00 0.00 0.50 0.00 0.00 46.19 46.84 2py1 s LEU 117 CO -0.08 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.24 2py1 n GLY 118 N 5.32 2.57 0.00 7.98 0.00 -1.26 -4.10 105.19 115.69 2py1 n GLY 118 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2py1 n GLY 118 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2py1 n ASP 119 N 3.04 0.00 -4.65 1.61 2.03 -1.26 -5.11 116.55 112.21 2py1 n ASP 119 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2py1 n ASP 119 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2py1 n ASP 119 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2py1 s ILE 120 N 0.00 4.85 -0.15 5.18 1.01 -1.26 -5.03 121.20 125.81 2py1 s ILE 120 Ca 0.00 1.57 -0.16 0.00 0.00 0.00 0.00 60.65 62.06 2py1 s ILE 120 Cb 0.00 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2py1 s ILE 120 CO 0.00 -0.04 0.38 0.54 0.00 0.00 0.00 174.94 175.82 2py1 s VAL 121 N 2.63 5.25 -0.02 2.92 0.11 -1.26 -3.79 120.40 126.24 2py1 s VAL 121 Ca 0.35 0.72 -0.00 0.00 -2.93 0.00 0.00 61.98 60.12 2py1 s VAL 121 Cb -0.16 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2py1 s VAL 121 CO 0.09 0.34 0.04 0.12 -3.33 0.00 0.00 175.10 172.36 2py1 s PHE 122 N 0.68 3.21 0.12 1.54 5.36 0.16 -4.94 117.98 124.11 2py1 s PHE 122 Ca 0.20 0.17 0.10 0.00 -0.96 0.00 0.00 56.93 56.45 2py1 s PHE 122 Cb -0.14 -1.73 -0.04 0.00 -0.34 0.00 0.00 43.02 40.77 2py1 s PHE 122 CO 0.07 0.52 -0.26 0.21 -1.46 0.00 0.00 175.22 174.29 2py1 s LYS 123 N -1.53 1.39 -0.03 10.12 2.20 -1.26 -1.88 119.74 128.75 2py1 s LYS 123 Ca 0.20 -1.31 0.01 0.00 -0.36 0.00 0.00 55.97 54.51 2py1 s LYS 123 Cb -0.12 -1.83 0.02 0.00 -1.51 0.00 0.00 37.83 34.39 2py1 s LYS 123 CO 0.11 0.44 -0.02 0.50 -0.36 0.00 0.00 175.35 176.01 2py1 s ARG 124 N -1.98 0.52 -0.02 4.03 3.00 -1.20 -3.68 118.95 119.61 2py1 s ARG 124 Ca 0.13 -0.02 0.04 0.00 -1.00 0.00 0.00 55.73 54.88 2py1 s ARG 124 Cb -0.10 -0.61 -0.00 0.00 0.00 0.00 0.00 34.95 34.23 2py1 s ARG 124 CO 0.05 -0.09 -0.13 0.42 0.00 0.00 0.00 175.30 175.56 2py1 s ILE 125 N 0.88 1.04 0.04 4.11 1.01 -1.20 -3.52 121.20 123.57 2py1 s ILE 125 Ca -0.10 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2py1 s ILE 125 Cb -0.13 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 2py1 s ILE 125 CO -0.01 0.31 0.03 -0.94 0.00 0.00 0.00 174.94 174.33 2py1 s SER 126 N -0.02 0.31 0.09 3.58 1.04 -1.24 -2.34 113.70 115.12 2py1 s SER 126 Ca -0.00 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.75 2py1 s SER 126 Cb -0.08 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 2py1 s SER 126 CO 0.01 -0.53 -0.12 -1.59 0.98 0.00 0.00 173.24 171.99 2py1 s LYS 127 N -3.04 0.86 0.19 4.02 0.00 -1.26 -3.17 119.74 117.34 2py1 s LYS 127 Ca -0.01 -1.10 -0.31 0.00 0.00 0.00 0.00 55.97 54.55 2py1 s LYS 127 Cb 0.01 -0.68 -0.09 0.00 0.00 0.00 0.00 37.83 37.07 2py1 s LYS 127 CO -0.07 0.13 1.44 0.50 0.00 0.00 0.00 175.35 177.35 2py1 s ARG 128 N -2.43 4.28 0.00 1.78 3.52 -0.95 -3.80 118.95 121.35 2py1 s ARG 128 Ca 0.04 2.23 0.08 0.00 -0.13 0.00 0.00 55.73 57.94 2py1 s ARG 128 Cb -0.06 -3.16 0.45 0.00 -1.56 0.00 0.00 34.95 30.62 2py1 s ARG 128 CO 0.01 -0.45 0.91 -0.89 -0.81 0.00 0.00 175.30 174.07