#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 -0.61 0.49 1.61 1.04 -1.26 -5.15 113.70 109.82 2py1 s SER 2 Ca 0.00 0.43 -0.21 0.00 0.48 0.00 0.00 55.95 56.66 2py1 s SER 2 Cb 0.00 0.55 -0.11 0.00 0.10 0.00 0.00 66.02 66.56 2py1 s SER 2 CO 0.00 -0.73 0.59 0.80 0.98 0.00 0.00 173.24 174.88 2py1 n MET 3 N 0.41 0.63 -0.95 4.02 0.00 -1.26 -4.85 117.12 115.13 2py1 n MET 3 Ca -0.18 0.24 -0.35 0.00 -0.00 0.00 0.00 57.70 57.41 2py1 n MET 3 Cb 0.60 -1.65 0.07 0.00 0.00 0.00 0.00 33.22 32.24 2py1 n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2py1 n SER 4 N 0.86 -4.52 -2.79 6.12 7.64 -1.26 -5.00 113.62 114.67 2py1 n SER 4 Ca 0.11 0.26 0.03 0.00 1.01 0.00 0.00 58.87 60.27 2py1 n SER 4 Cb 0.43 -0.93 0.01 0.00 -1.01 0.00 0.00 64.21 62.71 2py1 n SER 4 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2py1 s PHE 5 N -2.13 -0.21 -0.62 1.43 5.36 -1.26 -5.03 117.98 115.52 2py1 s PHE 5 Ca 0.47 0.05 -0.19 0.00 -0.96 0.00 0.00 56.93 56.29 2py1 s PHE 5 Cb -0.20 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.54 2py1 s PHE 5 CO 0.77 -0.14 0.64 0.45 -1.46 0.00 0.00 175.22 175.48 2py1 n SER 6 N 3.87 -5.48 -5.01 6.13 2.88 -1.26 -4.97 113.62 109.78 2py1 n SER 6 Ca 0.06 -0.46 -0.19 0.00 -1.33 0.00 0.00 58.87 56.95 2py1 n SER 6 Cb 0.63 -2.06 0.05 0.00 -0.75 0.00 0.00 64.21 62.08 2py1 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2py1 s GLY 7 N -2.26 1.80 -0.02 0.46 0.00 -1.21 -4.97 107.32 101.12 2py1 s GLY 7 Ca 0.20 -1.96 0.01 0.00 0.00 0.00 0.00 44.72 42.97 2py1 s GLY 7 CO 0.87 -1.59 -0.02 0.54 0.00 0.00 0.00 173.10 172.90 2py1 s LYS 8 N -4.59 0.43 0.08 2.90 1.02 -1.26 -2.85 119.74 115.47 2py1 s LYS 8 Ca 0.60 -0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.61 2py1 s LYS 8 Cb -0.07 -0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 2py1 s LYS 8 CO 0.37 -0.04 -0.16 0.71 -0.92 0.00 0.00 175.35 175.31 2py1 s TYR 9 N 0.60 1.42 -0.03 3.18 2.02 -1.21 -2.69 117.35 120.64 2py1 s TYR 9 Ca -0.07 -0.45 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 2py1 s TYR 9 Cb -0.10 -0.79 -0.00 0.00 -0.40 0.00 0.00 41.96 40.67 2py1 s TYR 9 CO -0.01 0.11 -0.14 -1.14 -1.57 0.00 0.00 175.55 172.80 2py1 s GLN 10 N -1.86 1.37 0.07 -0.62 0.74 -0.97 -3.12 119.66 115.28 2py1 s GLN 10 Ca 0.01 -0.50 -0.37 0.00 0.05 0.00 0.00 55.36 54.56 2py1 s GLN 10 Cb -0.10 -1.25 -0.18 0.00 1.10 0.00 0.00 33.01 32.59 2py1 s GLN 10 CO 0.03 0.23 1.14 1.47 -0.55 0.00 0.00 175.29 177.62 2py1 n LEU 11 N 3.04 0.74 0.00 3.68 -0.00 -0.48 -3.72 117.00 120.26 2py1 n LEU 11 Ca -0.17 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 2py1 n LEU 11 Cb 0.54 -1.07 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 2py1 n LEU 11 CO 0.25 -1.58 0.00 0.00 -0.00 0.00 0.00 177.39 176.05 2py1 n GLN 12 N 1.86 0.00 -4.13 1.47 1.13 -1.15 -4.93 117.38 111.63 2py1 n GLN 12 Ca 0.18 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.09 2py1 n GLN 12 Cb 0.16 -0.11 -0.11 0.00 0.11 0.00 0.00 30.24 30.28 2py1 n GLN 12 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2py1 s SER 13 N -2.08 1.33 0.03 1.08 0.01 -0.99 -5.03 113.70 108.04 2py1 s SER 13 Ca 0.00 -0.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.59 2py1 s SER 13 Cb 0.00 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 2py1 s SER 13 CO 0.00 -0.16 0.04 0.00 0.41 0.00 0.00 173.24 173.52 2py1 s GLN 14 N -1.92 0.46 -0.20 12.44 0.00 -1.26 -1.89 119.66 127.29 2py1 s GLN 14 Ca -0.03 -0.70 0.00 0.00 -0.00 0.00 0.00 55.36 54.63 2py1 s GLN 14 Cb -0.08 0.18 0.02 0.00 0.00 0.00 0.00 33.01 33.12 2py1 s GLN 14 CO 0.01 -0.10 -0.15 -2.00 0.00 0.00 0.00 175.29 173.05 2py1 s GLU 15 N -2.12 2.92 -1.06 9.60 2.12 -1.16 -4.78 118.70 124.22 2py1 s GLU 15 Ca -0.09 -0.89 -0.22 0.00 0.36 0.00 0.00 54.97 54.13 2py1 s GLU 15 Cb -0.05 -2.71 0.03 0.00 0.26 0.00 0.00 34.13 31.66 2py1 s GLU 15 CO -0.03 -0.28 0.65 0.09 -0.54 0.00 0.00 175.26 175.15 2py1 n ASN 16 N 4.62 -4.38 -0.03 -1.70 4.13 -1.26 -4.58 115.26 112.05 2py1 n ASN 16 Ca -0.19 -1.18 -0.14 0.00 1.68 0.00 0.00 54.58 54.74 2py1 n ASN 16 Cb 0.49 -1.61 -0.10 0.00 -1.54 0.00 0.00 39.78 37.02 2py1 n ASN 16 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 2py1 h PHE 17 N -1.74 0.31 -0.74 3.10 -5.15 -1.97 -3.23 116.94 107.51 2py1 h PHE 17 Ca -0.69 -0.13 0.12 0.00 -0.20 0.00 0.00 57.97 57.08 2py1 h PHE 17 Cb 1.41 -0.05 -0.09 0.00 0.22 0.00 0.00 35.95 37.44 2py1 h PHE 17 CO 0.31 0.82 0.33 0.93 -2.00 0.00 0.00 178.31 178.71 2py1 h GLU 18 N -0.29 0.50 -0.74 6.09 5.08 -1.99 0.43 114.58 123.66 2py1 h GLU 18 Ca -0.01 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.48 2py1 h GLU 18 Cb 0.83 -0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.86 2py1 h GLU 18 CO 0.04 0.33 0.21 0.00 -1.00 0.00 0.00 179.01 178.59 2py1 h ALA 19 N 1.50 0.99 0.00 3.43 0.00 -1.93 1.34 119.26 124.59 2py1 h ALA 19 Ca 0.39 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2py1 h ALA 19 Cb 0.53 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2py1 h ALA 19 CO -0.35 -0.32 -0.05 0.35 0.00 0.00 0.00 179.25 178.88 2py1 h PHE 20 N 0.30 0.00 0.13 0.00 3.57 -0.95 -0.88 116.94 119.11 2py1 h PHE 20 Ca 0.42 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.57 2py1 h PHE 20 Cb 0.71 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 2py1 h PHE 20 CO -0.24 0.05 -1.90 0.52 -2.23 0.00 0.00 178.31 174.51 2py1 h MET 21 N 0.00 0.28 0.00 1.11 2.86 0.18 -3.33 114.93 116.02 2py1 h MET 21 Ca -0.00 -0.48 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 2py1 h MET 21 Cb 0.30 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 2py1 h MET 21 CO 0.01 1.19 -0.15 0.87 1.06 0.00 0.00 176.91 179.89 2py1 h LYS 22 N 0.08 0.00 -0.85 1.72 1.57 0.12 0.12 116.57 119.33 2py1 h LYS 22 Ca -0.39 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2py1 h LYS 22 Cb 2.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.32 2py1 h LYS 22 CO 0.11 0.15 0.56 0.00 -0.57 0.00 0.00 179.45 179.70 2py1 h ALA 23 N 1.85 1.09 0.00 3.86 0.00 -1.28 -1.70 119.26 123.07 2py1 h ALA 23 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2py1 h ALA 23 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2py1 h ALA 23 CO 0.02 0.45 -0.87 -0.84 0.00 0.00 0.00 179.25 178.01 2py1 h ILE 24 N 1.12 0.49 0.00 0.00 3.07 -1.61 -3.48 117.51 117.10 2py1 h ILE 24 Ca 0.32 -1.79 0.00 0.00 1.55 0.00 0.00 64.86 64.94 2py1 h ILE 24 Cb -0.09 2.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 2py1 h ILE 24 CO -0.08 0.28 0.00 0.61 -1.05 0.00 0.00 178.15 177.90 2py1 n GLY 25 N 1.27 0.66 3.74 0.16 0.00 -0.50 -5.09 105.19 105.42 2py1 n GLY 25 Ca -0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 4.50 0.97 0.99 2.01 0.30 -4.96 118.68 122.48 2py1 s LEU 26 Ca 0.00 1.71 -0.14 0.00 0.01 0.00 0.00 54.13 55.71 2py1 s LEU 26 Cb 0.00 -3.49 0.17 0.00 0.01 0.00 0.00 46.19 42.88 2py1 s LEU 26 CO 0.00 -0.03 1.16 -2.16 1.01 0.00 0.00 176.35 176.34 2py1 s PRO 27 N -0.10 0.68 0.04 1.29 0.04 -1.26 -4.67 135.00 131.02 2py1 s PRO 27 Ca 0.44 0.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.45 2py1 s PRO 27 Cb -0.23 -1.80 -0.29 0.00 0.04 0.00 0.00 34.50 32.22 2py1 s PRO 27 CO 0.28 -2.48 1.09 1.05 0.04 0.00 0.00 177.00 176.98 2py1 h GLU 28 N -1.70 0.60 -0.98 4.56 4.11 -1.97 -2.08 114.58 117.12 2py1 h GLU 28 Ca -0.49 -0.81 0.03 0.00 0.07 0.00 0.00 59.36 58.17 2py1 h GLU 28 Cb 1.31 0.27 -0.06 0.00 0.50 0.00 0.00 28.75 30.77 2py1 h GLU 28 CO 0.54 1.37 0.65 1.05 0.07 0.00 0.00 179.01 182.68 2py1 h GLU 29 N 0.22 1.22 -0.10 1.06 4.11 -1.97 1.50 114.58 120.63 2py1 h GLU 29 Ca -0.19 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 59.10 2py1 h GLU 29 Cb 1.89 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2py1 h GLU 29 CO 0.23 0.81 -0.21 -0.07 0.07 0.00 0.00 179.01 179.84 2py1 h LEU 30 N 1.26 0.36 -0.46 3.06 3.38 -1.95 0.01 115.31 120.96 2py1 h LEU 30 Ca 0.38 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2py1 h LEU 30 Cb -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2py1 h LEU 30 CO -0.11 0.86 0.20 0.40 0.09 0.00 0.00 178.44 179.88 2py1 h ILE 31 N -0.13 1.20 0.00 1.22 2.04 -0.83 0.37 117.51 121.37 2py1 h ILE 31 Ca 0.00 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 2py1 h ILE 31 Cb 0.81 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2py1 h ILE 31 CO 0.05 0.22 -0.22 1.56 0.00 0.00 0.00 178.15 179.76 2py1 h GLN 32 N 0.60 0.00 0.04 2.37 1.08 0.21 0.12 115.11 119.54 2py1 h GLN 32 Ca 0.16 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2py1 h GLN 32 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2py1 h GLN 32 CO -0.02 0.22 -0.02 0.87 -0.95 0.00 0.00 178.83 178.93 2py1 h LYS 33 N 0.00 -0.05 -0.81 1.46 1.57 -0.07 -2.97 116.57 115.69 2py1 h LYS 33 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2py1 h LYS 33 Cb 0.48 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2py1 h LYS 33 CO 0.03 0.57 0.53 0.78 -0.57 0.00 0.00 179.45 180.79 2py1 h GLY 34 N -0.91 1.16 2.00 3.86 0.00 -0.14 0.28 103.07 109.32 2py1 h GLY 34 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2py1 h GLY 34 CO 0.01 0.37 -0.02 1.70 0.00 0.00 0.00 176.54 178.60 2py1 h LYS 35 N 1.05 0.00 -0.00 4.80 3.64 -0.85 0.55 116.57 125.75 2py1 h LYS 35 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2py1 h LYS 35 Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2py1 h LYS 35 CO -0.09 0.02 -0.25 -3.47 -2.27 0.00 0.00 179.45 173.39 2py1 n ASP 36 N -3.92 0.34 -4.20 4.20 2.03 0.02 -4.66 116.55 110.37 2py1 n ASP 36 Ca -0.03 -0.07 -0.35 0.00 0.52 0.00 0.00 54.79 54.87 2py1 n ASP 36 Cb 0.10 -0.07 -0.14 0.00 -0.72 0.00 0.00 41.12 40.29 2py1 n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2py1 s ILE 37 N -2.89 2.96 -0.36 5.18 -1.09 0.19 -5.05 121.20 120.14 2py1 s ILE 37 Ca 0.16 -1.15 -0.28 0.00 -2.23 0.00 0.00 60.65 57.15 2py1 s ILE 37 Cb 0.19 -2.58 -0.07 0.00 -1.58 0.00 0.00 42.46 38.41 2py1 s ILE 37 CO 0.60 0.07 2.32 2.29 -1.23 0.00 0.00 174.94 178.99 2py1 n LYS 38 N 4.66 1.47 -1.48 2.79 2.85 -1.26 -4.78 118.16 122.40 2py1 n LYS 38 Ca -0.15 0.27 -0.44 0.00 -1.05 0.00 0.00 58.31 56.95 2py1 n LYS 38 Cb 0.46 -3.24 -0.10 0.00 -0.65 0.00 0.00 35.03 31.49 2py1 n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2py1 n GLY 39 N 5.95 -0.10 3.65 2.58 0.00 -1.26 -4.80 105.19 111.21 2py1 n GLY 39 Ca 0.35 0.98 -0.34 0.00 0.00 0.00 0.00 46.02 47.01 2py1 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2py1 s VAL 40 N 9.21 4.12 -0.21 1.61 1.01 -1.26 -1.38 120.40 133.51 2py1 s VAL 40 Ca 1.20 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 2py1 s VAL 40 Cb -0.93 -2.73 0.07 0.00 0.00 0.00 0.00 36.38 32.79 2py1 s VAL 40 CO 0.45 0.58 0.07 -0.44 0.00 0.00 0.00 175.10 175.76 2py1 s SER 41 N -0.93 2.87 0.05 3.32 0.01 -1.18 -4.46 113.70 113.38 2py1 s SER 41 Ca 0.14 -0.87 -0.18 0.00 1.31 0.00 0.00 55.95 56.35 2py1 s SER 41 Cb -0.11 -0.46 -0.06 0.00 0.21 0.00 0.00 66.02 65.60 2py1 s SER 41 CO 0.03 -0.35 0.53 -1.61 0.41 0.00 0.00 173.24 172.25 2py1 s GLU 42 N 1.97 4.13 -0.23 12.44 2.02 -1.26 -3.36 118.70 134.41 2py1 s GLU 42 Ca 0.02 0.65 -0.07 0.00 0.02 0.00 0.00 54.97 55.59 2py1 s GLU 42 Cb -0.17 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 2py1 s GLU 42 CO -0.13 0.64 0.06 0.96 0.02 0.00 0.00 175.26 176.81 2py1 s ILE 43 N -1.05 4.37 -0.16 -1.63 -4.36 -1.13 -4.36 121.20 112.89 2py1 s ILE 43 Ca 0.28 -0.16 -0.00 0.00 -0.26 0.00 0.00 60.65 60.50 2py1 s ILE 43 Cb -0.19 -3.03 -0.00 0.00 1.25 0.00 0.00 42.46 40.49 2py1 s ILE 43 CO 0.17 0.37 -0.13 -0.69 0.24 0.00 0.00 174.94 174.90 2py1 s VAL 44 N 1.35 2.84 -0.05 8.37 1.01 -0.81 -3.34 120.40 129.77 2py1 s VAL 44 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2py1 s VAL 44 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2py1 s VAL 44 CO 0.03 0.50 -0.04 0.00 0.00 0.00 0.00 175.10 175.59 2py1 s GLN 45 N 0.82 0.85 -0.41 2.72 1.03 -1.26 0.13 119.66 123.55 2py1 s GLN 45 Ca -0.04 -0.10 0.08 0.00 0.04 0.00 0.00 55.36 55.33 2py1 s GLN 45 Cb -0.15 -0.88 0.25 0.00 0.03 0.00 0.00 33.01 32.26 2py1 s GLN 45 CO 0.00 -0.10 0.60 -1.71 -2.54 0.00 0.00 175.29 171.55 2py1 n ASN 46 N 4.13 -0.44 0.00 12.60 5.15 -1.01 -4.75 115.26 130.94 2py1 n ASN 46 Ca -0.23 -2.83 0.00 0.00 -0.60 0.00 0.00 54.58 50.92 2py1 n ASN 46 Cb 0.51 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 2py1 n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2py1 n GLY 47 N 1.42 1.03 0.03 8.20 0.00 -1.26 -4.29 105.19 110.32 2py1 n GLY 47 Ca 0.19 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 0.84 -2.98 1.61 5.02 -1.26 -5.01 118.16 116.39 2py1 n LYS 48 Ca 0.00 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 2py1 n LYS 48 Cb 0.00 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 2py1 n LYS 48 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2py1 s HIS 49 N -2.11 3.82 0.07 2.13 -3.43 -1.26 -4.01 115.29 110.51 2py1 s HIS 49 Ca -0.06 1.56 0.08 0.00 -0.80 0.00 0.00 55.06 55.84 2py1 s HIS 49 Cb 0.02 -2.80 -0.04 0.00 -1.43 0.00 0.00 32.58 28.33 2py1 s HIS 49 CO 0.13 0.39 -0.17 -0.06 -2.00 0.00 0.00 174.74 173.04 2py1 s PHE 50 N -0.60 2.57 0.04 0.38 0.40 0.18 -2.42 117.98 118.52 2py1 s PHE 50 Ca 0.37 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.45 2py1 s PHE 50 Cb -0.22 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 2py1 s PHE 50 CO 0.25 0.31 0.20 0.21 0.70 0.00 0.00 175.22 176.90 2py1 s LYS 51 N -1.73 3.45 0.11 0.44 2.20 0.12 -0.98 119.74 123.35 2py1 s LYS 51 Ca 0.16 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.43 2py1 s LYS 51 Cb -0.11 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2py1 s LYS 51 CO 0.08 0.63 -0.11 -0.06 -0.36 0.00 0.00 175.35 175.52 2py1 s PHE 52 N -1.45 1.21 0.01 4.03 0.08 -1.09 -1.93 117.98 118.85 2py1 s PHE 52 Ca 0.32 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.75 2py1 s PHE 52 Cb -0.13 -0.64 -0.01 0.00 -0.57 0.00 0.00 43.02 41.67 2py1 s PHE 52 CO 0.25 0.07 -0.04 0.99 -0.10 0.00 0.00 175.22 176.38 2py1 s THR 53 N -2.48 0.33 -0.21 0.64 2.01 -1.26 -3.96 115.64 110.71 2py1 s THR 53 Ca 0.08 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 2py1 s THR 53 Cb -0.03 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 2py1 s THR 53 CO 0.01 -0.04 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.24 2py1 s ILE 54 N -0.43 3.65 -0.82 1.82 -1.09 -1.24 -4.63 121.20 118.46 2py1 s ILE 54 Ca -0.02 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 2py1 s ILE 54 Cb -0.04 -2.65 0.25 0.00 -1.58 0.00 0.00 42.46 38.44 2py1 s ILE 54 CO -0.00 0.43 0.89 0.41 -1.23 0.00 0.00 174.94 175.44 2py1 n THR 55 N 4.48 3.14 -1.52 2.92 -1.04 -1.26 -3.95 114.28 117.06 2py1 n THR 55 Ca -0.18 -5.31 0.00 0.00 -2.04 0.00 0.00 64.05 56.53 2py1 n THR 55 Cb 0.51 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 2py1 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2py1 n ALA 56 N 1.52 0.00 -0.21 2.41 0.00 -1.18 -4.71 120.51 118.35 2py1 n ALA 56 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2py1 n ALA 56 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2py1 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2py1 n GLY 57 N 5.00 -2.90 2.48 0.00 0.00 -1.26 -4.18 105.19 104.33 2py1 n GLY 57 Ca 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 46.02 46.44 2py1 n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2py1 n SER 58 N -2.44 -1.07 -3.62 1.61 3.41 -1.26 -5.03 113.62 105.22 2py1 n SER 58 Ca 0.00 -3.25 -0.10 0.00 -0.26 0.00 0.00 58.87 55.26 2py1 n SER 58 Cb 0.00 0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 64.59 2py1 n SER 58 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2py1 s LYS 59 N -0.71 0.57 0.13 4.33 -2.85 -1.26 -5.18 119.74 114.78 2py1 s LYS 59 Ca 0.32 0.56 0.07 0.00 -1.00 0.00 0.00 55.97 55.92 2py1 s LYS 59 Cb 0.28 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.29 2py1 s LYS 59 CO -0.11 -0.09 -0.17 0.08 0.10 0.00 0.00 175.35 175.16 2py1 s VAL 60 N -0.01 1.58 -0.05 1.79 1.01 -1.26 -3.10 120.40 120.37 2py1 s VAL 60 Ca 0.02 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.29 2py1 s VAL 60 Cb -0.04 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2py1 s VAL 60 CO -0.04 -0.28 -0.10 -0.63 0.00 0.00 0.00 175.10 174.05 2py1 s ILE 61 N -1.82 0.94 -0.23 2.22 1.01 -1.25 -4.94 121.20 117.12 2py1 s ILE 61 Ca 0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 2py1 s ILE 61 Cb -0.07 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 2py1 s ILE 61 CO 0.05 0.30 -0.03 0.00 0.00 0.00 0.00 174.94 175.26 2py1 s GLN 62 N 0.54 3.27 -0.18 2.79 -2.07 -1.26 -3.61 119.66 119.14 2py1 s GLN 62 Ca -0.10 -0.70 -0.22 0.00 -1.82 0.00 0.00 55.36 52.52 2py1 s GLN 62 Cb -0.13 -3.05 0.06 0.00 -1.09 0.00 0.00 33.01 28.79 2py1 s GLN 62 CO 0.02 -0.26 0.59 0.54 -1.32 0.00 0.00 175.29 174.86 2py1 s ASN 63 N 1.46 -0.59 0.01 12.60 4.22 -1.25 -5.08 114.94 126.31 2py1 s ASN 63 Ca 0.05 1.04 0.03 0.00 -2.14 0.00 0.00 52.86 51.83 2py1 s ASN 63 Cb -0.15 1.04 -0.04 0.00 1.28 0.00 0.00 41.25 43.38 2py1 s ASN 63 CO -0.03 -0.29 -0.04 -1.61 -2.04 0.00 0.00 177.10 173.09 2py1 s GLU 64 N -0.06 2.61 0.04 3.55 2.02 -1.26 -2.66 118.70 122.94 2py1 s GLU 64 Ca -0.03 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.29 2py1 s GLU 64 Cb -0.04 -2.55 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 2py1 s GLU 64 CO 0.03 0.60 -0.11 0.12 0.02 0.00 0.00 175.26 175.91 2py1 s PHE 65 N -1.06 0.98 0.12 1.61 2.19 -0.15 -4.98 117.98 116.70 2py1 s PHE 65 Ca 0.19 -0.38 0.11 0.00 0.33 0.00 0.00 56.93 57.17 2py1 s PHE 65 Cb -0.11 -0.58 -0.04 0.00 -1.31 0.00 0.00 43.02 40.98 2py1 s PHE 65 CO 0.09 0.00 -0.26 -0.08 1.83 0.00 0.00 175.22 176.80 2py1 s THR 66 N -0.99 2.19 0.41 0.12 -1.32 -1.26 0.47 115.64 115.25 2py1 s THR 66 Ca -0.02 -1.72 -0.01 0.00 -1.21 0.00 0.00 61.69 58.73 2py1 s THR 66 Cb -0.08 -1.94 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 2py1 s THR 66 CO 0.01 0.08 0.64 -0.69 -2.21 0.00 0.00 174.62 172.45 2py1 s VAL 67 N -1.07 4.73 0.00 5.08 1.01 -1.26 -4.28 120.40 124.62 2py1 s VAL 67 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2py1 s VAL 67 Cb -0.10 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2py1 s VAL 67 CO 0.06 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.21 2py1 n GLY 68 N -1.98 2.84 3.49 4.51 0.00 -1.08 -4.99 105.19 107.99 2py1 n GLY 68 Ca -0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2py1 n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2py1 s GLU 69 N 0.00 1.70 -0.16 1.61 -1.05 -1.26 -4.96 118.70 114.58 2py1 s GLU 69 Ca 0.00 -1.91 -0.12 0.00 -0.15 0.00 0.00 54.97 52.80 2py1 s GLU 69 Cb 0.00 -1.26 -0.05 0.00 -0.44 0.00 0.00 34.13 32.38 2py1 s GLU 69 CO 0.00 -0.02 0.23 -1.83 0.95 0.00 0.00 175.26 174.59 2py1 s GLU 70 N -3.75 4.12 0.23 -4.83 -1.05 -1.26 -3.91 118.70 108.25 2py1 s GLU 70 Ca 0.33 -0.01 0.11 0.00 -0.15 0.00 0.00 54.97 55.25 2py1 s GLU 70 Cb 0.06 -3.38 -0.05 0.00 -0.44 0.00 0.00 34.13 30.32 2py1 s GLU 70 CO 0.15 0.35 -0.19 0.00 0.95 0.00 0.00 175.26 176.52 2py1 s GLU 72 N -3.12 3.46 0.10 0.00 2.12 -1.26 -0.69 118.70 119.30 2py1 s GLU 72 Ca 0.26 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 55.08 2py1 s GLU 72 Cb -0.07 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 2py1 s GLU 72 CO 0.13 -0.22 -0.20 -0.48 -0.54 0.00 0.00 175.26 173.95 2py1 s LEU 73 N 1.53 2.30 -0.26 2.70 2.34 -0.83 -4.94 118.68 121.52 2py1 s LEU 73 Ca 0.06 -0.68 -0.29 0.00 0.06 0.00 0.00 54.13 53.27 2py1 s LEU 73 Cb -0.15 -0.86 0.00 0.00 -0.56 0.00 0.00 46.19 44.62 2py1 s LEU 73 CO -0.00 0.05 1.23 -1.61 -1.06 0.00 0.00 176.35 174.96 2py1 s GLU 74 N -1.91 4.05 1.00 1.48 2.02 -1.26 -2.76 118.70 121.32 2py1 s GLU 74 Ca 0.06 1.33 -0.14 0.00 0.02 0.00 0.00 54.97 56.24 2py1 s GLU 74 Cb -0.10 -3.81 0.19 0.00 0.10 0.00 0.00 34.13 30.52 2py1 s GLU 74 CO 0.04 -0.94 1.14 0.99 0.02 0.00 0.00 175.26 176.52 2py1 s THR 75 N 3.93 1.91 -2.07 3.63 2.01 -0.48 -4.92 115.64 119.65 2py1 s THR 75 Ca 0.53 0.00 0.29 0.00 0.31 0.00 0.00 61.69 62.82 2py1 s THR 75 Cb -0.17 -2.66 0.79 0.00 0.01 0.00 0.00 72.50 70.46 2py1 s THR 75 CO 0.18 0.00 2.06 1.15 -0.69 0.00 0.00 174.62 177.32 2py1 n MET 76 N -4.09 1.10 -0.00 4.92 0.00 -1.26 -2.87 117.12 114.92 2py1 n MET 76 Ca 0.09 -0.15 0.13 0.00 0.00 0.00 0.00 57.70 57.77 2py1 n MET 76 Cb 0.59 -1.46 0.34 0.00 0.00 0.00 0.00 33.22 32.69 2py1 n MET 76 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2py1 n THR 77 N -0.78 0.00 -1.73 3.17 5.66 -1.26 -4.96 114.28 114.38 2py1 n THR 77 Ca 0.21 -0.36 -0.02 0.00 -3.05 0.00 0.00 64.05 60.84 2py1 n THR 77 Cb 0.14 0.93 0.01 0.00 -1.55 0.00 0.00 70.33 69.86 2py1 n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2py1 n GLY 78 N 1.25 0.61 3.82 1.09 0.00 -1.14 -5.08 105.19 105.75 2py1 n GLY 78 Ca 0.17 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 2py1 n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2py1 s GLU 79 N -3.18 2.07 -0.20 1.61 -1.05 -1.26 -5.00 118.70 111.69 2py1 s GLU 79 Ca 0.06 -1.34 0.01 0.00 -0.15 0.00 0.00 54.97 53.54 2py1 s GLU 79 Cb -0.01 0.57 0.05 0.00 -0.44 0.00 0.00 34.13 34.30 2py1 s GLU 79 CO 0.10 -0.97 -0.08 0.15 0.95 0.00 0.00 175.26 175.40 2py1 s LYS 80 N -2.15 1.84 0.06 -4.83 1.02 -1.26 -1.38 119.74 113.04 2py1 s LYS 80 Ca 0.17 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.45 2py1 s LYS 80 Cb -0.05 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 2py1 s LYS 80 CO 0.10 -0.46 -0.26 0.14 -0.92 0.00 0.00 175.35 173.96 2py1 s VAL 81 N 1.44 2.08 -0.39 3.17 -7.23 -1.11 -4.97 120.40 113.39 2py1 s VAL 81 Ca -0.02 -1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 58.59 2py1 s VAL 81 Cb -0.16 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.00 2py1 s VAL 81 CO -0.08 0.29 0.27 -1.59 -0.31 0.00 0.00 175.10 173.68 2py1 s LYS 82 N -1.37 3.04 0.16 4.82 0.00 -1.26 -1.97 119.74 123.16 2py1 s LYS 82 Ca 0.11 -0.96 0.05 0.00 0.00 0.00 0.00 55.97 55.17 2py1 s LYS 82 Cb -0.10 -3.90 -0.04 0.00 0.00 0.00 0.00 37.83 33.80 2py1 s LYS 82 CO 0.03 -0.68 0.13 -0.08 0.00 0.00 0.00 175.35 174.74 2py1 s THR 83 N 1.66 4.46 -0.07 3.79 -1.32 0.13 -4.80 115.64 119.49 2py1 s THR 83 Ca 0.05 -1.08 0.04 0.00 -1.21 0.00 0.00 61.69 59.49 2py1 s THR 83 Cb -0.19 -3.27 -0.00 0.00 -1.51 0.00 0.00 72.50 67.53 2py1 s THR 83 CO 0.09 -0.10 -0.21 0.54 -2.21 0.00 0.00 174.62 172.73 2py1 s VAL 84 N -1.74 1.82 -0.23 5.08 0.11 -1.25 -0.88 120.40 123.31 2py1 s VAL 84 Ca 0.31 -0.90 -0.09 0.00 -2.93 0.00 0.00 61.98 58.36 2py1 s VAL 84 Cb -0.10 -1.57 -0.04 0.00 -1.53 0.00 0.00 36.38 33.14 2py1 s VAL 84 CO 0.23 0.51 0.12 -0.69 -3.33 0.00 0.00 175.10 171.94 2py1 s VAL 85 N 0.20 5.00 0.17 2.04 1.01 -1.25 -3.13 120.40 124.44 2py1 s VAL 85 Ca -0.12 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2py1 s VAL 85 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2py1 s VAL 85 CO 0.06 0.36 -0.12 -1.58 0.00 0.00 0.00 175.10 173.82 2py1 s GLN 86 N 1.08 1.99 -0.09 2.72 0.74 0.56 -2.64 119.66 124.02 2py1 s GLN 86 Ca 0.06 -1.27 0.03 0.00 0.05 0.00 0.00 55.36 54.24 2py1 s GLN 86 Cb -0.14 -2.14 0.01 0.00 1.10 0.00 0.00 33.01 31.84 2py1 s GLN 86 CO 0.04 0.44 -0.20 -0.48 -0.55 0.00 0.00 175.29 174.54 2py1 s LEU 87 N -2.70 1.93 -0.33 3.68 0.05 -1.26 0.15 118.68 120.20 2py1 s LEU 87 Ca 0.24 -0.47 0.01 0.00 0.05 0.00 0.00 54.13 53.96 2py1 s LEU 87 Cb -0.09 -1.21 0.15 0.00 -2.05 0.00 0.00 46.19 42.99 2py1 s LEU 87 CO 0.14 0.11 0.34 -0.70 -0.55 0.00 0.00 176.35 175.70 2py1 s GLU 88 N 0.48 0.49 0.00 1.48 2.12 -0.93 -4.98 118.70 117.36 2py1 s GLU 88 Ca -0.17 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.68 2py1 s GLU 88 Cb -0.17 -0.67 0.00 0.00 0.26 0.00 0.00 34.13 33.55 2py1 s GLU 88 CO 0.07 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.08 2py1 n GLY 89 N 4.79 0.43 0.08 -1.50 0.00 -1.26 -4.47 105.19 103.25 2py1 n GLY 89 Ca 0.05 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 2py1 n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2py1 n ASP 90 N 0.00 2.38 -2.86 1.61 9.92 -1.26 -4.78 116.55 121.55 2py1 n ASP 90 Ca 0.00 -0.07 -0.12 0.00 -0.53 0.00 0.00 54.79 54.07 2py1 n ASP 90 Cb 0.00 -0.02 0.04 0.00 -0.64 0.00 0.00 41.12 40.49 2py1 n ASP 90 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2py1 n ASN 91 N -2.91 -0.13 -3.86 -2.24 3.02 -1.26 -5.09 115.26 102.79 2py1 n ASN 91 Ca -0.30 -2.98 -0.19 0.00 -0.03 0.00 0.00 54.58 51.09 2py1 n ASN 91 Cb 0.86 0.22 -0.16 0.00 -0.61 0.00 0.00 39.78 40.09 2py1 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2py1 s LYS 92 N -1.61 0.62 -0.03 3.52 2.20 -1.26 -0.91 119.74 122.27 2py1 s LYS 92 Ca 0.30 -0.03 0.07 0.00 -0.36 0.00 0.00 55.97 55.95 2py1 s LYS 92 Cb 0.38 -0.71 -0.02 0.00 -1.51 0.00 0.00 37.83 35.97 2py1 s LYS 92 CO -0.04 -0.11 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.09 2py1 s LEU 93 N 1.00 2.04 -0.18 5.43 1.43 -1.13 -2.19 118.68 125.08 2py1 s LEU 93 Ca -0.10 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2py1 s LEU 93 Cb -0.14 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 44.85 2py1 s LEU 93 CO -0.01 0.29 -0.13 -0.69 0.23 0.00 0.00 176.35 176.04 2py1 s VAL 94 N -0.49 1.68 0.04 -1.59 1.01 0.40 -1.89 120.40 119.56 2py1 s VAL 94 Ca 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2py1 s VAL 94 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2py1 s VAL 94 CO -0.00 0.32 -0.10 0.28 0.00 0.00 0.00 175.10 175.59 2py1 s THR 95 N 1.41 0.77 0.18 3.92 -1.32 -1.26 0.21 115.64 119.54 2py1 s THR 95 Ca 0.02 -1.02 0.10 0.00 -1.21 0.00 0.00 61.69 59.57 2py1 s THR 95 Cb -0.15 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 2py1 s THR 95 CO -0.10 -0.22 -0.21 -0.89 -2.21 0.00 0.00 174.62 170.99 2py1 s THR 96 N -1.11 2.08 -0.22 5.08 2.01 -1.18 -3.89 115.64 118.41 2py1 s THR 96 Ca -0.05 -1.95 -0.04 0.00 0.31 0.00 0.00 61.69 59.96 2py1 s THR 96 Cb -0.09 -1.97 0.09 0.00 0.01 0.00 0.00 72.50 70.55 2py1 s THR 96 CO 0.01 -0.20 0.18 0.12 -0.69 0.00 0.00 174.62 174.04 2py1 s PHE 97 N -1.80 -0.09 0.00 4.92 5.36 -1.14 -3.84 117.98 121.39 2py1 s PHE 97 Ca 0.18 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 2py1 s PHE 97 Cb -0.07 -0.54 0.00 0.00 -0.34 0.00 0.00 43.02 42.07 2py1 s PHE 97 CO 0.08 -0.65 0.00 1.17 -1.46 0.00 0.00 175.22 174.36 2py1 n LYS 98 N 5.30 0.00 -0.24 10.12 4.81 -1.26 -2.02 118.16 134.86 2py1 n LYS 98 Ca -0.06 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.42 2py1 n LYS 98 Cb 0.48 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.67 2py1 n LYS 98 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2py1 n ASN 99 N 1.55 2.14 -4.80 3.14 5.15 -1.26 -4.82 115.26 116.36 2py1 n ASN 99 Ca 0.00 -2.17 -0.36 0.00 -0.60 0.00 0.00 54.58 51.45 2py1 n ASN 99 Cb 0.00 -0.37 -0.07 0.00 -0.53 0.00 0.00 39.78 38.81 2py1 n ASN 99 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2py1 s ILE 100 N -1.65 5.43 -0.26 -1.44 1.01 -0.86 -5.05 121.20 118.38 2py1 s ILE 100 Ca 0.20 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 2py1 s ILE 100 Cb 0.13 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 2py1 s ILE 100 CO 0.10 0.54 0.06 -1.59 0.00 0.00 0.00 174.94 174.04 2py1 s LYS 101 N -0.39 3.46 0.18 2.79 -2.85 -1.26 -2.88 119.74 118.78 2py1 s LYS 101 Ca 0.12 -0.60 0.11 0.00 -1.00 0.00 0.00 55.97 54.59 2py1 s LYS 101 Cb -0.12 -3.29 -0.04 0.00 -2.06 0.00 0.00 37.83 32.32 2py1 s LYS 101 CO 0.01 -0.26 -0.23 -1.54 0.10 0.00 0.00 175.35 173.43 2py1 s SER 102 N 1.56 3.23 -0.07 0.03 1.04 -1.25 -3.95 113.70 114.29 2py1 s SER 102 Ca 0.05 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 2py1 s SER 102 Cb -0.15 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.77 2py1 s SER 102 CO 0.02 0.10 -0.01 -0.69 0.98 0.00 0.00 173.24 173.63 2py1 s VAL 103 N -1.64 0.48 -0.10 5.02 1.01 -1.24 -4.25 120.40 119.68 2py1 s VAL 103 Ca 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2py1 s VAL 103 Cb -0.08 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2py1 s VAL 103 CO 0.08 0.27 0.03 -0.89 0.00 0.00 0.00 175.10 174.60 2py1 s THR 104 N 1.81 4.59 -0.09 3.92 2.01 -0.79 -3.00 115.64 124.08 2py1 s THR 104 Ca 0.03 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 2py1 s THR 104 Cb -0.13 -2.96 0.04 0.00 0.01 0.00 0.00 72.50 69.47 2py1 s THR 104 CO -0.05 0.60 0.22 -0.70 -0.69 0.00 0.00 174.62 173.99 2py1 s GLU 105 N -0.79 0.17 -0.25 4.92 2.12 -0.96 -2.84 118.70 121.08 2py1 s GLU 105 Ca 0.12 0.49 -0.07 0.00 0.36 0.00 0.00 54.97 55.87 2py1 s GLU 105 Cb -0.12 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.11 2py1 s GLU 105 CO 0.03 -0.17 0.07 -0.51 -0.54 0.00 0.00 175.26 174.14 2py1 s LEU 106 N 1.26 3.45 -0.04 2.70 2.01 -0.09 -2.31 118.68 125.66 2py1 s LEU 106 Ca -0.09 -0.20 -0.02 0.00 0.01 0.00 0.00 54.13 53.84 2py1 s LEU 106 Cb -0.11 -1.92 0.03 0.00 0.01 0.00 0.00 46.19 44.20 2py1 s LEU 106 CO -0.08 -0.03 0.06 0.20 1.01 0.00 0.00 176.35 177.51 2py1 s ASN 107 N 1.57 0.85 0.87 2.29 0.01 -0.86 -4.69 114.94 114.98 2py1 s ASN 107 Ca 0.06 0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 2py1 s ASN 107 Cb -0.15 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.41 2py1 s ASN 107 CO 0.04 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 2py1 n GLY 108 N 5.02 1.06 0.11 0.66 0.00 -1.26 0.54 105.19 111.32 2py1 n GLY 108 Ca -0.09 0.60 0.03 0.00 0.00 0.00 0.00 46.02 46.56 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 7.27 1.41 -4.57 1.61 9.92 -1.26 -5.04 116.55 125.89 2py1 n ASP 109 Ca 0.00 -2.18 -0.31 0.00 -0.53 0.00 0.00 54.79 51.77 2py1 n ASP 109 Cb 0.00 -0.18 -0.10 0.00 -0.64 0.00 0.00 41.12 40.20 2py1 n ASP 109 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2py1 s ILE 110 N -1.27 3.44 -0.11 0.53 1.09 0.19 -2.08 121.20 122.99 2py1 s ILE 110 Ca 0.10 -1.02 0.02 0.00 -1.10 0.00 0.00 60.65 58.65 2py1 s ILE 110 Cb 0.09 -2.54 0.02 0.00 -1.06 0.00 0.00 42.46 38.97 2py1 s ILE 110 CO 0.01 0.27 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.35 2py1 s ILE 111 N -1.08 1.45 -0.31 2.92 1.01 -1.25 -2.02 121.20 121.93 2py1 s ILE 111 Ca 0.19 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 2py1 s ILE 111 Cb -0.11 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.05 2py1 s ILE 111 CO 0.10 0.43 0.08 -0.89 0.00 0.00 0.00 174.94 174.67 2py1 s THR 112 N 1.04 3.84 -0.06 2.92 2.01 -0.98 -3.91 115.64 120.51 2py1 s THR 112 Ca -0.06 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.07 2py1 s THR 112 Cb -0.15 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.31 2py1 s THR 112 CO -0.02 -0.03 -0.11 0.20 -0.69 0.00 0.00 174.62 173.97 2py1 s ASN 113 N 1.45 1.61 0.16 3.53 0.01 -1.26 -2.26 114.94 118.18 2py1 s ASN 113 Ca 0.01 -0.27 0.07 0.00 -0.71 0.00 0.00 52.86 51.96 2py1 s ASN 113 Cb -0.18 -0.75 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 2py1 s ASN 113 CO 0.02 0.02 -0.04 -0.89 -1.51 0.00 0.00 177.10 174.71 2py1 s THR 114 N 0.69 3.58 -0.09 1.60 2.01 -1.16 -3.81 115.64 118.47 2py1 s THR 114 Ca -0.14 -1.41 -0.07 0.00 0.31 0.00 0.00 61.69 60.39 2py1 s THR 114 Cb -0.15 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.62 2py1 s THR 114 CO 0.03 -0.05 0.23 -0.04 -0.69 0.00 0.00 174.62 174.09 2py1 s MET 115 N -2.74 0.23 -0.22 4.92 -1.94 -1.24 -3.61 119.30 114.70 2py1 s MET 115 Ca 0.26 0.38 0.02 0.00 -1.71 0.00 0.00 55.69 54.64 2py1 s MET 115 Cb -0.10 0.03 0.04 0.00 2.01 0.00 0.00 34.83 36.81 2py1 s MET 115 CO 0.17 -0.08 -0.15 -0.08 -0.01 0.00 0.00 175.02 174.87 2py1 s THR 116 N 0.53 2.07 -0.05 2.05 -1.32 -1.25 -2.77 115.64 114.91 2py1 s THR 116 Ca -0.03 -1.25 -0.06 0.00 -1.21 0.00 0.00 61.69 59.14 2py1 s THR 116 Cb -0.05 -2.03 0.01 0.00 -1.51 0.00 0.00 72.50 68.93 2py1 s THR 116 CO -0.03 0.26 0.15 -0.22 -2.21 0.00 0.00 174.62 172.57 2py1 s LEU 117 N 1.22 1.43 -1.61 9.08 0.20 0.07 -4.51 118.68 124.55 2py1 s LEU 117 Ca -0.02 0.22 -0.15 0.00 0.69 0.00 0.00 54.13 54.87 2py1 s LEU 117 Cb -0.16 0.56 0.12 0.00 -0.43 0.00 0.00 46.19 46.27 2py1 s LEU 117 CO -0.09 -0.11 0.82 0.61 -0.29 0.00 0.00 176.35 177.28 2py1 n GLY 118 N 2.70 -0.44 2.44 7.98 0.00 -1.26 0.17 105.19 116.79 2py1 n GLY 118 Ca -0.14 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2py1 n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2py1 n ASP 119 N -2.76 -5.23 -4.05 1.61 8.00 -1.26 -4.94 116.55 107.92 2py1 n ASP 119 Ca 0.02 0.29 -0.31 0.00 0.71 0.00 0.00 54.79 55.50 2py1 n ASP 119 Cb 0.53 -4.53 -0.16 0.00 -0.02 0.00 0.00 41.12 36.93 2py1 n ASP 119 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2py1 s ILE 120 N -2.75 1.76 -0.11 0.53 1.01 0.44 -5.11 121.20 116.96 2py1 s ILE 120 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2py1 s ILE 120 Cb 0.00 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 2py1 s ILE 120 CO 0.00 0.47 -0.17 0.54 0.00 0.00 0.00 174.94 175.78 2py1 s VAL 121 N 1.41 2.75 0.27 2.92 0.11 -1.26 -0.75 120.40 125.85 2py1 s VAL 121 Ca 0.05 -0.78 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 2py1 s VAL 121 Cb -0.13 -2.12 -0.06 0.00 -1.53 0.00 0.00 36.38 32.54 2py1 s VAL 121 CO -0.11 0.54 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.81 2py1 s PHE 122 N 0.24 1.86 0.06 1.54 0.08 -1.11 -5.02 117.98 115.61 2py1 s PHE 122 Ca -0.11 -0.79 0.07 0.00 0.12 0.00 0.00 56.93 56.22 2py1 s PHE 122 Cb -0.16 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 2py1 s PHE 122 CO 0.06 0.16 -0.21 -1.59 -0.10 0.00 0.00 175.22 173.55 2py1 s LYS 123 N -3.78 1.31 -0.01 0.44 -2.85 -1.26 -3.61 119.74 109.97 2py1 s LYS 123 Ca 0.30 -0.99 0.03 0.00 -1.00 0.00 0.00 55.97 54.31 2py1 s LYS 123 Cb 0.05 -1.46 -0.01 0.00 -2.06 0.00 0.00 37.83 34.35 2py1 s LYS 123 CO 0.12 0.37 -0.10 -0.98 0.10 0.00 0.00 175.35 174.85 2py1 s ARG 124 N -1.35 0.85 -0.02 1.78 1.70 -1.25 -3.00 118.95 117.66 2py1 s ARG 124 Ca 0.07 -0.35 0.06 0.00 -0.47 0.00 0.00 55.73 55.05 2py1 s ARG 124 Cb -0.09 -0.82 -0.02 0.00 -0.57 0.00 0.00 34.95 33.45 2py1 s ARG 124 CO 0.02 0.19 -0.21 0.42 -1.08 0.00 0.00 175.30 174.65 2py1 s ILE 125 N -0.13 2.52 0.16 4.99 1.01 -0.79 -4.18 121.20 124.78 2py1 s ILE 125 Ca 0.02 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.71 2py1 s ILE 125 Cb -0.05 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2py1 s ILE 125 CO -0.00 0.55 0.01 -0.44 0.00 0.00 0.00 174.94 175.06 2py1 s SER 126 N -0.77 1.02 -0.08 3.58 0.01 -1.25 -2.36 113.70 113.85 2py1 s SER 126 Ca 0.11 -1.17 -0.13 0.00 1.31 0.00 0.00 55.95 56.08 2py1 s SER 126 Cb -0.10 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.31 2py1 s SER 126 CO 0.00 -0.60 0.32 -0.75 0.41 0.00 0.00 173.24 172.63 2py1 s LYS 127 N -3.94 0.49 -0.61 12.44 2.20 -1.24 -3.79 119.74 125.28 2py1 s LYS 127 Ca 0.23 0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.78 2py1 s LYS 127 Cb 0.06 0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 36.55 2py1 s LYS 127 CO 0.03 -0.10 2.19 0.50 -0.36 0.00 0.00 175.35 177.61 2py1 s ARG 128 N -0.41 2.23 0.00 4.03 3.52 -0.88 -2.30 118.95 125.15 2py1 s ARG 128 Ca -0.05 0.85 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 2py1 s ARG 128 Cb -0.03 -4.60 0.00 0.00 -1.56 0.00 0.00 34.95 28.75 2py1 s ARG 128 CO 0.02 -3.29 0.00 -0.89 -0.81 0.00 0.00 175.30 170.32