#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 -0.08 0.00 1.61 0.15 -1.26 -5.14 113.70 108.98 2py1 s SER 2 Ca 0.00 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2py1 s SER 2 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2py1 s SER 2 CO 0.00 -1.24 0.00 1.15 1.20 0.00 0.00 173.24 174.35 2py1 n MET 3 N -0.56 0.00 -4.08 5.44 -0.00 -1.26 -4.90 117.12 111.76 2py1 n MET 3 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.70 57.53 2py1 n MET 3 Cb 0.60 0.00 -0.07 0.00 -0.00 0.00 0.00 33.22 33.75 2py1 n MET 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2py1 s SER 4 N -3.50 0.21 -0.47 3.17 0.01 -1.26 -5.13 113.70 106.74 2py1 s SER 4 Ca 0.00 -1.20 0.07 0.00 1.31 0.00 0.00 55.95 56.13 2py1 s SER 4 Cb 0.00 0.54 0.18 0.00 0.21 0.00 0.00 66.02 66.95 2py1 s SER 4 CO 0.00 -1.08 0.66 -0.36 0.41 0.00 0.00 173.24 172.87 2py1 s PHE 5 N -3.86 -1.49 -0.45 2.43 0.40 -1.26 -5.06 117.98 108.68 2py1 s PHE 5 Ca 0.29 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 2py1 s PHE 5 Cb 0.02 0.24 0.19 0.00 0.51 0.00 0.00 43.02 43.97 2py1 s PHE 5 CO 0.13 -1.21 0.54 0.43 0.70 0.00 0.00 175.22 175.81 2py1 n SER 6 N 3.54 -1.70 0.00 1.36 7.64 -1.26 -3.86 113.62 119.35 2py1 n SER 6 Ca 0.16 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2py1 n SER 6 Cb 0.56 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 2py1 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2py1 n GLY 7 N 2.63 6.37 3.27 0.23 0.00 -1.25 -4.98 105.19 111.46 2py1 n GLY 7 Ca 0.23 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 2py1 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2py1 s LYS 8 N 1.55 1.82 0.05 1.61 2.20 -1.26 -3.92 119.74 121.79 2py1 s LYS 8 Ca 0.00 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 54.75 2py1 s LYS 8 Cb 0.00 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.48 2py1 s LYS 8 CO 0.00 0.49 -0.09 0.71 -0.36 0.00 0.00 175.35 176.10 2py1 s TYR 9 N -0.61 0.79 -0.02 4.03 2.02 -1.25 -1.84 117.35 120.47 2py1 s TYR 9 Ca 0.09 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2py1 s TYR 9 Cb -0.09 -0.46 0.02 0.00 -0.40 0.00 0.00 41.96 41.03 2py1 s TYR 9 CO -0.00 -0.06 0.03 -0.65 -1.57 0.00 0.00 175.55 173.30 2py1 s GLN 10 N -1.73 -0.02 0.25 -0.62 -0.21 -1.24 -3.87 119.66 112.22 2py1 s GLN 10 Ca -0.07 0.14 -0.29 0.00 0.02 0.00 0.00 55.36 55.15 2py1 s GLN 10 Cb -0.09 -0.17 -0.15 0.00 1.00 0.00 0.00 33.01 33.60 2py1 s GLN 10 CO 0.01 -0.12 1.01 1.47 -2.12 0.00 0.00 175.29 175.54 2py1 n LEU 11 N 3.84 1.46 -0.04 2.90 -0.00 0.28 -4.09 117.00 121.36 2py1 n LEU 11 Ca -0.23 1.16 -0.08 0.00 -0.00 0.00 0.00 56.01 56.87 2py1 n LEU 11 Cb 0.53 -1.24 -0.03 0.00 -0.00 0.00 0.00 43.42 42.68 2py1 n LEU 11 CO 0.23 -1.51 -0.78 0.00 -0.00 0.00 0.00 177.39 175.33 2py1 n GLN 12 N 1.04 0.19 -3.83 1.47 1.13 -0.78 -4.90 117.38 111.69 2py1 n GLN 12 Ca 0.12 0.07 -0.09 0.00 -1.94 0.00 0.00 57.00 55.16 2py1 n GLN 12 Cb 0.29 -0.93 -0.07 0.00 0.11 0.00 0.00 30.24 29.65 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 -5.43 0.08 -0.06 1.08 0.01 -0.98 -5.04 113.70 103.36 2py1 s SER 13 Ca -0.12 -0.60 -0.08 0.00 1.31 0.00 0.00 55.95 56.45 2py1 s SER 13 Cb 0.04 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.64 2py1 s SER 13 CO 0.16 -0.74 0.22 0.00 0.41 0.00 0.00 173.24 173.29 2py1 s GLN 14 N -3.81 0.36 -0.20 12.44 -2.07 -1.26 -3.70 119.66 121.42 2py1 s GLN 14 Ca 0.04 0.10 0.00 0.00 -1.82 0.00 0.00 55.36 53.68 2py1 s GLN 14 Cb 0.04 0.16 0.02 0.00 -1.09 0.00 0.00 33.01 32.15 2py1 s GLN 14 CO -0.11 -0.07 -0.15 -2.00 -1.32 0.00 0.00 175.29 171.64 2py1 s GLU 15 N -0.38 2.95 -1.12 9.60 2.12 -1.26 -4.77 118.70 125.85 2py1 s GLU 15 Ca -0.05 -0.87 -0.26 0.00 0.36 0.00 0.00 54.97 54.15 2py1 s GLU 15 Cb -0.03 -2.71 0.04 0.00 0.26 0.00 0.00 34.13 31.68 2py1 s GLU 15 CO 0.01 -0.27 0.66 0.09 -0.54 0.00 0.00 175.26 175.22 2py1 n ASN 16 N 4.63 -4.32 0.06 -1.70 5.03 -1.26 -4.68 115.26 113.02 2py1 n ASN 16 Ca -0.19 -1.22 -0.21 0.00 0.87 0.00 0.00 54.58 53.82 2py1 n ASN 16 Cb 0.49 -1.66 -0.12 0.00 -1.02 0.00 0.00 39.78 37.47 2py1 n ASN 16 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2py1 h PHE 17 N -2.06 1.04 0.00 3.10 3.57 -1.98 -3.14 116.94 117.47 2py1 h PHE 17 Ca -0.70 -0.61 -0.01 0.00 3.53 0.00 0.00 57.97 60.19 2py1 h PHE 17 Cb 1.41 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 2py1 h PHE 17 CO 0.33 1.44 -0.06 1.05 -2.23 0.00 0.00 178.31 178.85 2py1 h GLU 18 N 0.34 0.00 -0.45 1.11 4.11 -1.96 -2.01 114.58 115.73 2py1 h GLU 18 Ca -0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 2py1 h GLU 18 Cb 1.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 2py1 h GLU 18 CO 0.22 0.06 0.23 0.00 0.07 0.00 0.00 179.01 179.58 2py1 h ALA 19 N 1.94 1.56 0.00 1.06 0.00 -1.91 0.10 119.26 122.01 2py1 h ALA 19 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2py1 h ALA 19 Cb 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2py1 h ALA 19 CO 0.01 0.36 -0.14 0.35 0.00 0.00 0.00 179.25 179.83 2py1 h PHE 20 N 0.62 0.00 0.19 0.00 3.04 -1.48 0.81 116.94 120.12 2py1 h PHE 20 Ca 0.16 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.78 2py1 h PHE 20 Cb 0.05 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.58 2py1 h PHE 20 CO 0.00 0.14 -1.58 0.52 -2.02 0.00 0.00 178.31 175.38 2py1 h MET 21 N 0.00 0.41 0.00 1.11 0.00 -1.13 -3.28 114.93 112.03 2py1 h MET 21 Ca -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 59.70 58.98 2py1 h MET 21 Cb 0.36 0.26 -0.00 0.00 0.00 0.00 0.00 31.60 32.22 2py1 h MET 21 CO 0.02 1.33 -0.09 0.87 0.00 0.00 0.00 176.91 179.05 2py1 h LYS 22 N 0.03 0.00 -0.41 1.72 1.57 -0.93 1.04 116.57 119.60 2py1 h LYS 22 Ca -0.31 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 2py1 h LYS 22 Cb 2.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.34 2py1 h LYS 22 CO 0.19 0.09 0.04 0.00 -0.57 0.00 0.00 179.45 179.19 2py1 h ALA 23 N 1.91 0.55 0.00 3.86 0.00 -0.91 -2.89 119.26 121.78 2py1 h ALA 23 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2py1 h ALA 23 Cb 0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2py1 h ALA 23 CO 0.01 0.29 -0.93 -0.84 0.00 0.00 0.00 179.25 177.79 2py1 h ILE 24 N 0.54 0.26 -0.18 0.00 3.07 -1.56 -3.48 117.51 116.16 2py1 h ILE 24 Ca 0.12 -1.46 0.00 0.00 1.55 0.00 0.00 64.86 65.07 2py1 h ILE 24 Cb 0.42 1.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 2py1 h ILE 24 CO 0.01 0.15 0.00 0.61 -1.05 0.00 0.00 178.15 177.87 2py1 n GLY 25 N 1.24 0.87 3.90 0.16 0.00 0.70 -5.11 105.19 106.96 2py1 n GLY 25 Ca -0.02 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2py1 n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2py1 s LEU 26 N -0.18 4.16 0.89 0.99 2.96 0.33 -4.96 118.68 122.87 2py1 s LEU 26 Ca 0.00 0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 54.45 2py1 s LEU 26 Cb 0.00 -3.44 0.13 0.00 0.50 0.00 0.00 46.19 43.38 2py1 s LEU 26 CO 0.00 -0.09 1.13 -2.16 -1.32 0.00 0.00 176.35 173.91 2py1 s PRO 27 N -3.16 1.30 0.37 0.98 0.04 -1.26 -4.65 135.00 128.63 2py1 s PRO 27 Ca 0.43 0.35 0.20 0.00 0.04 0.00 0.00 61.00 62.02 2py1 s PRO 27 Cb -0.11 -1.85 0.45 0.00 0.04 0.00 0.00 34.50 33.03 2py1 s PRO 27 CO 0.27 -2.10 1.62 1.05 0.04 0.00 0.00 177.00 177.89 2py1 h GLU 28 N -1.43 0.00 -0.15 4.56 4.11 -1.98 -2.49 114.58 117.20 2py1 h GLU 28 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 2py1 h GLU 28 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2py1 h GLU 28 CO 0.62 0.29 0.05 1.49 0.07 0.00 0.00 179.01 181.53 2py1 h GLU 29 N 0.00 0.23 -0.18 1.06 4.81 -1.97 1.19 114.58 119.72 2py1 h GLU 29 Ca -0.00 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 2py1 h GLU 29 Cb 1.06 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 2py1 h GLU 29 CO 0.04 0.33 -0.61 -0.07 -0.73 0.00 0.00 179.01 177.96 2py1 h LEU 30 N 0.07 0.69 -0.44 1.64 3.38 -1.95 0.09 115.31 118.79 2py1 h LEU 30 Ca 0.05 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2py1 h LEU 30 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2py1 h LEU 30 CO -0.00 1.14 -0.08 0.40 0.09 0.00 0.00 178.44 179.98 2py1 h ILE 31 N 0.45 1.27 0.00 1.22 2.04 -1.25 0.33 117.51 121.57 2py1 h ILE 31 Ca -0.01 -1.18 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 2py1 h ILE 31 Cb 1.19 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2py1 h ILE 31 CO 0.12 0.40 -0.38 1.56 0.00 0.00 0.00 178.15 179.85 2py1 h GLN 32 N 0.68 0.00 0.06 2.37 1.08 0.15 -2.58 115.11 116.88 2py1 h GLN 32 Ca 0.12 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2py1 h GLN 32 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2py1 h GLN 32 CO 0.04 0.38 -0.03 0.87 -0.95 0.00 0.00 178.83 179.14 2py1 h LYS 33 N 0.00 -0.08 -1.01 1.46 1.57 -0.57 -3.21 116.57 114.72 2py1 h LYS 33 Ca -0.00 0.01 0.24 0.00 -1.87 0.00 0.00 60.65 59.02 2py1 h LYS 33 Cb 0.85 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.07 2py1 h LYS 33 CO 0.05 0.43 0.62 0.78 -0.57 0.00 0.00 179.45 180.76 2py1 h GLY 34 N -0.94 1.61 1.77 3.86 0.00 -0.35 0.98 103.07 109.99 2py1 h GLY 34 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2py1 h GLY 34 CO 0.01 -0.16 0.10 1.70 0.00 0.00 0.00 176.54 178.20 2py1 h LYS 35 N 0.55 0.31 -0.01 4.80 3.64 -1.53 0.40 116.57 124.73 2py1 h LYS 35 Ca 0.61 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 2py1 h LYS 35 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2py1 h LYS 35 CO -0.38 0.25 -0.02 -3.47 -2.27 0.00 0.00 179.45 173.55 2py1 n ASP 36 N -4.46 0.69 -4.34 4.20 2.03 0.33 -4.67 116.55 110.33 2py1 n ASP 36 Ca 0.00 -1.13 -0.37 0.00 0.52 0.00 0.00 54.79 53.81 2py1 n ASP 36 Cb 0.11 -0.01 -0.13 0.00 -0.72 0.00 0.00 41.12 40.37 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 -2.08 3.96 -0.42 5.18 1.01 0.14 -5.06 121.20 123.93 2py1 s ILE 37 Ca 0.41 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 2py1 s ILE 37 Cb 0.21 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.64 2py1 s ILE 37 CO 0.37 0.06 1.23 -1.59 0.00 0.00 0.00 174.94 175.01 2py1 s LYS 38 N 1.49 3.73 -0.88 2.79 -2.85 -1.26 -4.88 119.74 117.88 2py1 s LYS 38 Ca 0.02 0.80 -0.34 0.00 -1.00 0.00 0.00 55.97 55.45 2py1 s LYS 38 Cb -0.17 -3.92 -0.21 0.00 -2.06 0.00 0.00 37.83 31.46 2py1 s LYS 38 CO 0.02 -1.36 2.57 0.41 0.10 0.00 0.00 175.35 177.09 2py1 n GLY 39 N 4.77 -0.41 3.13 0.59 0.00 -1.26 -4.81 105.19 107.20 2py1 n GLY 39 Ca 0.14 1.15 -0.29 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 8.36 1.66 -0.27 1.61 1.01 -1.26 -0.56 120.40 130.96 2py1 s VAL 40 Ca 1.32 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.28 2py1 s VAL 40 Cb -1.30 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 33.68 2py1 s VAL 40 CO 0.53 0.47 0.71 -0.55 0.00 0.00 0.00 175.10 176.26 2py1 s SER 41 N 0.57 -0.76 0.07 3.32 0.15 -1.25 -4.52 113.70 111.29 2py1 s SER 41 Ca -0.15 1.44 0.06 0.00 0.70 0.00 0.00 55.95 58.01 2py1 s SER 41 Cb -0.17 1.45 -0.04 0.00 -1.71 0.00 0.00 66.02 65.56 2py1 s SER 41 CO 0.05 -0.25 -0.11 -1.61 1.20 0.00 0.00 173.24 172.52 2py1 s GLU 42 N 0.48 2.20 -0.24 5.44 2.02 -1.26 -3.78 118.70 123.56 2py1 s GLU 42 Ca -0.01 -0.96 -0.10 0.00 0.02 0.00 0.00 54.97 53.92 2py1 s GLU 42 Cb -0.05 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.81 2py1 s GLU 42 CO -0.01 0.53 0.16 0.42 0.02 0.00 0.00 175.26 176.38 2py1 s ILE 43 N -1.12 5.32 -0.23 -1.63 -1.09 -1.25 -4.27 121.20 116.92 2py1 s ILE 43 Ca 0.19 0.17 -0.06 0.00 -2.23 0.00 0.00 60.65 58.72 2py1 s ILE 43 Cb -0.11 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 2py1 s ILE 43 CO 0.11 0.34 0.02 -0.69 -1.23 0.00 0.00 174.94 173.49 2py1 s VAL 44 N 1.08 3.93 -0.18 2.92 1.01 0.18 -3.97 120.40 125.37 2py1 s VAL 44 Ca 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2py1 s VAL 44 Cb -0.14 -2.81 0.05 0.00 0.00 0.00 0.00 36.38 33.49 2py1 s VAL 44 CO 0.05 0.38 0.01 -1.58 0.00 0.00 0.00 175.10 173.96 2py1 s GLN 45 N 1.45 0.82 -0.30 2.72 0.74 -1.25 0.19 119.66 124.02 2py1 s GLN 45 Ca 0.05 -0.41 -0.08 0.00 0.05 0.00 0.00 55.36 54.97 2py1 s GLN 45 Cb -0.15 -1.99 0.16 0.00 1.10 0.00 0.00 33.01 32.14 2py1 s GLN 45 CO 0.01 -0.57 0.73 1.21 -0.55 0.00 0.00 175.29 176.12 2py1 s ASN 46 N 1.81 -1.07 0.00 6.67 2.47 -1.08 -4.74 114.94 119.01 2py1 s ASN 46 Ca -0.00 1.10 0.00 0.00 0.42 0.00 0.00 52.86 54.37 2py1 s ASN 46 Cb -0.16 2.07 0.00 0.00 -1.45 0.00 0.00 41.25 41.70 2py1 s ASN 46 CO -0.07 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 173.71 2py1 n GLY 47 N 5.37 0.95 5.00 1.21 0.00 -1.26 -4.12 105.19 112.34 2py1 n GLY 47 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.44 0.00 -2.27 1.61 4.76 -1.26 -4.87 118.16 115.69 2py1 n LYS 48 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2py1 n LYS 48 Cb 0.41 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.57 2py1 n LYS 48 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2py1 s HIS 49 N 0.00 3.31 0.13 2.13 -3.43 -1.26 -4.45 115.29 111.72 2py1 s HIS 49 Ca 0.00 1.37 0.05 0.00 -0.80 0.00 0.00 55.06 55.68 2py1 s HIS 49 Cb 0.00 -3.53 -0.04 0.00 -1.43 0.00 0.00 32.58 27.58 2py1 s HIS 49 CO 0.00 -1.53 0.08 -0.59 -2.00 0.00 0.00 174.74 170.70 2py1 s PHE 50 N -0.32 3.08 0.05 0.38 -0.12 0.44 -2.62 117.98 118.87 2py1 s PHE 50 Ca 0.53 -0.01 0.06 0.00 -0.05 0.00 0.00 56.93 57.45 2py1 s PHE 50 Cb -0.35 -1.52 -0.03 0.00 -0.63 0.00 0.00 43.02 40.48 2py1 s PHE 50 CO 0.41 0.51 -0.12 0.21 -0.05 0.00 0.00 175.22 176.18 2py1 s LYS 51 N -2.76 2.22 0.15 1.99 2.20 0.50 0.13 119.74 124.17 2py1 s LYS 51 Ca 0.29 -0.92 0.05 0.00 -0.36 0.00 0.00 55.97 55.03 2py1 s LYS 51 Cb -0.11 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 2py1 s LYS 51 CO 0.21 0.55 -0.11 0.12 -0.36 0.00 0.00 175.35 175.76 2py1 s PHE 52 N -1.03 1.35 0.02 4.03 2.19 -1.15 -0.65 117.98 122.73 2py1 s PHE 52 Ca 0.17 -0.69 0.04 0.00 0.33 0.00 0.00 56.93 56.78 2py1 s PHE 52 Cb -0.11 -0.68 -0.01 0.00 -1.31 0.00 0.00 43.02 40.91 2py1 s PHE 52 CO 0.08 0.13 -0.11 0.99 1.83 0.00 0.00 175.22 178.15 2py1 s THR 53 N -3.00 0.86 -0.13 0.12 2.01 -1.26 -4.09 115.64 110.15 2py1 s THR 53 Ca 0.15 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 2py1 s THR 53 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 2py1 s THR 53 CO 0.02 0.07 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.37 2py1 s ILE 54 N -0.59 4.13 -0.27 1.82 1.01 -1.26 -4.73 121.20 121.32 2py1 s ILE 54 Ca 0.01 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.46 2py1 s ILE 54 Cb -0.06 -2.78 0.45 0.00 0.01 0.00 0.00 42.46 40.07 2py1 s ILE 54 CO 0.00 0.53 1.26 0.41 0.00 0.00 0.00 174.94 177.14 2py1 n THR 55 N 2.97 2.43 -3.73 2.92 -1.04 -1.25 -3.83 114.28 112.76 2py1 n THR 55 Ca -0.18 -3.64 -0.22 0.00 -2.04 0.00 0.00 64.05 57.98 2py1 n THR 55 Cb 0.53 -0.69 -0.02 0.00 -1.82 0.00 0.00 70.33 68.34 2py1 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2py1 s ALA 56 N -3.42 3.83 -0.61 2.41 0.00 -1.23 -4.26 121.76 118.48 2py1 s ALA 56 Ca 0.45 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2py1 s ALA 56 Cb 0.40 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2py1 s ALA 56 CO -0.01 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.29 2py1 n GLY 57 N -1.56 -0.28 2.98 0.00 0.00 -1.26 0.81 105.19 105.88 2py1 n GLY 57 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.31 -4.28 -4.21 1.61 2.88 -1.26 -4.94 113.62 102.11 2py1 n SER 58 Ca -0.08 -0.17 -0.24 0.00 -1.33 0.00 0.00 58.87 57.05 2py1 n SER 58 Cb 0.50 -3.55 -0.14 0.00 -0.75 0.00 0.00 64.21 60.27 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 -5.62 1.28 0.10 -1.46 -2.85 0.24 -5.12 119.74 106.32 2py1 s LYS 59 Ca 0.24 -0.85 0.08 0.00 -1.00 0.00 0.00 55.97 54.44 2py1 s LYS 59 Cb -0.12 -1.35 -0.04 0.00 -2.06 0.00 0.00 37.83 34.26 2py1 s LYS 59 CO 0.30 0.34 -0.14 0.08 0.10 0.00 0.00 175.35 176.04 2py1 s VAL 60 N -0.76 3.12 -0.02 1.79 1.01 -1.25 -3.50 120.40 120.80 2py1 s VAL 60 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2py1 s VAL 60 Cb -0.08 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2py1 s VAL 60 CO 0.01 0.13 0.01 -0.63 0.00 0.00 0.00 175.10 174.62 2py1 s ILE 61 N -1.16 0.10 -0.28 2.22 1.01 -1.26 -4.96 121.20 116.86 2py1 s ILE 61 Ca 0.19 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 2py1 s ILE 61 Cb -0.11 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 2py1 s ILE 61 CO 0.12 0.11 0.13 0.00 0.00 0.00 0.00 174.94 175.29 2py1 s GLN 62 N 0.82 3.60 -0.09 2.79 -2.07 -1.26 -4.10 119.66 119.35 2py1 s GLN 62 Ca -0.08 -0.53 -0.24 0.00 -1.82 0.00 0.00 55.36 52.69 2py1 s GLN 62 Cb -0.11 -3.49 0.06 0.00 -1.09 0.00 0.00 33.01 28.37 2py1 s GLN 62 CO -0.02 -0.27 0.57 -0.80 -1.32 0.00 0.00 175.29 173.45 2py1 s ASN 63 N 1.65 -0.54 0.05 12.60 0.01 -1.26 -5.11 114.94 122.34 2py1 s ASN 63 Ca 0.06 0.72 0.05 0.00 -0.71 0.00 0.00 52.86 52.98 2py1 s ASN 63 Cb -0.16 0.69 -0.04 0.00 0.41 0.00 0.00 41.25 42.15 2py1 s ASN 63 CO 0.06 -0.45 -0.08 -1.83 -1.51 0.00 0.00 177.10 173.29 2py1 s GLU 64 N -0.77 2.36 -0.02 -0.60 1.03 -1.26 -2.93 118.70 116.50 2py1 s GLU 64 Ca -0.08 -0.87 0.05 0.00 0.03 0.00 0.00 54.97 54.10 2py1 s GLU 64 Cb -0.02 -2.41 -0.01 0.00 -0.80 0.00 0.00 34.13 30.88 2py1 s GLU 64 CO 0.06 0.55 -0.16 0.12 -1.33 0.00 0.00 175.26 174.50 2py1 s PHE 65 N -1.11 1.51 -0.03 4.83 2.19 0.35 -4.97 117.98 120.74 2py1 s PHE 65 Ca 0.20 -0.32 -0.02 0.00 0.33 0.00 0.00 56.93 57.12 2py1 s PHE 65 Cb -0.11 -0.98 -0.04 0.00 -1.31 0.00 0.00 43.02 40.58 2py1 s PHE 65 CO 0.11 -0.05 0.08 0.99 1.83 0.00 0.00 175.22 178.18 2py1 s THR 66 N -0.29 4.79 0.33 0.12 2.01 -1.26 0.17 115.64 121.50 2py1 s THR 66 Ca 0.04 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.77 2py1 s THR 66 Cb -0.07 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 2py1 s THR 66 CO -0.00 0.42 0.51 -0.69 -0.69 0.00 0.00 174.62 174.17 2py1 s VAL 67 N -1.13 4.88 0.00 3.82 1.01 -1.26 -4.31 120.40 123.41 2py1 s VAL 67 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2py1 s VAL 67 Cb -0.12 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2py1 s VAL 67 CO 0.11 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.40 2py1 n GLY 68 N -1.71 2.50 3.40 4.51 0.00 -1.14 -4.95 105.19 107.80 2py1 n GLY 68 Ca -0.05 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 1.48 0.17 1.61 -1.05 -1.26 -4.93 118.70 114.72 2py1 s GLU 69 Ca 0.00 -1.68 -0.30 0.00 -0.15 0.00 0.00 54.97 52.84 2py1 s GLU 69 Cb 0.00 -1.33 -0.07 0.00 -0.44 0.00 0.00 34.13 32.29 2py1 s GLU 69 CO 0.00 0.20 0.98 -2.00 0.95 0.00 0.00 175.26 175.39 2py1 s GLU 70 N -3.62 4.74 0.31 -4.83 2.12 -1.26 -4.33 118.70 111.84 2py1 s GLU 70 Ca 0.26 1.51 0.06 0.00 0.36 0.00 0.00 54.97 57.16 2py1 s GLU 70 Cb -0.01 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 2py1 s GLU 70 CO 0.10 0.31 -0.03 0.00 -0.54 0.00 0.00 175.26 175.11 2py1 s GLU 72 N -3.75 4.05 -0.03 0.00 -1.05 -1.26 -1.66 118.70 115.00 2py1 s GLU 72 Ca 0.32 -0.15 0.04 0.00 -0.15 0.00 0.00 54.97 55.03 2py1 s GLU 72 Cb 0.06 -3.59 -0.01 0.00 -0.44 0.00 0.00 34.13 30.16 2py1 s GLU 72 CO 0.14 -0.06 -0.15 -0.51 0.95 0.00 0.00 175.26 175.62 2py1 s LEU 73 N 1.42 1.93 -0.17 1.83 1.43 -0.30 -5.00 118.68 119.82 2py1 s LEU 73 Ca 0.11 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 2py1 s LEU 73 Cb -0.15 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2py1 s LEU 73 CO 0.07 0.15 1.32 -1.61 0.23 0.00 0.00 176.35 176.52 2py1 s GLU 74 N -0.09 4.18 0.16 1.70 2.02 -1.26 -1.91 118.70 123.51 2py1 s GLU 74 Ca -0.00 1.68 0.13 0.00 0.02 0.00 0.00 54.97 56.80 2py1 s GLU 74 Cb -0.09 -3.81 0.66 0.00 0.10 0.00 0.00 34.13 30.99 2py1 s GLU 74 CO 0.01 -0.78 1.41 2.41 0.02 0.00 0.00 175.26 178.33 2py1 n THR 75 N 5.51 1.34 -0.50 3.63 -1.04 -0.85 -4.79 114.28 117.58 2py1 n THR 75 Ca 0.15 0.52 0.00 0.00 -2.04 0.00 0.00 64.05 62.68 2py1 n THR 75 Cb 0.45 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 2py1 n THR 75 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2py1 n MET 76 N -1.89 0.00 -0.06 -2.82 1.56 -1.26 -4.81 117.12 107.84 2py1 n MET 76 Ca 0.00 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.55 2py1 n MET 76 Cb 0.07 -1.94 0.20 0.00 2.15 0.00 0.00 33.22 33.70 2py1 n MET 76 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 2py1 n THR 77 N -2.00 0.16 0.00 1.12 5.66 -1.26 -4.94 114.28 113.02 2py1 n THR 77 Ca 0.00 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 2py1 n THR 77 Cb 0.00 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 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 1.36 2.67 3.90 1.09 0.00 -1.26 -5.07 105.19 107.89 2py1 n GLY 78 Ca 0.16 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 3.38 -0.10 1.61 0.41 -1.26 -4.95 118.70 117.79 2py1 s GLU 79 Ca 0.00 0.26 0.04 0.00 -0.41 0.00 0.00 54.97 54.86 2py1 s GLU 79 Cb 0.00 -2.28 -0.00 0.00 -1.78 0.00 0.00 34.13 30.07 2py1 s GLU 79 CO 0.00 -0.42 -0.23 -1.59 -0.49 0.00 0.00 175.26 172.53 2py1 s LYS 80 N -4.91 3.08 0.09 1.61 -2.85 -1.26 -2.02 119.74 113.49 2py1 s LYS 80 Ca 0.51 -0.86 0.10 0.00 -1.00 0.00 0.00 55.97 54.72 2py1 s LYS 80 Cb -0.10 -2.33 -0.03 0.00 -2.06 0.00 0.00 37.83 33.30 2py1 s LYS 80 CO 0.47 0.18 -0.26 0.14 0.10 0.00 0.00 175.35 175.99 2py1 s VAL 81 N 0.34 2.13 -0.39 1.79 -7.23 -0.80 -4.95 120.40 111.29 2py1 s VAL 81 Ca -0.18 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 58.26 2py1 s VAL 81 Cb -0.18 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 34.91 2py1 s VAL 81 CO 0.09 0.17 0.28 -0.54 -0.31 0.00 0.00 175.10 174.79 2py1 s LYS 82 N -1.73 3.03 0.17 4.82 3.01 -1.26 -1.16 119.74 126.62 2py1 s LYS 82 Ca 0.12 -0.97 0.05 0.00 -1.01 0.00 0.00 55.97 54.16 2py1 s LYS 82 Cb -0.10 -3.92 -0.04 0.00 -1.01 0.00 0.00 37.83 32.77 2py1 s LYS 82 CO 0.04 -0.70 0.13 -0.08 0.51 0.00 0.00 175.35 175.26 2py1 s THR 83 N 1.67 4.45 0.04 2.17 -1.32 -0.67 -4.80 115.64 117.18 2py1 s THR 83 Ca 0.05 -1.11 0.06 0.00 -1.21 0.00 0.00 61.69 59.48 2py1 s THR 83 Cb -0.19 -3.28 -0.03 0.00 -1.51 0.00 0.00 72.50 67.49 2py1 s THR 83 CO 0.10 -0.12 -0.15 0.54 -2.21 0.00 0.00 174.62 172.77 2py1 s VAL 84 N -1.77 2.99 -0.20 5.08 0.11 -1.25 -1.68 120.40 123.68 2py1 s VAL 84 Ca 0.31 -1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 2py1 s VAL 84 Cb -0.10 -2.28 -0.01 0.00 -1.53 0.00 0.00 36.38 32.46 2py1 s VAL 84 CO 0.23 0.32 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.55 2py1 s VAL 85 N -0.97 3.18 0.26 2.04 1.01 -1.26 -3.05 120.40 121.60 2py1 s VAL 85 Ca 0.16 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.66 2py1 s VAL 85 Cb -0.11 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2py1 s VAL 85 CO 0.07 0.46 -0.04 -1.58 0.00 0.00 0.00 175.10 174.01 2py1 s GLN 86 N 1.19 2.20 -0.04 2.72 0.74 0.58 -2.90 119.66 124.16 2py1 s GLN 86 Ca 0.02 -1.44 0.07 0.00 0.05 0.00 0.00 55.36 54.06 2py1 s GLN 86 Cb -0.14 -2.12 -0.01 0.00 1.10 0.00 0.00 33.01 31.83 2py1 s GLN 86 CO -0.02 0.37 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.33 2py1 s LEU 87 N -3.56 2.05 0.04 3.68 1.43 -1.26 0.14 118.68 121.20 2py1 s LEU 87 Ca 0.31 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2py1 s LEU 87 Cb -0.07 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2py1 s LEU 87 CO 0.19 0.27 -0.11 -0.70 0.23 0.00 0.00 176.35 176.23 2py1 s GLU 88 N -0.33 0.73 7.52 1.70 2.12 0.17 -4.91 118.70 125.70 2py1 s GLU 88 Ca 0.02 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.66 2py1 s GLU 88 Cb -0.12 -0.67 0.00 0.00 0.26 0.00 0.00 34.13 33.60 2py1 s GLU 88 CO 0.02 0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.31 2py1 n GLY 89 N 1.89 3.04 0.72 -1.50 0.00 -1.26 -1.94 105.19 106.15 2py1 n GLY 89 Ca -0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 9.52 0.04 0.00 1.61 9.92 -1.26 -4.91 116.55 131.47 2py1 n ASP 90 Ca 0.00 -1.69 0.00 0.00 -0.53 0.00 0.00 54.79 52.57 2py1 n ASP 90 Cb 0.00 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 2py1 n ASP 90 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2py1 n ASN 91 N 0.08 0.00 -3.76 -2.24 2.85 -1.21 -5.14 115.26 105.84 2py1 n ASN 91 Ca -0.02 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.32 2py1 n ASN 91 Cb 0.71 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.59 2py1 n ASN 91 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2py1 s LYS 92 N 0.00 0.15 -0.11 1.20 1.02 -0.82 -2.85 119.74 118.33 2py1 s LYS 92 Ca 0.00 0.38 0.02 0.00 0.02 0.00 0.00 55.97 56.38 2py1 s LYS 92 Cb 0.00 -0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 2py1 s LYS 92 CO 0.00 -0.13 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.63 2py1 s LEU 93 N 0.91 2.53 -0.20 3.17 1.02 -1.03 0.42 118.68 125.50 2py1 s LEU 93 Ca -0.07 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.72 2py1 s LEU 93 Cb -0.08 -1.54 0.03 0.00 0.02 0.00 0.00 46.19 44.62 2py1 s LEU 93 CO -0.05 0.19 -0.16 -0.69 0.02 0.00 0.00 176.35 175.66 2py1 s VAL 94 N 0.21 1.97 0.04 -1.59 1.01 0.38 -0.82 120.40 121.59 2py1 s VAL 94 Ca -0.10 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.83 2py1 s VAL 94 Cb -0.16 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2py1 s VAL 94 CO 0.06 0.34 -0.09 0.28 0.00 0.00 0.00 175.10 175.69 2py1 s THR 95 N 1.28 0.71 0.27 3.92 -1.32 -1.25 0.21 115.64 119.46 2py1 s THR 95 Ca 0.01 -0.94 0.11 0.00 -1.21 0.00 0.00 61.69 59.66 2py1 s THR 95 Cb -0.15 -0.70 -0.05 0.00 -1.51 0.00 0.00 72.50 70.09 2py1 s THR 95 CO -0.10 -0.19 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.04 2py1 s THR 96 N -1.03 2.32 -0.07 5.08 2.01 -1.17 -3.38 115.64 119.39 2py1 s THR 96 Ca -0.04 -2.36 -0.03 0.00 0.31 0.00 0.00 61.69 59.57 2py1 s THR 96 Cb -0.08 -2.27 0.04 0.00 0.01 0.00 0.00 72.50 70.20 2py1 s THR 96 CO 0.01 -0.43 0.14 -0.36 -0.69 0.00 0.00 174.62 173.29 2py1 s PHE 97 N -2.61 -0.13 0.00 4.92 0.40 -0.88 -3.90 117.98 115.77 2py1 s PHE 97 Ca 0.29 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 2py1 s PHE 97 Cb -0.04 -0.28 0.00 0.00 0.51 0.00 0.00 43.02 43.21 2py1 s PHE 97 CO 0.13 -0.24 0.00 0.36 0.70 0.00 0.00 175.22 176.17 2py1 n LYS 98 N 5.20 0.00 -0.44 0.44 2.85 -1.26 0.19 118.16 125.13 2py1 n LYS 98 Ca -0.07 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.23 2py1 n LYS 98 Cb 0.50 0.00 0.21 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 1.25 3.33 -4.72 -5.58 4.13 -1.26 -4.84 115.26 107.57 2py1 n ASN 99 Ca 0.00 -2.42 -0.35 0.00 1.68 0.00 0.00 54.58 53.49 2py1 n ASN 99 Cb 0.00 -0.55 -0.09 0.00 -1.54 0.00 0.00 39.78 37.61 2py1 n ASN 99 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2py1 s ILE 100 N -1.87 4.89 -0.29 2.41 1.01 0.50 -4.93 121.20 122.91 2py1 s ILE 100 Ca 0.29 -0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.78 2py1 s ILE 100 Cb 0.21 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2py1 s ILE 100 CO 0.10 0.54 0.36 -0.75 0.00 0.00 0.00 174.94 175.20 2py1 s LYS 101 N -0.35 3.89 0.05 2.79 2.20 -1.26 -2.08 119.74 124.98 2py1 s LYS 101 Ca 0.09 -0.10 0.09 0.00 -0.36 0.00 0.00 55.97 55.69 2py1 s LYS 101 Cb -0.12 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 2py1 s LYS 101 CO 0.02 -0.34 -0.26 -1.54 -0.36 0.00 0.00 175.35 172.87 2py1 s SER 102 N 1.68 3.24 -0.12 1.43 1.04 -1.22 -3.91 113.70 115.85 2py1 s SER 102 Ca 0.14 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 2py1 s SER 102 Cb -0.16 -0.31 0.06 0.00 0.10 0.00 0.00 66.02 65.70 2py1 s SER 102 CO 0.11 0.25 0.24 -0.69 0.98 0.00 0.00 173.24 174.13 2py1 s VAL 103 N -0.83 -0.34 -0.08 5.02 1.01 -1.25 -3.91 120.40 120.01 2py1 s VAL 103 Ca 0.12 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2py1 s VAL 103 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2py1 s VAL 103 CO 0.03 0.12 -0.05 -0.89 0.00 0.00 0.00 175.10 174.30 2py1 s THR 104 N 2.26 3.82 -0.08 3.92 2.01 -0.00 -3.10 115.64 124.47 2py1 s THR 104 Ca 0.00 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 2py1 s THR 104 Cb -0.12 -2.58 0.03 0.00 0.01 0.00 0.00 72.50 69.84 2py1 s THR 104 CO -0.08 0.59 0.21 -0.70 -0.69 0.00 0.00 174.62 173.95 2py1 s GLU 105 N -0.72 0.21 -0.24 4.92 2.12 -1.25 -2.47 118.70 121.27 2py1 s GLU 105 Ca 0.11 0.37 -0.09 0.00 0.36 0.00 0.00 54.97 55.72 2py1 s GLU 105 Cb -0.11 0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 2py1 s GLU 105 CO 0.02 -0.08 0.11 -0.51 -0.54 0.00 0.00 175.26 174.26 2py1 s LEU 106 N 0.56 3.75 -0.08 2.70 2.01 -1.13 -3.68 118.68 122.81 2py1 s LEU 106 Ca -0.04 -0.06 -0.03 0.00 0.01 0.00 0.00 54.13 54.02 2py1 s LEU 106 Cb -0.05 -2.01 0.04 0.00 0.01 0.00 0.00 46.19 44.18 2py1 s LEU 106 CO -0.03 0.02 0.06 0.21 1.01 0.00 0.00 176.35 177.62 2py1 s ASN 107 N 1.33 1.58 1.53 2.29 2.47 -1.14 -4.86 114.94 118.14 2py1 s ASN 107 Ca 0.06 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.19 2py1 s ASN 107 Cb -0.15 -0.22 0.00 0.00 -1.45 0.00 0.00 41.25 39.43 2py1 s ASN 107 CO 0.05 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.77 2py1 n GLY 108 N 5.26 3.32 1.29 1.21 0.00 -1.26 -1.28 105.19 113.73 2py1 n GLY 108 Ca -0.05 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.93 2py1 n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2py1 n ASP 109 N 3.65 4.20 -4.60 1.61 5.75 -1.26 -4.94 116.55 120.95 2py1 n ASP 109 Ca 0.00 -2.35 -0.26 0.00 -0.01 0.00 0.00 54.79 52.16 2py1 n ASP 109 Cb 0.00 -0.49 -0.09 0.00 -1.03 0.00 0.00 41.12 39.51 2py1 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2py1 s ILE 110 N -1.66 3.36 -0.11 2.12 1.01 -0.41 0.56 121.20 126.07 2py1 s ILE 110 Ca 0.45 -1.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 2py1 s ILE 110 Cb 0.28 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 40.09 2py1 s ILE 110 CO 0.23 -0.15 0.01 -0.63 0.00 0.00 0.00 174.94 174.39 2py1 s ILE 111 N -1.81 0.45 -0.09 2.92 1.01 0.10 -2.89 121.20 120.89 2py1 s ILE 111 Ca 0.26 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 2py1 s ILE 111 Cb -0.09 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2py1 s ILE 111 CO 0.17 0.14 0.12 -0.89 0.00 0.00 0.00 174.94 174.47 2py1 s THR 112 N 1.93 5.24 -0.07 2.92 2.01 -1.24 -3.37 115.64 123.05 2py1 s THR 112 Ca 0.03 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2py1 s THR 112 Cb -0.14 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.09 2py1 s THR 112 CO -0.06 0.57 -0.14 0.21 -0.69 0.00 0.00 174.62 174.50 2py1 s ASN 113 N -1.15 2.02 -0.21 3.53 3.84 -1.21 -3.80 114.94 117.97 2py1 s ASN 113 Ca 0.16 -0.35 -0.09 0.00 0.21 0.00 0.00 52.86 52.79 2py1 s ASN 113 Cb -0.12 -0.93 -0.05 0.00 -0.55 0.00 0.00 41.25 39.60 2py1 s ASN 113 CO 0.06 0.05 0.12 0.42 -2.79 0.00 0.00 177.10 174.96 2py1 s THR 114 N 0.64 5.17 -0.08 -5.21 -4.23 -1.18 -2.65 115.64 108.10 2py1 s THR 114 Ca -0.15 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 2py1 s THR 114 Cb -0.16 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.33 2py1 s THR 114 CO 0.04 0.40 -0.07 -0.04 -0.54 0.00 0.00 174.62 174.42 2py1 s MET 115 N 0.70 1.26 -0.10 3.99 -1.94 -1.10 -3.84 119.30 118.25 2py1 s MET 115 Ca 0.06 -0.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.86 2py1 s MET 115 Cb -0.13 -1.25 0.01 0.00 2.01 0.00 0.00 34.83 35.48 2py1 s MET 115 CO 0.01 -0.14 -0.16 -0.08 -0.01 0.00 0.00 175.02 174.64 2py1 s THR 116 N 1.24 1.56 -0.32 2.05 -1.32 -1.25 0.39 115.64 118.00 2py1 s THR 116 Ca -0.05 -0.69 0.02 0.00 -1.21 0.00 0.00 61.69 59.75 2py1 s THR 116 Cb -0.14 -1.41 0.10 0.00 -1.51 0.00 0.00 72.50 69.54 2py1 s THR 116 CO -0.02 0.45 0.06 -0.22 -2.21 0.00 0.00 174.62 172.68 2py1 s LEU 117 N 0.84 3.55 0.00 9.08 2.96 0.39 -4.34 118.68 131.16 2py1 s LEU 117 Ca -0.09 -1.86 0.00 0.00 -0.22 0.00 0.00 54.13 51.96 2py1 s LEU 117 Cb -0.15 -1.28 0.00 0.00 0.50 0.00 0.00 46.19 45.25 2py1 s LEU 117 CO 0.01 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 2py1 n GLY 118 N 4.53 0.58 0.51 7.98 0.00 -1.26 0.15 105.19 117.68 2py1 n GLY 118 Ca 0.00 0.62 0.01 0.00 0.00 0.00 0.00 46.02 46.64 2py1 n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2py1 n ASP 119 N 1.53 0.14 -4.16 1.61 5.75 -1.26 -5.04 116.55 115.12 2py1 n ASP 119 Ca 0.00 -2.05 -0.33 0.00 -0.01 0.00 0.00 54.79 52.39 2py1 n ASP 119 Cb 0.00 -0.21 -0.15 0.00 -1.03 0.00 0.00 41.12 39.72 2py1 n ASP 119 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2py1 s ILE 120 N -0.14 2.38 -0.15 2.12 1.01 0.12 -5.10 121.20 121.44 2py1 s ILE 120 Ca 0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2py1 s ILE 120 Cb 0.02 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2py1 s ILE 120 CO -0.00 0.48 -0.12 0.54 0.00 0.00 0.00 174.94 175.83 2py1 s VAL 121 N 1.33 3.00 0.37 2.92 0.11 -1.26 0.15 120.40 127.02 2py1 s VAL 121 Ca 0.04 -0.66 0.08 0.00 -2.93 0.00 0.00 61.98 58.52 2py1 s VAL 121 Cb -0.14 -2.28 -0.06 0.00 -1.53 0.00 0.00 36.38 32.37 2py1 s VAL 121 CO -0.10 0.51 -0.00 -0.36 -3.33 0.00 0.00 175.10 171.81 2py1 s PHE 122 N 0.64 2.50 0.10 1.54 0.08 0.16 -5.00 117.98 118.00 2py1 s PHE 122 Ca -0.07 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.47 2py1 s PHE 122 Cb -0.15 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2py1 s PHE 122 CO 0.03 0.47 -0.08 0.21 -0.10 0.00 0.00 175.22 175.74 2py1 s LYS 123 N -3.70 0.82 -0.01 0.44 2.20 -1.26 -2.71 119.74 115.51 2py1 s LYS 123 Ca 0.35 -1.23 0.02 0.00 -0.36 0.00 0.00 55.97 54.74 2py1 s LYS 123 Cb 0.04 -0.34 -0.00 0.00 -1.51 0.00 0.00 37.83 36.02 2py1 s LYS 123 CO 0.18 0.02 -0.05 0.50 -0.36 0.00 0.00 175.35 175.64 2py1 s ARG 124 N -3.29 0.49 -0.08 4.03 3.52 -1.09 -4.10 118.95 118.43 2py1 s ARG 124 Ca 0.08 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 2py1 s ARG 124 Cb 0.01 -0.48 0.02 0.00 -1.56 0.00 0.00 34.95 32.94 2py1 s ARG 124 CO -0.02 0.10 -0.07 0.42 -0.81 0.00 0.00 175.30 174.92 2py1 s ILE 125 N -0.02 0.83 -0.19 4.11 1.09 -1.24 -3.32 121.20 122.46 2py1 s ILE 125 Ca 0.01 -0.23 -0.09 0.00 -1.10 0.00 0.00 60.65 59.23 2py1 s ILE 125 Cb -0.04 -0.85 0.07 0.00 -1.06 0.00 0.00 42.46 40.59 2py1 s ILE 125 CO -0.00 0.31 0.45 -0.44 -0.10 0.00 0.00 174.94 175.16 2py1 s SER 126 N 1.29 -0.52 0.40 3.58 0.01 -1.22 -1.87 113.70 115.38 2py1 s SER 126 Ca -0.04 1.02 0.07 0.00 1.31 0.00 0.00 55.95 58.31 2py1 s SER 126 Cb -0.14 1.05 0.01 0.00 0.21 0.00 0.00 66.02 67.15 2py1 s SER 126 CO -0.03 -0.21 0.55 -1.59 0.41 0.00 0.00 173.24 172.38 2py1 s LYS 127 N 1.80 2.90 0.19 12.44 -2.85 -1.26 -0.72 119.74 132.25 2py1 s LYS 127 Ca -0.07 -1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 2py1 s LYS 127 Cb -0.09 -2.76 -0.09 0.00 -2.06 0.00 0.00 37.83 32.83 2py1 s LYS 127 CO -0.14 -0.20 1.36 0.50 0.10 0.00 0.00 175.35 176.98 2py1 s ARG 128 N -4.32 4.34 0.00 1.78 3.52 0.19 -3.73 118.95 120.72 2py1 s ARG 128 Ca 0.52 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 2py1 s ARG 128 Cb -0.10 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2py1 s ARG 128 CO 0.33 -0.34 0.00 -0.89 -0.81 0.00 0.00 175.30 173.59