#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 -0.89 -0.59 1.61 1.04 -1.26 -5.11 113.70 108.50 2py1 s SER 2 Ca 0.00 -0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 2py1 s SER 2 Cb 0.00 1.46 0.15 0.00 0.10 0.00 0.00 66.02 67.73 2py1 s SER 2 CO 0.00 -0.15 0.43 -0.04 0.98 0.00 0.00 173.24 174.47 2py1 s MET 3 N 2.67 2.62 -0.20 4.02 1.00 -1.26 -5.01 119.30 123.14 2py1 s MET 3 Ca 0.19 -2.23 -0.32 0.00 0.00 0.00 0.00 55.69 53.34 2py1 s MET 3 Cb -0.04 -3.87 0.15 0.00 0.00 0.00 0.00 34.83 31.07 2py1 s MET 3 CO -0.21 -1.18 1.17 -1.54 0.00 0.00 0.00 175.02 173.26 2py1 s SER 4 N 1.56 -0.19 -0.31 3.03 1.04 -1.26 -4.75 113.70 112.82 2py1 s SER 4 Ca 0.13 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.62 2py1 s SER 4 Cb -0.21 0.17 0.24 0.00 0.10 0.00 0.00 66.02 66.33 2py1 s SER 4 CO -0.04 -0.23 1.20 0.33 0.98 0.00 0.00 173.24 175.48 2py1 n PHE 5 N 0.30 -0.26 -1.68 5.02 7.35 -1.26 -5.10 117.46 121.82 2py1 n PHE 5 Ca -0.03 -0.57 -0.38 0.00 -0.76 0.00 0.00 57.45 55.70 2py1 n PHE 5 Cb 0.59 1.04 -0.03 0.00 0.35 0.00 0.00 39.48 41.42 2py1 n PHE 5 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2py1 s SER 6 N 0.56 4.88 0.00 -2.13 1.04 -1.26 -4.92 113.70 111.87 2py1 s SER 6 Ca 0.24 1.14 0.02 0.00 0.48 0.00 0.00 55.95 57.82 2py1 s SER 6 Cb 0.17 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.77 2py1 s SER 6 CO -0.10 -2.53 -0.06 -0.83 0.98 0.00 0.00 173.24 170.70 2py1 s GLY 7 N 10.31 0.32 0.34 7.32 0.00 -1.26 -5.10 107.32 119.25 2py1 s GLY 7 Ca 0.92 -0.34 -0.10 0.00 0.00 0.00 0.00 44.72 45.20 2py1 s GLY 7 CO 0.27 -0.31 0.68 1.25 0.00 0.00 0.00 173.10 174.99 2py1 s LYS 8 N -0.39 3.78 0.01 2.90 2.20 -1.26 -4.28 119.74 122.70 2py1 s LYS 8 Ca 0.00 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 2py1 s LYS 8 Cb -0.04 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.78 2py1 s LYS 8 CO -0.00 0.10 -0.02 0.71 -0.36 0.00 0.00 175.35 175.78 2py1 s TYR 9 N -2.16 0.18 -0.00 4.03 1.51 -1.25 -3.50 117.35 116.16 2py1 s TYR 9 Ca 0.49 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 2py1 s TYR 9 Cb -0.10 -0.12 -0.01 0.00 -0.11 0.00 0.00 41.96 41.61 2py1 s TYR 9 CO 0.27 -0.09 -0.09 -0.65 -1.11 0.00 0.00 175.55 173.88 2py1 s GLN 10 N -0.76 0.75 -0.44 -0.62 -0.21 0.31 -3.82 119.66 114.87 2py1 s GLN 10 Ca -0.08 -0.38 -0.44 0.00 0.02 0.00 0.00 55.36 54.48 2py1 s GLN 10 Cb -0.05 -0.72 -0.18 0.00 1.00 0.00 0.00 33.01 33.06 2py1 s GLN 10 CO -0.00 0.19 1.79 -0.11 -2.12 0.00 0.00 175.29 175.04 2py1 n LEU 11 N 2.73 1.46 -0.01 2.90 -0.00 -0.99 -2.65 117.00 120.45 2py1 n LEU 11 Ca -0.14 1.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.83 2py1 n LEU 11 Cb 0.57 -0.97 -0.01 0.00 -0.00 0.00 0.00 43.42 43.00 2py1 n LEU 11 CO 0.25 -0.72 -0.31 1.67 -0.00 0.00 0.00 177.39 178.28 2py1 n GLN 12 N 5.38 0.22 -3.93 1.96 7.27 -1.16 -4.89 117.38 122.24 2py1 n GLN 12 Ca 0.36 0.09 -0.09 0.00 0.07 0.00 0.00 57.00 57.42 2py1 n GLN 12 Cb 0.01 -0.88 -0.09 0.00 2.41 0.00 0.00 30.24 31.69 2py1 n GLN 12 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2py1 s SER 13 N -5.97 0.18 0.01 1.69 0.15 -0.19 -5.01 113.70 104.56 2py1 s SER 13 Ca -0.12 -0.53 -0.11 0.00 0.70 0.00 0.00 55.95 55.89 2py1 s SER 13 Cb 0.02 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 2py1 s SER 13 CO 0.18 -0.51 0.23 -1.10 1.20 0.00 0.00 173.24 173.23 2py1 s GLN 14 N -2.61 0.65 -0.01 5.44 -0.21 -1.26 -1.76 119.66 119.89 2py1 s GLN 14 Ca -0.05 -0.43 -0.02 0.00 0.02 0.00 0.00 55.36 54.88 2py1 s GLN 14 Cb -0.01 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.27 2py1 s GLN 14 CO -0.05 -0.18 0.05 -1.21 -2.12 0.00 0.00 175.29 171.78 2py1 s GLU 15 N -1.90 0.14 -1.46 2.91 2.02 -0.92 -4.85 118.70 114.63 2py1 s GLU 15 Ca -0.10 -0.07 -0.07 0.00 0.02 0.00 0.00 54.97 54.75 2py1 s GLU 15 Cb -0.04 0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.30 2py1 s GLU 15 CO 0.00 -0.02 0.71 0.09 0.02 0.00 0.00 175.26 176.06 2py1 n ASN 16 N 2.69 -2.28 -0.05 -0.19 3.02 -1.26 -3.86 115.26 113.32 2py1 n ASN 16 Ca -0.15 -0.89 -0.13 0.00 -0.03 0.00 0.00 54.58 53.38 2py1 n ASN 16 Cb 0.59 -3.52 -0.07 0.00 -0.61 0.00 0.00 39.78 36.16 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 -1.87 0.37 0.00 3.10 3.04 -1.92 -0.90 116.94 118.77 2py1 h PHE 17 Ca -0.60 -0.11 -0.07 0.00 3.98 0.00 0.00 57.97 61.16 2py1 h PHE 17 Cb 1.37 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.79 2py1 h PHE 17 CO 0.53 0.71 -0.35 1.49 -2.02 0.00 0.00 178.31 178.67 2py1 h GLU 18 N -0.08 0.00 -0.11 1.11 4.81 -1.97 -2.80 114.58 115.53 2py1 h GLU 18 Ca 0.02 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2py1 h GLU 18 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2py1 h GLU 18 CO 0.03 0.35 -0.24 0.00 -0.73 0.00 0.00 179.01 178.42 2py1 h ALA 19 N 1.65 0.18 0.00 2.92 0.00 -1.91 0.25 119.26 122.35 2py1 h ALA 19 Ca -0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2py1 h ALA 19 Cb 1.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2py1 h ALA 19 CO 0.05 0.16 -0.13 0.35 0.00 0.00 0.00 179.25 179.67 2py1 h PHE 20 N -0.07 0.00 0.10 0.00 3.57 -1.13 -1.21 116.94 118.21 2py1 h PHE 20 Ca 0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 2py1 h PHE 20 Cb 0.84 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2py1 h PHE 20 CO 0.11 0.13 -1.48 0.52 -2.23 0.00 0.00 178.31 175.36 2py1 h MET 21 N 0.00 0.21 0.00 1.11 2.86 -1.36 -3.28 114.93 114.48 2py1 h MET 21 Ca -0.00 -0.36 -0.09 0.00 -2.06 0.00 0.00 59.70 57.18 2py1 h MET 21 Cb 0.33 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2py1 h MET 21 CO 0.02 1.07 -0.43 -0.22 1.06 0.00 0.00 176.91 178.41 2py1 h LYS 22 N 0.06 0.00 -0.57 1.72 1.63 -0.42 0.89 116.57 119.89 2py1 h LYS 22 Ca -0.22 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.52 2py1 h LYS 22 Cb 1.99 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.60 2py1 h LYS 22 CO 0.16 0.43 0.12 0.00 -3.45 0.00 0.00 179.45 176.70 2py1 h ALA 23 N 1.57 1.14 0.00 5.00 0.00 -1.30 -2.17 119.26 123.50 2py1 h ALA 23 Ca -0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2py1 h ALA 23 Cb 0.80 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2py1 h ALA 23 CO 0.06 0.58 -0.80 -0.84 0.00 0.00 0.00 179.25 178.24 2py1 h ILE 24 N 0.85 0.75 0.00 0.00 3.07 -1.52 -3.48 117.51 117.19 2py1 h ILE 24 Ca 0.18 -2.15 0.00 0.00 1.55 0.00 0.00 64.86 64.44 2py1 h ILE 24 Cb 0.33 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 2py1 h ILE 24 CO 0.00 0.43 0.00 0.61 -1.05 0.00 0.00 178.15 178.14 2py1 n GLY 25 N 1.28 0.97 3.82 0.16 0.00 0.10 -5.11 105.19 106.42 2py1 n GLY 25 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 4.44 0.87 0.99 2.01 0.29 -4.96 118.68 122.31 2py1 s LEU 26 Ca 0.00 0.88 -0.12 0.00 0.01 0.00 0.00 54.13 54.90 2py1 s LEU 26 Cb 0.00 -2.54 0.11 0.00 0.01 0.00 0.00 46.19 43.78 2py1 s LEU 26 CO 0.00 0.29 1.12 -2.16 1.01 0.00 0.00 176.35 176.61 2py1 s PRO 27 N -0.83 1.47 0.25 1.29 0.04 -1.26 -4.28 135.00 131.68 2py1 s PRO 27 Ca 0.23 0.41 0.12 0.00 0.04 0.00 0.00 61.00 61.79 2py1 s PRO 27 Cb -0.16 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 32.72 2py1 s PRO 27 CO 0.12 -2.00 1.51 1.49 0.04 0.00 0.00 177.00 178.16 2py1 h GLU 28 N -1.36 0.00 -0.21 4.56 4.81 -1.98 -2.18 114.58 118.23 2py1 h GLU 28 Ca -0.49 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2py1 h GLU 28 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2py1 h GLU 28 CO 0.61 0.67 0.12 1.49 -0.73 0.00 0.00 179.01 181.17 2py1 h GLU 29 N 0.00 0.29 -0.16 1.92 4.81 -1.97 1.46 114.58 120.93 2py1 h GLU 29 Ca -0.01 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 2py1 h GLU 29 Cb 1.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2py1 h GLU 29 CO 0.09 0.26 -0.59 -0.07 -0.73 0.00 0.00 179.01 177.97 2py1 h LEU 30 N 0.25 0.58 -0.27 1.64 3.38 -1.95 0.14 115.31 119.07 2py1 h LEU 30 Ca 0.08 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2py1 h LEU 30 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2py1 h LEU 30 CO -0.01 1.04 -0.09 0.40 0.09 0.00 0.00 178.44 179.87 2py1 h ILE 31 N 0.39 1.29 0.00 1.22 2.04 -1.01 0.12 117.51 121.55 2py1 h ILE 31 Ca -0.00 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 2py1 h ILE 31 Cb 1.14 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2py1 h ILE 31 CO 0.11 0.36 -0.33 -0.61 0.00 0.00 0.00 178.15 177.68 2py1 h GLN 32 N 0.29 0.00 0.06 2.37 4.15 0.21 0.31 115.11 122.51 2py1 h GLN 32 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2py1 h GLN 32 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2py1 h GLN 32 CO 0.03 0.33 -0.03 0.87 -1.93 0.00 0.00 178.83 178.10 2py1 h LYS 33 N 0.00 -0.08 -0.60 1.69 1.57 -0.64 -2.99 116.57 115.52 2py1 h LYS 33 Ca -0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 2py1 h LYS 33 Cb 0.70 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2py1 h LYS 33 CO 0.04 0.51 -0.00 0.78 -0.57 0.00 0.00 179.45 180.21 2py1 h GLY 34 N -0.78 1.14 1.94 3.86 0.00 -0.67 -1.80 103.07 106.75 2py1 h GLY 34 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.49 2py1 h GLY 34 CO 0.01 0.76 0.03 1.70 0.00 0.00 0.00 176.54 179.05 2py1 h LYS 35 N 0.96 0.00 -0.00 4.80 3.64 -0.45 0.96 116.57 126.48 2py1 h LYS 35 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2py1 h LYS 35 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2py1 h LYS 35 CO 0.03 0.00 -0.39 -3.47 -2.27 0.00 0.00 179.45 173.35 2py1 n ASP 36 N -3.02 0.52 -4.25 4.20 -0.08 -0.69 -4.69 116.55 108.56 2py1 n ASP 36 Ca -0.03 -0.28 -0.37 0.00 -1.51 0.00 0.00 54.79 52.60 2py1 n ASP 36 Cb 0.09 0.14 -0.13 0.00 2.34 0.00 0.00 41.12 43.57 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 -2.90 3.55 -0.40 5.18 1.01 0.33 -5.04 121.20 122.94 2py1 s ILE 37 Ca 0.14 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 2py1 s ILE 37 Cb 0.18 -3.01 -0.09 0.00 0.01 0.00 0.00 42.46 39.55 2py1 s ILE 37 CO 0.65 -0.15 2.31 0.29 0.00 0.00 0.00 174.94 178.04 2py1 n LYS 38 N 4.76 1.28 -1.85 2.79 4.01 -1.26 -4.85 118.16 123.03 2py1 n LYS 38 Ca -0.13 0.26 -0.42 0.00 -0.51 0.00 0.00 58.31 57.51 2py1 n LYS 38 Cb 0.44 -2.96 -0.03 0.00 -0.51 0.00 0.00 35.03 31.97 2py1 n LYS 38 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2py1 s GLY 39 N 9.35 1.49 -0.09 0.72 0.00 -1.26 -4.81 107.32 112.71 2py1 s GLY 39 Ca 1.05 1.20 0.04 0.00 0.00 0.00 0.00 44.72 47.01 2py1 s GLY 39 CO 0.37 3.12 -0.24 0.14 0.00 0.00 0.00 173.10 176.50 2py1 s VAL 40 N 3.53 2.03 0.03 1.40 1.01 -1.26 -2.33 120.40 124.81 2py1 s VAL 40 Ca 0.79 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.82 2py1 s VAL 40 Cb -0.40 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2py1 s VAL 40 CO 0.35 0.56 -0.18 -0.55 0.00 0.00 0.00 175.10 175.27 2py1 s SER 41 N 0.27 3.81 0.03 3.32 0.15 -1.25 -4.44 113.70 115.59 2py1 s SER 41 Ca -0.16 -0.39 0.07 0.00 0.70 0.00 0.00 55.95 56.16 2py1 s SER 41 Cb -0.17 -0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 63.47 2py1 s SER 41 CO 0.08 0.27 -0.20 -0.70 1.20 0.00 0.00 173.24 173.89 2py1 s GLU 42 N -1.31 2.08 -0.15 5.44 2.12 -1.26 -3.79 118.70 121.83 2py1 s GLU 42 Ca 0.14 -0.97 0.01 0.00 0.36 0.00 0.00 54.97 54.52 2py1 s GLU 42 Cb -0.10 -2.17 0.02 0.00 0.26 0.00 0.00 34.13 32.14 2py1 s GLU 42 CO 0.04 0.55 -0.19 0.42 -0.54 0.00 0.00 175.26 175.54 2py1 s ILE 43 N -0.86 1.89 -0.14 -3.70 1.01 -1.26 -3.77 121.20 114.37 2py1 s ILE 43 Ca 0.13 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2py1 s ILE 43 Cb -0.10 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2py1 s ILE 43 CO 0.04 0.51 0.03 -0.69 0.00 0.00 0.00 174.94 174.83 2py1 s VAL 44 N 1.13 4.55 -0.03 2.92 1.01 0.64 -4.47 120.40 126.14 2py1 s VAL 44 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2py1 s VAL 44 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2py1 s VAL 44 CO -0.07 0.53 -0.05 0.00 0.00 0.00 0.00 175.10 175.51 2py1 s GLN 45 N -0.20 0.70 -0.46 2.72 1.03 -1.26 -1.08 119.66 121.12 2py1 s GLN 45 Ca 0.06 -0.13 0.06 0.00 0.04 0.00 0.00 55.36 55.39 2py1 s GLN 45 Cb -0.12 -0.71 0.18 0.00 0.03 0.00 0.00 33.01 32.38 2py1 s GLN 45 CO 0.02 -0.01 0.58 -0.80 -2.54 0.00 0.00 175.29 172.54 2py1 s ASN 46 N 0.59 -0.54 1.14 12.60 -0.87 -0.43 -4.94 114.94 122.49 2py1 s ASN 46 Ca -0.08 -1.77 0.00 0.00 -1.57 0.00 0.00 52.86 49.44 2py1 s ASN 46 Cb -0.11 1.28 0.00 0.00 -0.02 0.00 0.00 41.25 42.40 2py1 s ASN 46 CO 0.00 -0.13 0.00 0.61 -2.57 0.00 0.00 177.10 175.01 2py1 n GLY 47 N 3.41 1.95 0.02 0.66 0.00 -1.26 -2.62 105.19 107.35 2py1 n GLY 47 Ca 0.18 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 4.34 0.65 -3.54 1.61 5.02 -1.26 -4.66 118.16 120.32 2py1 n LYS 48 Ca 0.00 -0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 2py1 n LYS 48 Cb 0.00 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 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 -3.34 3.48 0.09 2.13 -3.43 -1.08 -4.17 115.29 108.98 2py1 s HIS 49 Ca -0.08 0.63 0.08 0.00 -0.80 0.00 0.00 55.06 54.89 2py1 s HIS 49 Cb 0.12 -2.33 -0.03 0.00 -1.43 0.00 0.00 32.58 28.91 2py1 s HIS 49 CO 0.85 0.27 -0.22 -0.59 -2.00 0.00 0.00 174.74 173.06 2py1 s PHE 50 N 0.34 1.87 0.16 0.38 -0.71 -0.57 -1.31 117.98 118.15 2py1 s PHE 50 Ca 0.17 -0.40 0.07 0.00 -1.04 0.00 0.00 56.93 55.73 2py1 s PHE 50 Cb -0.13 -1.05 -0.04 0.00 -1.21 0.00 0.00 43.02 40.59 2py1 s PHE 50 CO 0.05 0.19 -0.01 0.15 -1.34 0.00 0.00 175.22 174.26 2py1 s LYS 51 N -1.72 2.40 0.07 1.99 1.02 -0.24 -0.27 119.74 122.99 2py1 s LYS 51 Ca 0.08 -1.08 0.01 0.00 0.02 0.00 0.00 55.97 55.00 2py1 s LYS 51 Cb -0.10 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2py1 s LYS 51 CO 0.04 0.47 -0.06 -0.59 -0.92 0.00 0.00 175.35 174.29 2py1 s PHE 52 N -1.65 0.73 0.01 3.18 -0.12 -1.12 -0.26 117.98 118.75 2py1 s PHE 52 Ca 0.27 -0.88 0.02 0.00 -0.05 0.00 0.00 56.93 56.29 2py1 s PHE 52 Cb -0.10 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.83 2py1 s PHE 52 CO 0.18 -0.20 -0.07 0.99 -0.05 0.00 0.00 175.22 176.07 2py1 s THR 53 N -3.27 0.52 -0.29 -4.49 2.01 -1.25 -3.89 115.64 104.97 2py1 s THR 53 Ca 0.06 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 2py1 s THR 53 Cb 0.03 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.06 2py1 s THR 53 CO -0.05 -0.03 0.09 -0.63 -0.69 0.00 0.00 174.62 173.31 2py1 s ILE 54 N -0.54 4.07 -0.91 1.82 1.09 -1.25 -4.44 121.20 121.04 2py1 s ILE 54 Ca -0.01 -0.62 0.00 0.00 -1.10 0.00 0.00 60.65 58.92 2py1 s ILE 54 Cb -0.05 -3.08 0.30 0.00 -1.06 0.00 0.00 42.46 38.58 2py1 s ILE 54 CO 0.00 0.10 1.33 0.41 -0.10 0.00 0.00 174.94 176.68 2py1 n THR 55 N 4.89 4.57 -4.42 2.92 -1.04 -1.26 -3.87 114.28 116.06 2py1 n THR 55 Ca -0.15 -5.75 -0.34 0.00 -2.04 0.00 0.00 64.05 55.77 2py1 n THR 55 Cb 0.48 -1.88 -0.11 0.00 -1.82 0.00 0.00 70.33 67.01 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 -3.17 3.15 0.00 2.41 0.00 -1.25 -4.63 121.76 118.27 2py1 s ALA 56 Ca 0.37 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2py1 s ALA 56 Cb 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2py1 s ALA 56 CO -0.00 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2py1 n GLY 57 N 2.59 0.58 2.58 0.00 0.00 -1.26 -1.12 105.19 108.56 2py1 n GLY 57 Ca -0.18 0.74 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 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 3.46 -0.14 -3.42 1.61 3.41 -1.26 -5.06 113.62 112.22 2py1 n SER 58 Ca 0.00 -2.85 -0.14 0.00 -0.26 0.00 0.00 58.87 55.62 2py1 n SER 58 Cb 0.00 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.59 0.27 0.05 4.33 -2.85 -0.28 -5.15 119.74 114.53 2py1 s LYS 59 Ca 0.28 0.35 0.04 0.00 -1.00 0.00 0.00 55.97 55.63 2py1 s LYS 59 Cb 0.40 -0.84 -0.04 0.00 -2.06 0.00 0.00 37.83 35.29 2py1 s LYS 59 CO -0.03 -0.67 -0.02 0.14 0.10 0.00 0.00 175.35 174.87 2py1 s VAL 60 N 2.43 3.91 -0.03 1.79 -7.23 -1.25 -3.90 120.40 116.12 2py1 s VAL 60 Ca 0.10 -0.87 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 2py1 s VAL 60 Cb -0.16 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.01 2py1 s VAL 60 CO -0.15 0.24 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.22 2py1 s ILE 61 N -1.18 0.42 -0.25 -0.62 1.01 -1.26 -4.97 121.20 114.36 2py1 s ILE 61 Ca 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 2py1 s ILE 61 Cb -0.11 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 2py1 s ILE 61 CO 0.14 0.18 0.02 -1.58 0.00 0.00 0.00 174.94 173.70 2py1 s GLN 62 N 0.69 3.36 -0.04 2.79 0.74 -1.26 -3.88 119.66 122.05 2py1 s GLN 62 Ca -0.08 -0.66 -0.26 0.00 0.05 0.00 0.00 55.36 54.41 2py1 s GLN 62 Cb -0.12 -3.19 0.05 0.00 1.10 0.00 0.00 33.01 30.86 2py1 s GLN 62 CO -0.00 -0.27 0.56 -0.80 -0.55 0.00 0.00 175.29 174.23 2py1 s ASN 63 N 1.51 -0.51 0.10 6.67 0.01 -1.25 -5.09 114.94 116.38 2py1 s ASN 63 Ca 0.05 0.52 0.03 0.00 -0.71 0.00 0.00 52.86 52.75 2py1 s ASN 63 Cb -0.15 0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.95 2py1 s ASN 63 CO -0.00 -0.55 0.12 -1.83 -1.51 0.00 0.00 177.10 173.33 2py1 s GLU 64 N -1.21 2.97 0.05 -0.60 1.03 -1.26 -2.79 118.70 116.90 2py1 s GLU 64 Ca -0.12 -0.70 0.04 0.00 0.03 0.00 0.00 54.97 54.22 2py1 s GLU 64 Cb -0.02 -2.76 -0.02 0.00 -0.80 0.00 0.00 34.13 30.53 2py1 s GLU 64 CO 0.08 0.55 -0.11 0.12 -1.33 0.00 0.00 175.26 174.57 2py1 s PHE 65 N -1.50 0.99 0.19 4.83 2.19 0.63 -4.99 117.98 120.31 2py1 s PHE 65 Ca 0.31 -0.43 0.11 0.00 0.33 0.00 0.00 56.93 57.25 2py1 s PHE 65 Cb -0.12 -0.58 -0.04 0.00 -1.31 0.00 0.00 43.02 40.97 2py1 s PHE 65 CO 0.23 0.00 -0.21 0.99 1.83 0.00 0.00 175.22 178.06 2py1 s THR 66 N -1.15 2.53 0.66 0.12 2.01 -1.26 -1.50 115.64 117.05 2py1 s THR 66 Ca -0.04 -1.94 -0.12 0.00 0.31 0.00 0.00 61.69 59.90 2py1 s THR 66 Cb -0.09 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 2py1 s THR 66 CO 0.01 -0.11 1.06 -0.69 -0.69 0.00 0.00 174.62 174.20 2py1 s VAL 67 N -1.66 3.95 -1.02 3.82 1.01 -1.26 -3.16 120.40 122.09 2py1 s VAL 67 Ca 0.21 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2py1 s VAL 67 Cb -0.08 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2py1 s VAL 67 CO 0.11 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.07 2py1 n GLY 68 N -1.67 0.66 3.44 4.51 0.00 -1.00 -4.89 105.19 106.24 2py1 n GLY 68 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2py1 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2py1 s GLU 69 N -3.29 1.58 -0.24 1.61 0.41 -1.19 -5.00 118.70 112.58 2py1 s GLU 69 Ca 0.00 -1.77 0.00 0.00 -0.41 0.00 0.00 54.97 52.79 2py1 s GLU 69 Cb 0.00 -1.35 0.04 0.00 -1.78 0.00 0.00 34.13 31.04 2py1 s GLU 69 CO 0.00 0.13 -0.10 -2.00 -0.49 0.00 0.00 175.26 172.80 2py1 s GLU 70 N -3.65 2.65 0.28 1.61 2.12 -1.26 -3.48 118.70 116.96 2py1 s GLU 70 Ca 0.29 -1.09 0.10 0.00 0.36 0.00 0.00 54.97 54.63 2py1 s GLU 70 Cb 0.01 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 2py1 s GLU 70 CO 0.12 -0.43 -0.03 0.00 -0.54 0.00 0.00 175.26 174.39 2py1 s GLU 72 N -3.66 2.48 -0.01 0.00 -1.05 -1.26 0.10 118.70 115.30 2py1 s GLU 72 Ca 0.32 -0.90 0.01 0.00 -0.15 0.00 0.00 54.97 54.25 2py1 s GLU 72 Cb -0.06 -2.12 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 2py1 s GLU 72 CO 0.19 0.39 -0.03 -0.48 0.95 0.00 0.00 175.26 176.28 2py1 s LEU 73 N -0.20 1.80 -0.34 1.83 0.05 -0.38 -4.94 118.68 116.50 2py1 s LEU 73 Ca -0.02 -0.07 -0.29 0.00 0.05 0.00 0.00 54.13 53.80 2py1 s LEU 73 Cb -0.13 -0.23 -0.00 0.00 -2.05 0.00 0.00 46.19 43.78 2py1 s LEU 73 CO 0.03 0.01 1.43 -1.83 -0.55 0.00 0.00 176.35 175.44 2py1 s GLU 74 N 0.19 3.72 1.14 1.48 -1.05 -1.26 -2.29 118.70 120.63 2py1 s GLU 74 Ca -0.02 1.19 -0.12 0.00 -0.15 0.00 0.00 54.97 55.87 2py1 s GLU 74 Cb -0.05 -3.98 0.27 0.00 -0.44 0.00 0.00 34.13 29.93 2py1 s GLU 74 CO -0.00 -1.38 1.04 0.99 0.95 0.00 0.00 175.26 176.86 2py1 s THR 75 N 5.11 2.01 0.30 1.83 2.01 0.38 -4.69 115.64 122.59 2py1 s THR 75 Ca 0.62 0.00 0.27 0.00 0.31 0.00 0.00 61.69 62.90 2py1 s THR 75 Cb -0.17 -2.03 0.27 0.00 0.01 0.00 0.00 72.50 70.59 2py1 s THR 75 CO 0.29 -0.01 1.82 0.24 -0.69 0.00 0.00 174.62 176.27 2py1 h MET 76 N -2.56 0.00 -0.22 4.92 2.86 -1.94 1.01 114.93 119.00 2py1 h MET 76 Ca -0.59 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 2py1 h MET 76 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2py1 h MET 76 CO 0.48 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.86 2py1 n THR 77 N -2.58 0.28 0.00 2.22 -1.04 -1.26 -4.93 114.28 106.97 2py1 n THR 77 Ca -0.02 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2py1 n THR 77 Cb 0.21 0.49 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 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 1.20 2.16 3.33 3.41 0.00 0.35 -5.00 105.19 110.63 2py1 n GLY 78 Ca 0.16 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 2py1 n GLY 78 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2py1 n GLU 79 N 0.00 0.18 -4.06 1.61 0.28 -1.26 -4.05 120.64 113.33 2py1 n GLU 79 Ca 0.00 0.07 -0.35 0.00 -0.16 0.00 0.00 57.16 56.72 2py1 n GLU 79 Cb 0.00 -1.23 -0.13 0.00 1.43 0.00 0.00 31.44 31.51 2py1 n GLU 79 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2py1 s LYS 80 N -1.34 3.59 0.15 3.44 -2.85 -1.26 0.14 119.74 121.61 2py1 s LYS 80 Ca 0.61 -0.53 0.11 0.00 -1.00 0.00 0.00 55.97 55.15 2py1 s LYS 80 Cb -0.50 -3.07 -0.04 0.00 -2.06 0.00 0.00 37.83 32.16 2py1 s LYS 80 CO 0.62 -0.01 -0.24 0.14 0.10 0.00 0.00 175.35 175.95 2py1 s VAL 81 N 1.05 2.19 -0.38 1.79 -7.23 -0.97 -4.94 120.40 111.92 2py1 s VAL 81 Ca 0.02 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.19 2py1 s VAL 81 Cb -0.14 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.82 2py1 s VAL 81 CO 0.01 -0.04 0.30 -0.54 -0.31 0.00 0.00 175.10 174.52 2py1 s LYS 82 N -2.34 3.26 0.08 4.82 -0.14 -1.26 -1.25 119.74 122.91 2py1 s LYS 82 Ca 0.16 -0.77 0.01 0.00 -1.36 0.00 0.00 55.97 54.01 2py1 s LYS 82 Cb -0.09 -3.89 -0.04 0.00 -1.68 0.00 0.00 37.83 32.13 2py1 s LYS 82 CO 0.07 -0.62 0.19 0.95 -0.76 0.00 0.00 175.35 175.19 2py1 s THR 83 N 1.79 5.20 0.09 2.17 -4.23 0.29 -4.91 115.64 116.04 2py1 s THR 83 Ca 0.07 -0.51 0.05 0.00 -1.18 0.00 0.00 61.69 60.12 2py1 s THR 83 Cb -0.18 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 2py1 s THR 83 CO 0.11 0.10 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.45 2py1 s VAL 84 N -1.52 1.20 -0.22 2.29 1.01 -1.25 -1.04 120.40 120.87 2py1 s VAL 84 Ca 0.34 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 2py1 s VAL 84 Cb -0.13 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2py1 s VAL 84 CO 0.27 -0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.31 2py1 s VAL 85 N -1.55 2.85 0.25 2.92 1.01 -1.23 -3.08 120.40 121.56 2py1 s VAL 85 Ca 0.02 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.27 2py1 s VAL 85 Cb -0.08 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2py1 s VAL 85 CO 0.02 0.36 -0.01 -1.58 0.00 0.00 0.00 175.10 173.89 2py1 s GLN 86 N 1.37 2.30 -0.20 2.72 0.74 0.55 -2.38 119.66 124.76 2py1 s GLN 86 Ca 0.03 -1.36 -0.02 0.00 0.05 0.00 0.00 55.36 54.06 2py1 s GLN 86 Cb -0.15 -2.19 -0.00 0.00 1.10 0.00 0.00 33.01 31.77 2py1 s GLN 86 CO -0.06 0.38 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.45 2py1 s LEU 87 N -3.51 2.65 -0.24 3.68 1.43 -1.26 0.18 118.68 121.61 2py1 s LEU 87 Ca 0.30 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2py1 s LEU 87 Cb -0.07 -1.65 0.09 0.00 0.03 0.00 0.00 46.19 44.59 2py1 s LEU 87 CO 0.19 0.00 0.17 -0.70 0.23 0.00 0.00 176.35 176.25 2py1 s GLU 88 N 1.32 0.18 0.00 1.70 2.12 -1.22 -4.93 118.70 117.87 2py1 s GLU 88 Ca 0.04 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2py1 s GLU 88 Cb -0.14 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 32.99 2py1 s GLU 88 CO -0.05 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.24 2py1 n GLY 89 N 5.29 1.72 1.05 -1.50 0.00 -1.26 -4.58 105.19 105.91 2py1 n GLY 89 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -0.62 -1.98 1.61 -0.08 -1.26 -4.95 116.55 109.28 2py1 n ASP 90 Ca 0.00 0.20 -0.24 0.00 -1.51 0.00 0.00 54.79 53.24 2py1 n ASP 90 Cb 0.00 0.82 0.10 0.00 2.34 0.00 0.00 41.12 44.38 2py1 n ASP 90 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2py1 n ASN 91 N -2.35 5.34 -4.08 1.67 5.15 -1.26 -4.96 115.26 114.78 2py1 n ASN 91 Ca 0.00 -3.76 -0.13 0.00 -0.60 0.00 0.00 54.58 50.09 2py1 n ASN 91 Cb 0.00 -0.70 -0.11 0.00 -0.53 0.00 0.00 39.78 38.44 2py1 n ASN 91 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2py1 s LYS 92 N -3.58 0.57 0.02 1.20 -2.85 -1.26 -3.45 119.74 110.39 2py1 s LYS 92 Ca 0.56 -0.82 0.05 0.00 -1.00 0.00 0.00 55.97 54.76 2py1 s LYS 92 Cb 0.46 -0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 2py1 s LYS 92 CO 0.02 0.05 -0.14 -0.48 0.10 0.00 0.00 175.35 174.89 2py1 s LEU 93 N -1.72 2.12 -0.23 2.77 2.34 -1.24 -3.41 118.68 119.32 2py1 s LEU 93 Ca -0.08 -0.39 -0.01 0.00 0.06 0.00 0.00 54.13 53.71 2py1 s LEU 93 Cb -0.09 -0.66 0.02 0.00 -0.56 0.00 0.00 46.19 44.90 2py1 s LEU 93 CO 0.00 0.09 -0.10 -0.69 -1.06 0.00 0.00 176.35 174.59 2py1 s VAL 94 N -0.68 2.70 0.04 1.48 1.01 0.48 -3.44 120.40 121.99 2py1 s VAL 94 Ca 0.03 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2py1 s VAL 94 Cb -0.07 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2py1 s VAL 94 CO 0.01 0.29 -0.09 0.28 0.00 0.00 0.00 175.10 175.59 2py1 s THR 95 N 1.32 0.68 0.04 3.92 -1.32 -1.26 0.21 115.64 119.22 2py1 s THR 95 Ca 0.01 -0.93 0.05 0.00 -1.21 0.00 0.00 61.69 59.61 2py1 s THR 95 Cb -0.16 -0.68 -0.03 0.00 -1.51 0.00 0.00 72.50 70.12 2py1 s THR 95 CO -0.06 -0.20 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.16 2py1 s THR 96 N -1.04 3.44 -0.06 5.08 2.01 -1.18 -3.47 115.64 120.43 2py1 s THR 96 Ca -0.05 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 60.94 2py1 s THR 96 Cb -0.08 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.93 2py1 s THR 96 CO 0.01 0.31 0.15 0.72 -0.69 0.00 0.00 174.62 175.12 2py1 s PHE 97 N -1.04 -0.17 -1.38 4.92 -0.12 -0.49 -3.88 117.98 115.82 2py1 s PHE 97 Ca 0.18 0.42 0.00 0.00 -0.05 0.00 0.00 56.93 57.48 2py1 s PHE 97 Cb -0.11 0.04 0.00 0.00 -0.63 0.00 0.00 43.02 42.32 2py1 s PHE 97 CO 0.09 -0.10 0.00 1.17 -0.05 0.00 0.00 175.22 176.33 2py1 n LYS 98 N 3.20 -1.85 -1.06 1.99 0.00 -1.26 0.20 118.16 119.38 2py1 n LYS 98 Ca -0.15 0.78 -0.02 0.00 0.00 0.00 0.00 58.31 58.92 2py1 n LYS 98 Cb 0.58 -5.30 -0.01 0.00 0.00 0.00 0.00 35.03 30.30 2py1 n LYS 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2py1 n ASN 99 N -1.56 -4.21 -4.78 3.14 5.15 -1.26 -4.98 115.26 106.76 2py1 n ASN 99 Ca -0.17 0.05 -0.36 0.00 -0.60 0.00 0.00 54.58 53.50 2py1 n ASN 99 Cb 0.60 -1.88 -0.07 0.00 -0.53 0.00 0.00 39.78 37.89 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 -1.75 5.44 -0.19 -1.44 1.01 0.54 -5.06 121.20 119.75 2py1 s ILE 100 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.60 2py1 s ILE 100 Cb 0.00 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 2py1 s ILE 100 CO 0.00 0.50 0.84 -0.75 0.00 0.00 0.00 174.94 175.53 2py1 s LYS 101 N -0.10 4.27 0.07 2.79 2.20 -1.26 -1.39 119.74 126.31 2py1 s LYS 101 Ca 0.10 1.02 0.09 0.00 -0.36 0.00 0.00 55.97 56.82 2py1 s LYS 101 Cb -0.11 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2py1 s LYS 101 CO 0.00 -0.39 -0.25 0.45 -0.36 0.00 0.00 175.35 174.80 2py1 s SER 102 N 1.21 3.03 -0.20 1.43 0.15 -1.23 -4.13 113.70 113.96 2py1 s SER 102 Ca 0.38 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 56.38 2py1 s SER 102 Cb -0.16 -0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 63.90 2py1 s SER 102 CO 0.11 0.21 -0.09 -0.69 1.20 0.00 0.00 173.24 173.97 2py1 s VAL 103 N -0.90 3.00 -0.06 4.45 1.01 -1.22 -4.15 120.40 122.53 2py1 s VAL 103 Ca 0.11 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2py1 s VAL 103 Cb -0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2py1 s VAL 103 CO 0.03 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.58 2py1 s THR 104 N 1.31 3.16 0.00 3.92 2.01 -1.22 -2.48 115.64 122.33 2py1 s THR 104 Ca 0.04 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 2py1 s THR 104 Cb -0.14 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.12 2py1 s THR 104 CO -0.05 0.59 0.18 -1.83 -0.69 0.00 0.00 174.62 172.81 2py1 s GLU 105 N -0.65 0.53 -0.27 4.92 -1.05 -1.20 -3.60 118.70 117.38 2py1 s GLU 105 Ca 0.10 -0.37 -0.08 0.00 -0.15 0.00 0.00 54.97 54.47 2py1 s GLU 105 Cb -0.11 0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.78 2py1 s GLU 105 CO 0.01 -0.13 0.10 -0.51 0.95 0.00 0.00 175.26 175.68 2py1 s LEU 106 N -1.40 3.65 -0.16 1.83 1.43 -1.22 -3.75 118.68 119.06 2py1 s LEU 106 Ca -0.14 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2py1 s LEU 106 Cb -0.07 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.25 2py1 s LEU 106 CO 0.02 -0.07 0.10 0.21 0.23 0.00 0.00 176.35 176.83 2py1 s ASN 107 N 1.63 2.21 0.31 2.29 2.47 -0.97 -5.01 114.94 117.87 2py1 s ASN 107 Ca 0.06 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.79 2py1 s ASN 107 Cb -0.16 -0.20 0.00 0.00 -1.45 0.00 0.00 41.25 39.44 2py1 s ASN 107 CO 0.05 -0.34 0.00 0.61 -3.72 0.00 0.00 177.10 173.70 2py1 n GLY 108 N 5.28 2.52 1.39 1.21 0.00 -1.26 0.11 105.19 114.44 2py1 n GLY 108 Ca -0.07 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 2.73 4.64 -4.41 1.61 10.43 -1.26 -4.94 116.55 125.36 2py1 n ASP 109 Ca 0.00 -2.73 -0.29 0.00 2.57 0.00 0.00 54.79 54.34 2py1 n ASP 109 Cb 0.00 -0.57 -0.13 0.00 1.84 0.00 0.00 41.12 42.26 2py1 n ASP 109 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2py1 s ILE 110 N -2.34 2.39 -0.08 0.53 1.01 0.31 -2.74 121.20 120.28 2py1 s ILE 110 Ca 0.47 -1.59 0.01 0.00 0.00 0.00 0.00 60.65 59.54 2py1 s ILE 110 Cb 0.34 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.79 2py1 s ILE 110 CO 0.16 0.17 -0.08 -0.51 0.00 0.00 0.00 174.94 174.69 2py1 s ILE 111 N -1.01 0.90 -0.32 2.92 2.07 -1.26 -2.30 121.20 122.20 2py1 s ILE 111 Ca 0.14 -0.28 -0.11 0.00 -1.41 0.00 0.00 60.65 58.99 2py1 s ILE 111 Cb -0.10 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2py1 s ILE 111 CO 0.06 0.33 0.20 -0.89 -1.91 0.00 0.00 174.94 172.73 2py1 s THR 112 N 1.26 5.03 -0.10 4.00 2.01 -1.25 -4.10 115.64 122.49 2py1 s THR 112 Ca -0.04 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.73 2py1 s THR 112 Cb -0.14 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2py1 s THR 112 CO -0.03 0.04 -0.23 0.21 -0.69 0.00 0.00 174.62 173.93 2py1 s ASN 113 N 1.68 2.94 0.15 3.53 3.84 -1.25 -3.26 114.94 122.58 2py1 s ASN 113 Ca 0.06 -0.53 0.06 0.00 0.21 0.00 0.00 52.86 52.65 2py1 s ASN 113 Cb -0.17 -1.35 -0.04 0.00 -0.55 0.00 0.00 41.25 39.14 2py1 s ASN 113 CO 0.09 0.14 0.05 -0.89 -2.79 0.00 0.00 177.10 173.71 2py1 s THR 114 N 0.39 4.10 0.00 -5.21 2.01 -1.04 -3.91 115.64 111.98 2py1 s THR 114 Ca -0.18 -1.18 -0.10 0.00 0.31 0.00 0.00 61.69 60.54 2py1 s THR 114 Cb -0.18 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.29 2py1 s THR 114 CO 0.08 -0.05 0.19 -0.04 -0.69 0.00 0.00 174.62 174.11 2py1 s MET 115 N -2.85 0.56 -0.12 4.92 -1.94 -1.09 -3.39 119.30 115.40 2py1 s MET 115 Ca 0.28 -0.38 -0.04 0.00 -1.71 0.00 0.00 55.69 53.85 2py1 s MET 115 Cb -0.10 0.24 0.06 0.00 2.01 0.00 0.00 34.83 37.03 2py1 s MET 115 CO 0.20 -0.15 0.14 -0.08 -0.01 0.00 0.00 175.02 175.12 2py1 s THR 116 N -1.54 -0.20 -0.06 2.05 -1.32 -1.26 -1.51 115.64 111.79 2py1 s THR 116 Ca -0.13 0.13 -0.05 0.00 -1.21 0.00 0.00 61.69 60.42 2py1 s THR 116 Cb -0.06 -0.43 0.02 0.00 -1.51 0.00 0.00 72.50 70.52 2py1 s THR 116 CO 0.02 -0.04 0.17 -0.22 -2.21 0.00 0.00 174.62 172.33 2py1 s LEU 117 N 2.24 1.29 -1.31 9.08 2.96 0.48 -4.64 118.68 128.78 2py1 s LEU 117 Ca 0.04 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.22 2py1 s LEU 117 Cb -0.14 0.56 0.04 0.00 0.50 0.00 0.00 46.19 47.15 2py1 s LEU 117 CO -0.07 -0.07 0.41 0.61 -1.32 0.00 0.00 176.35 175.91 2py1 n GLY 118 N 3.12 -0.50 2.54 7.98 0.00 -1.26 0.18 105.19 117.27 2py1 n GLY 118 Ca -0.14 0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.25 -4.64 -4.42 1.61 2.03 -1.26 -4.96 116.55 102.66 2py1 n ASP 119 Ca -0.07 0.01 -0.36 0.00 0.52 0.00 0.00 54.79 54.89 2py1 n ASP 119 Cb 0.58 -2.17 -0.13 0.00 -0.72 0.00 0.00 41.12 38.68 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 -1.48 4.16 -0.17 5.18 1.01 0.49 -5.08 121.20 125.31 2py1 s ILE 120 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 2py1 s ILE 120 Cb 0.00 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2py1 s ILE 120 CO 0.00 0.32 0.17 0.54 0.00 0.00 0.00 174.94 175.97 2py1 s VAL 121 N 1.59 5.40 0.15 2.92 0.11 -1.26 -0.38 120.40 128.92 2py1 s VAL 121 Ca 0.06 0.28 0.10 0.00 -2.93 0.00 0.00 61.98 59.49 2py1 s VAL 121 Cb -0.15 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2py1 s VAL 121 CO 0.03 0.46 -0.21 0.12 -3.33 0.00 0.00 175.10 172.18 2py1 s PHE 122 N 0.11 2.43 0.10 1.54 2.19 -0.57 -4.95 117.98 118.82 2py1 s PHE 122 Ca 0.11 -0.31 0.04 0.00 0.33 0.00 0.00 56.93 57.10 2py1 s PHE 122 Cb -0.12 -1.26 -0.04 0.00 -1.31 0.00 0.00 43.02 40.30 2py1 s PHE 122 CO 0.00 0.42 -0.10 0.21 1.83 0.00 0.00 175.22 177.58 2py1 s LYS 123 N -2.36 0.87 -0.06 10.12 2.20 -1.25 -2.66 119.74 126.60 2py1 s LYS 123 Ca 0.19 -1.17 -0.25 0.00 -0.36 0.00 0.00 55.97 54.38 2py1 s LYS 123 Cb -0.09 -0.57 0.05 0.00 -1.51 0.00 0.00 37.83 35.71 2py1 s LYS 123 CO 0.10 0.09 0.56 -0.98 -0.36 0.00 0.00 175.35 174.76 2py1 s ARG 124 N -2.79 0.90 -0.00 4.03 1.70 -1.25 -2.17 118.95 119.36 2py1 s ARG 124 Ca 0.06 0.18 0.03 0.00 -0.47 0.00 0.00 55.73 55.53 2py1 s ARG 124 Cb -0.03 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 2py1 s ARG 124 CO 0.00 -0.26 -0.09 0.42 -1.08 0.00 0.00 175.30 174.30 2py1 s ILE 125 N -1.07 0.67 0.26 4.99 -1.09 -0.72 -4.08 121.20 120.16 2py1 s ILE 125 Ca -0.11 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 57.95 2py1 s ILE 125 Cb -0.02 -0.57 -0.05 0.00 -1.58 0.00 0.00 42.46 40.24 2py1 s ILE 125 CO 0.07 0.17 0.06 -0.94 -1.23 0.00 0.00 174.94 173.08 2py1 s SER 126 N -0.24 1.53 0.03 3.58 1.04 -1.26 -1.02 113.70 117.36 2py1 s SER 126 Ca 0.03 -1.33 -0.18 0.00 0.48 0.00 0.00 55.95 54.95 2py1 s SER 126 Cb -0.03 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.21 2py1 s SER 126 CO -0.00 -0.65 0.40 -0.75 0.98 0.00 0.00 173.24 173.22 2py1 s LYS 127 N -3.97 0.88 -0.03 4.02 2.20 -1.08 -3.99 119.74 117.78 2py1 s LYS 127 Ca 0.35 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 2py1 s LYS 127 Cb 0.07 0.39 -0.06 0.00 -1.51 0.00 0.00 37.83 36.73 2py1 s LYS 127 CO 0.12 -0.29 1.54 0.50 -0.36 0.00 0.00 175.35 176.85 2py1 s ARG 128 N -2.25 4.22 0.00 4.03 3.52 -1.11 0.11 118.95 127.48 2py1 s ARG 128 Ca -0.07 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.63 2py1 s ARG 128 Cb -0.01 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 2py1 s ARG 128 CO -0.01 -0.73 0.00 -0.89 -0.81 0.00 0.00 175.30 172.87