#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy s SER 2 N 0.00 7.31 -0.29 1.61 0.01 -1.26 -4.92 113.70 116.16 2yuy s SER 2 Ca 0.00 -3.55 -0.16 0.00 1.31 0.00 0.00 55.95 53.55 2yuy s SER 2 Cb 0.00 -2.23 0.13 0.00 0.21 0.00 0.00 66.02 64.14 2yuy s SER 2 CO 0.00 -0.33 0.90 -0.94 0.41 0.00 0.00 173.24 173.29 2yuy s SER 3 N 1.45 -0.64 -0.91 2.44 1.04 -1.26 -5.10 113.70 110.73 2yuy s SER 3 Ca 0.32 0.99 -0.24 0.00 0.48 0.00 0.00 55.95 57.50 2yuy s SER 3 Cb -0.09 1.37 0.05 0.00 0.10 0.00 0.00 66.02 67.45 2yuy s SER 3 CO -0.07 -0.15 1.35 -0.83 0.98 0.00 0.00 173.24 174.52 2yuy s GLY 4 N 1.64 1.19 -0.28 7.32 0.00 -1.26 -4.91 107.32 111.03 2yuy s GLY 4 Ca -0.08 -1.99 -0.25 0.00 0.00 0.00 0.00 44.72 42.40 2yuy s GLY 4 CO -0.16 2.60 0.87 -0.45 0.00 0.00 0.00 173.10 175.95 2yuy s SER 5 N 4.43 -0.61 -0.07 1.64 0.15 -1.26 -5.18 113.70 112.80 2yuy s SER 5 Ca 0.40 1.18 -0.30 0.00 0.70 0.00 0.00 55.95 57.93 2yuy s SER 5 Cb -0.04 1.19 0.10 0.00 -1.71 0.00 0.00 66.02 65.57 2yuy s SER 5 CO -0.01 -0.20 0.85 -0.55 1.20 0.00 0.00 173.24 174.52 2yuy s SER 6 N 0.35 -0.48 0.00 5.45 0.15 -1.26 -5.16 113.70 112.75 2yuy s SER 6 Ca 0.01 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2yuy s SER 6 Cb -0.05 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2yuy s SER 6 CO -0.03 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2yuy n GLY 7 N 0.54 3.90 0.00 9.45 0.00 -1.26 -5.10 105.19 112.73 2yuy n GLY 7 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2yuy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 8 N 0.00 2.01 3.81 -0.02 0.00 -1.26 -5.06 105.19 104.68 2yuy n GLY 8 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2yuy n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 9 N 0.00 2.33 0.03 1.61 0.04 -1.26 -4.66 135.00 133.09 2yuy s PRO 9 Ca 0.00 0.74 0.08 0.00 0.04 0.00 0.00 61.00 61.86 2yuy s PRO 9 Cb 0.00 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2yuy s PRO 9 CO 0.00 -1.47 -0.24 0.21 0.04 0.00 0.00 177.00 175.54 2yuy s LYS 10 N -5.12 1.69 -0.02 4.56 2.47 -1.02 -5.00 119.74 117.30 2yuy s LYS 10 Ca 0.60 -0.98 0.04 0.00 -1.56 0.00 0.00 55.97 54.07 2yuy s LYS 10 Cb -0.14 -1.78 -0.01 0.00 -1.46 0.00 0.00 37.83 34.44 2yuy s LYS 10 CO 0.54 0.47 -0.13 0.99 0.16 0.00 0.00 175.35 177.38 2yuy s THR 11 N -0.73 1.03 -0.02 3.43 2.01 -1.26 -2.79 115.64 117.31 2yuy s THR 11 Ca 0.10 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2yuy s THR 11 Cb -0.09 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.55 2yuy s THR 11 CO 0.01 0.30 0.05 0.68 -0.69 0.00 0.00 174.62 174.98 2yuy s VAL 12 N -0.11 -0.02 0.17 3.82 -7.23 -0.01 -4.97 120.40 112.04 2yuy s VAL 12 Ca 0.01 0.07 0.06 0.00 -1.81 0.00 0.00 61.98 60.31 2yuy s VAL 12 Cb -0.07 -0.09 -0.04 0.00 0.56 0.00 0.00 36.38 36.74 2yuy s VAL 12 CO 0.00 0.03 0.07 -0.89 -0.31 0.00 0.00 175.10 174.00 2yuy s THR 13 N 0.38 4.11 0.04 5.32 2.01 -1.26 0.18 115.64 126.42 2yuy s THR 13 Ca -0.03 -1.24 0.01 0.00 0.31 0.00 0.00 61.69 60.74 2yuy s THR 13 Cb -0.04 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2yuy s THR 13 CO -0.01 -0.10 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.00 2yuy s LEU 14 N -3.00 2.29 -0.16 4.42 1.02 0.14 -4.63 118.68 118.76 2yuy s LEU 14 Ca 0.29 -0.61 -0.02 0.00 0.02 0.00 0.00 54.13 53.82 2yuy s LEU 14 Cb -0.10 -0.04 0.05 0.00 0.02 0.00 0.00 46.19 46.11 2yuy s LEU 14 CO 0.21 -0.29 -0.01 -0.54 0.02 0.00 0.00 176.35 175.75 2yuy s LYS 15 N -1.90 0.94 -0.48 1.70 1.02 -1.26 -0.64 119.74 119.11 2yuy s LYS 15 Ca -0.09 -0.35 -0.43 0.00 0.02 0.00 0.00 55.97 55.12 2yuy s LYS 15 Cb -0.07 -1.83 -0.19 0.00 -0.52 0.00 0.00 37.83 35.22 2yuy s LYS 15 CO -0.01 -0.49 1.89 -2.13 -0.92 0.00 0.00 175.35 173.69 2yuy n ARG 16 N 5.00 0.00 -1.09 1.68 0.63 -0.11 -4.73 116.66 118.04 2yuy n ARG 16 Ca -0.10 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.81 2yuy n ARG 16 Cb 0.48 -1.44 -0.03 0.00 0.45 0.00 0.00 32.46 31.92 2yuy n ARG 16 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2yuy n THR 17 N 5.47 0.00 -3.68 5.15 5.66 -1.26 -5.01 114.28 120.61 2yuy n THR 17 Ca 0.45 -0.31 -0.00 0.00 -3.05 0.00 0.00 64.05 61.14 2yuy n THR 17 Cb -0.04 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 2yuy n THR 17 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2yuy n SER 18 N 0.16 -0.33 -0.25 1.09 3.41 -1.26 -5.00 113.62 111.43 2yuy n SER 18 Ca -0.14 -1.14 -0.10 0.00 -0.26 0.00 0.00 58.87 57.24 2yuy n SER 18 Cb 0.82 0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 65.24 2yuy n SER 18 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2yuy h GLN 19 N 0.00 -0.20 0.00 4.33 5.75 -2.02 -3.38 115.11 119.59 2yuy h GLN 19 Ca -0.05 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2yuy h GLN 19 Cb 0.26 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.85 2yuy h GLN 19 CO 0.07 -0.13 -0.19 0.41 -2.65 0.00 0.00 178.83 176.34 2yuy n GLY 20 N -1.37 -0.14 0.30 2.39 0.00 -1.26 -5.11 105.19 100.00 2yuy n GLY 20 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2yuy n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yuy n PHE 21 N -3.47 -0.37 0.00 1.61 3.72 -1.26 -4.73 117.46 112.96 2yuy n PHE 21 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2yuy n PHE 21 Cb 0.10 0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2yuy n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yuy n GLY 22 N -0.98 0.00 2.83 1.37 0.00 -1.26 -4.41 105.19 102.74 2yuy n GLY 22 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2yuy n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2yuy n PHE 23 N 0.00 -0.26 -3.56 1.61 -1.74 -1.26 -2.69 117.46 109.56 2yuy n PHE 23 Ca 0.00 -0.48 -0.11 0.00 -0.56 0.00 0.00 57.45 56.30 2yuy n PHE 23 Cb 0.00 0.22 -0.03 0.00 1.52 0.00 0.00 39.48 41.19 2yuy n PHE 23 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2yuy s THR 24 N -2.05 0.01 0.51 1.97 -1.32 -1.17 -4.94 115.64 108.65 2yuy s THR 24 Ca 0.22 -0.35 0.04 0.00 -1.21 0.00 0.00 61.69 60.38 2yuy s THR 24 Cb -0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 2yuy s THR 24 CO -0.01 -0.06 0.18 -0.76 -2.21 0.00 0.00 174.62 171.76 2yuy s LEU 25 N -2.80 2.54 0.04 9.08 2.01 -1.26 -2.02 118.68 126.26 2yuy s LEU 25 Ca 0.04 -1.43 0.01 0.00 0.01 0.00 0.00 54.13 52.76 2yuy s LEU 25 Cb -0.01 -0.98 -0.02 0.00 0.01 0.00 0.00 46.19 45.18 2yuy s LEU 25 CO -0.08 -0.92 -0.05 -0.60 1.01 0.00 0.00 176.35 175.71 2yuy s ARG 26 N -4.04 0.45 0.00 1.70 3.52 -1.07 -4.64 118.95 114.88 2yuy s ARG 26 Ca 0.21 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2yuy s ARG 26 Cb 0.00 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.31 2yuy s ARG 26 CO 0.12 -0.01 0.00 1.58 -0.81 0.00 0.00 175.30 176.19 2yuy n HIS 27 N 1.37 0.00 0.00 5.12 -0.00 -1.26 -4.61 115.22 115.84 2yuy n HIS 27 Ca -0.22 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.96 2yuy n HIS 27 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 2yuy n HIS 27 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2yuy n PHE 28 N -0.84 0.00 -1.54 1.57 7.35 -1.26 -5.08 117.46 117.66 2yuy n PHE 28 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 2yuy n PHE 28 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 2yuy n PHE 28 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2yuy n ILE 29 N 0.00 -0.03 -3.31 -2.13 5.41 -1.26 -4.88 119.36 113.15 2yuy n ILE 29 Ca 0.00 -0.53 -0.36 0.00 1.00 0.00 0.00 62.75 62.86 2yuy n ILE 29 Cb 0.00 -1.76 -0.06 0.00 -0.71 0.00 0.00 39.64 37.12 2yuy n ILE 29 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2yuy s VAL 30 N 10.73 4.80 -0.53 1.39 1.01 -1.26 -5.03 120.40 131.51 2yuy s VAL 30 Ca 1.08 0.94 0.07 0.00 0.00 0.00 0.00 61.98 64.08 2yuy s VAL 30 Cb -0.45 -3.77 0.29 0.00 0.00 0.00 0.00 36.38 32.44 2yuy s VAL 30 CO 0.29 0.28 0.75 -1.22 0.00 0.00 0.00 175.10 175.21 2yuy n TYR 31 N 0.93 2.45 -1.56 5.22 4.02 -1.26 -5.10 117.16 121.86 2yuy n TYR 31 Ca -0.06 -3.95 -0.30 0.00 -0.01 0.00 0.00 57.90 53.59 2yuy n TYR 31 Cb 0.52 -0.48 0.09 0.00 -0.02 0.00 0.00 39.34 39.45 2yuy n TYR 31 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2yuy s PRO 32 N -2.47 2.13 -0.35 -0.72 0.04 -1.26 -4.89 135.00 127.48 2yuy s PRO 32 Ca 0.41 0.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 2yuy s PRO 32 Cb 0.22 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.67 2yuy s PRO 32 CO -0.07 -1.59 2.73 -0.35 0.04 0.00 0.00 177.00 177.76 2yuy n PRO 33 N -3.42 1.86 0.00 0.56 -0.04 -1.26 -4.80 135.00 127.90 2yuy n PRO 33 Ca 0.07 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2yuy n PRO 33 Cb 0.56 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 2yuy n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2yuy n GLU 34 N 3.00 0.00 -4.89 0.54 1.02 -1.26 -4.43 120.64 114.62 2yuy n GLU 34 Ca 0.40 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.23 2yuy n GLU 34 Cb 0.54 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.79 2yuy n GLU 34 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yuy s SER 35 N -2.31 2.82 0.00 1.62 0.15 -1.26 -5.10 113.70 109.62 2yuy s SER 35 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2yuy s SER 35 Cb 0.00 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2yuy s SER 35 CO 0.00 0.10 0.00 0.00 1.20 0.00 0.00 173.24 174.54 2yuy n ALA 36 N 3.79 0.00 -1.62 5.45 0.00 -1.26 -5.13 120.51 121.74 2yuy n ALA 36 Ca -0.20 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.76 2yuy n ALA 36 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 2yuy n ALA 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yuy n ILE 37 N -0.10 0.41 -0.21 0.00 2.08 -1.26 -4.85 119.36 115.43 2yuy n ILE 37 Ca 0.00 -0.10 -0.03 0.00 0.56 0.00 0.00 62.75 63.18 2yuy n ILE 37 Cb 0.00 -1.12 0.08 0.00 -0.75 0.00 0.00 39.64 37.85 2yuy n ILE 37 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 2yuy h GLN 38 N 4.50 0.62 -0.64 0.38 4.15 -2.02 -3.44 115.11 118.66 2yuy h GLN 38 Ca -0.45 -0.04 0.23 0.00 0.77 0.00 0.00 58.65 59.16 2yuy h GLN 38 Cb 1.31 -0.14 -0.31 0.00 0.21 0.00 0.00 27.48 28.55 2yuy h GLN 38 CO 0.78 0.41 0.66 0.12 -1.93 0.00 0.00 178.83 178.87 2yuy s PHE 39 N -6.11 -0.07 -0.25 3.99 2.19 -1.26 -5.14 117.98 111.33 2yuy s PHE 39 Ca -0.13 0.13 0.02 0.00 0.33 0.00 0.00 56.93 57.28 2yuy s PHE 39 Cb 0.15 0.04 0.06 0.00 -1.31 0.00 0.00 43.02 41.97 2yuy s PHE 39 CO 0.75 -0.03 -0.06 0.45 1.83 0.00 0.00 175.22 178.15 2yuy s SER 40 N 1.49 4.09 -0.15 6.13 0.15 -1.26 -5.11 113.70 119.03 2yuy s SER 40 Ca -0.04 -1.30 -0.09 0.00 0.70 0.00 0.00 55.95 55.22 2yuy s SER 40 Cb -0.02 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 2yuy s SER 40 CO -0.13 -0.23 0.15 -0.47 1.20 0.00 0.00 173.24 173.77 2yuy s TYR 41 N 1.28 3.52 -0.12 3.44 6.14 -1.26 -5.00 117.35 125.36 2yuy s TYR 41 Ca -0.06 0.47 -0.13 0.00 0.64 0.00 0.00 57.07 57.99 2yuy s TYR 41 Cb -0.19 -2.06 -0.04 0.00 0.42 0.00 0.00 41.96 40.09 2yuy s TYR 41 CO -0.06 0.53 -0.26 1.17 0.64 0.00 0.00 175.55 177.57 2yuy n LYS 42 N 2.66 0.39 0.01 4.97 0.00 -1.26 -5.07 118.16 119.86 2yuy n LYS 42 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 58.31 58.29 2yuy n LYS 42 Cb 0.54 -1.18 0.00 0.00 0.00 0.00 0.00 35.03 34.39 2yuy n LYS 42 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2yuy n ASP 43 N -4.09 -0.11 -4.10 3.14 2.03 -1.26 -5.08 116.55 107.07 2yuy n ASP 43 Ca -0.10 0.21 -0.35 0.00 0.52 0.00 0.00 54.79 55.07 2yuy n ASP 43 Cb 0.38 0.31 -0.13 0.00 -0.72 0.00 0.00 41.12 40.97 2yuy n ASP 43 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2yuy s GLU 44 N -2.00 1.93 0.17 -0.67 2.12 -1.26 -5.07 118.70 113.92 2yuy s GLU 44 Ca 0.00 -1.77 -0.32 0.00 0.36 0.00 0.00 54.97 53.24 2yuy s GLU 44 Cb 0.00 -3.46 -0.11 0.00 0.26 0.00 0.00 34.13 30.82 2yuy s GLU 44 CO 0.00 -1.00 1.76 -2.00 -0.54 0.00 0.00 175.26 173.49 2yuy s GLU 45 N 1.10 4.13 -0.21 4.30 2.12 -1.26 -4.97 118.70 123.90 2yuy s GLU 45 Ca 0.07 2.59 -0.07 0.00 0.36 0.00 0.00 54.97 57.93 2yuy s GLU 45 Cb -0.22 -3.31 0.10 0.00 0.26 0.00 0.00 34.13 30.97 2yuy s GLU 45 CO -0.05 -0.79 0.44 1.21 -0.54 0.00 0.00 175.26 175.54 2yuy s ASN 46 N 1.86 -0.32 1.01 -1.70 3.84 -1.26 -5.15 114.94 113.21 2yuy s ASN 46 Ca 0.77 0.98 -0.20 0.00 0.21 0.00 0.00 52.86 54.62 2yuy s ASN 46 Cb -0.48 1.44 -0.11 0.00 -0.55 0.00 0.00 41.25 41.55 2yuy s ASN 46 CO 0.34 -0.24 -0.78 0.61 -2.79 0.00 0.00 177.10 174.24 2yuy n GLY 47 N 5.40 -3.53 0.00 1.21 0.00 -1.26 -4.84 105.19 102.17 2yuy n GLY 47 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2yuy n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yuy n ASN 48 N 2.22 0.00 -4.37 1.61 5.15 -1.26 -5.15 115.26 113.47 2yuy n ASN 48 Ca -0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.67 2yuy n ASN 48 Cb 0.63 0.00 0.22 0.00 -0.53 0.00 0.00 39.78 40.09 2yuy n ASN 48 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2yuy n ARG 49 N 0.00 -2.10 0.00 1.20 3.00 -1.26 -5.04 116.66 112.46 2yuy n ARG 49 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 57.85 57.25 2yuy n ARG 49 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 32.46 30.53 2yuy n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2yuy n GLY 50 N 1.54 1.63 0.00 -0.13 0.00 -1.26 -5.19 105.19 101.78 2yuy n GLY 50 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2yuy n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 51 N 3.56 -0.32 1.57 -0.02 0.00 -1.26 -5.07 105.19 103.65 2yuy n GLY 51 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2yuy n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuy n LYS 52 N -0.41 0.00 -0.64 1.61 5.02 -1.26 -5.10 118.16 117.38 2yuy n LYS 52 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2yuy n LYS 52 Cb 0.00 -0.10 0.19 0.00 -0.02 0.00 0.00 35.03 35.10 2yuy n LYS 52 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2yuy n GLN 53 N -2.94 -1.37 -3.65 1.97 3.00 -1.26 -5.04 117.38 108.09 2yuy n GLN 53 Ca 0.00 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 2yuy n GLN 53 Cb 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 30.24 28.19 2yuy n GLN 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2yuy s ARG 54 N -3.97 0.01 -0.03 -1.09 3.52 -1.26 -4.93 118.95 111.20 2yuy s ARG 54 Ca 0.62 0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 56.21 2yuy s ARG 54 Cb -0.20 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 2yuy s ARG 54 CO 0.65 -0.00 -0.06 0.27 -0.81 0.00 0.00 175.30 175.35 2yuy n ASN 55 N 2.21 0.47 -2.72 -2.12 0.23 -1.26 -4.90 115.26 107.17 2yuy n ASN 55 Ca -0.13 0.07 -0.05 0.00 -0.53 0.00 0.00 54.58 53.94 2yuy n ASN 55 Cb 0.57 -0.18 0.08 0.00 -2.08 0.00 0.00 39.78 38.16 2yuy n ASN 55 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2yuy n ARG 56 N -3.28 1.35 -2.45 -3.83 3.00 -1.26 -5.01 116.66 105.18 2yuy n ARG 56 Ca -0.08 -2.57 -0.01 0.00 -0.00 0.00 0.00 57.85 55.18 2yuy n ARG 56 Cb 0.50 -0.72 0.00 0.00 0.00 0.00 0.00 32.46 32.24 2yuy n ARG 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2yuy n LEU 57 N -0.62 -5.23 -1.31 6.15 4.32 -1.26 -4.84 117.00 114.21 2yuy n LEU 57 Ca 0.00 0.05 0.15 0.00 -0.02 0.00 0.00 56.01 56.20 2yuy n LEU 57 Cb 0.83 -2.48 -0.07 0.00 -1.62 0.00 0.00 43.42 40.08 2yuy n LEU 57 CO 0.05 -0.91 -0.50 -0.62 -1.22 0.00 0.00 177.39 174.19 2yuy n GLU 58 N -1.21 -2.78 0.00 3.23 1.02 -1.26 -4.93 120.64 114.71 2yuy n GLU 58 Ca 0.02 2.22 0.00 0.00 -0.02 0.00 0.00 57.16 59.38 2yuy n GLU 58 Cb 0.45 -3.36 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 2yuy n GLU 58 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2yuy n PRO 59 N -4.10 0.82 -2.41 3.49 -0.04 -1.26 -4.90 135.00 126.60 2yuy n PRO 59 Ca -0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 2yuy n PRO 59 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 2yuy n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yuy n MET 60 N -0.15 3.45 -1.57 0.54 0.00 -1.26 -4.92 117.12 113.21 2yuy n MET 60 Ca 0.00 -3.47 -0.14 0.00 0.00 0.00 0.00 57.70 54.09 2yuy n MET 60 Cb 0.00 -3.03 -0.10 0.00 0.00 0.00 0.00 33.22 30.09 2yuy n MET 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2yuy s ASP 61 N 1.77 3.52 0.34 3.17 1.11 -1.26 -4.83 116.67 120.49 2yuy s ASP 61 Ca 0.42 -0.55 0.07 0.00 0.18 0.00 0.00 52.55 52.67 2yuy s ASP 61 Cb 0.07 -2.58 -0.07 0.00 1.07 0.00 0.00 42.92 41.41 2yuy s ASP 61 CO -0.00 -4.51 -0.02 0.42 1.18 0.00 0.00 175.17 172.23 2yuy s THR 62 N 16.49 1.76 -0.05 -1.27 -4.23 -1.26 -4.99 115.64 122.09 2yuy s THR 62 Ca 0.86 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.22 2yuy s THR 62 Cb -0.08 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 2yuy s THR 62 CO 0.14 -0.13 -0.13 -0.38 -0.54 0.00 0.00 174.62 173.58 2yuy n ILE 63 N -0.75 0.85 -2.13 2.99 -0.00 -1.26 -4.85 119.36 114.20 2yuy n ILE 63 Ca -0.05 0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.97 2yuy n ILE 63 Cb 0.65 -1.77 0.00 0.00 -0.00 0.00 0.00 39.64 38.52 2yuy n ILE 63 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 2yuy n PHE 64 N -3.47 -4.57 -2.28 1.39 3.72 -1.26 -2.59 117.46 108.40 2yuy n PHE 64 Ca -0.05 2.75 -0.42 0.00 -0.05 0.00 0.00 57.45 59.67 2yuy n PHE 64 Cb 0.20 -3.45 -0.03 0.00 -0.94 0.00 0.00 39.48 35.26 2yuy n PHE 64 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2yuy s VAL 65 N -0.49 3.81 -0.11 -4.37 1.01 0.31 -3.15 120.40 117.40 2yuy s VAL 65 Ca 0.00 1.21 -0.09 0.00 0.00 0.00 0.00 61.98 63.10 2yuy s VAL 65 Cb 0.00 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2yuy s VAL 65 CO 0.00 0.01 0.20 0.50 0.00 0.00 0.00 175.10 175.82 2yuy h LYS 66 N 7.59 0.00 -4.92 2.72 3.64 -1.67 0.81 116.57 124.74 2yuy h LYS 66 Ca -0.38 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.54 2yuy h LYS 66 Cb 1.18 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 2yuy h LYS 66 CO 0.89 0.29 -0.53 -0.65 -2.27 0.00 0.00 179.45 177.18 2yuy s GLN 67 N -1.78 1.70 -0.25 1.90 -0.21 -1.26 -4.64 119.66 115.13 2yuy s GLN 67 Ca -0.06 -1.99 -0.04 0.00 0.02 0.00 0.00 55.36 53.28 2yuy s GLN 67 Cb -0.01 -0.09 0.14 0.00 1.00 0.00 0.00 33.01 34.05 2yuy s GLN 67 CO 0.21 -0.51 0.47 0.08 -2.12 0.00 0.00 175.29 173.42 2yuy s VAL 68 N -3.49 -0.75 0.13 1.09 1.01 -1.26 -3.07 120.40 114.06 2yuy s VAL 68 Ca 0.34 0.01 -0.32 0.00 0.00 0.00 0.00 61.98 62.02 2yuy s VAL 68 Cb 0.04 -0.84 -0.18 0.00 0.00 0.00 0.00 36.38 35.40 2yuy s VAL 68 CO 0.19 -0.03 0.71 1.17 0.00 0.00 0.00 175.10 177.14 2yuy n LYS 69 N 5.40 0.00 -2.95 2.72 4.81 -1.09 -4.82 118.16 122.22 2yuy n LYS 69 Ca -0.05 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.95 2yuy n LYS 69 Cb 0.50 -1.17 -0.04 0.00 0.02 0.00 0.00 35.03 34.35 2yuy n LYS 69 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2yuy s GLU 70 N -0.65 3.18 0.00 1.64 2.12 -1.26 -3.73 118.70 120.00 2yuy s GLU 70 Ca 0.73 -1.15 0.00 0.00 0.36 0.00 0.00 54.97 54.91 2yuy s GLU 70 Cb -1.04 -4.35 0.00 0.00 0.26 0.00 0.00 34.13 29.00 2yuy s GLU 70 CO 0.56 -1.73 0.00 0.41 -0.54 0.00 0.00 175.26 173.96 2yuy n GLY 71 N 5.32 1.68 0.00 -1.50 0.00 -1.26 -5.12 105.19 104.31 2yuy n GLY 71 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2yuy n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 72 N -0.50 7.08 0.06 -0.02 0.00 -1.24 -5.02 105.19 105.54 2yuy n GLY 72 Ca 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 2yuy n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy h PRO 73 N 0.00 -0.11 -0.99 1.61 0.13 -1.87 -2.83 132.00 127.94 2yuy h PRO 73 Ca 0.00 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.40 2yuy h PRO 73 Cb 0.00 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 30.97 2yuy h PRO 73 CO 0.00 -0.07 -0.01 0.00 -0.23 0.00 0.00 178.00 177.69 2yuy h ALA 74 N -1.70 1.11 0.13 -0.56 0.00 -1.82 1.45 119.26 117.87 2yuy h ALA 74 Ca -0.01 0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2yuy h ALA 74 Cb 0.08 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2yuy h ALA 74 CO 0.02 -0.55 -0.34 0.35 0.00 0.00 0.00 179.25 178.73 2yuy h PHE 75 N 0.00 -0.92 -0.31 0.00 3.57 -1.74 0.32 116.94 117.86 2yuy h PHE 75 Ca 0.59 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 62.07 2yuy h PHE 75 Cb 1.18 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 2yuy h PHE 75 CO -0.54 -0.44 0.05 0.93 -2.23 0.00 0.00 178.31 176.08 2yuy h GLU 76 N -0.57 0.52 -0.99 1.11 4.39 0.23 -2.22 114.58 117.06 2yuy h GLU 76 Ca 0.03 -0.14 0.29 0.00 0.34 0.00 0.00 59.36 59.87 2yuy h GLU 76 Cb 0.60 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 2yuy h GLU 76 CO -0.19 0.62 0.96 0.00 -1.16 0.00 0.00 179.01 179.23 2yuy h ALA 77 N 0.88 2.85 0.00 3.43 0.00 0.20 -3.43 119.26 123.20 2yuy h ALA 77 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2yuy h ALA 77 Cb 0.35 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2yuy h ALA 77 CO 0.01 -1.46 0.00 0.41 0.00 0.00 0.00 179.25 178.20 2yuy n GLY 78 N -1.68 1.10 2.49 0.00 0.00 -0.82 -4.77 105.19 101.50 2yuy n GLY 78 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 2yuy n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yuy n LEU 79 N 0.00 0.00 0.00 0.99 7.94 0.11 -5.01 117.00 121.03 2yuy n LEU 79 Ca 0.00 -0.81 0.00 0.00 -1.11 0.00 0.00 56.01 54.09 2yuy n LEU 79 Cb 0.00 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.23 2yuy n LEU 79 CO 0.00 -1.94 0.00 0.00 -1.11 0.00 0.00 177.39 174.34 2yuy s THR 81 N -3.00 4.90 0.00 0.00 -4.23 -1.26 -4.40 115.64 107.64 2yuy s THR 81 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2yuy s THR 81 Cb 0.00 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2yuy s THR 81 CO 0.00 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 2yuy n GLY 82 N 2.92 3.10 3.64 3.99 0.00 0.28 -4.93 105.19 114.18 2yuy n GLY 82 Ca -0.18 -0.98 -0.49 0.00 0.00 0.00 0.00 46.02 44.38 2yuy n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yuy n ASP 83 N 0.65 2.44 -4.87 1.61 8.00 -1.26 -4.17 116.55 118.95 2yuy n ASP 83 Ca 0.00 1.09 -0.34 0.00 0.71 0.00 0.00 54.79 56.25 2yuy n ASP 83 Cb 0.00 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 39.74 2yuy n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yuy s ARG 84 N 0.96 3.76 0.02 -1.24 1.70 -1.26 -0.53 118.95 122.36 2yuy s ARG 84 Ca 0.83 0.17 -0.26 0.00 -0.47 0.00 0.00 55.73 55.99 2yuy s ARG 84 Cb -0.82 -2.95 -0.05 0.00 -0.57 0.00 0.00 34.95 30.56 2yuy s ARG 84 CO 0.43 0.53 0.81 0.42 -1.08 0.00 0.00 175.30 176.42 2yuy s ILE 85 N -1.46 4.78 -0.10 4.99 -1.09 -1.26 -3.32 121.20 123.74 2yuy s ILE 85 Ca 0.35 1.72 0.04 0.00 -2.23 0.00 0.00 60.65 60.53 2yuy s ILE 85 Cb -0.14 -4.16 -0.09 0.00 -1.58 0.00 0.00 42.46 36.49 2yuy s ILE 85 CO 0.19 0.30 -0.04 2.30 -1.23 0.00 0.00 174.94 176.46 2yuy n ILE 86 N 3.17 0.64 -4.23 2.92 -5.35 0.22 -4.71 119.36 112.02 2yuy n ILE 86 Ca -0.00 -0.31 -0.13 0.00 -0.27 0.00 0.00 62.75 62.04 2yuy n ILE 86 Cb 0.50 -0.84 -0.10 0.00 -1.74 0.00 0.00 39.64 37.46 2yuy n ILE 86 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2yuy s LYS 87 N -2.23 1.11 -0.23 6.28 1.02 -1.14 -4.04 119.74 120.52 2yuy s LYS 87 Ca -0.11 -1.55 -0.07 0.00 0.02 0.00 0.00 55.97 54.27 2yuy s LYS 87 Cb 0.03 -0.15 0.11 0.00 -0.52 0.00 0.00 37.83 37.31 2yuy s LYS 87 CO 0.31 -0.19 0.47 0.08 -0.92 0.00 0.00 175.35 175.11 2yuy s VAL 88 N -3.76 -0.73 -1.12 3.17 1.01 -1.25 -2.77 120.40 114.94 2yuy s VAL 88 Ca 0.26 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 2yuy s VAL 88 Cb 0.07 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.74 2yuy s VAL 88 CO 0.05 0.03 0.34 0.59 0.00 0.00 0.00 175.10 176.11 2yuy n ASN 89 N 5.40 -3.33 -1.74 3.32 3.02 -0.68 0.20 115.26 121.45 2yuy n ASN 89 Ca -0.08 -0.22 -0.16 0.00 -0.03 0.00 0.00 54.58 54.09 2yuy n ASN 89 Cb 0.49 -2.80 -0.01 0.00 -0.61 0.00 0.00 39.78 36.85 2yuy n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuy n GLY 90 N -1.02 -0.10 3.09 7.41 0.00 -1.26 -4.96 105.19 108.35 2yuy n GLY 90 Ca -0.03 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2yuy n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuy s GLU 91 N -4.64 2.53 -0.47 1.61 -6.30 0.54 -5.04 118.70 106.93 2yuy s GLU 91 Ca 0.00 -2.52 -0.43 0.00 -2.50 0.00 0.00 54.97 49.52 2yuy s GLU 91 Cb 0.00 -3.71 -0.18 0.00 0.00 0.00 0.00 34.13 30.24 2yuy s GLU 91 CO 0.00 -1.17 1.72 0.43 0.02 0.00 0.00 175.26 176.26 2yuy n SER 92 N 3.49 0.93 -2.76 -1.70 7.64 -1.26 -3.81 113.62 116.16 2yuy n SER 92 Ca 0.08 0.89 -0.25 0.00 1.01 0.00 0.00 58.87 60.59 2yuy n SER 92 Cb 0.38 -0.83 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 2yuy n SER 92 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2yuy n VAL 93 N 4.80 3.47 -4.16 0.44 0.24 -1.26 -4.84 118.33 117.02 2yuy n VAL 93 Ca 0.39 -1.95 -0.34 0.00 -2.04 0.00 0.00 64.34 60.39 2yuy n VAL 93 Cb -0.05 -2.29 -0.12 0.00 -1.47 0.00 0.00 33.84 29.91 2yuy n VAL 93 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2yuy s ILE 94 N 1.87 4.01 -0.12 1.34 -1.09 -1.26 -4.33 121.20 121.62 2yuy s ILE 94 Ca 0.63 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 2yuy s ILE 94 Cb 0.22 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 38.30 2yuy s ILE 94 CO -0.03 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 2yuy n GLY 95 N 3.98 0.50 3.95 6.18 0.00 -1.26 -5.02 105.19 113.52 2yuy n GLY 95 Ca -0.17 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 2yuy n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuy s LYS 96 N -1.05 3.47 -0.60 1.61 1.02 -1.26 -5.04 119.74 117.89 2yuy s LYS 96 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 55.51 2yuy s LYS 96 Cb 0.00 -2.80 0.33 0.00 -0.52 0.00 0.00 37.83 34.84 2yuy s LYS 96 CO 0.00 0.32 0.96 -2.37 -0.92 0.00 0.00 175.35 173.35 2yuy n THR 97 N -1.40 3.14 0.00 2.17 5.66 -1.26 -4.98 114.28 117.61 2yuy n THR 97 Ca -0.07 -5.57 0.00 0.00 -3.05 0.00 0.00 64.05 55.36 2yuy n THR 97 Cb 0.56 -1.47 0.00 0.00 -1.55 0.00 0.00 70.33 67.87 2yuy n THR 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yuy n TYR 98 N -0.14 0.00 -0.59 1.09 9.36 -1.26 -3.45 117.16 122.18 2yuy n TYR 98 Ca 0.31 0.00 0.45 0.00 3.32 0.00 0.00 57.90 61.98 2yuy n TYR 98 Cb 0.39 0.00 0.70 0.00 -0.63 0.00 0.00 39.34 39.80 2yuy n TYR 98 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2yuy n SER 99 N 0.92 0.04 0.28 2.98 2.88 -1.26 0.17 113.62 119.63 2yuy n SER 99 Ca 0.00 0.94 -0.16 0.00 -1.33 0.00 0.00 58.87 58.32 2yuy n SER 99 Cb 0.00 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 62.91 2yuy n SER 99 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2yuy h GLN 100 N 0.00 -0.68 0.00 -1.46 1.08 -1.94 -1.81 115.11 110.31 2yuy h GLN 100 Ca 0.82 0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 58.04 2yuy h GLN 100 Cb 3.17 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 30.75 2yuy h GLN 100 CO -0.09 -0.40 -0.10 -0.39 -0.95 0.00 0.00 178.83 176.90 2yuy h VAL 101 N -0.83 1.04 -0.22 -0.54 -1.51 0.13 -2.01 116.25 112.32 2yuy h VAL 101 Ca -0.07 -0.36 0.02 0.00 -1.23 0.00 0.00 66.70 65.06 2yuy h VAL 101 Cb 0.59 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 2yuy h VAL 101 CO 0.12 0.10 0.10 0.40 -1.23 0.00 0.00 177.57 177.06 2yuy h ILE 102 N 0.00 0.98 -0.38 7.19 1.08 -0.68 -0.33 117.51 125.37 2yuy h ILE 102 Ca -0.00 -0.07 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 2yuy h ILE 102 Cb 0.19 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2yuy h ILE 102 CO 0.01 0.04 0.26 0.00 -0.69 0.00 0.00 178.15 177.77 2yuy h ALA 103 N 1.12 2.10 -0.22 1.87 0.00 -0.58 0.34 119.26 123.88 2yuy h ALA 103 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2yuy h ALA 103 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2yuy h ALA 103 CO -0.07 -0.19 -0.23 -0.07 0.00 0.00 0.00 179.25 178.69 2yuy h LEU 104 N 0.20 0.41 0.00 0.00 3.38 -0.91 1.57 115.31 119.95 2yuy h LEU 104 Ca 0.17 -0.13 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 2yuy h LEU 104 Cb 0.43 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2yuy h LEU 104 CO -0.03 0.65 -1.12 0.40 0.09 0.00 0.00 178.44 178.43 2yuy h ILE 105 N 0.37 1.49 0.00 1.22 2.04 0.35 0.11 117.51 123.09 2yuy h ILE 105 Ca 0.06 -2.90 -0.14 0.00 1.00 0.00 0.00 64.86 62.87 2yuy h ILE 105 Cb 0.61 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 2yuy h ILE 105 CO 0.04 0.85 -0.70 1.56 0.00 0.00 0.00 178.15 179.90 2yuy h GLN 106 N 0.11 0.00 -0.12 2.37 4.20 -0.22 -3.11 115.11 118.33 2yuy h GLN 106 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2yuy h GLN 106 Cb 1.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.60 2yuy h GLN 106 CO 0.18 0.65 0.00 0.27 -0.67 0.00 0.00 178.83 179.26 2yuy n ASN 107 N -3.25 2.90 0.08 1.46 0.23 0.53 -4.08 115.26 113.13 2yuy n ASN 107 Ca 0.01 -1.93 0.10 0.00 -0.53 0.00 0.00 54.58 52.22 2yuy n ASN 107 Cb 0.81 -0.07 0.41 0.00 -2.08 0.00 0.00 39.78 38.85 2yuy n ASN 107 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2yuy n SER 108 N 1.22 0.38 0.00 0.53 2.88 0.37 -4.98 113.62 114.03 2yuy n SER 108 Ca 0.16 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2yuy n SER 108 Cb 0.56 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yuy n ASP 109 N -1.93 0.00 0.26 -3.46 2.03 -1.26 -4.17 116.55 108.02 2yuy n ASP 109 Ca 0.02 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.18 2yuy n ASP 109 Cb 0.19 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.51 2yuy n ASP 109 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2yuy h THR 110 N 0.00 0.00 -4.42 5.18 2.02 -1.94 -3.43 112.91 110.32 2yuy h THR 110 Ca 0.00 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.69 2yuy h THR 110 Cb 0.00 0.00 0.09 0.00 -1.74 0.00 0.00 68.15 66.50 2yuy h THR 110 CO 0.00 0.00 0.38 0.42 0.37 0.00 0.00 175.52 176.69 2yuy s THR 111 N -5.45 3.11 -0.30 3.16 -4.23 -1.26 -0.94 115.64 109.74 2yuy s THR 111 Ca -0.15 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.66 2yuy s THR 111 Cb 0.04 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.78 2yuy s THR 111 CO 0.52 -0.47 0.64 -0.22 -0.54 0.00 0.00 174.62 174.54 2yuy s LEU 112 N -5.55 -1.25 -0.07 4.79 1.98 0.18 -4.65 118.68 114.11 2yuy s LEU 112 Ca 0.60 1.17 -0.12 0.00 -2.89 0.00 0.00 54.13 52.89 2yuy s LEU 112 Cb -0.12 2.20 -0.05 0.00 0.66 0.00 0.00 46.19 48.88 2yuy s LEU 112 CO 0.52 -0.24 0.29 -0.70 -1.89 0.00 0.00 176.35 174.34 2yuy s GLU 113 N 2.87 3.81 0.41 1.98 2.12 -1.26 0.27 118.70 128.91 2yuy s GLU 113 Ca 0.08 0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.61 2yuy s GLU 113 Cb -0.13 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2yuy s GLU 113 CO -0.20 0.64 0.06 -0.51 -0.54 0.00 0.00 175.26 174.71 2yuy s LEU 114 N -0.76 2.24 -0.26 2.70 1.43 0.49 -1.69 118.68 122.83 2yuy s LEU 114 Ca 0.19 -1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 51.63 2yuy s LEU 114 Cb -0.14 -0.45 0.10 0.00 0.03 0.00 0.00 46.19 45.73 2yuy s LEU 114 CO 0.08 -0.76 0.59 -0.44 0.23 0.00 0.00 176.35 176.05 2yuy s SER 115 N -3.66 -0.86 0.47 2.29 0.01 -1.12 -0.83 113.70 110.00 2yuy s SER 115 Ca 0.24 1.38 0.01 0.00 1.31 0.00 0.00 55.95 58.89 2yuy s SER 115 Cb 0.05 1.71 0.01 0.00 0.21 0.00 0.00 66.02 68.00 2yuy s SER 115 CO 0.12 -0.22 0.08 1.33 0.41 0.00 0.00 173.24 174.95 2yuy n VAL 116 N 5.00 0.00 -3.85 3.43 0.24 -1.12 0.72 118.33 122.75 2yuy n VAL 116 Ca -0.15 -2.15 -0.30 0.00 -2.04 0.00 0.00 64.34 59.70 2yuy n VAL 116 Cb 0.53 0.34 -0.15 0.00 -1.47 0.00 0.00 33.84 33.08 2yuy n VAL 116 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2yuy s MET 117 N -3.75 1.16 0.86 7.34 -1.94 -1.21 -2.42 119.30 119.33 2yuy s MET 117 Ca 0.06 -1.60 -0.12 0.00 -1.71 0.00 0.00 55.69 52.32 2yuy s MET 117 Cb -0.00 -2.58 0.11 0.00 2.01 0.00 0.00 34.83 34.37 2yuy s MET 117 CO 0.04 -1.00 1.12 -1.25 -0.01 0.00 0.00 175.02 173.92 2yuy s PRO 118 N 1.06 1.55 0.03 2.03 0.04 -1.26 -4.81 135.00 133.63 2yuy s PRO 118 Ca 0.12 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2yuy s PRO 118 Cb -0.19 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2yuy s PRO 118 CO -0.14 -1.95 0.00 1.17 0.04 0.00 0.00 177.00 176.12 2yuy n LYS 119 N -3.62 0.00 0.10 4.56 3.00 -1.26 -5.05 118.16 115.89 2yuy n LYS 119 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2yuy n LYS 119 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.58 2yuy n LYS 119 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2yuy n ASP 120 N -2.63 -0.88 -4.12 3.14 2.03 -1.26 -5.12 116.55 107.71 2yuy n ASP 120 Ca 0.00 0.36 -0.36 0.00 0.52 0.00 0.00 54.79 55.31 2yuy n ASP 120 Cb 0.02 0.98 0.07 0.00 -0.72 0.00 0.00 41.12 41.47 2yuy n ASP 120 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2yuy n SER 121 N -3.05 -3.99 0.00 1.67 3.41 -1.26 -4.87 113.62 105.53 2yuy n SER 121 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2yuy n SER 121 Cb 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 2yuy n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuy n GLY 122 N 2.88 1.13 3.80 5.00 0.00 -1.26 -5.01 105.19 111.74 2yuy n GLY 122 Ca 0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2yuy n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 123 N -0.02 3.72 -0.04 1.61 0.04 -1.26 -4.97 135.00 134.08 2yuy s PRO 123 Ca 0.00 1.31 0.09 0.00 0.04 0.00 0.00 61.00 62.45 2yuy s PRO 123 Cb 0.00 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 2yuy s PRO 123 CO 0.00 -0.49 0.16 -1.13 0.04 0.00 0.00 177.00 175.58 2yuy n SER 124 N -1.18 2.75 -3.80 6.66 3.41 -1.26 -5.00 113.62 115.21 2yuy n SER 124 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.57 2yuy n SER 124 Cb 0.53 1.22 -0.14 0.00 -0.26 0.00 0.00 64.21 65.56 2yuy n SER 124 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yuy s SER 125 N -3.45 -0.11 0.00 4.04 0.01 -1.26 -5.32 113.70 107.61 2yuy s SER 125 Ca -0.04 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2yuy s SER 125 Cb 0.05 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2yuy s SER 125 CO 0.40 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.57