#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy n SER 2 N 0.00 -8.06 -3.60 1.61 7.64 -1.26 -4.98 113.62 104.98 2yuy n SER 2 Ca 0.00 1.44 -0.05 0.00 1.01 0.00 0.00 58.87 61.27 2yuy n SER 2 Cb 0.00 -5.02 -0.02 0.00 -1.01 0.00 0.00 64.21 58.16 2yuy n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yuy s SER 3 N -7.31 -0.14 -0.29 6.43 1.04 -1.26 -5.03 113.70 107.14 2yuy s SER 3 Ca 0.00 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 2yuy s SER 3 Cb 0.00 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 2yuy s SER 3 CO 0.00 -0.22 2.90 0.61 0.98 0.00 0.00 173.24 177.51 2yuy n GLY 4 N 0.03 3.84 1.99 7.32 0.00 -1.26 -4.84 105.19 112.27 2yuy n GLY 4 Ca -0.00 -1.52 -0.00 0.00 0.00 0.00 0.00 46.02 44.50 2yuy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuy n SER 5 N 1.32 -6.59 -4.32 1.61 7.64 -1.26 -4.89 113.62 107.12 2yuy n SER 5 Ca 0.43 1.28 -0.45 0.00 1.01 0.00 0.00 58.87 61.14 2yuy n SER 5 Cb 0.66 -3.99 -0.01 0.00 -1.01 0.00 0.00 64.21 59.86 2yuy n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yuy s SER 6 N -0.43 7.09 0.00 6.43 0.15 -1.26 -4.89 113.70 120.79 2yuy s SER 6 Ca -0.02 -3.44 0.00 0.00 0.70 0.00 0.00 55.95 53.19 2yuy s SER 6 Cb 0.00 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2yuy s SER 6 CO 0.07 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2yuy n GLY 7 N 2.91 -0.47 0.00 9.45 0.00 -1.26 -5.14 105.19 110.67 2yuy n GLY 7 Ca 0.22 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.96 3.14 3.76 -0.02 0.00 -1.26 -5.06 105.19 106.72 2yuy n GLY 8 Ca 0.00 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.34 4.62 0.17 1.61 0.04 -1.26 -4.93 135.00 131.91 2yuy s PRO 9 Ca 0.00 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 2yuy s PRO 9 Cb 0.00 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 2yuy s PRO 9 CO 0.00 0.22 0.63 0.21 0.04 0.00 0.00 177.00 178.09 2yuy s LYS 10 N -1.51 4.13 -0.01 4.56 2.47 -1.12 -5.02 119.74 123.24 2yuy s LYS 10 Ca 0.45 0.69 0.02 0.00 -1.56 0.00 0.00 55.97 55.57 2yuy s LYS 10 Cb -0.30 -2.95 -0.00 0.00 -1.46 0.00 0.00 37.83 33.11 2yuy s LYS 10 CO 0.39 0.47 -0.08 0.99 0.16 0.00 0.00 175.35 177.27 2yuy s THR 11 N -1.44 0.67 -0.03 3.43 2.01 -1.26 -2.68 115.64 116.34 2yuy s THR 11 Ca 0.39 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2yuy s THR 11 Cb -0.16 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.80 2yuy s THR 11 CO 0.20 0.20 0.01 0.68 -0.69 0.00 0.00 174.62 175.02 2yuy s VAL 12 N -0.06 0.11 -0.08 3.82 -7.23 -1.03 -4.97 120.40 110.96 2yuy s VAL 12 Ca 0.01 0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.27 2yuy s VAL 12 Cb -0.05 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.64 2yuy s VAL 12 CO -0.00 0.13 0.09 -0.89 -0.31 0.00 0.00 175.10 174.11 2yuy s THR 13 N 1.04 4.95 0.07 5.32 2.01 -1.26 0.07 115.64 127.85 2yuy s THR 13 Ca -0.10 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.86 2yuy s THR 13 Cb -0.13 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 2yuy s THR 13 CO -0.02 0.54 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.54 2yuy s LEU 14 N -1.20 2.28 -0.12 4.42 1.02 0.88 -4.38 118.68 121.58 2yuy s LEU 14 Ca 0.17 -0.62 -0.02 0.00 0.02 0.00 0.00 54.13 53.68 2yuy s LEU 14 Cb -0.12 -0.51 -0.03 0.00 0.02 0.00 0.00 46.19 45.55 2yuy s LEU 14 CO 0.07 -0.08 -0.06 -0.54 0.02 0.00 0.00 176.35 175.75 2yuy s LYS 15 N -1.76 3.32 -0.23 1.70 1.02 -1.26 0.19 119.74 122.71 2yuy s LYS 15 Ca -0.02 -0.56 -0.32 0.00 0.02 0.00 0.00 55.97 55.09 2yuy s LYS 15 Cb -0.10 -2.76 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 2yuy s LYS 15 CO 0.02 0.38 2.13 -2.13 -0.92 0.00 0.00 175.35 174.83 2yuy n ARG 16 N 3.09 1.69 -3.71 1.68 0.63 0.22 -4.81 116.66 115.45 2yuy n ARG 16 Ca -0.18 0.51 -0.21 0.00 -0.92 0.00 0.00 57.85 57.05 2yuy n ARG 16 Cb 0.53 -2.80 -0.18 0.00 0.45 0.00 0.00 32.46 30.46 2yuy n ARG 16 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2yuy s THR 17 N 6.91 0.07 -1.39 5.15 -1.32 -1.19 -4.86 115.64 119.01 2yuy s THR 17 Ca 1.02 0.32 -0.01 0.00 -1.21 0.00 0.00 61.69 61.81 2yuy s THR 17 Cb -0.62 -0.29 0.01 0.00 -1.51 0.00 0.00 72.50 70.09 2yuy s THR 17 CO 0.44 0.21 0.50 -1.20 -2.21 0.00 0.00 174.62 172.36 2yuy n SER 18 N 5.25 -0.63 0.00 8.08 7.64 -1.26 -3.11 113.62 129.58 2yuy n SER 18 Ca -0.04 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.88 2yuy n SER 18 Cb 0.50 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 60.41 2yuy n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuy n GLN 19 N -4.38 0.00 -0.34 1.43 6.02 -1.26 -4.80 117.38 114.06 2yuy n GLN 19 Ca -0.29 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.40 2yuy n GLN 19 Cb 0.68 0.00 0.28 0.00 1.02 0.00 0.00 30.24 32.22 2yuy n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yuy n GLY 20 N 0.00 -3.09 2.24 1.08 0.00 -1.18 -4.95 105.19 99.28 2yuy n GLY 20 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 -5.48 1.66 0.00 1.61 3.01 -1.26 -3.20 117.46 113.80 2yuy n PHE 21 Ca 0.08 -1.99 0.00 0.00 1.01 0.00 0.00 57.45 56.55 2yuy n PHE 21 Cb 0.57 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 2yuy n PHE 21 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2yuy n GLY 22 N -0.59 2.34 2.98 1.37 0.00 -1.26 -2.94 105.19 107.08 2yuy n GLY 22 Ca 0.23 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.72 -3.69 1.61 -1.74 -1.26 -3.13 117.46 105.53 2yuy n PHE 23 Ca 0.00 -0.82 -0.10 0.00 -0.56 0.00 0.00 57.45 55.97 2yuy n PHE 23 Cb 0.00 -1.03 -0.03 0.00 1.52 0.00 0.00 39.48 39.94 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 -2.48 0.01 0.56 1.97 -1.32 -1.04 -4.88 115.64 108.46 2yuy s THR 24 Ca 0.61 -0.65 0.06 0.00 -1.21 0.00 0.00 61.69 60.50 2yuy s THR 24 Cb -0.07 -1.55 0.06 0.00 -1.51 0.00 0.00 72.50 69.42 2yuy s THR 24 CO 0.48 -0.06 0.48 0.18 -2.21 0.00 0.00 174.62 173.49 2yuy n LEU 25 N -0.38 0.00 -4.48 9.08 7.99 -1.26 -1.54 117.00 126.41 2yuy n LEU 25 Ca -0.10 -2.82 -0.33 0.00 -0.01 0.00 0.00 56.01 52.75 2yuy n LEU 25 Cb 0.62 -0.11 -0.13 0.00 -0.11 0.00 0.00 43.42 43.70 2yuy n LEU 25 CO 0.15 -0.61 -0.40 -0.13 -1.51 0.00 0.00 177.39 174.89 2yuy s ARG 26 N -4.33 3.20 0.22 3.23 1.81 -1.26 -4.70 118.95 117.12 2yuy s ARG 26 Ca 0.36 -0.60 -0.26 0.00 -1.72 0.00 0.00 55.73 53.51 2yuy s ARG 26 Cb -0.03 -2.67 -0.16 0.00 -0.45 0.00 0.00 34.95 31.63 2yuy s ARG 26 CO 0.23 0.39 0.45 0.72 -0.68 0.00 0.00 175.30 176.41 2yuy n HIS 27 N 3.03 -0.68 -2.05 -0.53 8.25 -1.26 -4.80 115.22 117.18 2yuy n HIS 27 Ca -0.18 0.90 -0.41 0.00 -0.26 0.00 0.00 57.72 57.77 2yuy n HIS 27 Cb 0.53 -1.88 -0.02 0.00 1.12 0.00 0.00 29.99 29.73 2yuy n HIS 27 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2yuy s PHE 28 N -1.06 3.03 -0.72 4.41 -0.12 -1.26 -4.82 117.98 117.44 2yuy s PHE 28 Ca 0.62 1.15 -0.27 0.00 -0.05 0.00 0.00 56.93 58.38 2yuy s PHE 28 Cb -0.87 -3.77 -0.14 0.00 -0.63 0.00 0.00 43.02 37.61 2yuy s PHE 28 CO 0.55 -2.39 2.50 -0.89 -0.05 0.00 0.00 175.22 174.94 2yuy n ILE 29 N 1.87 -0.05 -1.27 -4.49 5.41 -1.26 -4.81 119.36 114.77 2yuy n ILE 29 Ca 0.05 -0.49 -0.41 0.00 1.00 0.00 0.00 62.75 62.90 2yuy n ILE 29 Cb 0.41 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 2yuy n ILE 29 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2yuy n VAL 30 N 7.76 0.49 -3.13 1.39 0.31 -1.26 -4.91 118.33 118.97 2yuy n VAL 30 Ca 0.50 -0.49 -0.23 0.00 -0.01 0.00 0.00 64.34 64.11 2yuy n VAL 30 Cb 0.34 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.22 2yuy n VAL 30 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2yuy n TYR 31 N -1.11 1.80 -2.18 3.52 4.02 -1.26 -5.02 117.16 116.92 2yuy n TYR 31 Ca 0.10 -3.88 -0.33 0.00 -0.01 0.00 0.00 57.90 53.78 2yuy n TYR 31 Cb 0.41 -0.45 -0.00 0.00 -0.02 0.00 0.00 39.34 39.28 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 -2.64 3.48 0.29 -0.72 0.04 -1.26 -5.02 135.00 129.18 2yuy s PRO 32 Ca 0.42 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 2yuy s PRO 32 Cb 0.28 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 2yuy s PRO 32 CO -0.10 -0.68 1.08 -1.25 0.04 0.00 0.00 177.00 176.10 2yuy s PRO 33 N -3.91 4.59 0.05 0.56 0.04 -1.26 -4.98 135.00 130.10 2yuy s PRO 33 Ca 0.64 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 2yuy s PRO 33 Cb -0.15 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.17 2yuy s PRO 33 CO 0.33 0.19 1.34 1.49 0.04 0.00 0.00 177.00 180.39 2yuy h GLU 34 N 3.66 -0.61 -4.79 4.56 4.22 -2.06 -3.41 114.58 116.16 2yuy h GLU 34 Ca -0.47 0.04 -0.62 0.00 0.08 0.00 0.00 59.36 58.40 2yuy h GLU 34 Cb 1.21 0.14 -0.35 0.00 0.50 0.00 0.00 28.75 30.25 2yuy h GLU 34 CO 0.66 -0.40 -0.84 0.45 -2.18 0.00 0.00 179.01 176.70 2yuy s SER 35 N -3.53 2.74 0.00 1.04 0.15 -1.26 -4.99 113.70 107.85 2yuy s SER 35 Ca -0.11 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2yuy s SER 35 Cb 0.03 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2yuy s SER 35 CO 0.37 -0.02 0.00 0.00 1.20 0.00 0.00 173.24 174.79 2yuy n ALA 36 N 4.57 0.00 -2.86 5.45 0.00 -1.26 -5.10 120.51 121.31 2yuy n ALA 36 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 2yuy n ALA 36 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00-11.01 -2.61 0.00 5.41 -1.26 -4.99 119.36 104.90 2yuy n ILE 37 Ca 0.00 0.95 -0.01 0.00 1.00 0.00 0.00 62.75 64.69 2yuy n ILE 37 Cb 0.00 -7.19 0.09 0.00 -0.71 0.00 0.00 39.64 31.83 2yuy n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yuy n GLN 38 N -0.22 0.92 -3.45 0.38 0.00 -1.26 -5.09 117.38 108.67 2yuy n GLN 38 Ca 0.11 -0.82 -0.21 0.00 0.00 0.00 0.00 57.00 56.07 2yuy n GLN 38 Cb 0.43 0.30 -0.12 0.00 0.00 0.00 0.00 30.24 30.85 2yuy n GLN 38 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 2yuy s PHE 39 N 0.09 -0.18 0.25 2.61 5.36 -1.26 -5.12 117.98 119.73 2yuy s PHE 39 Ca 0.06 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 2yuy s PHE 39 Cb 0.30 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 42.37 2yuy s PHE 39 CO -0.09 -0.87 0.00 0.43 -1.46 0.00 0.00 175.22 173.23 2yuy n SER 40 N 5.29 -7.05 0.00 6.13 7.64 -1.26 -4.85 113.62 119.52 2yuy n SER 40 Ca -0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2yuy n SER 40 Cb 0.45 -3.31 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 2yuy n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuy n TYR 41 N -3.44 0.00 -3.39 1.43 4.11 -1.26 -4.96 117.16 109.66 2yuy n TYR 41 Ca 0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.67 2yuy n TYR 41 Cb 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.74 2yuy n TYR 41 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2yuy s LYS 42 N -1.92 0.67 -0.11 -3.48 -0.14 -1.26 -5.11 119.74 108.39 2yuy s LYS 42 Ca 0.00 -1.31 -0.32 0.00 -1.36 0.00 0.00 55.97 52.97 2yuy s LYS 42 Cb 0.00 -1.08 0.12 0.00 -1.68 0.00 0.00 37.83 35.20 2yuy s LYS 42 CO 0.00 -1.25 1.12 0.34 -0.76 0.00 0.00 175.35 174.81 2yuy s ASP 43 N 0.99 -0.19 1.12 2.83 2.15 -1.26 -5.17 116.67 117.14 2yuy s ASP 43 Ca 0.21 -0.03 -0.18 0.00 0.43 0.00 0.00 52.55 52.98 2yuy s ASP 43 Cb -0.14 0.23 0.15 0.00 -0.30 0.00 0.00 42.92 42.85 2yuy s ASP 43 CO -0.04 -0.37 0.18 -0.62 -0.17 0.00 0.00 175.17 174.14 2yuy n GLU 44 N -0.19 -2.11 -3.83 4.34 4.71 -1.26 -5.04 120.64 117.27 2yuy n GLU 44 Ca -0.03 -0.61 -0.13 0.00 -0.01 0.00 0.00 57.16 56.38 2yuy n GLU 44 Cb 0.60 -1.67 -0.13 0.00 -1.01 0.00 0.00 31.44 29.23 2yuy n GLU 44 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2yuy s GLU 45 N -3.60 0.10 0.27 3.49 -1.05 -1.26 -5.03 118.70 111.62 2yuy s GLU 45 Ca 0.52 0.16 -0.30 0.00 -0.15 0.00 0.00 54.97 55.20 2yuy s GLU 45 Cb -0.10 0.01 -0.13 0.00 -0.44 0.00 0.00 34.13 33.46 2yuy s GLU 45 CO 0.56 -0.04 1.32 0.09 0.95 0.00 0.00 175.26 178.15 2yuy n ASN 46 N 3.23 2.55 0.02 0.83 4.13 -1.26 -4.90 115.26 119.85 2yuy n ASN 46 Ca -0.15 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.28 2yuy n ASN 46 Cb 0.58 -1.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.40 2yuy n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yuy n GLY 47 N 1.65 0.01 3.62 7.41 0.00 -1.26 -5.08 105.19 111.55 2yuy n GLY 47 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2yuy n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yuy n ASN 48 N -2.80 0.11 -1.47 1.61 3.02 -1.26 -4.74 115.26 109.72 2yuy n ASN 48 Ca 0.00 0.48 0.18 0.00 -0.03 0.00 0.00 54.58 55.22 2yuy n ASN 48 Cb 0.00 -1.43 -0.08 0.00 -0.61 0.00 0.00 39.78 37.66 2yuy n ASN 48 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2yuy n ARG 49 N -3.22 -3.32 0.00 3.52 1.74 -1.26 -5.05 116.66 109.08 2yuy n ARG 49 Ca 0.12 2.61 0.00 0.00 -0.77 0.00 0.00 57.85 59.81 2yuy n ARG 49 Cb 0.51 -3.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.04 2yuy n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yuy n GLY 50 N -4.38 -1.56 0.00 -0.13 0.00 -1.26 -5.10 105.19 92.76 2yuy n GLY 50 Ca -0.07 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.21 2.54 -0.02 0.00 -1.26 -5.05 105.19 101.62 2yuy n GLY 51 Ca 0.00 0.71 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 2yuy n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yuy n LYS 52 N 0.00 3.39 0.07 1.61 2.85 -1.26 -4.11 118.16 120.71 2yuy n LYS 52 Ca 0.00 -2.55 0.00 0.00 -1.05 0.00 0.00 58.31 54.71 2yuy n LYS 52 Cb 0.00 -3.01 0.00 0.00 -0.65 0.00 0.00 35.03 31.37 2yuy n LYS 52 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2yuy n GLN 53 N 4.57 0.00 -0.06 -1.58 7.27 -1.26 -4.99 117.38 121.33 2yuy n GLN 53 Ca 0.63 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.64 2yuy n GLN 53 Cb 0.31 -0.40 -0.02 0.00 2.41 0.00 0.00 30.24 32.54 2yuy n GLN 53 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2yuy n ARG 54 N -3.49 0.38 -1.68 3.69 0.63 -1.26 -5.12 116.66 109.81 2yuy n ARG 54 Ca 0.00 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2yuy n ARG 54 Cb 0.00 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 31.75 2yuy n ARG 54 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2yuy n ASN 55 N -4.01 -6.29 -4.76 6.15 5.15 -1.26 -4.92 115.26 105.32 2yuy n ASN 55 Ca -0.10 1.00 -0.39 0.00 -0.60 0.00 0.00 54.58 54.49 2yuy n ASN 55 Cb 0.38 -3.41 0.01 0.00 -0.53 0.00 0.00 39.78 36.23 2yuy n ASN 55 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2yuy s ARG 56 N -1.32 3.61 -1.19 1.20 3.00 -1.26 -4.89 118.95 118.10 2yuy s ARG 56 Ca 0.00 2.21 -0.20 0.00 -1.00 0.00 0.00 55.73 56.74 2yuy s ARG 56 Cb 0.00 -2.53 0.06 0.00 0.00 0.00 0.00 34.95 32.48 2yuy s ARG 56 CO 0.00 -0.80 1.62 -0.51 0.00 0.00 0.00 175.30 175.61 2yuy s LEU 57 N -2.92 3.74 0.69 -0.88 2.01 -1.26 -4.98 118.68 115.08 2yuy s LEU 57 Ca 0.63 -2.09 -0.13 0.00 0.01 0.00 0.00 54.13 52.56 2yuy s LEU 57 Cb -0.39 -2.57 0.01 0.00 0.01 0.00 0.00 46.19 43.25 2yuy s LEU 57 CO 0.49 -1.29 1.09 -1.61 1.01 0.00 0.00 176.35 176.04 2yuy s GLU 58 N 4.46 2.71 0.00 1.70 2.02 -1.26 -5.03 118.70 123.29 2yuy s GLU 58 Ca 0.51 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.74 2yuy s GLU 58 Cb 0.02 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.30 2yuy s GLU 58 CO 0.01 -1.30 0.08 -0.35 0.02 0.00 0.00 175.26 173.71 2yuy n PRO 59 N -2.81 0.00 -3.45 0.39 -0.04 -1.26 -4.98 135.00 122.84 2yuy n PRO 59 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.28 2yuy n PRO 59 Cb 0.53 -0.43 0.02 0.00 -0.04 0.00 0.00 33.50 33.58 2yuy n PRO 59 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2yuy n MET 60 N -0.30 -1.84 -0.04 0.54 2.81 -1.26 -4.96 117.12 112.07 2yuy n MET 60 Ca 0.00 1.35 -0.03 0.00 -1.81 0.00 0.00 57.70 57.21 2yuy n MET 60 Cb 0.00 -3.00 -0.01 0.00 -0.71 0.00 0.00 33.22 29.50 2yuy n MET 60 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2yuy n ASP 61 N -1.05 0.89 -3.82 7.83 2.03 -1.26 -5.08 116.55 116.09 2yuy n ASP 61 Ca -0.12 0.31 -0.11 0.00 0.52 0.00 0.00 54.79 55.39 2yuy n ASP 61 Cb 0.64 -0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 2yuy n ASP 61 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2yuy s THR 62 N -1.74 0.00 -0.13 5.18 2.01 -1.26 -5.08 115.64 114.62 2yuy s THR 62 Ca -0.10 -1.54 -0.13 0.00 0.31 0.00 0.00 61.69 60.23 2yuy s THR 62 Cb 0.01 -2.38 -0.10 0.00 0.01 0.00 0.00 72.50 70.05 2yuy s THR 62 CO 0.15 0.00 0.21 0.40 -0.69 0.00 0.00 174.62 174.69 2yuy h ILE 63 N 2.27 0.63 -3.96 1.82 5.03 -1.97 -3.50 117.51 117.83 2yuy h ILE 63 Ca -0.28 -1.53 0.00 0.00 -0.12 0.00 0.00 64.86 62.92 2yuy h ILE 63 Cb 1.25 1.25 0.00 0.00 -3.03 0.00 0.00 36.82 36.28 2yuy h ILE 63 CO 0.39 0.21 -0.94 0.49 -0.68 0.00 0.00 178.15 177.62 2yuy n PHE 64 N -4.66 -4.67 -1.97 1.37 3.01 -1.26 -4.42 117.46 104.87 2yuy n PHE 64 Ca -0.08 2.45 -0.30 0.00 1.01 0.00 0.00 57.45 60.53 2yuy n PHE 64 Cb 0.27 -3.64 0.03 0.00 -0.01 0.00 0.00 39.48 36.13 2yuy n PHE 64 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2yuy s VAL 65 N -2.62 3.93 0.00 -4.37 1.01 -0.20 -4.06 120.40 114.09 2yuy s VAL 65 Ca 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 2yuy s VAL 65 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2yuy s VAL 65 CO 0.00 -0.78 -0.09 1.17 0.00 0.00 0.00 175.10 175.40 2yuy n LYS 66 N -2.85 0.14 -4.18 2.72 4.81 -0.59 -3.95 118.16 114.26 2yuy n LYS 66 Ca 0.06 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.43 2yuy n LYS 66 Cb 0.56 -0.68 -0.09 0.00 0.02 0.00 0.00 35.03 34.84 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2yuy s GLN 67 N -2.02 1.30 -0.16 1.64 -0.21 -1.26 -4.68 119.66 114.26 2yuy s GLN 67 Ca -0.08 -1.62 -0.03 0.00 0.02 0.00 0.00 55.36 53.65 2yuy s GLN 67 Cb 0.01 0.30 0.05 0.00 1.00 0.00 0.00 33.01 34.38 2yuy s GLN 67 CO 0.12 -0.45 0.05 0.08 -2.12 0.00 0.00 175.29 172.97 2yuy s VAL 68 N -4.07 0.28 0.99 1.09 1.01 -1.26 -2.49 120.40 115.95 2yuy s VAL 68 Ca 0.37 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 2yuy s VAL 68 Cb 0.06 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.59 2yuy s VAL 68 CO 0.13 -0.15 -0.35 1.17 0.00 0.00 0.00 175.10 175.90 2yuy n LYS 69 N 5.15 -0.18 -3.58 2.72 4.81 -1.18 -4.89 118.16 121.00 2yuy n LYS 69 Ca -0.08 -0.04 -0.40 0.00 -0.87 0.00 0.00 58.31 56.92 2yuy n LYS 69 Cb 0.48 -1.36 -0.07 0.00 0.02 0.00 0.00 35.03 34.11 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 -2.69 2.91 0.00 1.64 2.12 -1.26 -4.34 118.70 117.08 2yuy s GLU 70 Ca 0.47 -2.47 0.00 0.00 0.36 0.00 0.00 54.97 53.33 2yuy s GLU 70 Cb -0.17 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 30.24 2yuy s GLU 70 CO 0.75 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 2yuy n GLY 71 N 3.72 1.94 0.00 -1.50 0.00 -1.26 -5.13 105.19 102.96 2yuy n GLY 71 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.46 4.54 0.12 -0.02 0.00 -1.26 -5.03 105.19 103.08 2yuy n GLY 72 Ca 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.23 -0.64 1.61 0.13 -1.88 -3.12 132.00 127.87 2yuy h PRO 73 Ca 0.00 0.02 0.11 0.00 -0.87 0.00 0.00 66.00 65.26 2yuy h PRO 73 Cb 0.00 0.05 -0.12 0.00 0.13 0.00 0.00 31.00 31.06 2yuy h PRO 73 CO 0.00 -0.15 -0.32 0.00 -0.23 0.00 0.00 178.00 177.30 2yuy h ALA 74 N -1.36 0.04 -0.89 -0.56 0.00 -1.83 0.50 119.26 115.16 2yuy h ALA 74 Ca -0.02 0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.32 2yuy h ALA 74 Cb 0.18 0.77 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 2yuy h ALA 74 CO 0.04 -0.64 0.20 0.35 0.00 0.00 0.00 179.25 179.20 2yuy h PHE 75 N -0.13 0.27 0.16 0.00 3.57 -1.79 -0.38 116.94 118.64 2yuy h PHE 75 Ca 0.26 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 2yuy h PHE 75 Cb 0.55 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2yuy h PHE 75 CO -0.65 -0.26 -0.08 0.93 -2.23 0.00 0.00 178.31 176.02 2yuy h GLU 76 N 0.15 -0.21 -1.90 1.11 4.39 -0.15 -3.05 114.58 114.92 2yuy h GLU 76 Ca 0.56 0.01 0.56 0.00 0.34 0.00 0.00 59.36 60.84 2yuy h GLU 76 Cb 1.16 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 2yuy h GLU 76 CO -0.71 0.22 1.36 0.00 -1.16 0.00 0.00 179.01 178.72 2yuy n ALA 77 N -2.52 1.83 0.00 3.43 0.00 0.97 -4.64 120.51 119.58 2yuy n ALA 77 Ca -0.08 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2yuy n ALA 77 Cb 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2yuy n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yuy n GLY 78 N -1.87 1.45 3.66 0.00 0.00 -0.48 -4.76 105.19 103.18 2yuy n GLY 78 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 2yuy n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yuy s LEU 79 N 0.00 1.13 0.00 0.99 2.96 -0.59 -5.02 118.68 118.15 2yuy s LEU 79 Ca 0.00 0.69 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 2yuy s LEU 79 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 2yuy s LEU 79 CO 0.00 -3.73 0.00 0.00 -1.32 0.00 0.00 176.35 171.30 2yuy s THR 81 N -2.74 4.90 0.00 0.00 -4.23 -1.26 -4.28 115.64 108.03 2yuy s THR 81 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2yuy s THR 81 Cb 0.00 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2yuy s THR 81 CO 0.00 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2yuy n GLY 82 N 3.08 2.93 3.68 3.99 0.00 -1.25 -5.03 105.19 112.58 2yuy n GLY 82 Ca -0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.52 -4.85 1.61 8.00 -1.26 -4.52 116.55 119.05 2yuy n ASP 83 Ca 0.00 1.03 -0.36 0.00 0.71 0.00 0.00 54.79 56.17 2yuy n ASP 83 Cb 0.00 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 39.58 2yuy n ASP 83 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2yuy s ARG 84 N 2.01 3.85 0.05 -1.24 0.52 -1.26 -1.04 118.95 121.84 2yuy s ARG 84 Ca 0.82 0.32 -0.26 0.00 -0.52 0.00 0.00 55.73 56.09 2yuy s ARG 84 Cb -0.61 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 31.70 2yuy s ARG 84 CO 0.40 0.63 0.80 0.42 0.02 0.00 0.00 175.30 177.56 2yuy s ILE 85 N -1.23 4.71 -0.01 1.52 -1.09 -1.26 -3.82 121.20 120.02 2yuy s ILE 85 Ca 0.28 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.41 2yuy s ILE 85 Cb -0.15 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.57 2yuy s ILE 85 CO 0.15 0.35 -0.01 2.30 -1.23 0.00 0.00 174.94 176.50 2yuy n ILE 86 N 2.87 0.06 -4.20 2.92 -5.35 0.70 -4.58 119.36 111.77 2yuy n ILE 86 Ca -0.01 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.32 2yuy n ILE 86 Cb 0.50 -0.55 -0.10 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.02 0.94 -0.17 6.28 1.02 -1.21 -4.02 119.74 120.56 2yuy s LYS 87 Ca -0.01 -1.41 -0.08 0.00 0.02 0.00 0.00 55.97 54.49 2yuy s LYS 87 Cb 0.00 -0.28 0.07 0.00 -0.52 0.00 0.00 37.83 37.10 2yuy s LYS 87 CO 0.02 -0.04 0.38 0.08 -0.92 0.00 0.00 175.35 174.88 2yuy s VAL 88 N -3.59 -0.24 -1.21 3.17 1.01 -0.95 -2.16 120.40 116.43 2yuy s VAL 88 Ca 0.16 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 2yuy s VAL 88 Cb 0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2yuy s VAL 88 CO -0.02 0.06 0.70 0.59 0.00 0.00 0.00 175.10 176.43 2yuy n ASN 89 N 4.69 -3.81 -2.04 3.32 3.02 0.10 0.25 115.26 120.80 2yuy n ASN 89 Ca -0.18 -0.99 -0.03 0.00 -0.03 0.00 0.00 54.58 53.35 2yuy n ASN 89 Cb 0.53 -3.39 -0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.74 -0.26 3.43 7.41 0.00 -1.26 -4.87 105.19 107.91 2yuy n GLY 90 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.11 3.32 -0.42 1.61 -6.30 0.14 -5.06 118.70 107.87 2yuy s GLU 91 Ca 0.00 -0.63 -0.28 0.00 -2.50 0.00 0.00 54.97 51.55 2yuy s GLU 91 Cb 0.00 -2.67 -0.00 0.00 0.00 0.00 0.00 34.13 31.45 2yuy s GLU 91 CO 0.00 0.30 1.61 -1.54 0.02 0.00 0.00 175.26 175.65 2yuy s SER 92 N 0.15 6.01 -0.59 -1.70 1.04 -1.26 -2.23 113.70 115.12 2yuy s SER 92 Ca -0.05 0.88 0.02 0.00 0.48 0.00 0.00 55.95 57.28 2yuy s SER 92 Cb -0.15 -2.53 0.41 0.00 0.10 0.00 0.00 66.02 63.85 2yuy s SER 92 CO 0.04 -1.69 1.58 1.33 0.98 0.00 0.00 173.24 175.48 2yuy n VAL 93 N 7.20 3.01 -0.02 5.02 0.24 -1.26 -4.69 118.33 127.84 2yuy n VAL 93 Ca 0.19 -4.27 -0.08 0.00 -2.04 0.00 0.00 64.34 58.14 2yuy n VAL 93 Cb 0.48 -1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 31.57 2yuy n VAL 93 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2yuy h ILE 94 N 2.06 0.78 -0.46 1.34 1.08 -1.89 -3.32 117.51 117.09 2yuy h ILE 94 Ca 0.45 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.49 2yuy h ILE 94 Cb 0.72 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.90 2yuy h ILE 94 CO 1.15 0.25 0.00 0.61 -0.69 0.00 0.00 178.15 179.47 2yuy n GLY 95 N 1.33 1.39 3.87 5.37 0.00 -1.26 -4.92 105.19 110.97 2yuy n GLY 95 Ca -0.06 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.39 3.77 0.20 1.61 1.02 -1.25 -5.08 119.74 118.62 2yuy s LYS 96 Ca 0.36 0.56 0.04 0.00 0.02 0.00 0.00 55.97 56.95 2yuy s LYS 96 Cb 0.19 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2yuy s LYS 96 CO 0.26 -0.15 0.33 -0.08 -0.92 0.00 0.00 175.35 174.80 2yuy s THR 97 N -2.54 5.28 0.54 2.17 -1.32 -1.26 -4.94 115.64 113.57 2yuy s THR 97 Ca 0.53 -0.82 0.30 0.00 -1.21 0.00 0.00 61.69 60.49 2yuy s THR 97 Cb -0.10 -3.81 0.46 0.00 -1.51 0.00 0.00 72.50 67.54 2yuy s THR 97 CO 0.35 -0.23 1.91 0.22 -2.21 0.00 0.00 174.62 174.66 2yuy h TYR 98 N 1.60 0.00 0.00 9.09 3.20 -1.97 1.49 116.97 130.39 2yuy h TYR 98 Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2yuy h TYR 98 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2yuy h TYR 98 CO 0.49 0.00 0.00 1.03 -1.64 0.00 0.00 178.16 178.04 2yuy h SER 99 N 0.00 0.00 0.00 -2.11 0.87 -2.00 -2.33 113.55 107.98 2yuy h SER 99 Ca 0.38 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2yuy h SER 99 Cb 1.54 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2yuy h SER 99 CO -0.00 0.00 -0.45 1.56 -0.53 0.00 0.00 176.83 177.41 2yuy h GLN 100 N 0.00 0.00 -0.91 2.24 4.20 0.17 -3.32 115.11 117.49 2yuy h GLN 100 Ca 0.00 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.96 2yuy h GLN 100 Cb 0.50 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 2yuy h GLN 100 CO 0.00 0.01 0.64 -0.39 -0.67 0.00 0.00 178.83 178.42 2yuy h VAL 101 N -1.00 0.58 0.23 -0.54 -1.51 -1.44 0.97 116.25 113.54 2yuy h VAL 101 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2yuy h VAL 101 Cb 0.45 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.04 2yuy h VAL 101 CO -0.00 0.02 -0.25 0.40 -1.23 0.00 0.00 177.57 176.51 2yuy h ILE 102 N 0.12 0.46 -0.96 7.19 1.08 -1.57 0.44 117.51 124.28 2yuy h ILE 102 Ca 0.45 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 65.04 2yuy h ILE 102 Cb 1.58 0.46 -0.08 0.00 -3.07 0.00 0.00 36.82 35.71 2yuy h ILE 102 CO -0.07 0.00 0.61 0.00 -0.69 0.00 0.00 178.15 178.01 2yuy h ALA 103 N 0.15 1.61 -0.59 1.87 0.00 -0.92 0.16 119.26 121.53 2yuy h ALA 103 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2yuy h ALA 103 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2yuy h ALA 103 CO -0.07 0.15 0.38 -0.07 0.00 0.00 0.00 179.25 179.65 2yuy h LEU 104 N 0.91 0.64 -1.21 0.00 3.38 -0.73 1.53 115.31 119.83 2yuy h LEU 104 Ca 0.47 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.36 2yuy h LEU 104 Cb 0.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2yuy h LEU 104 CO -0.24 0.46 -0.29 0.40 0.09 0.00 0.00 178.44 178.86 2yuy h ILE 105 N 0.77 1.25 0.00 1.22 2.04 0.13 -1.39 117.51 121.52 2yuy h ILE 105 Ca 0.23 -1.16 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 2yuy h ILE 105 Cb -0.04 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2yuy h ILE 105 CO -0.07 0.35 -0.56 1.56 0.00 0.00 0.00 178.15 179.43 2yuy h GLN 106 N 0.16 0.00 -0.63 2.37 4.20 0.67 -3.12 115.11 118.76 2yuy h GLN 106 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2yuy h GLN 106 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2yuy h GLN 106 CO 0.04 0.37 0.00 0.09 -0.67 0.00 0.00 178.83 178.67 2yuy n ASN 107 N -3.14 5.21 0.10 1.46 3.02 0.51 -4.32 115.26 118.10 2yuy n ASN 107 Ca 0.01 -2.80 0.08 0.00 -0.03 0.00 0.00 54.58 51.84 2yuy n ASN 107 Cb 0.71 -0.66 0.39 0.00 -0.61 0.00 0.00 39.78 39.60 2yuy n ASN 107 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2yuy n SER 108 N 0.61 0.37 0.00 6.41 3.41 -0.59 -4.84 113.62 118.99 2yuy n SER 108 Ca 0.25 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 2yuy n SER 108 Cb 1.08 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2yuy n ASP 109 N -1.97 0.00 -0.05 4.04 2.03 -1.26 -2.37 116.55 116.97 2yuy n ASP 109 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 2yuy n ASP 109 Cb 0.08 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.47 2yuy n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2yuy n THR 110 N 0.00 0.99 -3.72 5.18 -1.04 -1.26 -4.86 114.28 109.57 2yuy n THR 110 Ca 0.00 0.29 -0.22 0.00 -2.04 0.00 0.00 64.05 62.08 2yuy n THR 110 Cb 0.00 -2.11 -0.04 0.00 -1.82 0.00 0.00 70.33 66.36 2yuy n THR 110 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2yuy s THR 111 N -1.98 2.56 -0.20 12.58 -4.23 -1.00 -0.61 115.64 122.76 2yuy s THR 111 Ca -0.13 -1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 58.91 2yuy s THR 111 Cb 0.02 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.92 2yuy s THR 111 CO 0.19 -0.00 0.06 -0.22 -0.54 0.00 0.00 174.62 174.11 2yuy s LEU 112 N -4.07 0.96 0.17 4.79 1.98 0.51 -4.43 118.68 118.59 2yuy s LEU 112 Ca 0.46 -0.85 -0.13 0.00 -2.89 0.00 0.00 54.13 50.73 2yuy s LEU 112 Cb -0.01 -0.49 -0.07 0.00 0.66 0.00 0.00 46.19 46.28 2yuy s LEU 112 CO 0.26 -0.34 0.55 -0.70 -1.89 0.00 0.00 176.35 174.23 2yuy s GLU 113 N 1.94 3.93 0.08 1.98 2.12 -1.26 -0.08 118.70 127.40 2yuy s GLU 113 Ca 0.01 0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.78 2yuy s GLU 113 Cb -0.17 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 2yuy s GLU 113 CO -0.11 0.44 0.06 1.28 -0.54 0.00 0.00 175.26 176.38 2yuy n LEU 114 N 0.55 0.00 -3.64 2.70 4.77 0.11 -0.73 117.00 120.76 2yuy n LEU 114 Ca -0.04 -0.70 -0.07 0.00 -0.03 0.00 0.00 56.01 55.17 2yuy n LEU 114 Cb 0.52 0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.89 2yuy n LEU 114 CO 0.43 -0.12 0.69 -0.44 -1.33 0.00 0.00 177.39 176.62 2yuy s SER 115 N -1.52 -0.51 0.00 -1.43 0.01 -0.92 -2.47 113.70 106.87 2yuy s SER 115 Ca 0.08 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2yuy s SER 115 Cb 0.00 1.04 0.00 0.00 0.21 0.00 0.00 66.02 67.27 2yuy s SER 115 CO 0.06 -0.15 0.00 1.33 0.41 0.00 0.00 173.24 174.89 2yuy n VAL 116 N 2.91 0.00 -3.50 3.43 0.24 -1.09 -0.22 118.33 120.10 2yuy n VAL 116 Ca -0.15 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.92 2yuy n VAL 116 Cb 0.57 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.80 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 -0.13 0.21 0.26 7.34 -1.94 -1.25 -2.80 119.30 120.98 2yuy s MET 117 Ca 0.00 -0.21 -0.30 0.00 -1.71 0.00 0.00 55.69 53.47 2yuy s MET 117 Cb 0.00 -1.12 -0.09 0.00 2.01 0.00 0.00 34.83 35.63 2yuy s MET 117 CO 0.00 -0.90 1.09 -1.25 -0.01 0.00 0.00 175.02 173.95 2yuy s PRO 118 N 2.22 4.64 0.55 2.03 0.04 -1.26 -4.80 135.00 138.43 2yuy s PRO 118 Ca 0.08 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 2yuy s PRO 118 Cb -0.15 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.19 2yuy s PRO 118 CO -0.27 0.20 0.81 0.21 0.04 0.00 0.00 177.00 177.99 2yuy s LYS 119 N -1.20 2.76 0.12 4.56 2.20 -1.26 -5.00 119.74 121.92 2yuy s LYS 119 Ca 0.45 -0.41 -0.33 0.00 -0.36 0.00 0.00 55.97 55.33 2yuy s LYS 119 Cb -0.31 -2.41 -0.12 0.00 -1.51 0.00 0.00 37.83 33.48 2yuy s LYS 119 CO 0.39 -0.64 1.75 -0.25 -0.36 0.00 0.00 175.35 176.24 2yuy n ASP 120 N -2.40 3.66 -3.73 1.43 8.00 -1.26 -4.96 116.55 117.29 2yuy n ASP 120 Ca 0.05 1.02 -0.12 0.00 0.71 0.00 0.00 54.79 56.45 2yuy n ASP 120 Cb 0.59 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.13 2yuy n ASP 120 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2yuy s SER 121 N 2.16 -0.17 0.00 -2.24 0.15 -1.26 -5.12 113.70 107.21 2yuy s SER 121 Ca 0.82 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2yuy s SER 121 Cb -0.58 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2yuy s SER 121 CO 0.39 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2yuy n GLY 122 N 0.57 -1.37 0.18 9.45 0.00 -1.26 -4.79 105.19 107.97 2yuy n GLY 122 Ca -0.19 0.90 0.06 0.00 0.00 0.00 0.00 46.02 46.79 2yuy n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy h PRO 123 N 0.00 0.00 -5.37 1.61 0.13 -2.05 -3.45 132.00 122.87 2yuy h PRO 123 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.72 2yuy h PRO 123 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 2yuy h PRO 123 CO 0.00 0.37 -0.76 0.45 -0.23 0.00 0.00 178.00 177.83 2yuy s SER 124 N -6.37 1.88 -0.20 1.44 0.15 -1.26 -5.07 113.70 104.27 2yuy s SER 124 Ca 0.02 -0.77 -0.16 0.00 0.70 0.00 0.00 55.95 55.74 2yuy s SER 124 Cb 0.09 -0.06 -0.11 0.00 -1.71 0.00 0.00 66.02 64.24 2yuy s SER 124 CO 0.69 -0.14 -0.11 -1.20 1.20 0.00 0.00 173.24 173.69 2yuy n SER 125 N 0.71 1.88 0.00 5.45 7.64 -1.26 -5.16 113.62 122.88 2yuy n SER 125 Ca -0.17 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2yuy n SER 125 Cb 0.56 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2yuy n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64