#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 -6.84 -3.62 1.61 7.64 -1.26 -5.08 113.62 106.07 2yuy n SER 2 Ca 0.00 1.69 -0.09 0.00 1.01 0.00 0.00 58.87 61.48 2yuy n SER 2 Cb 0.00 -4.93 -0.06 0.00 -1.01 0.00 0.00 64.21 58.21 2yuy n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yuy s SER 3 N -0.56 -0.41 0.00 6.43 0.15 -1.26 -5.17 113.70 112.87 2yuy s SER 3 Ca -0.07 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2yuy s SER 3 Cb 0.00 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2yuy s SER 3 CO 0.18 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2yuy n GLY 4 N 1.72 1.57 3.15 9.45 0.00 -1.26 -5.08 105.19 114.74 2yuy n GLY 4 Ca -0.12 -2.08 0.04 0.00 0.00 0.00 0.00 46.02 43.86 2yuy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuy s SER 5 N 0.00 -1.60 -0.23 1.61 0.15 -1.26 -5.03 113.70 107.34 2yuy s SER 5 Ca 0.00 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.85 2yuy s SER 5 Cb 0.00 2.04 0.01 0.00 -1.71 0.00 0.00 66.02 66.36 2yuy s SER 5 CO 0.00 -0.29 0.09 -0.24 1.20 0.00 0.00 173.24 174.00 2yuy n SER 6 N 5.42 -7.41 0.00 5.45 2.88 -1.26 -5.01 113.62 113.69 2yuy n SER 6 Ca 0.05 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 2yuy n SER 6 Cb 0.54 -3.89 0.00 0.00 -0.75 0.00 0.00 64.21 60.11 2yuy n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuy n GLY 7 N 0.76 4.60 0.00 0.46 0.00 -1.26 -5.14 105.19 104.61 2yuy n GLY 7 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.80 0.91 3.81 -0.02 0.00 -1.26 -4.97 105.19 101.86 2yuy n GLY 8 Ca 0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 3.47 -0.06 1.61 0.04 -1.26 -4.84 135.00 133.96 2yuy s PRO 9 Ca 0.00 1.21 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 2yuy s PRO 9 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2yuy s PRO 9 CO 0.00 -0.69 0.06 0.21 0.04 0.00 0.00 177.00 176.62 2yuy s LYS 10 N -3.93 3.10 -0.02 4.56 2.47 -1.07 -5.04 119.74 119.81 2yuy s LYS 10 Ca 0.64 -0.38 0.04 0.00 -1.56 0.00 0.00 55.97 54.70 2yuy s LYS 10 Cb -0.15 -2.89 -0.01 0.00 -1.46 0.00 0.00 37.83 33.32 2yuy s LYS 10 CO 0.33 0.70 -0.14 0.99 0.16 0.00 0.00 175.35 177.39 2yuy s THR 11 N -1.03 1.17 -0.05 3.43 2.01 -1.26 -2.71 115.64 117.20 2yuy s THR 11 Ca 0.17 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 2yuy s THR 11 Cb -0.12 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.44 2yuy s THR 11 CO 0.07 0.34 0.10 0.68 -0.69 0.00 0.00 174.62 175.12 2yuy s VAL 12 N -0.16 -0.07 0.13 3.82 -7.23 -0.39 -5.00 120.40 111.50 2yuy s VAL 12 Ca 0.02 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2yuy s VAL 12 Cb -0.08 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.64 2yuy s VAL 12 CO 0.00 0.09 0.29 -0.89 -0.31 0.00 0.00 175.10 174.28 2yuy s THR 13 N 1.28 5.31 -0.04 5.32 2.01 -1.26 0.51 115.64 128.77 2yuy s THR 13 Ca -0.07 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 2yuy s THR 13 Cb -0.12 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.73 2yuy s THR 13 CO -0.05 -0.01 0.06 -0.76 -0.69 0.00 0.00 174.62 173.18 2yuy s LEU 14 N -2.93 0.23 -0.34 4.42 1.02 0.22 -4.56 118.68 116.75 2yuy s LEU 14 Ca 0.36 0.09 -0.13 0.00 0.02 0.00 0.00 54.13 54.47 2yuy s LEU 14 Cb -0.12 -0.11 -0.02 0.00 0.02 0.00 0.00 46.19 45.97 2yuy s LEU 14 CO 0.28 -0.24 0.24 -0.54 0.02 0.00 0.00 176.35 176.11 2yuy s LYS 15 N 2.05 3.50 -0.48 1.70 3.01 -1.26 0.20 119.74 128.46 2yuy s LYS 15 Ca 0.03 -0.64 -0.43 0.00 -1.01 0.00 0.00 55.97 53.93 2yuy s LYS 15 Cb -0.12 -3.80 -0.18 0.00 -1.01 0.00 0.00 37.83 32.72 2yuy s LYS 15 CO -0.03 -0.44 2.13 -2.13 0.51 0.00 0.00 175.35 175.39 2yuy n ARG 16 N 5.10 0.13 -0.17 1.68 0.63 -0.07 -4.69 116.66 119.28 2yuy n ARG 16 Ca -0.13 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 2yuy n ARG 16 Cb 0.50 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.79 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 6.50 0.00 -0.84 5.15 5.66 -1.26 -5.02 114.28 124.47 2yuy n THR 17 Ca 0.53 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.53 2yuy n THR 17 Cb -0.01 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 2yuy n THR 17 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2yuy n SER 18 N 0.00 0.00 -4.76 1.09 2.88 -1.26 -5.01 113.62 106.55 2yuy n SER 18 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2yuy n SER 18 Cb 0.56 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.96 2yuy n SER 18 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2yuy s GLN 19 N -0.36 4.22 -1.65 -1.46 -0.21 -1.26 -4.15 119.66 114.79 2yuy s GLN 19 Ca 0.00 0.50 -0.15 0.00 0.02 0.00 0.00 55.36 55.73 2yuy s GLN 19 Cb 0.00 -3.36 0.13 0.00 1.00 0.00 0.00 33.01 30.78 2yuy s GLN 19 CO 0.00 0.35 0.69 0.41 -2.12 0.00 0.00 175.29 174.62 2yuy n GLY 20 N 2.69 -0.39 4.28 3.09 0.00 -1.26 -0.40 105.19 113.19 2yuy n GLY 20 Ca -0.09 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.39 -1.07 0.00 1.61 3.72 -1.26 -2.85 117.46 113.22 2yuy n PHE 21 Ca -0.01 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 58.02 2yuy n PHE 21 Cb 0.53 -1.77 0.00 0.00 -0.94 0.00 0.00 39.48 37.30 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 -1.13 2.27 3.10 1.37 0.00 0.46 -3.53 105.19 107.72 2yuy n GLY 22 Ca 0.08 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.24 -3.82 1.61 -1.74 -1.13 -4.23 117.46 105.90 2yuy n PHE 23 Ca 0.00 -0.04 -0.08 0.00 -0.56 0.00 0.00 57.45 56.77 2yuy n PHE 23 Cb 0.00 -1.42 -0.03 0.00 1.52 0.00 0.00 39.48 39.55 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 -2.11 0.00 0.36 1.97 -1.32 -1.11 -4.66 115.64 108.76 2yuy s THR 24 Ca 0.44 -0.94 0.09 0.00 -1.21 0.00 0.00 61.69 60.07 2yuy s THR 24 Cb -0.08 -1.88 -0.07 0.00 -1.51 0.00 0.00 72.50 68.96 2yuy s THR 24 CO 0.44 -0.01 -0.06 -0.76 -2.21 0.00 0.00 174.62 172.02 2yuy s LEU 25 N -2.91 2.80 0.04 9.08 2.01 -1.26 -2.09 118.68 126.34 2yuy s LEU 25 Ca 0.12 -1.21 -0.28 0.00 0.01 0.00 0.00 54.13 52.76 2yuy s LEU 25 Cb -0.04 -1.02 0.10 0.00 0.01 0.00 0.00 46.19 45.24 2yuy s LEU 25 CO 0.04 -0.27 1.20 -0.60 1.01 0.00 0.00 176.35 177.73 2yuy s ARG 26 N -3.65 0.66 -0.10 1.70 3.52 -1.22 -4.82 118.95 115.03 2yuy s ARG 26 Ca 0.33 -0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.53 2yuy s ARG 26 Cb 0.04 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 2yuy s ARG 26 CO 0.17 -0.30 0.02 0.72 -0.81 0.00 0.00 175.30 175.10 2yuy n HIS 27 N -0.61 -1.48 -3.63 5.12 8.25 -1.26 -4.21 115.22 117.39 2yuy n HIS 27 Ca -0.05 0.71 -0.10 0.00 -0.26 0.00 0.00 57.72 58.03 2yuy n HIS 27 Cb 0.61 -2.40 -0.07 0.00 1.12 0.00 0.00 29.99 29.26 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 -0.50 -0.52 -0.23 4.41 -0.12 -1.26 -4.59 117.98 115.17 2yuy s PHE 28 Ca -0.03 1.25 -0.03 0.00 -0.05 0.00 0.00 56.93 58.07 2yuy s PHE 28 Cb 0.00 0.35 -0.13 0.00 -0.63 0.00 0.00 43.02 42.61 2yuy s PHE 28 CO 0.28 -0.26 -0.24 -0.89 -0.05 0.00 0.00 175.22 174.06 2yuy n ILE 29 N 2.22 1.30 -1.20 -4.49 5.41 -1.26 -5.10 119.36 116.24 2yuy n ILE 29 Ca -0.13 -0.44 0.14 0.00 1.00 0.00 0.00 62.75 63.32 2yuy n ILE 29 Cb 0.56 -1.49 -0.05 0.00 -0.71 0.00 0.00 39.64 37.95 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 -3.49 0.00 -3.15 1.39 0.31 -1.26 -4.75 118.33 107.37 2yuy n VAL 30 Ca -0.43 0.33 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 2yuy n VAL 30 Cb 0.89 -0.70 -0.04 0.00 -0.91 0.00 0.00 33.84 33.09 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 -3.67 0.97 -1.54 3.52 4.02 -1.26 -4.92 117.16 114.28 2yuy n TYR 31 Ca -0.03 -3.83 -0.29 0.00 -0.01 0.00 0.00 57.90 53.74 2yuy n TYR 31 Cb 0.64 -0.43 0.11 0.00 -0.02 0.00 0.00 39.34 39.64 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 1.65 0.44 -0.72 0.04 -1.26 -5.02 135.00 127.65 2yuy s PRO 32 Ca 0.41 0.48 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 2yuy s PRO 32 Cb 0.31 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.88 2yuy s PRO 32 CO -0.09 -1.89 1.05 -1.25 0.04 0.00 0.00 177.00 174.86 2yuy s PRO 33 N -5.21 4.00 0.36 0.56 0.04 -1.26 -5.03 135.00 128.45 2yuy s PRO 33 Ca 0.62 1.45 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 2yuy s PRO 33 Cb -0.15 -2.35 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 2yuy s PRO 33 CO 0.54 -0.28 0.81 -1.21 0.04 0.00 0.00 177.00 176.91 2yuy s GLU 34 N -2.82 4.10 -1.12 4.56 2.02 -1.26 -3.72 118.70 120.46 2yuy s GLU 34 Ca 0.62 0.84 -0.06 0.00 0.02 0.00 0.00 54.97 56.39 2yuy s GLU 34 Cb -0.20 -2.36 0.05 0.00 0.10 0.00 0.00 34.13 31.72 2yuy s GLU 34 CO 0.24 0.10 0.32 0.45 0.02 0.00 0.00 175.26 176.39 2yuy n SER 35 N -0.42 -3.49 -3.97 -0.19 2.88 -1.26 -4.91 113.62 102.26 2yuy n SER 35 Ca 0.05 -0.18 -0.31 0.00 -1.33 0.00 0.00 58.87 57.10 2yuy n SER 35 Cb 0.53 -2.93 -0.15 0.00 -0.75 0.00 0.00 64.21 60.91 2yuy n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy s ALA 36 N -2.77 2.32 0.60 -1.46 0.00 -1.24 -5.11 121.76 114.10 2yuy s ALA 36 Ca 0.27 -1.84 -0.20 0.00 0.00 0.00 0.00 51.96 50.19 2yuy s ALA 36 Cb -0.14 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 2yuy s ALA 36 CO 0.33 -1.40 1.24 -0.89 0.00 0.00 0.00 175.76 175.04 2yuy n ILE 37 N 4.51 4.25 -1.42 0.00 5.41 -1.26 -4.85 119.36 126.00 2yuy n ILE 37 Ca -0.06 -0.50 -0.44 0.00 1.00 0.00 0.00 62.75 62.74 2yuy n ILE 37 Cb 0.43 -1.47 -0.01 0.00 -0.71 0.00 0.00 39.64 37.87 2yuy n ILE 37 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2yuy n GLN 38 N -1.35 0.34 -3.64 0.38 7.27 -1.26 -4.98 117.38 114.14 2yuy n GLN 38 Ca 0.13 0.12 -0.10 0.00 0.07 0.00 0.00 57.00 57.22 2yuy n GLN 38 Cb 0.46 -1.25 -0.07 0.00 2.41 0.00 0.00 30.24 31.80 2yuy n GLN 38 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 2yuy s PHE 39 N -1.29 -0.56 0.38 3.69 0.08 -1.26 -5.18 117.98 113.84 2yuy s PHE 39 Ca 0.62 1.36 -0.14 0.00 0.12 0.00 0.00 56.93 58.88 2yuy s PHE 39 Cb -0.75 0.35 0.05 0.00 -0.57 0.00 0.00 43.02 42.10 2yuy s PHE 39 CO 0.59 -0.27 0.76 0.45 -0.10 0.00 0.00 175.22 176.64 2yuy s SER 40 N 0.35 0.11 -0.20 1.36 0.15 -1.26 -5.03 113.70 109.19 2yuy s SER 40 Ca 0.02 -1.19 -0.03 0.00 0.70 0.00 0.00 55.95 55.45 2yuy s SER 40 Cb -0.05 0.84 0.02 0.00 -1.71 0.00 0.00 66.02 65.11 2yuy s SER 40 CO -0.05 -1.66 2.55 0.00 1.20 0.00 0.00 173.24 175.28 2yuy n TYR 41 N -0.54 0.81 -3.40 3.44 4.11 -1.26 -4.88 117.16 115.45 2yuy n TYR 41 Ca -0.07 -1.61 -0.37 0.00 -0.00 0.00 0.00 57.90 55.84 2yuy n TYR 41 Cb 0.60 -1.08 -0.07 0.00 -0.00 0.00 0.00 39.34 38.79 2yuy n TYR 41 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2yuy s LYS 42 N -0.70 4.28 0.28 -3.48 2.36 -1.26 -4.89 119.74 116.33 2yuy s LYS 42 Ca 0.38 0.29 0.00 0.00 -2.55 0.00 0.00 55.97 54.08 2yuy s LYS 42 Cb 0.23 -3.46 0.00 0.00 -1.05 0.00 0.00 37.83 33.55 2yuy s LYS 42 CO -0.05 0.13 0.00 -0.25 1.55 0.00 0.00 175.35 176.73 2yuy n ASP 43 N 3.84 -3.50 -4.31 1.43 8.00 -1.26 -4.67 116.55 116.09 2yuy n ASP 43 Ca -0.09 0.67 -0.56 0.00 0.71 0.00 0.00 54.79 55.52 2yuy n ASP 43 Cb 0.52 -2.16 -0.12 0.00 -0.02 0.00 0.00 41.12 39.34 2yuy n ASP 43 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2yuy n GLU 44 N -2.94 0.08 -3.64 -1.24 0.00 -1.26 -4.81 120.64 106.83 2yuy n GLU 44 Ca -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 57.16 57.11 2yuy n GLU 44 Cb 0.30 -1.58 -0.03 0.00 0.00 0.00 0.00 31.44 30.13 2yuy n GLU 44 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2yuy s GLU 45 N 6.53 0.09 0.30 5.31 -6.30 -1.26 -5.17 118.70 118.19 2yuy s GLU 45 Ca 1.22 -0.02 0.05 0.00 -2.50 0.00 0.00 54.97 53.72 2yuy s GLU 45 Cb -1.41 0.04 -0.02 0.00 0.00 0.00 0.00 34.13 32.74 2yuy s GLU 45 CO 0.62 -0.04 0.44 -0.80 0.02 0.00 0.00 175.26 175.50 2yuy s ASN 46 N -1.74 6.15 0.00 -1.70 0.01 -1.26 -4.91 114.94 111.49 2yuy s ASN 46 Ca 0.10 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 2yuy s ASN 46 Cb -0.01 -1.61 0.00 0.00 0.41 0.00 0.00 41.25 40.04 2yuy s ASN 46 CO -0.04 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.89 2yuy n GLY 47 N -1.57 -0.57 2.31 0.66 0.00 -1.26 -4.88 105.19 99.88 2yuy n GLY 47 Ca -0.05 0.84 -0.06 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 -1.34 0.00 1.61 2.85 -1.26 -4.97 115.26 112.15 2yuy n ASN 48 Ca 0.00 -2.03 0.00 0.00 -0.11 0.00 0.00 54.58 52.44 2yuy n ASN 48 Cb 0.00 2.26 0.00 0.00 1.24 0.00 0.00 39.78 43.28 2yuy n ASN 48 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2yuy n ARG 49 N -0.34 0.00 0.00 1.20 3.00 -1.26 -4.88 116.66 114.39 2yuy n ARG 49 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.79 2yuy n ARG 49 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 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 0.00 1.92 0.00 -0.13 0.00 -1.26 -4.80 105.19 100.91 2yuy n GLY 50 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.55 2.55 -0.02 0.00 -1.26 -5.13 105.19 101.88 2yuy n GLY 51 Ca 0.00 0.63 -0.26 0.00 0.00 0.00 0.00 46.02 46.39 2yuy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuy s LYS 52 N 0.00 0.46 0.50 1.61 1.02 -1.26 -5.14 119.74 116.93 2yuy s LYS 52 Ca 0.00 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 2yuy s LYS 52 Cb 0.00 -1.12 0.10 0.00 -0.52 0.00 0.00 37.83 36.29 2yuy s LYS 52 CO 0.00 -1.15 0.69 1.04 -0.92 0.00 0.00 175.35 175.01 2yuy n GLN 53 N 4.47 0.06 -1.41 1.68 6.02 -1.26 -4.99 117.38 121.94 2yuy n GLN 53 Ca 0.06 -1.81 0.19 0.00 -0.01 0.00 0.00 57.00 55.43 2yuy n GLN 53 Cb 0.40 -0.48 -0.06 0.00 1.02 0.00 0.00 30.24 31.13 2yuy n GLN 53 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2yuy n ARG 54 N -2.29 -2.93 -1.02 -1.09 3.00 -1.26 -4.82 116.66 106.25 2yuy n ARG 54 Ca 0.11 2.04 -0.30 0.00 -0.01 0.00 0.00 57.85 59.69 2yuy n ARG 54 Cb 0.40 -3.55 0.15 0.00 0.00 0.00 0.00 32.46 29.46 2yuy n ARG 54 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2yuy s ASN 55 N -7.10 3.28 -0.45 0.55 -0.87 -1.26 -5.02 114.94 104.07 2yuy s ASN 55 Ca 0.00 1.73 0.04 0.00 -1.57 0.00 0.00 52.86 53.07 2yuy s ASN 55 Cb 0.00 -2.36 0.26 0.00 -0.02 0.00 0.00 41.25 39.13 2yuy s ASN 55 CO 0.00 -2.80 1.00 -2.11 -2.57 0.00 0.00 177.10 170.62 2yuy n ARG 56 N -4.01 0.67 -0.79 -0.60 -4.01 -1.26 -4.97 116.66 101.69 2yuy n ARG 56 Ca 0.08 -1.53 0.07 0.00 -1.04 0.00 0.00 57.85 55.44 2yuy n ARG 56 Cb 0.54 -1.14 0.37 0.00 -3.04 0.00 0.00 32.46 29.19 2yuy n ARG 56 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2yuy n LEU 57 N 1.42 5.32 -1.15 2.89 7.99 -1.26 -5.06 117.00 127.16 2yuy n LEU 57 Ca 0.07 -2.92 0.14 0.00 -0.01 0.00 0.00 56.01 53.29 2yuy n LEU 57 Cb 0.66 -0.65 -0.08 0.00 -0.11 0.00 0.00 43.42 43.24 2yuy n LEU 57 CO 0.00 0.65 -0.51 -0.62 -1.51 0.00 0.00 177.39 175.41 2yuy n GLU 58 N 0.42 -2.65 0.00 3.23 1.02 -1.26 -4.90 120.64 116.49 2yuy n GLU 58 Ca 0.26 2.17 0.00 0.00 -0.02 0.00 0.00 57.16 59.57 2yuy n GLU 58 Cb 1.12 -3.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 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 -3.87 0.00 -3.84 3.49 -0.04 -1.26 -5.09 135.00 124.39 2yuy n PRO 59 Ca -0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 2yuy n PRO 59 Cb 0.55 -0.12 0.01 0.00 -0.04 0.00 0.00 33.50 33.89 2yuy n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yuy s MET 60 N 0.00 2.06 0.12 0.54 0.23 -1.26 -5.15 119.30 115.85 2yuy s MET 60 Ca 0.00 -1.30 0.00 0.00 -1.03 0.00 0.00 55.69 53.36 2yuy s MET 60 Cb 0.00 0.61 0.00 0.00 -1.53 0.00 0.00 34.83 33.91 2yuy s MET 60 CO 0.00 -0.95 0.00 -3.47 -2.03 0.00 0.00 175.02 168.57 2yuy n ASP 61 N -1.07 -1.67 -4.34 -1.18 2.03 -1.26 -4.62 116.55 104.43 2yuy n ASP 61 Ca -0.06 0.35 -0.17 0.00 0.52 0.00 0.00 54.79 55.42 2yuy n ASP 61 Cb 0.60 -0.61 -0.10 0.00 -0.72 0.00 0.00 41.12 40.29 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 -3.82 1.00 -0.97 5.18 2.01 -1.26 -5.02 115.64 112.77 2yuy s THR 62 Ca 0.00 -2.03 -0.27 0.00 0.31 0.00 0.00 61.69 59.71 2yuy s THR 62 Cb 0.00 -2.43 -0.20 0.00 0.01 0.00 0.00 72.50 69.89 2yuy s THR 62 CO 0.00 -0.25 2.24 -0.63 -0.69 0.00 0.00 174.62 175.29 2yuy s ILE 63 N -3.44 3.01 -0.13 1.82 1.09 -1.26 -4.87 121.20 117.40 2yuy s ILE 63 Ca 0.30 -0.01 -0.07 0.00 -1.10 0.00 0.00 60.65 59.78 2yuy s ILE 63 Cb 0.06 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 2yuy s ILE 63 CO 0.10 -0.01 0.11 -0.36 -0.10 0.00 0.00 174.94 174.68 2yuy s PHE 64 N 16.40 3.48 0.56 3.97 0.40 -1.26 -2.08 117.98 139.45 2yuy s PHE 64 Ca 0.86 0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 57.41 2yuy s PHE 64 Cb -0.08 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.42 2yuy s PHE 64 CO 0.14 0.58 1.10 0.28 0.70 0.00 0.00 175.22 178.03 2yuy n VAL 65 N 2.40 3.61 -0.04 -0.44 0.31 -1.16 -3.46 118.33 119.56 2yuy n VAL 65 Ca -0.19 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.60 2yuy n VAL 65 Cb 0.54 -1.32 -0.04 0.00 -0.91 0.00 0.00 33.84 32.11 2yuy n VAL 65 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2yuy n LYS 66 N -0.88 1.43 -3.63 5.55 0.00 -0.89 -4.18 118.16 115.56 2yuy n LYS 66 Ca 0.12 0.02 -0.08 0.00 0.00 0.00 0.00 58.31 58.38 2yuy n LYS 66 Cb 0.45 -1.16 -0.02 0.00 0.00 0.00 0.00 35.03 34.30 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2yuy s GLN 67 N -2.16 1.26 -0.06 1.64 -0.21 -1.26 -5.02 119.66 113.85 2yuy s GLN 67 Ca -0.08 -0.60 -0.00 0.00 0.02 0.00 0.00 55.36 54.70 2yuy s GLN 67 Cb 0.02 0.49 0.03 0.00 1.00 0.00 0.00 33.01 34.55 2yuy s GLN 67 CO 0.22 -0.57 -0.02 0.08 -2.12 0.00 0.00 175.29 172.89 2yuy s VAL 68 N -3.51 0.46 0.01 1.09 1.01 -1.26 -2.77 120.40 115.43 2yuy s VAL 68 Ca 0.07 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2yuy s VAL 68 Cb -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 2yuy s VAL 68 CO -0.03 0.25 1.73 -0.75 0.00 0.00 0.00 175.10 176.29 2yuy s LYS 69 N 1.54 4.18 -0.77 2.72 2.47 -1.26 -4.88 119.74 123.73 2yuy s LYS 69 Ca -0.01 2.34 -0.25 0.00 -1.56 0.00 0.00 55.97 56.48 2yuy s LYS 69 Cb -0.13 -3.90 -0.03 0.00 -1.46 0.00 0.00 37.83 32.31 2yuy s LYS 69 CO -0.03 -0.84 1.87 -2.00 0.16 0.00 0.00 175.35 174.51 2yuy s GLU 70 N 3.69 2.64 0.00 4.03 -6.30 -1.26 -1.80 118.70 119.70 2yuy s GLU 70 Ca 0.77 0.09 0.00 0.00 -2.50 0.00 0.00 54.97 53.33 2yuy s GLU 70 Cb -0.38 -4.75 0.00 0.00 0.00 0.00 0.00 34.13 29.01 2yuy s GLU 70 CO 0.33 -3.02 0.00 0.41 0.02 0.00 0.00 175.26 173.00 2yuy n GLY 71 N 6.30 1.84 0.00 -1.50 0.00 -1.26 -5.13 105.19 105.44 2yuy n GLY 71 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.54 3.05 0.13 -0.02 0.00 -0.75 -5.01 105.19 102.06 2yuy n GLY 72 Ca 0.00 -2.11 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.21 -0.68 1.61 0.13 -1.87 -2.89 132.00 128.09 2yuy h PRO 73 Ca 0.00 0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.28 2yuy h PRO 73 Cb 0.00 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 31.08 2yuy h PRO 73 CO 0.00 0.12 0.14 0.00 -0.23 0.00 0.00 178.00 178.03 2yuy h ALA 74 N -0.63 0.83 -0.60 -0.56 0.00 -1.83 1.08 119.26 117.55 2yuy h ALA 74 Ca -0.02 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2yuy h ALA 74 Cb 0.43 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2yuy h ALA 74 CO 0.04 -0.33 0.21 0.35 0.00 0.00 0.00 179.25 179.52 2yuy h PHE 75 N 0.25 0.37 -0.01 0.00 3.57 -1.74 0.90 116.94 120.28 2yuy h PHE 75 Ca 0.37 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 2yuy h PHE 75 Cb 0.60 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2yuy h PHE 75 CO -0.27 0.09 -0.04 0.93 -2.23 0.00 0.00 178.31 176.79 2yuy h GLU 76 N 0.39 0.05 -0.66 1.11 4.39 -0.60 -2.98 114.58 116.28 2yuy h GLU 76 Ca 0.30 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.16 2yuy h GLU 76 Cb 0.38 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2yuy h GLU 76 CO -0.31 0.66 0.78 0.00 -1.16 0.00 0.00 179.01 178.98 2yuy h ALA 77 N 0.39 2.45 0.00 3.43 0.00 0.15 -3.43 119.26 122.25 2yuy h ALA 77 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2yuy h ALA 77 Cb 0.67 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2yuy h ALA 77 CO 0.01 -1.12 0.00 0.41 0.00 0.00 0.00 179.25 178.55 2yuy n GLY 78 N -1.58 1.10 3.77 0.00 0.00 -0.43 -4.82 105.19 103.23 2yuy n GLY 78 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 3.88 0.00 0.99 2.96 0.30 -4.98 118.68 121.84 2yuy s LEU 79 Ca 0.00 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 2yuy s LEU 79 Cb 0.00 -4.38 0.00 0.00 0.50 0.00 0.00 46.19 42.31 2yuy s LEU 79 CO 0.00 -1.16 0.00 0.00 -1.32 0.00 0.00 176.35 173.87 2yuy s THR 81 N -1.28 4.79 0.00 0.00 -4.23 -1.26 -4.33 115.64 109.33 2yuy s THR 81 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2yuy s THR 81 Cb 0.00 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.69 2yuy s THR 81 CO 0.00 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 2yuy n GLY 82 N 3.46 1.33 3.71 3.99 0.00 -1.26 -5.01 105.19 111.41 2yuy n GLY 82 Ca -0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2yuy n GLY 82 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2yuy n ASP 83 N 0.00 3.93 -4.91 1.61 5.68 -1.26 -4.67 116.55 116.93 2yuy n ASP 83 Ca 0.00 1.05 -0.29 0.00 -0.50 0.00 0.00 54.79 55.04 2yuy n ASP 83 Cb 0.00 -1.55 -0.04 0.00 -1.14 0.00 0.00 41.12 38.39 2yuy n ASP 83 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2yuy s ARG 84 N 1.49 3.61 -0.16 0.11 1.70 -1.26 -2.98 118.95 121.45 2yuy s ARG 84 Ca 0.77 -0.11 -0.19 0.00 -0.47 0.00 0.00 55.73 55.74 2yuy s ARG 84 Cb -0.52 -2.76 -0.04 0.00 -0.57 0.00 0.00 34.95 31.06 2yuy s ARG 84 CO 0.34 0.35 0.51 0.42 -1.08 0.00 0.00 175.30 175.84 2yuy s ILE 85 N -1.87 5.14 -0.07 4.99 -1.09 -0.88 -3.85 121.20 123.57 2yuy s ILE 85 Ca 0.42 0.98 0.02 0.00 -2.23 0.00 0.00 60.65 59.83 2yuy s ILE 85 Cb -0.11 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 2yuy s ILE 85 CO 0.27 0.25 -0.04 2.30 -1.23 0.00 0.00 174.94 176.49 2yuy n ILE 86 N 4.12 0.41 -4.05 2.92 -5.35 0.20 -4.76 119.36 112.85 2yuy n ILE 86 Ca -0.06 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.14 2yuy n ILE 86 Cb 0.51 -0.78 -0.08 0.00 -1.74 0.00 0.00 39.64 37.54 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 -2.14 1.10 0.00 6.28 3.01 -1.13 -3.25 119.74 123.60 2yuy s LYS 87 Ca -0.08 -1.31 0.00 0.00 -1.01 0.00 0.00 55.97 53.57 2yuy s LYS 87 Cb 0.02 0.33 0.00 0.00 -1.01 0.00 0.00 37.83 37.17 2yuy s LYS 87 CO 0.19 -0.37 0.00 0.28 0.51 0.00 0.00 175.35 175.95 2yuy n VAL 88 N -0.19 0.00 -1.93 3.17 0.31 -1.26 0.20 118.33 118.63 2yuy n VAL 88 Ca -0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.85 2yuy n VAL 88 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 2yuy n VAL 88 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2yuy n ASN 89 N 0.00 4.16 -1.88 4.52 3.02 -1.17 -3.98 115.26 119.94 2yuy n ASN 89 Ca 0.00 -2.88 -0.19 0.00 -0.03 0.00 0.00 54.58 51.49 2yuy n ASN 89 Cb 0.00 -1.66 -0.03 0.00 -0.61 0.00 0.00 39.78 37.48 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 4.19 0.39 2.74 7.41 0.00 -1.26 -4.98 105.19 113.68 2yuy n GLY 90 Ca 0.50 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 2yuy n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yuy n GLU 91 N -2.67 0.82 -3.71 1.61 2.13 -1.26 -5.12 120.64 112.43 2yuy n GLU 91 Ca -0.21 -2.33 -0.28 0.00 0.66 0.00 0.00 57.16 55.00 2yuy n GLU 91 Cb 0.65 0.04 -0.16 0.00 0.27 0.00 0.00 31.44 32.24 2yuy n GLU 91 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2yuy s SER 92 N -3.42 3.10 -0.59 4.31 0.01 -1.26 -4.02 113.70 111.83 2yuy s SER 92 Ca 0.33 -0.97 0.02 0.00 1.31 0.00 0.00 55.95 56.64 2yuy s SER 92 Cb -0.03 -0.60 0.41 0.00 0.21 0.00 0.00 66.02 66.01 2yuy s SER 92 CO 0.21 -0.34 1.56 1.33 0.41 0.00 0.00 173.24 176.41 2yuy n VAL 93 N 5.05 2.99 0.36 3.43 0.24 -1.20 -4.72 118.33 124.47 2yuy n VAL 93 Ca -0.08 -4.33 -0.14 0.00 -2.04 0.00 0.00 64.34 57.75 2yuy n VAL 93 Cb 0.46 -1.22 -0.07 0.00 -1.47 0.00 0.00 33.84 31.54 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 2.10 0.00 -0.25 1.34 2.04 -1.95 -3.31 117.51 117.48 2yuy h ILE 94 Ca 0.44 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 2yuy h ILE 94 Cb 0.70 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2yuy h ILE 94 CO 1.14 0.00 -0.00 0.61 0.00 0.00 0.00 178.15 179.90 2yuy n GLY 95 N -0.79 4.11 3.81 5.37 0.00 -1.26 -5.02 105.19 111.40 2yuy n GLY 95 Ca -0.12 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.85 2.41 0.27 1.61 1.02 -1.25 -4.99 119.74 115.95 2yuy s LYS 96 Ca 0.42 0.79 0.05 0.00 0.02 0.00 0.00 55.97 57.25 2yuy s LYS 96 Cb 0.34 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.69 2yuy s LYS 96 CO 0.08 -1.43 0.39 -0.08 -0.92 0.00 0.00 175.35 173.39 2yuy s THR 97 N -3.10 4.94 0.16 2.17 -1.32 -1.26 -4.95 115.64 112.28 2yuy s THR 97 Ca 0.60 -0.99 -0.21 0.00 -1.21 0.00 0.00 61.69 59.88 2yuy s THR 97 Cb -0.14 -3.74 0.06 0.00 -1.51 0.00 0.00 72.50 67.17 2yuy s THR 97 CO 0.55 -0.28 1.63 0.22 -2.21 0.00 0.00 174.62 174.53 2yuy h TYR 98 N 1.09 -0.57 -0.82 9.09 3.20 -1.99 0.10 116.97 127.07 2yuy h TYR 98 Ca -0.50 0.04 0.18 0.00 3.14 0.00 0.00 58.73 61.59 2yuy h TYR 98 Cb 1.24 0.30 -0.11 0.00 1.54 0.00 0.00 36.73 39.69 2yuy h TYR 98 CO 0.44 -0.30 0.32 1.03 -1.64 0.00 0.00 178.16 178.02 2yuy h SER 99 N -0.19 0.25 0.07 -2.11 0.87 -1.98 0.94 113.55 111.42 2yuy h SER 99 Ca 0.16 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2yuy h SER 99 Cb 0.44 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2yuy h SER 99 CO -0.43 0.03 -0.04 1.56 -0.53 0.00 0.00 176.83 177.43 2yuy h GLN 100 N 0.40 -0.10 -0.91 2.24 4.20 -1.42 -0.61 115.11 118.91 2yuy h GLN 100 Ca 0.48 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.42 2yuy h GLN 100 Cb 0.84 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.52 2yuy h GLN 100 CO -0.48 -0.07 0.43 -0.39 -0.67 0.00 0.00 178.83 177.65 2yuy h VAL 101 N -0.10 0.49 -0.31 -0.54 -1.51 -0.84 0.28 116.25 113.71 2yuy h VAL 101 Ca -0.01 -0.15 0.07 0.00 -1.23 0.00 0.00 66.70 65.38 2yuy h VAL 101 Cb 0.08 0.02 -0.07 0.00 -2.13 0.00 0.00 31.29 29.18 2yuy h VAL 101 CO 0.02 0.08 -0.21 0.40 -1.23 0.00 0.00 177.57 176.63 2yuy h ILE 102 N 0.43 0.43 -0.63 7.19 1.08 0.11 0.05 117.51 126.17 2yuy h ILE 102 Ca 0.57 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.05 2yuy h ILE 102 Cb 1.09 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 2yuy h ILE 102 CO -0.52 0.00 0.41 0.00 -0.69 0.00 0.00 178.15 177.35 2yuy h ALA 103 N 0.98 0.80 -0.37 1.87 0.00 0.11 0.12 119.26 122.76 2yuy h ALA 103 Ca 0.16 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2yuy h ALA 103 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2yuy h ALA 103 CO -0.41 0.20 0.48 -0.07 0.00 0.00 0.00 179.25 179.45 2yuy h LEU 104 N 0.83 0.00 0.01 0.00 3.38 0.82 1.46 115.31 121.81 2yuy h LEU 104 Ca 0.24 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.98 2yuy h LEU 104 Cb -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2yuy h LEU 104 CO -0.06 0.00 -1.25 0.40 0.09 0.00 0.00 178.44 177.62 2yuy h ILE 105 N 0.00 0.94 -0.29 1.22 2.04 0.30 -2.81 117.51 118.92 2yuy h ILE 105 Ca 0.18 -2.20 -0.00 0.00 1.00 0.00 0.00 64.86 63.83 2yuy h ILE 105 Cb 1.14 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 2yuy h ILE 105 CO -0.00 0.37 0.16 1.56 0.00 0.00 0.00 178.15 180.25 2yuy h GLN 106 N -0.91 0.39 -0.64 2.37 4.20 0.11 0.11 115.11 120.74 2yuy h GLN 106 Ca -0.33 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2yuy h GLN 106 Cb 1.35 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2yuy h GLN 106 CO -0.17 0.29 0.00 0.09 -0.67 0.00 0.00 178.83 178.36 2yuy n ASN 107 N -4.46 5.08 0.29 1.46 3.02 0.48 -4.32 115.26 116.82 2yuy n ASN 107 Ca 0.01 -2.59 0.17 0.00 -0.03 0.00 0.00 54.58 52.15 2yuy n ASN 107 Cb 0.09 -0.61 0.90 0.00 -0.61 0.00 0.00 39.78 39.54 2yuy n ASN 107 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2yuy h SER 108 N 4.11 0.00 0.00 6.41 4.64 -0.50 -3.48 113.55 124.73 2yuy h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yuy h SER 108 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2yuy h SER 108 CO 0.31 0.05 0.00 -0.67 -0.87 0.00 0.00 176.83 175.64 2yuy n ASP 109 N -3.37 0.00 -0.03 4.97 2.03 -1.26 -4.02 116.55 114.87 2yuy n ASP 109 Ca -0.02 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.21 2yuy n ASP 109 Cb 0.18 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.56 -2.22 5.18 2.02 -1.96 -3.43 112.91 113.07 2yuy h THR 110 Ca 0.00 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.70 2yuy h THR 110 Cb 0.00 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2yuy h THR 110 CO 0.00 0.00 -0.47 0.42 0.37 0.00 0.00 175.52 175.84 2yuy s THR 111 N -6.15 4.95 -0.18 3.16 -4.23 -1.26 -0.89 115.64 111.04 2yuy s THR 111 Ca -0.14 -1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2yuy s THR 111 Cb 0.11 -3.68 0.08 0.00 1.34 0.00 0.00 72.50 70.36 2yuy s THR 111 CO 0.68 -0.32 0.20 -0.22 -0.54 0.00 0.00 174.62 174.41 2yuy s LEU 112 N -3.88 -0.04 0.13 4.79 1.98 0.53 -4.64 118.68 117.53 2yuy s LEU 112 Ca 0.34 -0.19 -0.06 0.00 -2.89 0.00 0.00 54.13 51.33 2yuy s LEU 112 Cb -0.09 0.29 -0.06 0.00 0.66 0.00 0.00 46.19 46.99 2yuy s LEU 112 CO 0.27 -0.32 0.38 -0.70 -1.89 0.00 0.00 176.35 174.10 2yuy s GLU 113 N 2.30 3.65 0.20 1.98 2.12 -1.26 0.72 118.70 128.40 2yuy s GLU 113 Ca 0.05 -0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.35 2yuy s GLU 113 Cb -0.15 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 2yuy s GLU 113 CO -0.11 0.49 0.10 -0.51 -0.54 0.00 0.00 175.26 174.69 2yuy s LEU 114 N -2.49 1.42 -0.12 2.70 1.43 0.18 -3.03 118.68 118.78 2yuy s LEU 114 Ca 0.39 -1.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2yuy s LEU 114 Cb -0.12 0.26 0.05 0.00 0.03 0.00 0.00 46.19 46.40 2yuy s LEU 114 CO 0.23 -0.78 0.28 -0.55 0.23 0.00 0.00 176.35 175.76 2yuy s SER 115 N -3.18 -0.31 0.39 2.29 0.15 0.13 -1.26 113.70 111.91 2yuy s SER 115 Ca 0.35 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.63 2yuy s SER 115 Cb 0.07 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2yuy s SER 115 CO 0.10 -0.17 0.09 1.33 1.20 0.00 0.00 173.24 175.79 2yuy n VAL 116 N 4.21 0.00 -3.83 4.45 0.24 -1.10 0.58 118.33 122.89 2yuy n VAL 116 Ca -0.25 -2.10 -0.30 0.00 -2.04 0.00 0.00 64.34 59.65 2yuy n VAL 116 Cb 0.53 0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 33.40 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 -3.45 1.03 0.65 7.34 -1.94 -1.25 -2.58 119.30 119.10 2yuy s MET 117 Ca 0.12 -1.15 -0.13 0.00 -1.71 0.00 0.00 55.69 52.82 2yuy s MET 117 Cb 0.01 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.48 2yuy s MET 117 CO 0.09 -0.87 1.05 -1.25 -0.01 0.00 0.00 175.02 174.03 2yuy s PRO 118 N 1.46 3.12 0.28 2.03 0.04 -1.26 -4.80 135.00 135.86 2yuy s PRO 118 Ca 0.06 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 2yuy s PRO 118 Cb -0.18 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2yuy s PRO 118 CO -0.17 -0.96 0.32 0.15 0.04 0.00 0.00 177.00 176.38 2yuy s LYS 119 N -4.69 1.59 0.00 4.56 -0.14 -1.26 -4.89 119.74 114.91 2yuy s LYS 119 Ca 0.60 -1.70 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 2yuy s LYS 119 Cb -0.14 0.36 0.00 0.00 -1.68 0.00 0.00 37.83 36.37 2yuy s LYS 119 CO 0.48 -0.61 0.00 -3.47 -0.76 0.00 0.00 175.35 171.00 2yuy n ASP 120 N -0.92 0.00 0.00 2.83 -0.08 -1.26 -3.62 116.55 113.50 2yuy n ASP 120 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2yuy n ASP 120 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 2yuy n ASP 120 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2yuy n SER 121 N 2.21 0.00 -1.48 1.67 2.88 -1.26 -5.15 113.62 112.49 2yuy n SER 121 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 2yuy n SER 121 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2yuy n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuy n GLY 122 N 0.00 -2.71 3.58 0.46 0.00 -1.24 -4.25 105.19 101.04 2yuy n GLY 122 Ca 0.00 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.35 3.25 0.12 1.61 0.04 -1.26 -4.71 135.00 130.70 2yuy s PRO 123 Ca 0.00 -1.58 -0.26 0.00 0.04 0.00 0.00 61.00 59.21 2yuy s PRO 123 Cb 0.00 -5.39 0.07 0.00 0.04 0.00 0.00 34.50 29.22 2yuy s PRO 123 CO 0.00 -3.10 0.92 -1.12 0.04 0.00 0.00 177.00 173.74 2yuy s SER 124 N 5.35 -0.24 0.00 6.66 0.01 -1.26 -5.07 113.70 119.15 2yuy s SER 124 Ca 0.61 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2yuy s SER 124 Cb 0.02 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2yuy s SER 124 CO 0.10 -0.86 0.00 -0.24 0.41 0.00 0.00 173.24 172.65 2yuy n SER 125 N -0.41 0.00 0.00 2.44 2.88 -1.26 -4.86 113.62 112.40 2yuy n SER 125 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2yuy n SER 125 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 2yuy n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42