#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy h SER 2 N 0.00 -0.93 -3.73 1.61 0.87 -2.09 -3.37 113.55 105.91 2yuy h SER 2 Ca 0.00 0.02 -0.63 0.00 -1.23 0.00 0.00 61.79 59.96 2yuy h SER 2 Cb 0.00 0.24 -0.41 0.00 -0.44 0.00 0.00 62.40 61.79 2yuy h SER 2 CO 0.00 -0.62 -0.64 -0.44 -0.53 0.00 0.00 176.83 174.60 2yuy s SER 3 N -4.26 4.29 0.00 6.23 0.01 -1.26 -5.01 113.70 113.70 2yuy s SER 3 Ca -0.18 -3.27 0.00 0.00 1.31 0.00 0.00 55.95 53.82 2yuy s SER 3 Cb 0.02 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2yuy s SER 3 CO 0.56 -0.18 0.74 0.61 0.41 0.00 0.00 173.24 175.38 2yuy n GLY 4 N 2.75 -3.28 0.71 3.44 0.00 -1.26 -4.92 105.19 102.63 2yuy n GLY 4 Ca 0.12 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -1.79 -1.23 -3.92 1.61 7.64 -1.26 -5.12 113.62 109.55 2yuy n SER 5 Ca 0.00 0.55 -0.23 0.00 1.01 0.00 0.00 58.87 60.21 2yuy n SER 5 Cb 0.00 1.45 -0.17 0.00 -1.01 0.00 0.00 64.21 64.48 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 -2.00 1.45 0.00 6.43 0.15 -1.26 -5.11 113.70 113.36 2yuy s SER 6 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2yuy s SER 6 Cb 0.00 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2yuy s SER 6 CO 0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2yuy n GLY 7 N 4.25 1.64 0.00 9.45 0.00 -1.26 -5.14 105.19 114.14 2yuy n GLY 7 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 4.76 -1.47 3.80 -0.02 0.00 -1.26 -5.16 105.19 105.85 2yuy n GLY 8 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.19 2.02 -0.19 1.61 0.04 -1.26 -5.05 135.00 130.98 2yuy s PRO 9 Ca 0.00 0.61 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 2yuy s PRO 9 Cb 0.00 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2yuy s PRO 9 CO 0.00 -1.66 -0.08 0.21 0.04 0.00 0.00 177.00 175.51 2yuy s LYS 10 N -5.17 3.35 0.20 4.56 2.20 -1.25 -5.07 119.74 118.57 2yuy s LYS 10 Ca 0.61 -0.66 0.10 0.00 -0.36 0.00 0.00 55.97 55.66 2yuy s LYS 10 Cb -0.14 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2yuy s LYS 10 CO 0.54 -0.07 -0.17 0.99 -0.36 0.00 0.00 175.35 176.29 2yuy s THR 11 N 1.10 2.75 -0.01 3.43 2.01 -1.26 -1.36 115.64 122.30 2yuy s THR 11 Ca 0.01 -1.94 -0.02 0.00 0.31 0.00 0.00 61.69 60.05 2yuy s THR 11 Cb -0.15 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.00 2yuy s THR 11 CO -0.02 -0.17 0.05 0.68 -0.69 0.00 0.00 174.62 174.47 2yuy s VAL 12 N -1.84 0.03 0.04 3.82 -7.23 0.46 -4.95 120.40 110.72 2yuy s VAL 12 Ca 0.24 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.28 2yuy s VAL 12 Cb -0.08 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.68 2yuy s VAL 12 CO 0.13 -0.12 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.71 2yuy s THR 13 N -0.34 2.61 0.02 5.32 2.01 -1.26 0.13 115.64 124.13 2yuy s THR 13 Ca -0.04 -1.23 0.05 0.00 0.31 0.00 0.00 61.69 60.78 2yuy s THR 13 Cb -0.03 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2yuy s THR 13 CO 0.00 0.35 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.36 2yuy s LEU 14 N -1.36 2.11 -0.31 4.42 1.02 -0.25 -4.47 118.68 119.84 2yuy s LEU 14 Ca 0.14 -0.40 -0.09 0.00 0.02 0.00 0.00 54.13 53.80 2yuy s LEU 14 Cb -0.10 -0.79 0.00 0.00 0.02 0.00 0.00 46.19 45.32 2yuy s LEU 14 CO 0.04 0.14 0.13 -0.54 0.02 0.00 0.00 176.35 176.14 2yuy s LYS 15 N -0.80 3.19 -0.48 1.70 -0.14 -1.26 0.38 119.74 122.32 2yuy s LYS 15 Ca 0.05 -0.81 -0.44 0.00 -1.36 0.00 0.00 55.97 53.42 2yuy s LYS 15 Cb -0.07 -3.50 -0.19 0.00 -1.68 0.00 0.00 37.83 32.39 2yuy s LYS 15 CO 0.01 -0.45 2.02 -2.13 -0.76 0.00 0.00 175.35 174.03 2yuy n ARG 16 N 4.94 0.11 -3.68 1.68 0.63 0.11 -4.85 116.66 115.59 2yuy n ARG 16 Ca -0.14 0.03 -0.34 0.00 -0.92 0.00 0.00 57.85 56.48 2yuy n ARG 16 Cb 0.48 -1.58 -0.07 0.00 0.45 0.00 0.00 32.46 31.74 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 5.96 2.78 0.00 5.15 5.66 -1.26 -4.89 114.28 127.69 2yuy n THR 17 Ca 0.48 -5.08 0.00 0.00 -3.05 0.00 0.00 64.05 56.40 2yuy n THR 17 Cb -0.02 -2.34 0.00 0.00 -1.55 0.00 0.00 70.33 66.42 2yuy n THR 17 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2yuy n SER 18 N 2.21 0.00 -3.85 1.09 7.64 -1.26 -4.73 113.62 114.73 2yuy n SER 18 Ca 0.22 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 2yuy n SER 18 Cb 0.37 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.47 2yuy n SER 18 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2yuy s GLN 19 N 0.00 0.55 0.00 1.43 0.74 -1.26 -5.10 119.66 116.02 2yuy s GLN 19 Ca 0.00 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.02 2yuy s GLN 19 Cb 0.00 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.34 2yuy s GLN 19 CO 0.00 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 2yuy n GLY 20 N 1.32 2.08 0.62 2.59 0.00 -1.26 -4.83 105.19 105.71 2yuy n GLY 20 Ca -0.22 0.18 -0.01 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 12.72 -0.96 -1.85 1.61 3.72 -1.26 -4.14 117.46 127.30 2yuy n PHE 21 Ca 0.00 -0.26 -0.36 0.00 -0.05 0.00 0.00 57.45 56.78 2yuy n PHE 21 Cb 0.00 0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.10 4.97 3.60 1.37 0.00 -1.26 -4.86 105.19 108.91 2yuy n GLY 22 Ca -0.01 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2yuy n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yuy s PHE 23 N -1.37 -0.02 0.15 1.61 -0.71 -1.26 -0.13 117.98 116.26 2yuy s PHE 23 Ca 0.55 0.00 -0.17 0.00 -1.04 0.00 0.00 56.93 56.27 2yuy s PHE 23 Cb 0.24 0.51 0.04 0.00 -1.21 0.00 0.00 43.02 42.60 2yuy s PHE 23 CO -0.13 -0.05 0.45 -0.08 -1.34 0.00 0.00 175.22 174.07 2yuy s THR 24 N -2.09 0.05 0.50 -4.49 -1.32 -1.00 -4.92 115.64 102.37 2yuy s THR 24 Ca 0.13 -0.57 0.06 0.00 -1.21 0.00 0.00 61.69 60.10 2yuy s THR 24 Cb 0.03 -1.26 0.01 0.00 -1.51 0.00 0.00 72.50 69.77 2yuy s THR 24 CO -0.04 -0.23 0.32 -0.76 -2.21 0.00 0.00 174.62 171.70 2yuy s LEU 25 N -2.82 2.85 -0.01 9.08 2.01 -1.26 0.20 118.68 128.73 2yuy s LEU 25 Ca 0.04 -1.18 0.05 0.00 0.01 0.00 0.00 54.13 53.05 2yuy s LEU 25 Cb 0.01 -1.32 -0.01 0.00 0.01 0.00 0.00 46.19 44.87 2yuy s LEU 25 CO -0.10 -0.90 -0.15 0.00 1.01 0.00 0.00 176.35 176.21 2yuy s ARG 26 N -4.14 1.26 -0.33 1.70 1.70 -1.24 -4.67 118.95 113.22 2yuy s ARG 26 Ca 0.35 -0.55 -0.08 0.00 -0.47 0.00 0.00 55.73 54.98 2yuy s ARG 26 Cb -0.01 -1.21 0.21 0.00 -0.57 0.00 0.00 34.95 33.37 2yuy s ARG 26 CO 0.21 0.33 1.10 -1.58 -1.08 0.00 0.00 175.30 174.27 2yuy s HIS 27 N -0.35 -0.29 -0.06 5.89 2.46 -1.26 -4.84 115.29 116.84 2yuy s HIS 27 Ca 0.06 -0.06 0.10 0.00 0.47 0.00 0.00 55.06 55.63 2yuy s HIS 27 Cb -0.06 0.06 -0.15 0.00 -0.13 0.00 0.00 32.58 32.30 2yuy s HIS 27 CO -0.01 -0.22 0.14 0.34 -2.47 0.00 0.00 174.74 172.52 2yuy n PHE 28 N 2.89 0.00 -0.34 3.88 7.35 -1.26 -4.64 117.46 125.34 2yuy n PHE 28 Ca 0.10 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.75 2yuy n PHE 28 Cb 0.65 -0.37 -0.01 0.00 0.35 0.00 0.00 39.48 40.10 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 -2.11 -0.50 -0.87 -2.13 5.41 -1.26 -4.85 119.36 113.05 2yuy n ILE 29 Ca -0.09 2.05 0.11 0.00 1.00 0.00 0.00 62.75 65.82 2yuy n ILE 29 Cb 0.54 -2.64 -0.03 0.00 -0.71 0.00 0.00 39.64 36.80 2yuy n ILE 29 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2yuy n VAL 30 N -5.20 0.00 0.00 1.39 3.14 -1.26 -4.96 118.33 111.43 2yuy n VAL 30 Ca 0.06 0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 2yuy n VAL 30 Cb 0.30 -0.35 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 2yuy n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2yuy n TYR 31 N -2.78 0.00 -2.12 1.45 0.18 -1.26 -5.05 117.16 107.58 2yuy n TYR 31 Ca -0.00 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.45 2yuy n TYR 31 Cb 0.60 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 2yuy n TYR 31 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 2yuy s PRO 32 N 0.00 3.43 0.00 -3.48 0.04 -1.26 -5.04 135.00 128.69 2yuy s PRO 32 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2yuy s PRO 32 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2yuy s PRO 32 CO 0.00 -0.72 0.15 -0.35 0.04 0.00 0.00 177.00 176.12 2yuy n PRO 33 N -1.91 0.00 0.00 0.56 -0.04 -1.26 -5.00 135.00 127.35 2yuy n PRO 33 Ca 0.08 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2yuy n PRO 33 Cb 0.53 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 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 -0.74 0.00 -2.27 0.54 1.02 -1.26 -4.97 120.64 112.97 2yuy n GLU 34 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2yuy n GLU 34 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 2yuy n GLU 34 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yuy n SER 35 N -2.18 1.97 -0.27 1.62 2.88 -1.26 -4.88 113.62 111.50 2yuy n SER 35 Ca 0.00 -2.40 0.06 0.00 -1.33 0.00 0.00 58.87 55.20 2yuy n SER 35 Cb 0.00 -0.42 0.20 0.00 -0.75 0.00 0.00 64.21 63.24 2yuy n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy h ALA 36 N 2.07 1.12 -0.65 -1.46 0.00 -1.96 -3.43 119.26 114.95 2yuy h ALA 36 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2yuy h ALA 36 Cb 1.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2yuy h ALA 36 CO 0.24 -0.19 0.00 -0.89 0.00 0.00 0.00 179.25 178.41 2yuy n ILE 37 N -4.97 0.00 -1.73 0.00 5.41 -1.26 -4.90 119.36 111.90 2yuy n ILE 37 Ca 0.15 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.90 2yuy n ILE 37 Cb 0.43 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.35 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 0.00 -2.77 -3.72 0.38 3.00 -1.26 -4.97 117.38 108.04 2yuy n GLN 38 Ca 0.00 2.24 -0.37 0.00 -0.01 0.00 0.00 57.00 58.87 2yuy n GLN 38 Cb 0.00 -2.78 -0.10 0.00 0.00 0.00 0.00 30.24 27.37 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 -0.32 3.44 -0.23 1.08 5.36 -1.26 -4.82 117.98 121.24 2yuy s PHE 39 Ca -0.01 -2.64 -0.04 0.00 -0.96 0.00 0.00 56.93 53.28 2yuy s PHE 39 Cb 0.00 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 2yuy s PHE 39 CO 0.02 -0.87 0.14 0.45 -1.46 0.00 0.00 175.22 173.50 2yuy n SER 40 N 3.71 -5.85 -4.88 6.13 2.88 -1.26 -5.02 113.62 109.34 2yuy n SER 40 Ca 0.06 0.72 -0.30 0.00 -1.33 0.00 0.00 58.87 58.01 2yuy n SER 40 Cb 0.39 -3.80 0.03 0.00 -0.75 0.00 0.00 64.21 60.08 2yuy n SER 40 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2yuy s TYR 41 N -1.40 3.48 0.21 0.66 5.04 -1.26 -5.03 117.35 119.06 2yuy s TYR 41 Ca 0.06 1.16 -0.30 0.00 -2.44 0.00 0.00 57.07 55.54 2yuy s TYR 41 Cb -0.02 -2.87 -0.08 0.00 0.35 0.00 0.00 41.96 39.34 2yuy s TYR 41 CO 0.50 -0.90 0.99 0.15 -1.34 0.00 0.00 175.55 174.95 2yuy s LYS 42 N -5.25 4.76 -0.31 4.97 -0.14 -1.26 -4.99 119.74 117.52 2yuy s LYS 42 Ca 0.56 1.56 -0.13 0.00 -1.36 0.00 0.00 55.97 56.60 2yuy s LYS 42 Cb -0.11 -3.29 0.19 0.00 -1.68 0.00 0.00 37.83 32.94 2yuy s LYS 42 CO 0.53 0.35 1.13 0.16 -0.76 0.00 0.00 175.35 176.75 2yuy s ASP 43 N -0.73 -0.12 -0.06 2.83 -4.77 -1.26 -5.16 116.67 107.41 2yuy s ASP 43 Ca 0.44 -0.03 -0.02 0.00 -3.30 0.00 0.00 52.55 49.63 2yuy s ASP 43 Cb -0.27 0.47 0.04 0.00 -1.09 0.00 0.00 42.92 42.08 2yuy s ASP 43 CO 0.33 -0.02 0.12 -1.61 0.70 0.00 0.00 175.17 174.70 2yuy s GLU 44 N 2.34 0.02 -0.01 2.11 8.01 -1.26 -4.99 118.70 124.92 2yuy s GLU 44 Ca 0.20 0.41 -0.00 0.00 0.01 0.00 0.00 54.97 55.60 2yuy s GLU 44 Cb 0.03 -0.28 0.00 0.00 -4.31 0.00 0.00 34.13 29.57 2yuy s GLU 44 CO -0.18 -0.24 0.00 -1.91 0.01 0.00 0.00 175.26 172.93 2yuy n GLU 45 N 4.78 -0.54 -4.05 1.61 2.13 -1.26 -5.00 120.64 118.31 2yuy n GLU 45 Ca -0.15 0.91 -0.09 0.00 0.66 0.00 0.00 57.16 58.49 2yuy n GLU 45 Cb 0.50 -1.09 -0.11 0.00 0.27 0.00 0.00 31.44 31.02 2yuy n GLU 45 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2yuy s ASN 46 N -0.85 0.54 0.00 4.31 0.01 -1.26 -5.13 114.94 112.56 2yuy s ASN 46 Ca -0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.42 2yuy s ASN 46 Cb 0.00 0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.78 2yuy s ASN 46 CO 0.03 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 2yuy n GLY 47 N 0.91 -0.63 2.99 0.66 0.00 -1.26 -5.00 105.19 102.87 2yuy n GLY 47 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 2yuy n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yuy s ASN 48 N -1.62 0.23 0.43 1.61 0.01 -1.26 -5.16 114.94 109.18 2yuy s ASN 48 Ca 0.00 0.53 0.05 0.00 -0.71 0.00 0.00 52.86 52.73 2yuy s ASN 48 Cb 0.00 0.55 -0.06 0.00 0.41 0.00 0.00 41.25 42.16 2yuy s ASN 48 CO 0.00 -0.22 0.02 -0.60 -1.51 0.00 0.00 177.10 174.79 2yuy s ARG 49 N 2.07 1.99 0.00 -0.60 3.52 -1.26 -5.15 118.95 119.51 2yuy s ARG 49 Ca -0.02 -2.17 0.00 0.00 -0.13 0.00 0.00 55.73 53.41 2yuy s ARG 49 Cb -0.12 -1.46 0.00 0.00 -1.56 0.00 0.00 34.95 31.82 2yuy s ARG 49 CO -0.08 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 2yuy n GLY 50 N -1.01 1.68 0.00 8.12 0.00 -1.26 -5.19 105.19 107.53 2yuy n GLY 50 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.63 5.84 2.83 -0.02 0.00 -1.26 -5.16 105.19 106.79 2yuy n GLY 51 Ca 0.00 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 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 0.34 0.60 -0.30 1.61 3.01 -1.26 -5.12 119.74 118.63 2yuy s LYS 52 Ca 0.00 0.03 -0.18 0.00 -1.01 0.00 0.00 55.97 54.81 2yuy s LYS 52 Cb 0.00 -0.80 0.19 0.00 -1.01 0.00 0.00 37.83 36.22 2yuy s LYS 52 CO 0.00 -0.18 1.23 -0.65 0.51 0.00 0.00 175.35 176.26 2yuy s GLN 53 N 1.36 0.12 -0.07 1.68 -0.21 -1.26 -5.16 119.66 116.12 2yuy s GLN 53 Ca -0.05 0.20 -0.03 0.00 0.02 0.00 0.00 55.36 55.51 2yuy s GLN 53 Cb -0.13 0.03 0.04 0.00 1.00 0.00 0.00 33.01 33.95 2yuy s GLN 53 CO -0.02 -0.02 0.15 1.03 -2.12 0.00 0.00 175.29 174.30 2yuy s ARG 54 N 0.93 0.05 0.00 2.91 0.52 -1.26 -4.97 118.95 117.13 2yuy s ARG 54 Ca -0.06 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 2yuy s ARG 54 Cb -0.03 -0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.20 2yuy s ARG 54 CO -0.11 -0.24 0.00 -1.71 0.02 0.00 0.00 175.30 173.26 2yuy n ASN 55 N 4.78 0.00 -4.77 0.23 5.15 -1.26 -5.13 115.26 114.25 2yuy n ASN 55 Ca -0.15 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.45 2yuy n ASN 55 Cb 0.51 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.69 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 0.00 4.63 0.12 1.20 6.06 -1.26 -5.07 118.95 124.64 2yuy s ARG 56 Ca 0.00 1.32 0.02 0.00 -2.50 0.00 0.00 55.73 54.57 2yuy s ARG 56 Cb 0.00 -2.99 0.02 0.00 0.06 0.00 0.00 34.95 32.04 2yuy s ARG 56 CO 0.00 0.39 0.15 1.28 -2.50 0.00 0.00 175.30 174.62 2yuy n LEU 57 N 0.94 0.00 -4.30 -0.88 7.99 -1.26 -5.15 117.00 114.34 2yuy n LEU 57 Ca -0.00 -0.53 -0.17 0.00 -0.01 0.00 0.00 56.01 55.30 2yuy n LEU 57 Cb 0.49 -0.08 -0.10 0.00 -0.11 0.00 0.00 43.42 43.63 2yuy n LEU 57 CO 0.46 -0.51 -0.43 -1.61 -1.51 0.00 0.00 177.39 173.80 2yuy s GLU 58 N -2.53 1.22 0.00 3.23 2.02 -1.26 -5.10 118.70 116.27 2yuy s GLU 58 Ca 0.12 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.57 2yuy s GLU 58 Cb -0.01 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 33.32 2yuy s GLU 58 CO 0.07 0.13 0.22 -0.35 0.02 0.00 0.00 175.26 175.36 2yuy n PRO 59 N -0.30 0.00 -3.71 0.39 -0.04 -1.26 -4.99 135.00 125.09 2yuy n PRO 59 Ca -0.09 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.63 2yuy n PRO 59 Cb 0.61 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.96 2yuy n PRO 59 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2yuy s MET 60 N -1.21 0.54 -0.70 0.54 -1.94 -1.26 -5.10 119.30 110.16 2yuy s MET 60 Ca 0.00 0.70 -0.00 0.00 -1.71 0.00 0.00 55.69 54.68 2yuy s MET 60 Cb 0.00 0.22 0.17 0.00 2.01 0.00 0.00 34.83 37.24 2yuy s MET 60 CO 0.00 -0.08 0.52 0.16 -0.01 0.00 0.00 175.02 175.61 2yuy s ASP 61 N 0.48 5.25 0.06 3.03 1.47 -1.26 -5.04 116.67 120.66 2yuy s ASP 61 Ca -0.02 -3.28 -0.05 0.00 1.18 0.00 0.00 52.55 50.38 2yuy s ASP 61 Cb -0.04 -1.81 -0.02 0.00 -0.34 0.00 0.00 42.92 40.71 2yuy s ASP 61 CO -0.02 -0.25 0.09 -0.89 0.68 0.00 0.00 175.17 174.77 2yuy s THR 62 N -0.68 0.17 -0.08 2.11 2.01 -1.26 -5.09 115.64 112.82 2yuy s THR 62 Ca 0.21 -1.37 -0.07 0.00 0.31 0.00 0.00 61.69 60.77 2yuy s THR 62 Cb -0.15 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 2yuy s THR 62 CO -0.07 -0.76 -0.13 -0.38 -0.69 0.00 0.00 174.62 172.59 2yuy n ILE 63 N 0.25 0.68 -2.40 1.82 2.08 -1.26 -4.97 119.36 115.55 2yuy n ILE 63 Ca -0.16 0.35 -0.01 0.00 0.56 0.00 0.00 62.75 63.49 2yuy n ILE 63 Cb 0.61 -1.90 -0.01 0.00 -0.75 0.00 0.00 39.64 37.59 2yuy n ILE 63 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2yuy n PHE 64 N -3.38 -3.54 -1.03 1.39 3.72 -1.25 -3.76 117.46 109.61 2yuy n PHE 64 Ca -0.05 2.09 -0.35 0.00 -0.05 0.00 0.00 57.45 59.10 2yuy n PHE 64 Cb 0.20 -3.13 0.10 0.00 -0.94 0.00 0.00 39.48 35.70 2yuy n PHE 64 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2yuy n VAL 65 N 1.91 0.91 -0.02 -4.37 0.31 0.21 -3.59 118.33 113.70 2yuy n VAL 65 Ca -0.09 -0.29 -0.06 0.00 -0.01 0.00 0.00 64.34 63.89 2yuy n VAL 65 Cb 0.14 -0.68 -0.02 0.00 -0.91 0.00 0.00 33.84 32.36 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 -1.21 0.19 -4.28 5.55 3.00 0.53 -2.84 118.16 119.09 2yuy n LYS 66 Ca 0.08 0.08 -0.15 0.00 -0.00 0.00 0.00 58.31 58.32 2yuy n LYS 66 Cb 0.52 -0.84 -0.10 0.00 0.00 0.00 0.00 35.03 34.61 2yuy n LYS 66 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2yuy s GLN 67 N -2.27 1.35 -0.23 1.64 1.03 -1.16 -4.74 119.66 115.27 2yuy s GLN 67 Ca -0.12 -1.72 -0.06 0.00 0.04 0.00 0.00 55.36 53.50 2yuy s GLN 67 Cb 0.03 -0.08 0.11 0.00 0.03 0.00 0.00 33.01 33.10 2yuy s GLN 67 CO 0.16 -0.33 0.46 0.08 -2.54 0.00 0.00 175.29 173.12 2yuy s VAL 68 N -3.89 -0.72 0.02 3.63 1.01 -1.26 -2.38 120.40 116.82 2yuy s VAL 68 Ca 0.38 0.08 -0.33 0.00 0.00 0.00 0.00 61.98 62.11 2yuy s VAL 68 Cb 0.08 -0.77 -0.12 0.00 0.00 0.00 0.00 36.38 35.56 2yuy s VAL 68 CO 0.13 0.02 1.81 1.17 0.00 0.00 0.00 175.10 178.23 2yuy n LYS 69 N 5.40 2.34 -2.13 2.72 0.00 0.82 -4.82 118.16 122.49 2yuy n LYS 69 Ca -0.07 0.85 -0.30 0.00 0.00 0.00 0.00 58.31 58.79 2yuy n LYS 69 Cb 0.50 -2.70 -0.05 0.00 0.00 0.00 0.00 35.03 32.78 2yuy n LYS 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2yuy s GLU 70 N 3.12 2.70 0.00 1.64 2.12 -1.26 -1.29 118.70 125.73 2yuy s GLU 70 Ca 0.87 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2yuy s GLU 70 Cb -0.63 -5.23 0.00 0.00 0.26 0.00 0.00 34.13 28.53 2yuy s GLU 70 CO 0.45 -3.58 0.00 0.41 -0.54 0.00 0.00 175.26 172.00 2yuy n GLY 71 N 6.11 0.90 0.00 -1.50 0.00 -1.26 -5.13 105.19 104.31 2yuy n GLY 71 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 -0.68 0.10 -0.02 0.00 -0.41 -4.85 105.19 99.32 2yuy n GLY 72 Ca 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.08 1.61 0.13 -1.86 -2.80 132.00 128.89 2yuy h PRO 73 Ca 0.00 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.18 2yuy h PRO 73 Cb 0.00 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.10 2yuy h PRO 73 CO 0.00 0.43 -0.26 0.00 -0.23 0.00 0.00 178.00 177.94 2yuy h ALA 74 N -0.18 -0.28 -0.44 -0.56 0.00 -1.84 0.41 119.26 116.36 2yuy h ALA 74 Ca -0.01 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2yuy h ALA 74 Cb 0.59 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2yuy h ALA 74 CO 0.02 -0.73 -0.29 0.35 0.00 0.00 0.00 179.25 178.59 2yuy h PHE 75 N -0.35 -0.79 0.27 0.00 3.57 -1.73 -0.39 116.94 117.52 2yuy h PHE 75 Ca 0.09 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2yuy h PHE 75 Cb 0.48 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 2yuy h PHE 75 CO -0.33 -0.36 -0.15 0.93 -2.23 0.00 0.00 178.31 176.17 2yuy h GLU 76 N -0.20 -0.38 -1.54 1.11 4.39 -1.11 -1.24 114.58 115.61 2yuy h GLU 76 Ca 0.20 0.03 0.45 0.00 0.34 0.00 0.00 59.36 60.37 2yuy h GLU 76 Cb 0.52 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 2yuy h GLU 76 CO -0.56 -0.26 1.23 0.00 -1.16 0.00 0.00 179.01 178.27 2yuy h ALA 77 N 0.32 3.45 0.00 3.43 0.00 0.72 -3.42 119.26 123.77 2yuy h ALA 77 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2yuy h ALA 77 Cb 0.32 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2yuy h ALA 77 CO 0.04 -2.03 0.00 0.41 0.00 0.00 0.00 179.25 177.67 2yuy n GLY 78 N -1.83 1.65 0.26 0.00 0.00 -0.47 -4.76 105.19 100.05 2yuy n GLY 78 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.24 -5.01 117.00 120.68 2yuy n LEU 79 Ca 0.00 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 2yuy n LEU 79 Cb 0.00 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 43.89 2yuy n LEU 79 CO 0.00 -0.56 0.00 0.00 -1.11 0.00 0.00 177.39 175.72 2yuy s THR 81 N -3.00 4.89 0.00 0.00 -4.23 -1.26 -4.33 115.64 107.71 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 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.64 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 3.42 2.08 3.63 3.99 0.00 -1.13 -4.96 105.19 112.23 2yuy n GLY 82 Ca -0.17 -0.22 -0.48 0.00 0.00 0.00 0.00 46.02 45.16 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 0.12 2.35 -4.77 1.61 9.92 -1.26 -4.28 116.55 120.24 2yuy n ASP 83 Ca 0.00 1.11 -0.37 0.00 -0.53 0.00 0.00 54.79 55.00 2yuy n ASP 83 Cb 0.00 -1.32 -0.06 0.00 -0.64 0.00 0.00 41.12 39.09 2yuy n ASP 83 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2yuy s ARG 84 N 0.42 4.14 0.14 -1.24 3.52 -1.26 0.65 118.95 125.32 2yuy s ARG 84 Ca 0.78 0.32 -0.27 0.00 -0.13 0.00 0.00 55.73 56.44 2yuy s ARG 84 Cb -0.79 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.18 2yuy s ARG 84 CO 0.44 0.39 0.84 0.42 -0.81 0.00 0.00 175.30 176.59 2yuy s ILE 85 N -0.08 4.42 -0.07 4.11 -1.09 -1.26 -3.51 121.20 123.73 2yuy s ILE 85 Ca 0.22 1.84 0.03 0.00 -2.23 0.00 0.00 60.65 60.51 2yuy s ILE 85 Cb -0.15 -4.21 -0.06 0.00 -1.58 0.00 0.00 42.46 36.46 2yuy s ILE 85 CO 0.09 0.44 -0.02 2.30 -1.23 0.00 0.00 174.94 176.52 2yuy n ILE 86 N 2.10 0.43 -4.19 2.92 -5.35 0.23 -4.56 119.36 110.94 2yuy n ILE 86 Ca -0.03 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.12 2yuy n ILE 86 Cb 0.49 -0.81 -0.10 0.00 -1.74 0.00 0.00 39.64 37.48 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 -2.15 0.96 -0.19 6.28 1.02 -1.20 -3.08 119.74 121.38 2yuy s LYS 87 Ca -0.07 -1.44 -0.06 0.00 0.02 0.00 0.00 55.97 54.43 2yuy s LYS 87 Cb 0.02 -0.13 0.09 0.00 -0.52 0.00 0.00 37.83 37.29 2yuy s LYS 87 CO 0.22 -0.12 0.38 0.08 -0.92 0.00 0.00 175.35 174.98 2yuy s VAL 88 N -3.73 -0.59 -1.28 3.17 1.01 -1.15 -2.85 120.40 114.98 2yuy s VAL 88 Ca 0.19 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 2yuy s VAL 88 Cb 0.06 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2yuy s VAL 88 CO 0.00 0.06 0.58 0.59 0.00 0.00 0.00 175.10 176.33 2yuy n ASN 89 N 5.38 -2.89 -1.56 3.32 3.02 0.63 0.17 115.26 123.32 2yuy n ASN 89 Ca -0.07 -1.10 -0.12 0.00 -0.03 0.00 0.00 54.58 53.25 2yuy n ASN 89 Cb 0.50 -2.72 -0.04 0.00 -0.61 0.00 0.00 39.78 36.90 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 -1.96 0.82 2.83 7.41 0.00 -1.26 -4.86 105.19 108.18 2yuy n GLY 90 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2yuy n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuy s GLU 91 N -3.41 2.12 0.04 1.61 0.41 0.45 -5.08 118.70 114.85 2yuy s GLU 91 Ca 0.00 -3.00 -0.38 0.00 -0.41 0.00 0.00 54.97 51.18 2yuy s GLU 91 Cb 0.00 -3.09 -0.19 0.00 -1.78 0.00 0.00 34.13 29.07 2yuy s GLU 91 CO 0.00 -1.27 0.97 -1.13 -0.49 0.00 0.00 175.26 173.35 2yuy n SER 92 N 2.35 -0.21 0.13 -0.19 3.41 -1.26 -2.95 113.62 114.88 2yuy n SER 92 Ca 0.18 1.15 0.02 0.00 -0.26 0.00 0.00 58.87 59.97 2yuy n SER 92 Cb 0.36 -0.93 0.39 0.00 -0.26 0.00 0.00 64.21 63.77 2yuy n SER 92 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2yuy h VAL 93 N 2.62 1.18 -0.71 -3.33 -1.51 -1.87 -3.43 116.25 109.21 2yuy h VAL 93 Ca -0.47 -0.80 -0.72 0.00 -1.23 0.00 0.00 66.70 63.49 2yuy h VAL 93 Cb 1.43 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.80 2yuy h VAL 93 CO 0.64 0.25 1.32 -0.38 -1.23 0.00 0.00 177.57 178.17 2yuy n ILE 94 N -4.27 0.12 0.00 7.19 -0.00 -1.26 0.12 119.36 121.26 2yuy n ILE 94 Ca -0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 2yuy n ILE 94 Cb 0.27 -1.15 0.00 0.00 -0.00 0.00 0.00 39.64 38.77 2yuy n ILE 94 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2yuy n GLY 95 N 6.68 1.10 3.49 7.39 0.00 -1.26 -5.10 105.19 117.48 2yuy n GLY 95 Ca 0.45 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.46 1.69 -0.60 1.61 1.02 0.32 -5.06 119.74 118.26 2yuy s LYS 96 Ca 0.00 -1.85 0.03 0.00 0.02 0.00 0.00 55.97 54.17 2yuy s LYS 96 Cb 0.00 -1.52 0.39 0.00 -0.52 0.00 0.00 37.83 36.17 2yuy s LYS 96 CO 0.00 0.14 1.38 -2.37 -0.92 0.00 0.00 175.35 173.58 2yuy n THR 97 N -0.69 2.99 0.00 2.17 5.66 -1.26 -4.98 114.28 118.17 2yuy n THR 97 Ca -0.05 -4.90 0.00 0.00 -3.05 0.00 0.00 64.05 56.05 2yuy n THR 97 Cb 0.63 -1.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 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 -0.45 0.00 -0.61 1.09 9.36 -1.26 -3.72 117.16 121.57 2yuy n TYR 98 Ca 0.43 0.00 0.47 0.00 3.32 0.00 0.00 57.90 62.11 2yuy n TYR 98 Cb 0.49 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 39.93 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 0.48 0.03 0.28 2.98 2.88 -1.26 0.59 113.62 119.59 2yuy n SER 99 Ca 0.00 0.95 -0.11 0.00 -1.33 0.00 0.00 58.87 58.38 2yuy n SER 99 Cb 0.00 -0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 62.93 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 -0.69 -0.54 -1.46 1.08 -1.95 -2.56 115.11 108.99 2yuy h GLN 100 Ca 0.84 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 58.21 2yuy h GLN 100 Cb 3.30 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 30.86 2yuy h GLN 100 CO -0.07 -0.46 0.37 -0.39 -0.95 0.00 0.00 178.83 177.33 2yuy h VAL 101 N -0.88 0.82 -0.55 -0.54 -1.51 -0.19 0.20 116.25 113.60 2yuy h VAL 101 Ca -0.07 -0.07 0.08 0.00 -1.23 0.00 0.00 66.70 65.41 2yuy h VAL 101 Cb 0.55 0.61 -0.06 0.00 -2.13 0.00 0.00 31.29 30.25 2yuy h VAL 101 CO 0.12 0.04 0.20 0.40 -1.23 0.00 0.00 177.57 177.10 2yuy h ILE 102 N 0.20 0.80 -0.90 7.19 1.08 -0.68 0.78 117.51 125.99 2yuy h ILE 102 Ca 0.25 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.59 2yuy h ILE 102 Cb 0.74 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 2yuy h ILE 102 CO -0.04 0.07 0.56 0.00 -0.69 0.00 0.00 178.15 178.04 2yuy h ALA 103 N 1.38 1.29 -0.69 1.87 0.00 -0.54 0.31 119.26 122.87 2yuy h ALA 103 Ca 0.27 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2yuy h ALA 103 Cb 0.31 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2yuy h ALA 103 CO -0.28 0.62 0.46 -0.07 0.00 0.00 0.00 179.25 179.98 2yuy h LEU 104 N 1.23 0.74 -0.35 0.00 3.38 -0.68 1.55 115.31 121.17 2yuy h LEU 104 Ca 0.32 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.09 2yuy h LEU 104 Cb -0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2yuy h LEU 104 CO -0.06 0.51 -0.71 0.40 0.09 0.00 0.00 178.44 178.67 2yuy h ILE 105 N 0.86 1.34 -0.00 1.22 2.04 0.32 -2.22 117.51 121.06 2yuy h ILE 105 Ca 0.27 -2.02 -0.18 0.00 1.00 0.00 0.00 64.86 63.93 2yuy h ILE 105 Cb 0.02 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2yuy h ILE 105 CO -0.07 0.62 -0.80 1.56 0.00 0.00 0.00 178.15 179.46 2yuy h GLN 106 N 0.39 0.11 -0.75 2.37 4.20 0.47 -2.88 115.11 119.01 2yuy h GLN 106 Ca -0.03 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 2yuy h GLN 106 Cb 1.30 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 2yuy h GLN 106 CO 0.13 0.85 0.06 0.09 -0.67 0.00 0.00 178.83 179.29 2yuy n ASN 107 N -3.66 4.13 0.33 1.46 3.02 0.52 -4.36 115.26 116.69 2yuy n ASN 107 Ca -0.02 -2.69 0.14 0.00 -0.03 0.00 0.00 54.58 51.99 2yuy n ASN 107 Cb 0.76 -0.64 0.76 0.00 -0.61 0.00 0.00 39.78 40.05 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 2.45 0.00 0.00 6.41 4.64 -1.17 -3.44 113.55 122.44 2yuy h SER 108 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2yuy h SER 108 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2yuy h SER 108 CO 0.39 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.68 2yuy n ASP 109 N -2.89 0.00 -0.06 4.97 2.03 -1.26 -2.10 116.55 117.24 2yuy n ASP 109 Ca -0.01 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.25 2yuy n ASP 109 Cb 0.44 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.82 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 1.19 -4.46 5.18 -1.04 -1.26 -4.79 114.28 109.10 2yuy n THR 110 Ca 0.00 0.26 -0.22 0.00 -2.04 0.00 0.00 64.05 62.04 2yuy n THR 110 Cb 0.00 -2.24 -0.11 0.00 -1.82 0.00 0.00 70.33 66.16 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 -2.12 1.45 -0.25 12.58 -4.23 -0.89 -0.71 115.64 121.47 2yuy s THR 111 Ca -0.14 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.33 2yuy s THR 111 Cb 0.02 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.24 2yuy s THR 111 CO 0.21 -0.12 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.94 2yuy s LEU 112 N -3.50 2.60 -0.01 4.79 1.98 0.16 -4.53 118.68 120.17 2yuy s LEU 112 Ca 0.34 -1.29 -0.27 0.00 -2.89 0.00 0.00 54.13 50.02 2yuy s LEU 112 Cb 0.07 -1.12 -0.04 0.00 0.66 0.00 0.00 46.19 45.76 2yuy s LEU 112 CO 0.14 -0.28 0.85 -0.70 -1.89 0.00 0.00 176.35 174.47 2yuy s GLU 113 N 1.42 4.51 0.33 1.98 2.12 -1.26 -1.09 118.70 126.71 2yuy s GLU 113 Ca -0.02 1.17 0.04 0.00 0.36 0.00 0.00 54.97 56.53 2yuy s GLU 113 Cb -0.18 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 2yuy s GLU 113 CO -0.09 0.05 0.04 -0.51 -0.54 0.00 0.00 175.26 174.21 2yuy s LEU 114 N 0.75 2.27 -0.22 2.70 1.43 0.35 -0.27 118.68 125.70 2yuy s LEU 114 Ca 0.45 -1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 2yuy s LEU 114 Cb -0.20 -0.45 0.07 0.00 0.03 0.00 0.00 46.19 45.64 2yuy s LEU 114 CO 0.24 -0.57 0.53 -0.44 0.23 0.00 0.00 176.35 176.34 2yuy s SER 115 N -3.50 -0.70 0.00 2.29 0.01 -1.13 -0.41 113.70 110.26 2yuy s SER 115 Ca 0.36 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.77 2yuy s SER 115 Cb 0.08 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.35 2yuy s SER 115 CO 0.15 -0.21 0.00 1.33 0.41 0.00 0.00 173.24 174.92 2yuy n VAL 116 N 4.29 0.00 -3.34 3.43 0.24 -0.47 0.76 118.33 123.25 2yuy n VAL 116 Ca -0.22 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 61.91 2yuy n VAL 116 Cb 0.57 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.62 0.68 0.68 7.34 -1.94 -1.23 -3.77 119.30 119.44 2yuy s MET 117 Ca 0.00 -0.94 -0.11 0.00 -1.71 0.00 0.00 55.69 52.92 2yuy s MET 117 Cb 0.00 -0.72 0.00 0.00 2.01 0.00 0.00 34.83 36.12 2yuy s MET 117 CO 0.00 -1.22 1.06 -1.25 -0.01 0.00 0.00 175.02 173.60 2yuy s PRO 118 N 1.32 3.00 0.16 2.03 0.04 -1.26 -4.85 135.00 135.44 2yuy s PRO 118 Ca 0.18 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.14 2yuy s PRO 118 Cb -0.14 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2yuy s PRO 118 CO -0.03 -1.05 0.43 -1.59 0.04 0.00 0.00 177.00 174.80 2yuy s LYS 119 N -4.93 3.69 1.03 4.56 0.00 -1.26 -5.07 119.74 117.77 2yuy s LYS 119 Ca 0.59 0.05 -0.12 0.00 0.00 0.00 0.00 55.97 56.48 2yuy s LYS 119 Cb -0.14 -2.81 0.17 0.00 0.00 0.00 0.00 37.83 35.05 2yuy s LYS 119 CO 0.53 0.44 0.83 -0.25 0.00 0.00 0.00 175.35 176.89 2yuy n ASP 120 N 0.12 -1.10 -1.95 0.03 9.92 -1.26 -4.58 116.55 117.73 2yuy n ASP 120 Ca -0.02 0.15 -0.00 0.00 -0.53 0.00 0.00 54.79 54.38 2yuy n ASP 120 Cb 0.52 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 2yuy n ASP 120 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2yuy n SER 121 N -3.65 -4.24 -2.70 -2.24 2.88 -1.26 -5.08 113.62 97.34 2yuy n SER 121 Ca 0.07 0.52 -0.03 0.00 -1.33 0.00 0.00 58.87 58.10 2yuy n SER 121 Cb 0.54 -2.61 0.03 0.00 -0.75 0.00 0.00 64.21 61.42 2yuy n SER 121 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yuy s GLY 122 N -0.64 -1.75 0.00 0.46 0.00 -1.26 -5.08 107.32 99.05 2yuy s GLY 122 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.05 2yuy s GLY 122 CO 0.29 4.14 0.24 -1.55 0.00 0.00 0.00 173.10 176.22 2yuy n PRO 123 N 2.68 0.00 -1.65 2.90 -0.04 -1.26 -4.81 135.00 132.82 2yuy n PRO 123 Ca 0.13 0.45 -0.63 0.00 -0.04 0.00 0.00 63.50 63.41 2yuy n PRO 123 Cb 0.63 -1.08 -0.09 0.00 -0.04 0.00 0.00 33.50 32.92 2yuy n PRO 123 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yuy n SER 124 N -1.86 0.91 -4.56 3.54 3.41 -1.26 -4.75 113.62 109.04 2yuy n SER 124 Ca 0.00 1.17 -0.34 0.00 -0.26 0.00 0.00 58.87 59.43 2yuy n SER 124 Cb 0.00 -0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 62.98 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 1.89 5.83 0.00 4.04 0.01 -1.26 -5.24 113.70 118.97 2yuy s SER 125 Ca 0.99 -1.01 0.24 0.00 1.31 0.00 0.00 55.95 57.47 2yuy s SER 125 Cb -1.36 -2.56 0.19 0.00 0.21 0.00 0.00 66.02 62.49 2yuy s SER 125 CO 0.70 -2.12 1.26 0.61 0.41 0.00 0.00 173.24 174.10