#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 0.64 -3.85 1.61 3.41 -1.26 -4.83 113.62 109.34 2yuy n SER 2 Ca 0.00 0.55 -0.08 0.00 -0.26 0.00 0.00 58.87 59.08 2yuy n SER 2 Cb 0.00 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.01 2yuy n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yuy s SER 3 N 6.78 -0.24 0.00 4.04 0.01 -1.26 -5.14 113.70 117.89 2yuy s SER 3 Ca 1.24 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2yuy s SER 3 Cb -1.44 0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2yuy s SER 3 CO 0.62 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2yuy n GLY 4 N -0.42 -1.49 3.86 3.44 0.00 -1.26 -4.95 105.19 104.38 2yuy n GLY 4 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 2yuy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy s SER 5 N -1.82 5.78 -0.58 1.61 0.01 -1.26 -5.07 113.70 112.36 2yuy s SER 5 Ca 0.00 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 56.99 2yuy s SER 5 Cb 0.00 -1.56 0.14 0.00 0.21 0.00 0.00 66.02 64.81 2yuy s SER 5 CO 0.00 -0.02 0.53 -0.55 0.41 0.00 0.00 173.24 173.62 2yuy s SER 6 N -3.69 6.25 -0.36 2.44 0.15 -1.26 -4.93 113.70 112.29 2yuy s SER 6 Ca 0.33 -1.95 0.04 0.00 0.70 0.00 0.00 55.95 55.06 2yuy s SER 6 Cb -0.09 -2.20 0.19 0.00 -1.71 0.00 0.00 66.02 62.21 2yuy s SER 6 CO 0.26 -0.80 0.71 -0.83 1.20 0.00 0.00 173.24 173.78 2yuy s GLY 7 N 3.29 -1.29 0.00 9.45 0.00 -1.26 -5.06 107.32 112.45 2yuy s GLY 7 Ca 0.06 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2yuy s GLY 7 CO 0.01 3.80 0.00 0.61 0.00 0.00 0.00 173.10 177.52 2yuy n GLY 8 N 4.59 -0.78 1.61 0.20 0.00 -1.26 -5.15 105.19 104.40 2yuy n GLY 8 Ca 0.09 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 2yuy n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuy n PRO 9 N -1.15 -1.24 -5.20 1.61 -0.04 -1.26 -5.07 135.00 122.65 2yuy n PRO 9 Ca 0.00 -0.83 -0.31 0.00 -0.04 0.00 0.00 63.50 62.32 2yuy n PRO 9 Cb 0.00 -0.65 -0.17 0.00 -0.04 0.00 0.00 33.50 32.64 2yuy n PRO 9 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2yuy s LYS 10 N -4.18 2.73 0.02 0.54 2.20 -1.14 -5.05 119.74 114.86 2yuy s LYS 10 Ca 0.32 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2yuy s LYS 10 Cb -0.02 -2.17 -0.04 0.00 -1.51 0.00 0.00 37.83 34.09 2yuy s LYS 10 CO 0.23 0.26 0.10 0.99 -0.36 0.00 0.00 175.35 176.57 2yuy s THR 11 N 0.13 4.81 -0.10 3.43 2.01 -1.26 -2.58 115.64 122.08 2yuy s THR 11 Ca -0.12 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 2yuy s THR 11 Cb -0.16 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.16 2yuy s THR 11 CO 0.06 0.29 0.22 0.68 -0.69 0.00 0.00 174.62 175.18 2yuy s VAL 12 N -1.27 -0.08 0.24 3.82 -7.23 -1.03 -4.97 120.40 109.89 2yuy s VAL 12 Ca 0.25 0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.67 2yuy s VAL 12 Cb -0.12 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.43 2yuy s VAL 12 CO 0.17 0.07 0.13 -0.89 -0.31 0.00 0.00 175.10 174.27 2yuy s THR 13 N 1.37 4.15 0.01 5.32 2.01 -1.26 0.23 115.64 127.47 2yuy s THR 13 Ca -0.08 -1.50 -0.02 0.00 0.31 0.00 0.00 61.69 60.40 2yuy s THR 13 Cb -0.11 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 2yuy s THR 13 CO -0.08 -0.32 0.01 -0.76 -0.69 0.00 0.00 174.62 172.78 2yuy s LEU 14 N -3.67 2.06 -0.17 4.42 1.02 -0.76 -4.47 118.68 117.11 2yuy s LEU 14 Ca 0.32 -0.39 -0.01 0.00 0.02 0.00 0.00 54.13 54.06 2yuy s LEU 14 Cb -0.08 0.23 0.05 0.00 0.02 0.00 0.00 46.19 46.41 2yuy s LEU 14 CO 0.23 -0.29 -0.01 -0.54 0.02 0.00 0.00 176.35 175.76 2yuy s LYS 15 N -1.33 1.02 -0.44 1.70 -0.14 -1.26 -1.85 119.74 117.44 2yuy s LYS 15 Ca -0.15 -0.42 -0.42 0.00 -1.36 0.00 0.00 55.97 53.63 2yuy s LYS 15 Cb -0.09 -1.92 -0.17 0.00 -1.68 0.00 0.00 37.83 33.97 2yuy s LYS 15 CO -0.00 -0.50 2.03 -2.13 -0.76 0.00 0.00 175.35 173.99 2yuy n ARG 16 N 4.97 0.41 0.00 1.68 0.63 0.03 -4.73 116.66 119.64 2yuy n ARG 16 Ca -0.10 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2yuy n ARG 16 Cb 0.48 -1.82 0.00 0.00 0.45 0.00 0.00 32.46 31.57 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 6.11 0.00 -3.56 5.15 5.66 -1.26 -5.01 114.28 121.38 2yuy n THR 17 Ca 0.45 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.45 2yuy n THR 17 Cb 0.05 -0.78 -0.04 0.00 -1.55 0.00 0.00 70.33 68.00 2yuy n THR 17 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2yuy s SER 18 N -4.28 -0.97 0.65 1.09 1.04 -1.26 -5.14 113.70 104.82 2yuy s SER 18 Ca 0.00 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2yuy s SER 18 Cb 0.00 2.10 0.00 0.00 0.10 0.00 0.00 66.02 68.22 2yuy s SER 18 CO 0.00 -0.19 0.00 0.00 0.98 0.00 0.00 173.24 174.03 2yuy n GLN 19 N 5.30 -0.71 0.00 4.02 1.13 -1.26 -4.32 117.38 121.54 2yuy n GLN 19 Ca -0.11 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.42 2yuy n GLN 19 Cb 0.50 -0.87 0.00 0.00 0.11 0.00 0.00 30.24 29.98 2yuy n GLN 19 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2yuy n GLY 20 N -1.09 -2.05 1.09 1.08 0.00 -1.26 -4.93 105.19 98.03 2yuy n GLY 20 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.62 -1.11 1.97 1.61 3.72 -1.26 -4.84 117.46 116.94 2yuy n PHE 21 Ca 0.00 -0.45 0.06 0.00 -0.05 0.00 0.00 57.45 57.01 2yuy n PHE 21 Cb 0.00 0.22 0.38 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.18 -0.96 3.39 1.37 0.00 -1.26 -4.79 105.19 102.76 2yuy n GLY 22 Ca -0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.99 0.95 0.10 1.61 -0.71 -1.26 0.19 117.98 116.87 2yuy s PHE 23 Ca 0.19 -1.18 -0.21 0.00 -1.04 0.00 0.00 56.93 54.69 2yuy s PHE 23 Cb 0.09 -0.24 0.05 0.00 -1.21 0.00 0.00 43.02 41.72 2yuy s PHE 23 CO 0.15 -0.88 0.51 -0.08 -1.34 0.00 0.00 175.22 173.58 2yuy s THR 24 N -3.80 0.03 0.56 -4.49 -1.32 -0.95 -4.95 115.64 100.73 2yuy s THR 24 Ca 0.32 -0.27 0.06 0.00 -1.21 0.00 0.00 61.69 60.60 2yuy s THR 24 Cb 0.03 -1.04 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 2yuy s THR 24 CO 0.14 -0.15 0.51 -0.76 -2.21 0.00 0.00 174.62 172.15 2yuy s LEU 25 N -2.41 2.75 -0.15 9.08 2.01 -1.26 0.17 118.68 128.87 2yuy s LEU 25 Ca -0.01 -1.18 -0.01 0.00 0.01 0.00 0.00 54.13 52.93 2yuy s LEU 25 Cb -0.00 -1.24 -0.01 0.00 0.01 0.00 0.00 46.19 44.95 2yuy s LEU 25 CO -0.08 -1.20 -0.10 -0.60 1.01 0.00 0.00 176.35 175.38 2yuy s ARG 26 N -4.39 3.42 -0.12 1.70 3.52 -1.26 -4.55 118.95 117.27 2yuy s ARG 26 Ca 0.40 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2yuy s ARG 26 Cb -0.03 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 2yuy s ARG 26 CO 0.25 0.12 -0.07 -3.38 -0.81 0.00 0.00 175.30 171.41 2yuy s HIS 27 N 0.61 2.94 0.00 5.12 -3.43 -1.26 -4.96 115.29 114.30 2yuy s HIS 27 Ca -0.06 -0.27 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 2yuy s HIS 27 Cb -0.15 -1.84 0.00 0.00 -1.43 0.00 0.00 32.58 29.15 2yuy s HIS 27 CO 0.03 0.05 0.00 0.34 -2.00 0.00 0.00 174.74 173.15 2yuy n PHE 28 N 3.08 0.00 -2.86 0.38 -0.00 -1.26 -5.10 117.46 111.70 2yuy n PHE 28 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.26 2yuy n PHE 28 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 40.00 2yuy n PHE 28 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2yuy n ILE 29 N 0.00 -8.50 -3.76 -2.13 5.41 -1.26 -4.98 119.36 104.14 2yuy n ILE 29 Ca 0.00 1.49 -0.30 0.00 1.00 0.00 0.00 62.75 64.94 2yuy n ILE 29 Cb 0.00 -5.40 -0.04 0.00 -0.71 0.00 0.00 39.64 33.49 2yuy n ILE 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2yuy s VAL 30 N -1.13 5.24 -0.32 1.39 0.11 -1.26 -5.08 120.40 119.35 2yuy s VAL 30 Ca -0.05 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.76 2yuy s VAL 30 Cb 0.00 -3.66 0.12 0.00 -1.53 0.00 0.00 36.38 31.31 2yuy s VAL 30 CO 0.51 0.01 0.17 -0.31 -3.33 0.00 0.00 175.10 172.14 2yuy s TYR 31 N -1.68 0.49 0.61 1.54 1.51 -1.26 -5.11 117.35 113.44 2yuy s TYR 31 Ca 0.38 -1.21 -0.15 0.00 -1.01 0.00 0.00 57.07 55.08 2yuy s TYR 31 Cb -0.12 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 2yuy s TYR 31 CO 0.27 -0.83 1.05 -1.25 -1.11 0.00 0.00 175.55 173.68 2yuy s PRO 32 N 1.63 3.31 -0.04 -1.71 0.04 -1.26 -5.02 135.00 131.94 2yuy s PRO 32 Ca 0.13 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 2yuy s PRO 32 Cb -0.19 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2yuy s PRO 32 CO -0.19 -0.81 0.36 -1.00 0.04 0.00 0.00 177.00 175.40 2yuy h PRO 33 N 0.26 -0.25 0.00 0.56 0.13 -2.00 -3.49 132.00 127.21 2yuy h PRO 33 Ca -0.46 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2yuy h PRO 33 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2yuy h PRO 33 CO 0.58 -0.17 0.00 0.39 -0.23 0.00 0.00 178.00 178.57 2yuy n GLU 34 N -4.27 0.00 0.03 0.86 1.02 -1.26 -5.02 120.64 112.00 2yuy n GLU 34 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2yuy n GLU 34 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 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 -2.41 0.23 -4.44 1.62 2.88 -1.26 -5.01 113.62 105.23 2yuy n SER 35 Ca 0.00 0.10 -0.48 0.00 -1.33 0.00 0.00 58.87 57.16 2yuy n SER 35 Cb 0.00 -0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 2yuy n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy n ALA 36 N -3.06 0.67 -1.68 -1.46 0.00 -1.26 -4.79 120.51 108.92 2yuy n ALA 36 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2yuy n ALA 36 Cb 0.20 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 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 7.27 0.44 -2.05 0.00 2.08 -1.26 -4.49 119.36 121.36 2yuy n ILE 37 Ca 0.50 -0.08 -0.38 0.00 0.56 0.00 0.00 62.75 63.35 2yuy n ILE 37 Cb 0.18 -2.16 0.01 0.00 -0.75 0.00 0.00 39.64 36.92 2yuy n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yuy s GLN 38 N 3.07 3.50 -0.16 0.38 0.00 -1.26 -5.01 119.66 120.18 2yuy s GLN 38 Ca 0.83 1.99 -0.04 0.00 -0.00 0.00 0.00 55.36 58.14 2yuy s GLN 38 Cb -0.48 -2.36 -0.03 0.00 0.00 0.00 0.00 33.01 30.15 2yuy s GLN 38 CO 0.38 -0.82 -0.02 0.12 0.00 0.00 0.00 175.29 174.95 2yuy s PHE 39 N -1.43 3.06 0.45 9.60 5.36 -1.26 -5.11 117.98 128.64 2yuy s PHE 39 Ca 0.67 -0.26 0.06 0.00 -0.96 0.00 0.00 56.93 56.44 2yuy s PHE 39 Cb -0.34 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 2yuy s PHE 39 CO 0.41 -0.02 0.20 0.45 -1.46 0.00 0.00 175.22 174.80 2yuy s SER 40 N 0.39 4.44 0.00 6.13 0.15 -1.26 -5.05 113.70 118.50 2yuy s SER 40 Ca -0.03 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2yuy s SER 40 Cb -0.14 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2yuy s SER 40 CO 0.03 -0.68 0.00 -1.22 1.20 0.00 0.00 173.24 172.57 2yuy n TYR 41 N -1.34 0.00 -3.69 3.44 4.01 -1.26 -4.82 117.16 113.50 2yuy n TYR 41 Ca -0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.40 2yuy n TYR 41 Cb 0.65 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.69 2yuy n TYR 41 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2yuy n LYS 42 N 0.00 -1.71 0.00 -0.72 3.00 -1.26 -4.95 118.16 112.52 2yuy n LYS 42 Ca 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 58.31 59.33 2yuy n LYS 42 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 32.91 2yuy n LYS 42 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2yuy n ASP 43 N -1.63 0.00 -3.95 3.14 2.03 -1.26 -5.14 116.55 109.75 2yuy n ASP 43 Ca -0.23 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.77 2yuy n ASP 43 Cb 0.70 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.94 2yuy n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2yuy s GLU 44 N -0.92 1.60 0.22 -0.67 8.01 -1.26 -5.08 118.70 120.60 2yuy s GLU 44 Ca 0.00 -1.16 0.00 0.00 0.01 0.00 0.00 54.97 53.82 2yuy s GLU 44 Cb 0.00 -2.66 0.00 0.00 -4.31 0.00 0.00 34.13 27.16 2yuy s GLU 44 CO 0.00 -0.68 0.00 -0.85 0.01 0.00 0.00 175.26 173.74 2yuy n GLU 45 N 4.60 0.00 0.00 1.61 0.00 -1.26 -4.99 120.64 120.60 2yuy n GLU 45 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.07 2yuy n GLU 45 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.87 2yuy n GLU 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2yuy n ASN 46 N -3.92 0.00 0.00 -1.84 0.23 -1.26 -5.16 115.26 103.31 2yuy n ASN 46 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2yuy n ASN 46 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2yuy n ASN 46 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yuy n GLY 47 N -0.09 -1.38 3.64 4.83 0.00 -1.26 -5.10 105.19 105.83 2yuy n GLY 47 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 2yuy n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yuy s ASN 48 N -1.52 -0.30 -0.26 1.61 3.84 -1.26 -5.18 114.94 111.86 2yuy s ASN 48 Ca 0.00 0.59 -0.26 0.00 0.21 0.00 0.00 52.86 53.39 2yuy s ASN 48 Cb 0.00 0.60 0.14 0.00 -0.55 0.00 0.00 41.25 41.44 2yuy s ASN 48 CO 0.00 -0.10 1.14 -0.60 -2.79 0.00 0.00 177.10 174.74 2yuy s ARG 49 N 0.17 0.40 -0.14 0.43 3.52 -1.26 -5.13 118.95 116.94 2yuy s ARG 49 Ca 0.05 0.36 -0.40 0.00 -0.13 0.00 0.00 55.73 55.61 2yuy s ARG 49 Cb -0.05 0.19 -0.17 0.00 -1.56 0.00 0.00 34.95 33.36 2yuy s ARG 49 CO -0.10 -0.07 1.50 0.41 -0.81 0.00 0.00 175.30 176.23 2yuy n GLY 50 N 1.70 0.51 2.42 8.12 0.00 -1.26 -4.88 105.19 111.79 2yuy n GLY 50 Ca -0.11 0.83 -0.14 0.00 0.00 0.00 0.00 46.02 46.61 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 3.24 2.54 2.85 -0.02 0.00 -1.26 -5.02 105.19 107.52 2yuy n GLY 51 Ca 0.23 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.18 1.74 -0.53 1.61 1.02 -1.26 -5.03 119.74 115.11 2yuy s LYS 52 Ca 0.33 -2.44 0.00 0.00 0.02 0.00 0.00 55.97 53.89 2yuy s LYS 52 Cb 0.38 -2.95 0.14 0.00 -0.52 0.00 0.00 37.83 34.88 2yuy s LYS 52 CO -0.04 -1.14 0.30 -0.65 -0.92 0.00 0.00 175.35 172.90 2yuy s GLN 53 N -0.12 2.16 0.00 1.68 -0.21 -1.26 -4.93 119.66 116.97 2yuy s GLN 53 Ca 0.18 -2.40 0.00 0.00 0.02 0.00 0.00 55.36 53.16 2yuy s GLN 53 Cb -0.24 -3.51 0.00 0.00 1.00 0.00 0.00 33.01 30.27 2yuy s GLN 53 CO -0.01 -1.11 0.00 0.54 -2.12 0.00 0.00 175.29 172.59 2yuy n ARG 54 N 3.58 0.00 -0.07 2.91 1.74 -1.26 -4.85 116.66 118.71 2yuy n ARG 54 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2yuy n ARG 54 Cb 0.37 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.80 2yuy n ARG 54 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2yuy n ASN 55 N 1.47 -0.38 -1.28 0.55 2.85 -1.26 -5.04 115.26 112.18 2yuy n ASN 55 Ca 0.00 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 2yuy n ASN 55 Cb 0.00 0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.24 2yuy n ASN 55 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2yuy n ARG 56 N -1.84 1.73 -1.98 1.20 0.63 -1.26 -4.96 116.66 110.17 2yuy n ARG 56 Ca -0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 2yuy n ARG 56 Cb 0.03 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.94 2yuy n ARG 56 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2yuy n LEU 57 N 0.00 6.71 -4.08 6.15 4.32 -1.26 -4.98 117.00 123.86 2yuy n LEU 57 Ca 0.00 -4.31 -0.36 0.00 -0.02 0.00 0.00 56.01 51.31 2yuy n LEU 57 Cb 0.00 -1.60 0.06 0.00 -1.62 0.00 0.00 43.42 40.26 2yuy n LEU 57 CO 0.00 1.17 -1.43 -1.84 -1.22 0.00 0.00 177.39 174.07 2yuy n GLU 58 N 5.39 -0.25 0.04 3.23 0.28 -1.26 -4.94 120.64 123.12 2yuy n GLU 58 Ca 0.47 -0.07 -0.02 0.00 -0.16 0.00 0.00 57.16 57.38 2yuy n GLU 58 Cb 0.38 -1.19 -0.01 0.00 1.43 0.00 0.00 31.44 32.06 2yuy n GLU 58 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2yuy h PRO 59 N -1.21 -0.14 -3.71 3.44 0.13 -1.98 -3.50 132.00 125.02 2yuy h PRO 59 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2yuy h PRO 59 Cb 1.35 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2yuy h PRO 59 CO 0.25 -0.10 -0.30 -0.12 -0.23 0.00 0.00 178.00 177.51 2yuy n MET 60 N -3.31 -1.10 -4.03 0.86 1.56 -1.26 -5.09 117.12 104.75 2yuy n MET 60 Ca -0.02 1.23 -0.24 0.00 -0.27 0.00 0.00 57.70 58.40 2yuy n MET 60 Cb 0.06 -2.53 -0.06 0.00 2.15 0.00 0.00 33.22 32.83 2yuy n MET 60 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2yuy s ASP 61 N -0.71 4.59 0.82 6.12 2.15 -1.26 -5.13 116.67 123.25 2yuy s ASP 61 Ca 0.01 -0.93 -0.12 0.00 0.43 0.00 0.00 52.55 51.94 2yuy s ASP 61 Cb -0.00 -0.57 0.09 0.00 -0.30 0.00 0.00 42.92 42.14 2yuy s ASP 61 CO 0.26 -0.48 1.19 -0.89 -0.17 0.00 0.00 175.17 175.08 2yuy s THR 62 N -2.52 2.01 -0.07 1.71 2.01 -1.26 -4.75 115.64 112.76 2yuy s THR 62 Ca 0.41 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.37 2yuy s THR 62 Cb 0.01 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 2yuy s THR 62 CO 0.23 0.00 -0.06 0.40 -0.69 0.00 0.00 174.62 174.51 2yuy h ILE 63 N -1.10 0.00 -4.49 1.82 5.03 -1.93 -3.49 117.51 113.35 2yuy h ILE 63 Ca -0.46 -0.53 0.00 0.00 -0.12 0.00 0.00 64.86 63.75 2yuy h ILE 63 Cb 1.32 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.11 2yuy h ILE 63 CO 0.63 0.00 -0.78 0.49 -0.68 0.00 0.00 178.15 177.82 2yuy n PHE 64 N -3.50 -3.87 -1.67 1.37 3.72 -1.26 -4.07 117.46 108.19 2yuy n PHE 64 Ca -0.02 2.31 -0.46 0.00 -0.05 0.00 0.00 57.45 59.23 2yuy n PHE 64 Cb 0.08 -3.20 -0.03 0.00 -0.94 0.00 0.00 39.48 35.39 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 1.89 0.48 0.07 -4.37 0.31 0.48 -4.00 118.33 113.17 2yuy n VAL 65 Ca 0.00 -0.12 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 2yuy n VAL 65 Cb 0.00 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.44 2yuy n VAL 65 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2yuy h LYS 66 N 5.00 -0.24 -3.83 5.55 3.64 0.15 -3.18 116.57 123.66 2yuy h LYS 66 Ca -0.45 0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 58.74 2yuy h LYS 66 Cb 1.27 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.08 2yuy h LYS 66 CO 0.82 -0.16 -0.07 -0.65 -2.27 0.00 0.00 179.45 177.12 2yuy s GLN 67 N -2.33 2.00 -0.02 1.90 -0.21 -1.19 -4.76 119.66 115.05 2yuy s GLN 67 Ca -0.04 -1.67 0.00 0.00 0.02 0.00 0.00 55.36 53.67 2yuy s GLN 67 Cb 0.00 0.49 0.03 0.00 1.00 0.00 0.00 33.01 34.53 2yuy s GLN 67 CO 0.11 -0.86 0.02 0.08 -2.12 0.00 0.00 175.29 172.52 2yuy s VAL 68 N -2.87 -0.03 0.18 1.09 1.01 -1.26 -2.23 120.40 116.30 2yuy s VAL 68 Ca 0.27 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2yuy s VAL 68 Cb -0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 36.38 36.19 2yuy s VAL 68 CO 0.18 0.09 1.07 -0.75 0.00 0.00 0.00 175.10 175.68 2yuy s LYS 69 N 0.95 4.63 -0.85 2.72 2.47 0.52 -4.95 119.74 125.22 2yuy s LYS 69 Ca -0.08 1.67 -0.23 0.00 -1.56 0.00 0.00 55.97 55.77 2yuy s LYS 69 Cb -0.12 -3.28 0.06 0.00 -1.46 0.00 0.00 37.83 33.03 2yuy s LYS 69 CO -0.03 0.14 1.26 -2.00 0.16 0.00 0.00 175.35 174.88 2yuy s GLU 70 N -0.47 3.38 0.00 4.03 2.12 -1.26 -3.41 118.70 123.08 2yuy s GLU 70 Ca 0.48 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.91 2yuy s GLU 70 Cb -0.28 -4.72 0.00 0.00 0.26 0.00 0.00 34.13 29.38 2yuy s GLU 70 CO 0.34 -2.05 0.00 0.41 -0.54 0.00 0.00 175.26 173.42 2yuy n GLY 71 N 5.92 1.25 0.00 -1.50 0.00 -1.26 -5.15 105.19 104.45 2yuy n GLY 71 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.03 4.51 0.11 -0.02 0.00 -1.22 -5.07 105.19 103.47 2yuy n GLY 72 Ca 0.00 -2.09 -0.10 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 -0.14 0.03 1.61 0.13 -1.90 -3.10 132.00 128.64 2yuy h PRO 73 Ca 0.00 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.16 2yuy h PRO 73 Cb 0.00 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.11 2yuy h PRO 73 CO 0.00 0.35 -0.49 0.00 -0.23 0.00 0.00 178.00 177.63 2yuy h ALA 74 N -0.30 -0.84 -0.95 -0.56 0.00 -1.82 0.21 119.26 114.99 2yuy h ALA 74 Ca -0.01 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.01 2yuy h ALA 74 Cb 0.55 0.85 -0.18 0.00 0.00 0.00 0.00 17.79 19.01 2yuy h ALA 74 CO 0.02 -1.05 -0.25 0.35 0.00 0.00 0.00 179.25 178.32 2yuy h PHE 75 N -0.66 -0.56 0.42 0.00 3.57 -1.74 0.14 116.94 118.12 2yuy h PHE 75 Ca 0.02 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2yuy h PHE 75 Cb 0.71 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2yuy h PHE 75 CO -0.46 -0.41 -0.20 0.93 -2.23 0.00 0.00 178.31 175.94 2yuy h GLU 76 N -0.00 -0.55 -1.71 1.11 4.39 -1.19 -2.31 114.58 114.32 2yuy h GLU 76 Ca 0.45 0.04 0.53 0.00 0.34 0.00 0.00 59.36 60.71 2yuy h GLU 76 Cb 0.69 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.36 2yuy h GLU 76 CO -0.98 -0.29 1.18 0.00 -1.16 0.00 0.00 179.01 177.76 2yuy h ALA 77 N -0.19 3.42 0.00 3.43 0.00 0.21 -3.42 119.26 122.70 2yuy h ALA 77 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2yuy h ALA 77 Cb 0.51 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2yuy h ALA 77 CO 0.10 -2.03 0.00 0.41 0.00 0.00 0.00 179.25 177.73 2yuy n GLY 78 N -1.75 1.44 3.73 0.00 0.00 -0.46 -4.81 105.19 103.33 2yuy n GLY 78 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 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 2.84 0.00 0.99 2.96 -0.69 -4.99 118.68 119.78 2yuy s LEU 79 Ca 0.00 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 2yuy s LEU 79 Cb 0.00 -4.44 0.00 0.00 0.50 0.00 0.00 46.19 42.25 2yuy s LEU 79 CO 0.00 -2.48 0.00 0.00 -1.32 0.00 0.00 176.35 172.55 2yuy s THR 81 N -2.80 4.96 0.00 0.00 -4.23 -1.26 -4.29 115.64 108.01 2yuy s THR 81 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2yuy s THR 81 Cb 0.00 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.61 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 3.39 1.96 3.68 3.99 0.00 -1.20 -5.02 105.19 111.98 2yuy n GLY 82 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2yuy n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yuy s ASP 83 N -0.37 6.69 0.19 1.61 1.01 -1.26 -4.55 116.67 119.99 2yuy s ASP 83 Ca 0.00 2.28 -0.05 0.00 0.71 0.00 0.00 52.55 55.49 2yuy s ASP 83 Cb 0.00 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 2yuy s ASP 83 CO 0.00 -0.87 0.44 0.00 0.21 0.00 0.00 175.17 174.95 2yuy s ARG 84 N 3.21 3.64 0.06 8.23 1.70 -1.26 -0.39 118.95 134.14 2yuy s ARG 84 Ca 0.71 -0.04 -0.21 0.00 -0.47 0.00 0.00 55.73 55.72 2yuy s ARG 84 Cb -0.35 -2.78 -0.06 0.00 -0.57 0.00 0.00 34.95 31.19 2yuy s ARG 84 CO 0.30 0.39 0.62 0.42 -1.08 0.00 0.00 175.30 175.95 2yuy s ILE 85 N -1.78 4.74 -0.03 4.99 -1.09 -1.26 -4.22 121.20 122.55 2yuy s ILE 85 Ca 0.42 1.33 0.01 0.00 -2.23 0.00 0.00 60.65 60.19 2yuy s ILE 85 Cb -0.12 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 2yuy s ILE 85 CO 0.25 0.49 -0.01 2.30 -1.23 0.00 0.00 174.94 176.74 2yuy n ILE 86 N 2.10 0.19 -4.24 2.92 -5.35 0.20 -4.75 119.36 110.43 2yuy n ILE 86 Ca -0.08 -0.09 -0.14 0.00 -0.27 0.00 0.00 62.75 62.17 2yuy n ILE 86 Cb 0.50 -0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 37.53 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 -2.07 1.11 -0.14 6.28 1.02 -1.22 -3.04 119.74 121.69 2yuy s LYS 87 Ca -0.03 -1.53 -0.06 0.00 0.02 0.00 0.00 55.97 54.37 2yuy s LYS 87 Cb 0.01 -0.32 0.06 0.00 -0.52 0.00 0.00 37.83 37.06 2yuy s LYS 87 CO 0.09 -0.11 0.30 0.08 -0.92 0.00 0.00 175.35 174.80 2yuy s VAL 88 N -3.61 -0.26 -0.49 3.17 1.01 -1.26 -2.70 120.40 116.26 2yuy s VAL 88 Ca 0.23 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2yuy s VAL 88 Cb 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2yuy s VAL 88 CO 0.04 0.08 0.00 0.59 0.00 0.00 0.00 175.10 175.81 2yuy n ASN 89 N 4.81 -2.08 -3.18 3.32 3.02 -0.18 0.19 115.26 121.17 2yuy n ASN 89 Ca -0.16 0.31 -0.21 0.00 -0.03 0.00 0.00 54.58 54.49 2yuy n ASN 89 Cb 0.52 -1.93 0.07 0.00 -0.61 0.00 0.00 39.78 37.82 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 -0.51 -0.39 0.34 7.41 0.00 -1.26 -4.89 105.19 105.89 2yuy n GLY 90 Ca -0.06 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.40 1.24 -2.66 1.61 0.00 0.50 -5.05 120.64 111.88 2yuy n GLU 91 Ca -0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 57.16 56.40 2yuy n GLU 91 Cb 0.56 -1.40 -0.04 0.00 0.00 0.00 0.00 31.44 30.56 2yuy n GLU 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2yuy n SER 92 N -0.39 -1.69 -2.08 4.31 2.88 -1.26 -4.87 113.62 110.52 2yuy n SER 92 Ca 0.07 1.33 -0.14 0.00 -1.33 0.00 0.00 58.87 58.80 2yuy n SER 92 Cb 0.39 -5.00 0.24 0.00 -0.75 0.00 0.00 64.21 59.10 2yuy n SER 92 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2yuy n VAL 93 N 1.67 2.99 0.06 2.46 0.24 -1.17 -4.41 118.33 120.18 2yuy n VAL 93 Ca -0.35 -1.69 0.02 0.00 -2.04 0.00 0.00 64.34 60.28 2yuy n VAL 93 Cb 0.55 -0.43 0.39 0.00 -1.47 0.00 0.00 33.84 32.88 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 1.90 1.15 -0.47 1.34 1.08 -1.90 -2.74 117.51 117.87 2yuy h ILE 94 Ca 0.42 -0.58 -0.35 0.00 -0.39 0.00 0.00 64.86 63.96 2yuy h ILE 94 Cb 2.53 0.93 -0.29 0.00 -3.07 0.00 0.00 36.82 36.92 2yuy h ILE 94 CO 0.88 0.20 -0.75 0.61 -0.69 0.00 0.00 178.15 178.40 2yuy n GLY 95 N -1.07 5.54 3.38 5.37 0.00 -1.26 -5.03 105.19 112.11 2yuy n GLY 95 Ca 0.01 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.38 1.39 0.38 1.61 1.02 -1.03 -5.15 119.74 114.58 2yuy s LYS 96 Ca 0.45 -1.48 0.08 0.00 0.02 0.00 0.00 55.97 55.03 2yuy s LYS 96 Cb 0.39 -1.54 -0.02 0.00 -0.52 0.00 0.00 37.83 36.15 2yuy s LYS 96 CO -0.01 0.32 0.40 -0.08 -0.92 0.00 0.00 175.35 175.06 2yuy s THR 97 N -1.98 3.13 0.10 2.17 -1.32 -1.26 -4.91 115.64 111.57 2yuy s THR 97 Ca 0.19 -1.25 -0.29 0.00 -1.21 0.00 0.00 61.69 59.13 2yuy s THR 97 Cb -0.06 -3.10 -0.12 0.00 -1.51 0.00 0.00 72.50 67.71 2yuy s THR 97 CO 0.08 -0.07 1.48 0.22 -2.21 0.00 0.00 174.62 174.12 2yuy h TYR 98 N 1.00 -1.37 -1.24 9.09 3.20 -1.95 0.18 116.97 125.88 2yuy h TYR 98 Ca -0.43 0.05 0.37 0.00 3.14 0.00 0.00 58.73 61.86 2yuy h TYR 98 Cb 1.26 0.60 -0.10 0.00 1.54 0.00 0.00 36.73 40.03 2yuy h TYR 98 CO 0.49 -0.49 0.82 1.03 -1.64 0.00 0.00 178.16 178.37 2yuy h SER 99 N -0.57 0.26 0.00 -2.11 0.87 -1.98 1.11 113.55 111.14 2yuy h SER 99 Ca 0.01 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2yuy h SER 99 Cb 0.62 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2yuy h SER 99 CO -0.32 -0.05 0.00 0.00 -0.53 0.00 0.00 176.83 175.92 2yuy n GLN 100 N -4.55 0.00 -0.34 2.24 6.02 0.39 -2.73 117.38 118.41 2yuy n GLN 100 Ca 0.32 0.39 0.22 0.00 -0.01 0.00 0.00 57.00 57.91 2yuy n GLN 100 Cb 1.25 -1.15 0.45 0.00 1.02 0.00 0.00 30.24 31.82 2yuy n GLN 100 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2yuy h VAL 101 N 0.00 0.44 -0.44 5.09 -1.51 -0.18 0.24 116.25 119.90 2yuy h VAL 101 Ca 0.00 -0.15 0.08 0.00 -1.23 0.00 0.00 66.70 65.40 2yuy h VAL 101 Cb 0.00 -0.04 -0.10 0.00 -2.13 0.00 0.00 31.29 29.03 2yuy h VAL 101 CO 0.00 0.08 -0.35 0.40 -1.23 0.00 0.00 177.57 176.47 2yuy h ILE 102 N 0.44 0.19 -0.61 7.19 1.08 0.12 0.32 117.51 126.24 2yuy h ILE 102 Ca 0.67 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 65.17 2yuy h ILE 102 Cb 1.50 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 2yuy h ILE 102 CO -0.47 0.00 0.37 0.00 -0.69 0.00 0.00 178.15 177.36 2yuy h ALA 103 N 0.73 0.80 -0.92 1.87 0.00 -0.34 0.21 119.26 121.60 2yuy h ALA 103 Ca 0.18 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.24 2yuy h ALA 103 Cb 0.55 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2yuy h ALA 103 CO -0.57 0.11 0.59 -0.07 0.00 0.00 0.00 179.25 179.31 2yuy h LEU 104 N 0.73 0.63 -0.03 0.00 3.38 0.01 1.56 115.31 121.59 2yuy h LEU 104 Ca 0.25 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 2yuy h LEU 104 Cb 0.03 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.72 2yuy h LEU 104 CO -0.11 0.29 -0.30 0.40 0.09 0.00 0.00 178.44 178.81 2yuy h ILE 105 N 0.65 1.49 0.00 1.22 2.04 0.11 0.13 117.51 123.15 2yuy h ILE 105 Ca 0.48 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 2yuy h ILE 105 Cb 0.86 2.57 -0.00 0.00 -0.74 0.00 0.00 36.82 39.51 2yuy h ILE 105 CO -0.24 0.52 -0.10 1.56 0.00 0.00 0.00 178.15 179.89 2yuy h GLN 106 N -0.34 0.00 -0.24 2.37 4.20 0.11 -1.22 115.11 119.98 2yuy h GLN 106 Ca -0.03 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 2yuy h GLN 106 Cb 1.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.73 2yuy h GLN 106 CO 0.06 0.10 -0.08 0.09 -0.67 0.00 0.00 178.83 178.33 2yuy n ASN 107 N -3.62 2.80 0.06 1.46 3.02 0.52 -4.53 115.26 114.96 2yuy n ASN 107 Ca -0.02 -3.47 0.13 0.00 -0.03 0.00 0.00 54.58 51.19 2yuy n ASN 107 Cb 0.22 -0.57 0.49 0.00 -0.61 0.00 0.00 39.78 39.31 2yuy n ASN 107 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2yuy n SER 108 N -0.99 0.42 -0.29 6.41 7.64 0.43 -4.91 113.62 122.33 2yuy n SER 108 Ca 0.26 0.55 0.03 0.00 1.01 0.00 0.00 58.87 60.72 2yuy n SER 108 Cb 0.91 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yuy n ASP 109 N -1.90 -1.75 -0.33 6.43 2.03 -1.26 -4.20 116.55 115.57 2yuy n ASP 109 Ca 0.06 0.21 -0.09 0.00 0.52 0.00 0.00 54.79 55.49 2yuy n ASP 109 Cb 0.36 -0.58 -0.08 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.20 -0.53 -2.47 5.18 -1.04 -1.26 -4.42 114.28 108.54 2yuy n THR 110 Ca 0.00 2.04 -0.27 0.00 -2.04 0.00 0.00 64.05 63.78 2yuy n THR 110 Cb 0.09 -2.54 0.02 0.00 -1.82 0.00 0.00 70.33 66.08 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 -5.15 4.15 -0.30 12.58 -4.23 -1.26 -0.79 115.64 120.65 2yuy s THR 111 Ca -0.09 0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.51 2yuy s THR 111 Cb 0.09 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.50 2yuy s THR 111 CO 0.48 -0.63 0.60 -0.22 -0.54 0.00 0.00 174.62 174.31 2yuy s LEU 112 N -4.90 -1.39 -0.08 4.79 1.98 -0.77 -4.70 118.68 113.60 2yuy s LEU 112 Ca 0.51 0.85 -0.20 0.00 -2.89 0.00 0.00 54.13 52.40 2yuy s LEU 112 Cb -0.10 2.16 -0.04 0.00 0.66 0.00 0.00 46.19 48.86 2yuy s LEU 112 CO 0.45 -0.26 0.55 -0.70 -1.89 0.00 0.00 176.35 174.50 2yuy s GLU 113 N 2.86 4.35 0.36 1.98 2.12 -1.26 -1.83 118.70 127.27 2yuy s GLU 113 Ca 0.20 0.59 0.08 0.00 0.36 0.00 0.00 54.97 56.21 2yuy s GLU 113 Cb -0.15 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 2yuy s GLU 113 CO -0.21 0.18 0.09 -0.51 -0.54 0.00 0.00 175.26 174.27 2yuy s LEU 114 N 0.49 3.10 -0.08 2.70 1.43 0.13 -1.01 118.68 125.45 2yuy s LEU 114 Ca 0.29 -0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 2yuy s LEU 114 Cb -0.16 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.62 2yuy s LEU 114 CO 0.13 -0.33 0.16 -0.44 0.23 0.00 0.00 176.35 176.11 2yuy s SER 115 N -3.80 0.08 0.00 2.29 0.01 -1.10 -2.47 113.70 108.72 2yuy s SER 115 Ca 0.37 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2yuy s SER 115 Cb 0.00 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2yuy s SER 115 CO 0.21 -0.18 0.00 1.33 0.41 0.00 0.00 173.24 175.01 2yuy n VAL 116 N 4.50 0.00 -2.70 3.43 0.24 -1.07 -0.62 118.33 122.11 2yuy n VAL 116 Ca -0.21 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.02 2yuy n VAL 116 Cb 0.51 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.97 2yuy n VAL 116 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2yuy n MET 117 N 0.00 0.90 -0.37 7.34 0.00 -1.26 -2.88 117.12 120.84 2yuy n MET 117 Ca 0.00 -1.59 -0.07 0.00 0.00 0.00 0.00 57.70 56.03 2yuy n MET 117 Cb 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 33.22 32.92 2yuy n MET 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2yuy n PRO 118 N -0.19 -0.92 0.00 3.17 -0.04 -1.26 -5.01 135.00 130.76 2yuy n PRO 118 Ca -0.04 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 2yuy n PRO 118 Cb 0.77 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2yuy n PRO 118 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2yuy n LYS 119 N -2.02 0.00 -1.55 0.54 4.81 -1.26 -5.03 118.16 113.65 2yuy n LYS 119 Ca 0.04 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.13 2yuy n LYS 119 Cb 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.16 2yuy n LYS 119 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2yuy s ASP 120 N 0.56 4.39 0.38 3.14 -1.08 -1.26 -4.91 116.67 117.89 2yuy s ASP 120 Ca 0.00 1.03 0.08 0.00 -0.52 0.00 0.00 52.55 53.14 2yuy s ASP 120 Cb 0.00 -2.50 -0.06 0.00 -1.46 0.00 0.00 42.92 38.90 2yuy s ASP 120 CO 0.00 -2.95 0.05 -0.55 0.52 0.00 0.00 175.17 172.23 2yuy s SER 121 N 12.20 4.12 0.00 -0.34 0.15 -1.26 -5.12 113.70 123.45 2yuy s SER 121 Ca 0.98 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2yuy s SER 121 Cb -0.17 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2yuy s SER 121 CO 0.25 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2yuy n GLY 122 N -1.02 2.29 3.82 9.45 0.00 -1.26 -5.16 105.19 113.31 2yuy n GLY 122 Ca -0.04 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2yuy n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 123 N -0.54 3.01 0.10 1.61 0.04 -1.26 -5.08 135.00 132.88 2yuy s PRO 123 Ca 0.00 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 61.92 2yuy s PRO 123 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2yuy s PRO 123 CO 0.00 -1.04 0.23 -1.12 0.04 0.00 0.00 177.00 175.10 2yuy s SER 124 N -3.68 0.06 0.60 6.66 0.01 -1.26 -5.12 113.70 110.98 2yuy s SER 124 Ca 0.59 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2yuy s SER 124 Cb -0.14 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2yuy s SER 124 CO 0.53 -0.76 0.00 -1.20 0.41 0.00 0.00 173.24 172.22 2yuy n SER 125 N -0.09 -8.11 -0.13 2.44 7.64 -1.26 -5.28 113.62 108.83 2yuy n SER 125 Ca -0.15 1.69 0.15 0.00 1.01 0.00 0.00 58.87 61.58 2yuy n SER 125 Cb 0.63 -5.07 0.84 0.00 -1.01 0.00 0.00 64.21 59.60 2yuy n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64