#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy s SER 2 N 0.00 -0.64 -0.44 1.61 0.01 -1.26 -5.12 113.70 107.85 2yuy s SER 2 Ca 0.00 1.17 -0.23 0.00 1.31 0.00 0.00 55.95 58.20 2yuy s SER 2 Cb 0.00 1.14 0.02 0.00 0.21 0.00 0.00 66.02 67.39 2yuy s SER 2 CO 0.00 -0.20 0.75 -0.55 0.41 0.00 0.00 173.24 173.65 2yuy s SER 3 N 0.69 6.39 0.03 2.44 0.15 -1.26 -5.03 113.70 117.11 2yuy s SER 3 Ca -0.03 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.51 2yuy s SER 3 Cb -0.05 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 2yuy s SER 3 CO -0.05 -0.88 -0.09 -0.83 1.20 0.00 0.00 173.24 172.59 2yuy s GLY 4 N 2.10 1.73 0.12 9.45 0.00 -1.26 -5.13 107.32 114.34 2yuy s GLY 4 Ca 0.28 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 2yuy s GLY 4 CO 0.22 -0.98 0.18 -0.45 0.00 0.00 0.00 173.10 172.07 2yuy s SER 5 N -1.57 0.17 0.03 1.64 0.15 -1.26 -5.08 113.70 107.77 2yuy s SER 5 Ca 0.18 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2yuy s SER 5 Cb -0.11 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2yuy s SER 5 CO 0.08 -0.78 0.00 -1.20 1.20 0.00 0.00 173.24 172.55 2yuy n SER 6 N -0.11 0.13 0.00 5.45 7.64 -1.26 -5.12 113.62 120.36 2yuy n SER 6 Ca -0.10 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2yuy n SER 6 Cb 0.63 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2yuy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 7 N 2.66 1.69 0.00 0.23 0.00 -1.26 -5.17 105.19 103.35 2yuy n GLY 7 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2yuy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 8 N 0.00 -0.62 3.77 -0.02 0.00 -1.26 -5.15 105.19 101.92 2yuy n GLY 8 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.92 0.30 -0.10 1.61 0.04 -1.26 -5.02 135.00 129.63 2yuy s PRO 9 Ca 0.00 -0.03 -0.05 0.00 0.04 0.00 0.00 61.00 60.96 2yuy s PRO 9 Cb 0.00 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2yuy s PRO 9 CO 0.00 -2.71 0.08 0.21 0.04 0.00 0.00 177.00 174.62 2yuy s LYS 10 N -5.50 3.24 -0.01 4.56 2.20 -0.94 -5.03 119.74 118.25 2yuy s LYS 10 Ca 0.69 -0.25 0.06 0.00 -0.36 0.00 0.00 55.97 56.10 2yuy s LYS 10 Cb -0.10 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.19 2yuy s LYS 10 CO 0.54 0.75 -0.19 0.99 -0.36 0.00 0.00 175.35 177.08 2yuy s THR 11 N -0.96 1.48 -0.02 3.43 2.01 -1.26 -2.32 115.64 118.00 2yuy s THR 11 Ca 0.14 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 2yuy s THR 11 Cb -0.12 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.16 2yuy s THR 11 CO 0.03 0.42 0.06 0.68 -0.69 0.00 0.00 174.62 175.12 2yuy s VAL 12 N -0.44 0.02 0.24 3.82 -7.23 -1.08 -4.98 120.40 110.75 2yuy s VAL 12 Ca 0.07 -0.16 0.09 0.00 -1.81 0.00 0.00 61.98 60.17 2yuy s VAL 12 Cb -0.07 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.68 2yuy s VAL 12 CO -0.01 -0.09 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.78 2yuy s THR 13 N -0.25 3.42 -0.05 5.32 2.01 -1.26 0.57 115.64 125.40 2yuy s THR 13 Ca -0.03 -1.81 -0.04 0.00 0.31 0.00 0.00 61.69 60.12 2yuy s THR 13 Cb -0.02 -2.79 0.02 0.00 0.01 0.00 0.00 72.50 69.72 2yuy s THR 13 CO 0.00 -0.29 0.12 -0.76 -0.69 0.00 0.00 174.62 172.99 2yuy s LEU 14 N -3.42 1.41 -0.22 4.42 1.02 0.20 -4.38 118.68 117.72 2yuy s LEU 14 Ca 0.30 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.70 2yuy s LEU 14 Cb -0.07 0.37 0.04 0.00 0.02 0.00 0.00 46.19 46.55 2yuy s LEU 14 CO 0.19 -0.06 -0.12 -0.54 0.02 0.00 0.00 176.35 175.83 2yuy s LYS 15 N 0.28 2.29 -0.47 1.70 1.02 -1.26 0.13 119.74 123.43 2yuy s LYS 15 Ca -0.02 -1.02 -0.44 0.00 0.02 0.00 0.00 55.97 54.51 2yuy s LYS 15 Cb -0.03 -2.62 -0.18 0.00 -0.52 0.00 0.00 37.83 34.48 2yuy s LYS 15 CO -0.01 -0.44 1.91 -2.13 -0.92 0.00 0.00 175.35 173.76 2yuy n ARG 16 N 4.58 0.19 -0.67 1.68 0.63 0.26 -4.66 116.66 118.67 2yuy n ARG 16 Ca -0.16 0.06 0.08 0.00 -0.92 0.00 0.00 57.85 56.91 2yuy n ARG 16 Cb 0.46 -1.63 0.34 0.00 0.45 0.00 0.00 32.46 32.08 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 5.45 2.35 0.00 5.15 5.66 -1.26 -4.94 114.28 126.69 2yuy n THR 17 Ca 0.42 -1.49 0.00 0.00 -3.05 0.00 0.00 64.05 59.94 2yuy n THR 17 Cb -0.01 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 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 0.39 0.00 -4.26 1.09 7.64 -1.26 -5.11 113.62 112.11 2yuy n SER 18 Ca 0.25 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.88 2yuy n SER 18 Cb 1.01 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 64.08 2yuy n SER 18 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2yuy s GLN 19 N 0.00 1.28 2.20 1.43 -0.21 -1.26 -5.03 119.66 118.07 2yuy s GLN 19 Ca 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 54.36 2yuy s GLN 19 Cb 0.00 -1.45 0.00 0.00 1.00 0.00 0.00 33.01 32.56 2yuy s GLN 19 CO 0.00 0.36 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 2yuy n GLY 20 N 1.57 2.31 3.59 3.09 0.00 -1.26 -4.62 105.19 109.87 2yuy n GLY 20 Ca -0.18 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 2yuy n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yuy s PHE 21 N 0.00 -0.58 0.00 1.61 0.08 -1.26 -4.72 117.98 113.11 2yuy s PHE 21 Ca 0.00 1.25 0.00 0.00 0.12 0.00 0.00 56.93 58.30 2yuy s PHE 21 Cb 0.00 0.37 0.00 0.00 -0.57 0.00 0.00 43.02 42.82 2yuy s PHE 21 CO 0.00 -0.39 0.42 0.41 -0.10 0.00 0.00 175.22 175.56 2yuy n GLY 22 N 1.71 -3.07 3.17 4.36 0.00 -1.26 -4.58 105.19 105.51 2yuy n GLY 22 Ca -0.14 0.66 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.85 -1.51 -3.51 1.61 -1.74 -1.26 -4.15 117.46 106.06 2yuy n PHE 23 Ca 0.00 0.25 -0.14 0.00 -0.56 0.00 0.00 57.45 57.00 2yuy n PHE 23 Cb 0.00 -1.49 -0.04 0.00 1.52 0.00 0.00 39.48 39.47 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 -2.15 0.02 0.28 1.97 -1.32 -0.99 -4.92 115.64 108.53 2yuy s THR 24 Ca 0.48 -0.12 0.08 0.00 -1.21 0.00 0.00 61.69 60.92 2yuy s THR 24 Cb -0.05 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 2yuy s THR 24 CO 0.61 -0.07 0.11 -0.76 -2.21 0.00 0.00 174.62 172.30 2yuy s LEU 25 N -2.16 3.43 -0.01 9.08 2.01 -1.26 0.32 118.68 130.10 2yuy s LEU 25 Ca -0.04 -0.54 -0.01 0.00 0.01 0.00 0.00 54.13 53.55 2yuy s LEU 25 Cb -0.00 -1.95 -0.00 0.00 0.01 0.00 0.00 46.19 44.24 2yuy s LEU 25 CO -0.04 -0.11 0.03 -0.60 1.01 0.00 0.00 176.35 176.64 2yuy s ARG 26 N -3.79 0.10 0.00 1.70 6.06 -1.24 -4.82 118.95 116.96 2yuy s ARG 26 Ca 0.34 -0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.49 2yuy s ARG 26 Cb -0.06 0.04 0.00 0.00 0.06 0.00 0.00 34.95 34.99 2yuy s ARG 26 CO 0.23 -0.02 0.00 0.72 -2.50 0.00 0.00 175.30 173.73 2yuy n HIS 27 N 2.75 0.00 -2.27 5.12 8.25 -1.26 -4.67 115.22 123.13 2yuy n HIS 27 Ca -0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.24 2yuy n HIS 27 Cb 0.59 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.69 2yuy n HIS 27 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2yuy n PHE 28 N 0.00 -1.50 -1.36 4.41 -0.00 -1.26 -4.78 117.46 112.96 2yuy n PHE 28 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.00 2yuy n PHE 28 Cb 0.00 -1.99 -0.02 0.00 -0.00 0.00 0.00 39.48 37.47 2yuy n PHE 28 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 2yuy n ILE 29 N -2.77 1.44 -3.79 -2.13 -6.64 -1.26 -4.97 119.36 99.23 2yuy n ILE 29 Ca -0.08 -0.50 -0.14 0.00 -1.77 0.00 0.00 62.75 60.25 2yuy n ILE 29 Cb 0.51 -0.02 -0.16 0.00 -1.44 0.00 0.00 39.64 38.54 2yuy n ILE 29 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 2yuy s VAL 30 N -1.29 -0.05 -0.48 7.28 1.01 -1.26 -5.07 120.40 120.54 2yuy s VAL 30 Ca 0.62 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.83 2yuy s VAL 30 Cb -0.80 -0.07 0.26 0.00 0.00 0.00 0.00 36.38 35.77 2yuy s VAL 30 CO 0.59 0.07 0.93 -1.22 0.00 0.00 0.00 175.10 175.46 2yuy n TYR 31 N 3.95 -3.21 -1.53 5.22 4.02 -1.26 -5.08 117.16 119.26 2yuy n TYR 31 Ca -0.24 -1.86 -0.29 0.00 -0.01 0.00 0.00 57.90 55.50 2yuy n TYR 31 Cb 0.52 1.54 0.16 0.00 -0.02 0.00 0.00 39.34 41.54 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 0.58 0.75 0.00 -0.72 0.04 -1.26 -4.90 135.00 129.49 2yuy s PRO 32 Ca 0.30 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.48 2yuy s PRO 32 Cb 0.24 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.97 2yuy s PRO 32 CO -0.21 -2.43 0.00 -0.35 0.04 0.00 0.00 177.00 174.05 2yuy n PRO 33 N -3.90 0.67 0.00 0.56 -0.04 -1.26 -5.01 135.00 126.02 2yuy n PRO 33 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2yuy n PRO 33 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 2yuy n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2yuy n GLU 34 N -0.28 0.00 -2.59 0.54 0.00 -1.26 -4.80 120.64 112.25 2yuy n GLU 34 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 57.16 56.88 2yuy n GLU 34 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 31.44 31.28 2yuy n GLU 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2yuy n SER 35 N -1.36 5.08 -3.43 4.31 2.88 -1.26 -4.86 113.62 114.99 2yuy n SER 35 Ca 0.00 -3.72 -0.26 0.00 -1.33 0.00 0.00 58.87 53.56 2yuy n SER 35 Cb 0.00 -0.60 -0.08 0.00 -0.75 0.00 0.00 64.21 62.78 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 -0.38 3.53 -1.96 -1.46 0.00 -1.26 -5.09 120.51 113.89 2yuy n ALA 36 Ca 0.38 -4.32 -0.41 0.00 0.00 0.00 0.00 53.44 49.10 2yuy n ALA 36 Cb 0.50 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 2yuy n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yuy s ILE 37 N -1.89 3.62 0.14 0.00 -1.09 -1.26 -4.84 121.20 115.88 2yuy s ILE 37 Ca 0.36 1.46 -0.31 0.00 -2.23 0.00 0.00 60.65 59.93 2yuy s ILE 37 Cb 0.12 -3.93 -0.08 0.00 -1.58 0.00 0.00 42.46 37.00 2yuy s ILE 37 CO -0.07 0.28 1.30 -1.10 -1.23 0.00 0.00 174.94 174.12 2yuy s GLN 38 N -0.70 4.39 0.20 2.79 1.11 -1.26 -4.92 119.66 121.27 2yuy s GLN 38 Ca 0.49 1.98 -0.23 0.00 0.01 0.00 0.00 55.36 57.61 2yuy s GLN 38 Cb -0.32 -3.25 0.12 0.00 -1.01 0.00 0.00 33.01 28.55 2yuy s GLN 38 CO 0.38 -0.29 1.55 0.35 0.01 0.00 0.00 175.29 177.29 2yuy h PHE 39 N 6.10 -1.37 -1.59 0.91 3.04 -1.98 -3.40 116.94 118.65 2yuy h PHE 39 Ca -0.43 0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.63 2yuy h PHE 39 Cb 1.21 0.73 0.00 0.00 2.56 0.00 0.00 35.95 40.45 2yuy h PHE 39 CO 0.64 -0.40 0.00 0.43 -2.02 0.00 0.00 178.31 176.97 2yuy n SER 40 N -5.39 -0.24 -4.64 0.41 7.64 -1.26 -5.10 113.62 105.04 2yuy n SER 40 Ca 0.06 -0.63 -0.29 0.00 1.01 0.00 0.00 58.87 59.02 2yuy n SER 40 Cb 0.35 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 2yuy n SER 40 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2yuy s TYR 41 N -0.75 2.26 -0.23 1.43 1.13 -1.26 -4.97 117.35 114.96 2yuy s TYR 41 Ca 0.00 -0.80 -0.06 0.00 -1.41 0.00 0.00 57.07 54.81 2yuy s TYR 41 Cb 0.00 -1.67 0.02 0.00 -1.10 0.00 0.00 41.96 39.21 2yuy s TYR 41 CO 0.00 0.33 0.11 1.63 -2.51 0.00 0.00 175.55 175.11 2yuy n LYS 42 N -1.04 -3.72 -0.22 -3.49 4.76 -1.26 -4.84 118.16 108.35 2yuy n LYS 42 Ca -0.09 2.92 -0.06 0.00 -2.87 0.00 0.00 58.31 58.20 2yuy n LYS 42 Cb 0.67 -4.89 -0.01 0.00 -1.84 0.00 0.00 35.03 28.96 2yuy n LYS 42 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2yuy h ASP 43 N 3.26 -1.29 -6.21 4.39 5.19 -2.00 -3.46 116.42 116.31 2yuy h ASP 43 Ca -0.26 0.24 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 2yuy h ASP 43 Cb 0.58 0.62 0.01 0.00 0.18 0.00 0.00 39.33 40.72 2yuy h ASP 43 CO 0.05 -0.31 -1.07 1.21 -3.12 0.00 0.00 179.24 176.00 2yuy n GLU 44 N -5.43 -1.14 -0.89 3.56 0.00 -1.26 -4.32 120.64 111.17 2yuy n GLU 44 Ca 0.04 1.07 0.11 0.00 0.00 0.00 0.00 57.16 58.38 2yuy n GLU 44 Cb 0.36 -1.46 -0.05 0.00 0.00 0.00 0.00 31.44 30.28 2yuy n GLU 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2yuy n GLU 45 N 0.44 -1.99 -1.48 5.31 4.71 -1.26 -4.66 120.64 121.71 2yuy n GLU 45 Ca -0.05 1.55 -0.58 0.00 -0.01 0.00 0.00 57.16 58.07 2yuy n GLU 45 Cb 0.57 -2.35 -0.09 0.00 -1.01 0.00 0.00 31.44 28.56 2yuy n GLU 45 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2yuy n ASN 46 N -3.55 1.54 -4.49 1.62 4.13 -1.26 -4.81 115.26 108.44 2yuy n ASN 46 Ca -0.04 0.78 -0.43 0.00 1.68 0.00 0.00 54.58 56.56 2yuy n ASN 46 Cb 0.42 -1.04 -0.02 0.00 -1.54 0.00 0.00 39.78 37.60 2yuy n ASN 46 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2yuy s GLY 47 N 5.34 1.91 -0.32 7.41 0.00 -1.26 -4.81 107.32 115.59 2yuy s GLY 47 Ca 1.10 -2.86 0.01 0.00 0.00 0.00 0.00 44.72 42.97 2yuy s GLY 47 CO 0.64 2.24 0.73 -1.31 0.00 0.00 0.00 173.10 175.40 2yuy s ASN 48 N 3.73 -1.25 -0.22 1.64 0.01 -1.26 -4.99 114.94 112.60 2yuy s ASN 48 Ca 0.41 -0.06 -0.29 0.00 -0.71 0.00 0.00 52.86 52.21 2yuy s ASN 48 Cb -0.02 1.73 -0.04 0.00 0.41 0.00 0.00 41.25 43.33 2yuy s ASN 48 CO -0.05 -0.20 1.91 -0.60 -1.51 0.00 0.00 177.10 176.65 2yuy s ARG 49 N 2.60 3.49 0.00 -0.60 3.00 -1.26 -4.20 118.95 121.98 2yuy s ARG 49 Ca 0.15 1.83 0.00 0.00 -1.00 0.00 0.00 55.73 56.72 2yuy s ARG 49 Cb -0.06 -4.21 0.00 0.00 0.00 0.00 0.00 34.95 30.68 2yuy s ARG 49 CO -0.21 -1.67 0.00 0.41 0.00 0.00 0.00 175.30 173.83 2yuy n GLY 50 N 5.22 -1.42 3.46 8.12 0.00 -1.26 -4.86 105.19 114.45 2yuy n GLY 50 Ca 0.24 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 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 0.35 -0.33 1.41 -0.02 0.00 -1.26 -4.00 105.19 101.34 2yuy n GLY 51 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.12 2yuy n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yuy n LYS 52 N 8.35 0.00 -2.16 1.61 0.00 -1.26 -5.03 118.16 119.67 2yuy n LYS 52 Ca 0.60 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.60 2yuy n LYS 52 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.05 2yuy n LYS 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2yuy n GLN 53 N -3.29 1.92 -0.04 1.64 6.02 -1.26 -4.67 117.38 117.71 2yuy n GLN 53 Ca 0.00 -2.63 -0.14 0.00 -0.01 0.00 0.00 57.00 54.22 2yuy n GLN 53 Cb 0.00 -3.68 -0.12 0.00 1.02 0.00 0.00 30.24 27.46 2yuy n GLN 53 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2yuy h ARG 54 N 9.26 0.06 -4.17 -1.09 1.12 -1.95 -3.46 114.38 114.15 2yuy h ARG 54 Ca 0.27 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.07 2yuy h ARG 54 Cb 0.92 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.90 2yuy h ARG 54 CO 1.28 0.82 -0.93 0.09 -3.11 0.00 0.00 179.97 178.12 2yuy n ASN 55 N -4.64 -8.98 -0.60 -3.80 4.13 -1.26 -4.89 115.26 95.22 2yuy n ASN 55 Ca -0.09 1.33 0.00 0.00 1.68 0.00 0.00 54.58 57.50 2yuy n ASN 55 Cb 0.42 -4.95 0.00 0.00 -1.54 0.00 0.00 39.78 33.71 2yuy n ASN 55 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2yuy n ARG 56 N 1.35 0.00 -2.22 3.52 0.63 -1.26 -4.87 116.66 113.81 2yuy n ARG 56 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 2yuy n ARG 56 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 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 0.00 -3.51 6.15 7.99 -1.26 -5.15 117.00 121.22 2yuy n LEU 57 Ca 0.00 -1.20 -0.09 0.00 -0.01 0.00 0.00 56.01 54.72 2yuy n LEU 57 Cb 0.00 -0.10 -0.02 0.00 -0.11 0.00 0.00 43.42 43.19 2yuy n LEU 57 CO 0.00 -0.49 0.69 -1.83 -1.51 0.00 0.00 177.39 174.25 2yuy s GLU 58 N -3.08 0.80 0.00 3.23 -1.05 -1.26 -4.94 118.70 112.40 2yuy s GLU 58 Ca 0.20 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 2yuy s GLU 58 Cb -0.02 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 2yuy s GLU 58 CO 0.13 -0.35 0.02 -0.35 0.95 0.00 0.00 175.26 175.66 2yuy n PRO 59 N -0.19 0.00 -3.20 -4.83 -0.04 -1.26 -5.00 135.00 120.48 2yuy n PRO 59 Ca -0.09 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.15 2yuy n PRO 59 Cb 0.61 -0.20 0.02 0.00 -0.04 0.00 0.00 33.50 33.90 2yuy n PRO 59 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2yuy n MET 60 N -0.08 -2.10 0.00 0.54 1.56 -1.26 -4.99 117.12 110.79 2yuy n MET 60 Ca 0.00 1.73 -0.00 0.00 -0.27 0.00 0.00 57.70 59.16 2yuy n MET 60 Cb 0.00 -3.88 -0.00 0.00 2.15 0.00 0.00 33.22 31.49 2yuy n MET 60 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2yuy n ASP 61 N -0.40 0.12 -3.81 6.12 2.03 -1.26 -5.09 116.55 114.25 2yuy n ASP 61 Ca 0.00 0.02 -0.08 0.00 0.52 0.00 0.00 54.79 55.25 2yuy n ASP 61 Cb 0.58 -0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.82 2yuy n ASP 61 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2yuy s THR 62 N -1.11 0.00 0.17 5.18 2.01 -1.26 -5.02 115.64 115.60 2yuy s THR 62 Ca -0.01 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 60.87 2yuy s THR 62 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2yuy s THR 62 CO 0.01 0.00 0.21 -0.63 -0.69 0.00 0.00 174.62 173.52 2yuy s ILE 63 N -3.80 4.86 -0.04 1.82 1.09 -1.26 -5.03 121.20 118.84 2yuy s ILE 63 Ca 0.16 -0.93 -0.05 0.00 -1.10 0.00 0.00 60.65 58.72 2yuy s ILE 63 Cb -0.04 -3.50 0.01 0.00 -1.06 0.00 0.00 42.46 37.87 2yuy s ILE 63 CO 0.09 -0.12 0.14 -0.36 -0.10 0.00 0.00 174.94 174.58 2yuy s PHE 64 N -1.78 -0.11 0.63 3.97 0.40 -1.26 -2.09 117.98 117.75 2yuy s PHE 64 Ca 0.33 0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 56.76 2yuy s PHE 64 Cb -0.10 0.03 -0.01 0.00 0.51 0.00 0.00 43.02 43.44 2yuy s PHE 64 CO 0.26 -0.11 1.13 0.08 0.70 0.00 0.00 175.22 177.28 2yuy s VAL 65 N -0.21 3.07 0.00 -0.44 1.01 -0.55 -3.62 120.40 119.65 2yuy s VAL 65 Ca -0.03 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2yuy s VAL 65 Cb -0.02 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2yuy s VAL 65 CO 0.00 -0.25 0.00 1.17 0.00 0.00 0.00 175.10 176.02 2yuy n LYS 66 N -2.12 0.00 -4.42 2.72 4.81 0.15 -3.75 118.16 115.55 2yuy n LYS 66 Ca 0.11 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.35 2yuy n LYS 66 Cb 0.51 -0.21 -0.10 0.00 0.02 0.00 0.00 35.03 35.25 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2yuy s GLN 67 N -0.89 1.58 -0.06 1.64 -0.21 -1.23 -4.71 119.66 115.77 2yuy s GLN 67 Ca 0.00 -1.86 -0.01 0.00 0.02 0.00 0.00 55.36 53.51 2yuy s GLN 67 Cb 0.00 -0.79 0.03 0.00 1.00 0.00 0.00 33.01 33.25 2yuy s GLN 67 CO 0.00 -0.17 0.01 0.08 -2.12 0.00 0.00 175.29 173.08 2yuy s VAL 68 N -3.34 0.27 -0.24 1.09 1.01 -1.26 -2.34 120.40 115.59 2yuy s VAL 68 Ca 0.35 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 2yuy s VAL 68 Cb 0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 2yuy s VAL 68 CO 0.14 0.22 1.71 -0.75 0.00 0.00 0.00 175.10 176.42 2yuy s LYS 69 N 1.70 3.66 -0.71 2.72 2.47 -1.26 -4.89 119.74 123.43 2yuy s LYS 69 Ca 0.00 1.66 -0.26 0.00 -1.56 0.00 0.00 55.97 55.82 2yuy s LYS 69 Cb -0.13 -4.10 -0.05 0.00 -1.46 0.00 0.00 37.83 32.09 2yuy s LYS 69 CO -0.04 -1.46 2.05 -2.00 0.16 0.00 0.00 175.35 174.06 2yuy s GLU 70 N 5.00 2.38 0.00 4.03 2.12 -1.26 -1.34 118.70 129.63 2yuy s GLU 70 Ca 0.76 0.42 0.00 0.00 0.36 0.00 0.00 54.97 56.51 2yuy s GLU 70 Cb -0.25 -4.69 0.00 0.00 0.26 0.00 0.00 34.13 29.44 2yuy s GLU 70 CO 0.31 -3.26 0.00 0.41 -0.54 0.00 0.00 175.26 172.18 2yuy n GLY 71 N 6.27 1.82 0.00 -1.50 0.00 -1.26 -5.13 105.19 105.39 2yuy n GLY 71 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.59 4.15 0.16 -0.02 0.00 -0.45 -5.01 105.19 103.42 2yuy n GLY 72 Ca 0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.31 -0.18 1.61 0.13 -1.85 -3.16 132.00 128.25 2yuy h PRO 73 Ca 0.00 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2yuy h PRO 73 Cb 0.00 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 31.13 2yuy h PRO 73 CO 0.00 -0.20 -0.39 0.00 -0.23 0.00 0.00 178.00 177.17 2yuy h ALA 74 N -1.14 -0.50 -0.98 -0.56 0.00 -1.90 0.35 119.26 114.53 2yuy h ALA 74 Ca -0.03 0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.20 2yuy h ALA 74 Cb 0.24 0.75 -0.18 0.00 0.00 0.00 0.00 17.79 18.61 2yuy h ALA 74 CO 0.05 -0.88 0.15 0.34 0.00 0.00 0.00 179.25 178.91 2yuy n PHE 75 N -5.43 0.76 0.23 0.00 7.35 -1.26 -0.26 117.46 118.85 2yuy n PHE 75 Ca -0.03 1.18 -0.13 0.00 -0.76 0.00 0.00 57.45 57.70 2yuy n PHE 75 Cb 0.35 -1.32 -0.07 0.00 0.35 0.00 0.00 39.48 38.79 2yuy n PHE 75 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2yuy h GLU 76 N 0.00 -0.60 -1.73 -4.13 4.39 -0.96 -2.86 114.58 108.69 2yuy h GLU 76 Ca 0.66 0.04 0.53 0.00 0.34 0.00 0.00 59.36 60.92 2yuy h GLU 76 Cb 1.48 0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 30.17 2yuy h GLU 76 CO -0.88 -0.30 1.21 0.00 -1.16 0.00 0.00 179.01 177.89 2yuy n ALA 77 N -2.59 1.67 0.00 3.43 0.00 0.64 -4.66 120.51 119.00 2yuy n ALA 77 Ca -0.10 0.70 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2yuy n ALA 77 Cb 0.30 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2yuy n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yuy n GLY 78 N -1.77 1.05 2.95 0.00 0.00 -0.46 -4.85 105.19 102.11 2yuy n GLY 78 Ca 0.42 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.03 -5.01 117.00 119.89 2yuy n LEU 79 Ca 0.00 -0.52 -0.00 0.00 -1.11 0.00 0.00 56.01 54.37 2yuy n LEU 79 Cb 0.00 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.16 2yuy n LEU 79 CO 0.00 -2.50 0.03 0.00 -1.11 0.00 0.00 177.39 173.81 2yuy s THR 81 N -2.90 4.93 0.00 0.00 -4.23 -1.26 -4.23 115.64 107.95 2yuy s THR 81 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2yuy s THR 81 Cb -0.00 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2yuy s THR 81 CO 0.00 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2yuy n GLY 82 N 2.58 0.75 3.76 3.99 0.00 -1.25 -5.02 105.19 110.01 2yuy n GLY 82 Ca -0.18 0.00 -0.41 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 -2.49 7.01 -0.15 1.61 1.01 -1.26 -4.75 116.67 117.65 2yuy s ASP 83 Ca 0.00 2.44 -0.16 0.00 0.71 0.00 0.00 52.55 55.54 2yuy s ASP 83 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2yuy s ASP 83 CO 0.00 -0.37 0.40 -0.60 0.21 0.00 0.00 175.17 174.81 2yuy s ARG 84 N -1.21 4.29 0.01 8.23 3.52 -1.26 -1.48 118.95 131.04 2yuy s ARG 84 Ca 0.49 0.28 -0.27 0.00 -0.13 0.00 0.00 55.73 56.10 2yuy s ARG 84 Cb -0.36 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 2yuy s ARG 84 CO 0.44 0.15 0.86 0.42 -0.81 0.00 0.00 175.30 176.36 2yuy s ILE 85 N 0.69 4.83 -0.05 4.11 -1.09 -0.89 -3.49 121.20 125.31 2yuy s ILE 85 Ca 0.21 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 2yuy s ILE 85 Cb -0.14 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 2yuy s ILE 85 CO 0.08 0.25 -0.05 2.30 -1.23 0.00 0.00 174.94 176.29 2yuy n ILE 86 N 3.45 0.31 -4.24 2.92 -5.35 0.38 -4.32 119.36 112.51 2yuy n ILE 86 Ca 0.02 -0.12 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 2yuy n ILE 86 Cb 0.51 -0.73 -0.10 0.00 -1.74 0.00 0.00 39.64 37.57 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 -2.11 1.13 -0.29 6.28 1.02 -1.18 -3.50 119.74 121.09 2yuy s LYS 87 Ca -0.07 -1.55 0.01 0.00 0.02 0.00 0.00 55.97 54.38 2yuy s LYS 87 Cb 0.02 -0.24 0.15 0.00 -0.52 0.00 0.00 37.83 37.24 2yuy s LYS 87 CO 0.12 -0.15 0.38 0.08 -0.92 0.00 0.00 175.35 174.86 2yuy s VAL 88 N -3.68 -0.57 -0.69 3.17 1.01 -0.39 -2.47 120.40 116.78 2yuy s VAL 88 Ca 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2yuy s VAL 88 Cb 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2yuy s VAL 88 CO 0.05 -0.33 0.44 0.59 0.00 0.00 0.00 175.10 175.85 2yuy n ASN 89 N 5.34 -3.93 -0.43 3.32 3.02 0.24 -2.26 115.26 120.56 2yuy n ASN 89 Ca -0.00 -0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.29 2yuy n ASN 89 Cb 0.48 -2.63 -0.02 0.00 -0.61 0.00 0.00 39.78 37.00 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 -1.17 0.75 3.72 7.41 0.00 -1.26 -4.99 105.19 109.65 2yuy n GLY 90 Ca -0.02 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 3.01 -0.28 1.61 0.41 -0.96 -5.07 118.70 115.41 2yuy s GLU 91 Ca 0.00 -0.43 -0.28 0.00 -0.41 0.00 0.00 54.97 53.85 2yuy s GLU 91 Cb 0.00 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.54 2yuy s GLU 91 CO 0.00 0.69 1.01 -1.12 -0.49 0.00 0.00 175.26 175.35 2yuy s SER 92 N -1.18 6.94 0.34 -0.19 0.01 -1.26 -1.27 113.70 117.09 2yuy s SER 92 Ca 0.16 1.10 0.09 0.00 1.31 0.00 0.00 55.95 58.61 2yuy s SER 92 Cb -0.12 -2.52 0.61 0.00 0.21 0.00 0.00 66.02 64.20 2yuy s SER 92 CO 0.06 -0.75 1.79 -0.37 0.41 0.00 0.00 173.24 174.38 2yuy h VAL 93 N 5.60 1.26 -0.95 3.43 -1.51 -1.92 -3.42 116.25 118.74 2yuy h VAL 93 Ca -0.21 -1.25 -0.58 0.00 -1.23 0.00 0.00 66.70 63.43 2yuy h VAL 93 Cb 1.07 1.55 -0.03 0.00 -2.13 0.00 0.00 31.29 31.74 2yuy h VAL 93 CO 0.98 0.37 1.56 -0.38 -1.23 0.00 0.00 177.57 178.88 2yuy n ILE 94 N -4.11 0.06 0.00 7.19 -0.00 -1.26 -0.52 119.36 120.72 2yuy n ILE 94 Ca -0.01 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.40 2yuy n ILE 94 Cb 0.40 -1.67 0.00 0.00 -0.00 0.00 0.00 39.64 38.37 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 6.41 1.82 3.51 7.39 0.00 -1.26 -5.13 105.19 117.93 2yuy n GLY 95 Ca 0.46 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 2yuy n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuy s LYS 96 N -0.12 1.76 -0.35 1.61 1.02 0.32 -5.08 119.74 118.90 2yuy s LYS 96 Ca 0.00 -1.99 0.14 0.00 0.02 0.00 0.00 55.97 54.14 2yuy s LYS 96 Cb 0.00 -1.14 0.45 0.00 -0.52 0.00 0.00 37.83 36.62 2yuy s LYS 96 CO 0.00 -0.14 1.03 -2.37 -0.92 0.00 0.00 175.35 172.95 2yuy n THR 97 N -0.79 1.54 0.00 2.17 5.66 -1.26 -4.96 114.28 116.65 2yuy n THR 97 Ca -0.03 -3.72 0.00 0.00 -3.05 0.00 0.00 64.05 57.24 2yuy n THR 97 Cb 0.67 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.27 0.00 -0.06 1.09 9.36 -1.26 -4.16 117.16 121.86 2yuy n TYR 98 Ca 0.20 0.00 0.25 0.00 3.32 0.00 0.00 57.90 61.67 2yuy n TYR 98 Cb 0.77 0.00 0.66 0.00 -0.63 0.00 0.00 39.34 40.14 2yuy n TYR 98 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2yuy h SER 99 N 0.00 0.00 0.03 2.98 4.64 -1.98 0.78 113.55 120.00 2yuy h SER 99 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yuy h SER 99 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2yuy h SER 99 CO 0.00 0.00 -0.01 1.56 -0.87 0.00 0.00 176.83 177.51 2yuy h GLN 100 N 0.00 -0.04 -0.98 4.77 4.20 -1.95 -2.96 115.11 118.15 2yuy h GLN 100 Ca 0.34 0.00 0.22 0.00 0.06 0.00 0.00 58.65 59.27 2yuy h GLN 100 Cb 1.82 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 29.52 2yuy h GLN 100 CO -0.00 -0.02 0.63 -0.39 -0.67 0.00 0.00 178.83 178.37 2yuy h VAL 101 N -0.28 0.64 -0.30 -0.54 -1.51 -1.68 0.28 116.25 112.86 2yuy h VAL 101 Ca -0.00 -0.17 0.05 0.00 -1.23 0.00 0.00 66.70 65.34 2yuy h VAL 101 Cb 0.03 0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 29.23 2yuy h VAL 101 CO 0.01 0.09 0.04 0.40 -1.23 0.00 0.00 177.57 176.88 2yuy h ILE 102 N 0.51 0.83 -0.76 7.19 1.08 0.43 -0.52 117.51 126.26 2yuy h ILE 102 Ca 0.54 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.95 2yuy h ILE 102 Cb 1.20 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 2yuy h ILE 102 CO -0.27 0.03 0.41 0.00 -0.69 0.00 0.00 178.15 177.62 2yuy h ALA 103 N 1.23 1.29 -0.19 1.87 0.00 -0.33 0.10 119.26 123.24 2yuy h ALA 103 Ca 0.14 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2yuy h ALA 103 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2yuy h ALA 103 CO -0.20 0.57 0.14 -0.07 0.00 0.00 0.00 179.25 179.69 2yuy h LEU 104 N 1.06 0.00 0.07 0.00 3.38 0.17 1.41 115.31 121.41 2yuy h LEU 104 Ca 0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 2yuy h LEU 104 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2yuy h LEU 104 CO -0.04 0.00 -0.74 0.40 0.09 0.00 0.00 178.44 178.14 2yuy h ILE 105 N 0.00 1.43 0.00 1.22 2.04 0.12 -2.17 117.51 120.15 2yuy h ILE 105 Ca 0.09 -2.41 -0.04 0.00 1.00 0.00 0.00 64.86 63.51 2yuy h ILE 105 Cb 0.37 3.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 2yuy h ILE 105 CO -0.00 0.63 -0.18 1.56 0.00 0.00 0.00 178.15 180.16 2yuy h GLN 106 N -0.63 0.00 -0.46 2.37 4.20 -0.01 -1.38 115.11 119.20 2yuy h GLN 106 Ca -0.16 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.42 2yuy h GLN 106 Cb 1.43 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.13 2yuy h GLN 106 CO 0.04 0.18 0.09 0.09 -0.67 0.00 0.00 178.83 178.56 2yuy n ASN 107 N -3.83 3.83 -0.15 1.46 3.02 0.48 -4.37 115.26 115.69 2yuy n ASN 107 Ca -0.02 -3.30 0.14 0.00 -0.03 0.00 0.00 54.58 51.37 2yuy n ASN 107 Cb 0.28 -0.64 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 -0.24 -2.62 0.00 0.00 177.26 174.40 2yuy n SER 108 N -0.58 0.67 0.00 6.41 2.88 -0.52 -4.92 113.62 117.57 2yuy n SER 108 Ca 0.32 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 2yuy n SER 108 Cb 1.11 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yuy n ASP 109 N -0.89 0.00 -0.34 -3.46 2.03 -1.26 -3.97 116.55 108.65 2yuy n ASP 109 Ca 0.13 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.41 2yuy n ASP 109 Cb 0.31 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.81 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 1.25 -2.58 5.18 2.02 -1.96 -3.43 112.91 113.40 2yuy h THR 110 Ca 0.00 -0.49 -0.55 0.00 0.77 0.00 0.00 66.41 66.15 2yuy h THR 110 Cb 0.00 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.28 2yuy h THR 110 CO 0.00 0.25 -0.49 0.42 0.37 0.00 0.00 175.52 176.07 2yuy s THR 111 N -6.05 5.15 -0.15 3.16 -4.23 -1.25 0.93 115.64 113.19 2yuy s THR 111 Ca -0.13 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.55 2yuy s THR 111 Cb 0.17 -3.65 0.07 0.00 1.34 0.00 0.00 72.50 70.43 2yuy s THR 111 CO 0.81 -0.10 0.29 -0.22 -0.54 0.00 0.00 174.62 174.86 2yuy s LEU 112 N -3.23 -0.35 -0.05 4.79 1.98 0.35 -4.62 118.68 117.56 2yuy s LEU 112 Ca 0.34 0.58 -0.04 0.00 -2.89 0.00 0.00 54.13 52.12 2yuy s LEU 112 Cb -0.11 0.79 -0.04 0.00 0.66 0.00 0.00 46.19 47.49 2yuy s LEU 112 CO 0.27 -0.25 0.14 -0.70 -1.89 0.00 0.00 176.35 173.93 2yuy s GLU 113 N 2.45 3.34 0.00 1.98 -6.30 -1.26 0.60 118.70 119.51 2yuy s GLU 113 Ca 0.02 -0.29 0.00 0.00 -2.50 0.00 0.00 54.97 52.20 2yuy s GLU 113 Cb -0.12 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 30.94 2yuy s GLU 113 CO -0.10 0.71 0.00 1.28 0.02 0.00 0.00 175.26 177.17 2yuy n LEU 114 N 1.41 0.00 -3.64 2.70 4.77 0.19 -0.59 117.00 121.84 2yuy n LEU 114 Ca -0.15 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 2yuy n LEU 114 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2yuy n LEU 114 CO 0.37 0.00 0.72 -0.44 -1.33 0.00 0.00 177.39 176.71 2yuy s SER 115 N -0.82 -0.47 0.00 -1.43 0.01 -1.03 -2.63 113.70 107.33 2yuy s SER 115 Ca 0.00 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2yuy s SER 115 Cb 0.00 1.07 0.00 0.00 0.21 0.00 0.00 66.02 67.30 2yuy s SER 115 CO 0.00 -0.13 0.00 1.33 0.41 0.00 0.00 173.24 174.85 2yuy n VAL 116 N 3.18 0.00 -3.52 3.43 0.24 -0.98 -0.47 118.33 120.21 2yuy n VAL 116 Ca -0.16 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.93 2yuy n VAL 116 Cb 0.57 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.80 2yuy n VAL 116 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2yuy s MET 117 N -0.18 0.16 0.50 7.34 -1.94 -1.23 -2.21 119.30 121.75 2yuy s MET 117 Ca 0.00 0.14 -0.19 0.00 -1.71 0.00 0.00 55.69 53.93 2yuy s MET 117 Cb 0.00 -1.34 -0.08 0.00 2.01 0.00 0.00 34.83 35.42 2yuy s MET 117 CO 0.00 -0.65 1.04 -1.25 -0.01 0.00 0.00 175.02 174.15 2yuy s PRO 118 N 2.28 3.72 0.21 2.03 0.04 -1.26 -4.74 135.00 137.28 2yuy s PRO 118 Ca 0.06 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.48 2yuy s PRO 118 Cb -0.16 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2yuy s PRO 118 CO -0.11 -0.49 0.15 0.15 0.04 0.00 0.00 177.00 176.73 2yuy s LYS 119 N -3.40 2.84 -0.01 4.56 1.02 -1.26 -5.05 119.74 118.45 2yuy s LYS 119 Ca 0.66 -1.00 -0.23 0.00 0.02 0.00 0.00 55.97 55.42 2yuy s LYS 119 Cb -0.16 -2.56 -0.15 0.00 -0.52 0.00 0.00 37.83 34.44 2yuy s LYS 119 CO 0.23 0.44 1.06 -0.44 -0.92 0.00 0.00 175.35 175.72 2yuy h ASP 120 N 1.98 -0.46 -4.26 2.83 3.32 -2.08 -3.44 116.42 114.32 2yuy h ASP 120 Ca -0.48 -0.12 -0.52 0.00 0.02 0.00 0.00 57.03 55.93 2yuy h ASP 120 Cb 1.22 0.12 0.16 0.00 0.22 0.00 0.00 39.33 41.05 2yuy h ASP 120 CO 0.61 -0.05 0.31 -0.55 -1.72 0.00 0.00 179.24 177.84 2yuy s SER 121 N -4.96 3.92 0.00 6.45 0.15 -1.26 -4.97 113.70 113.04 2yuy s SER 121 Ca -0.13 2.09 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2yuy s SER 121 Cb 0.02 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2yuy s SER 121 CO 0.46 -2.43 0.00 0.61 1.20 0.00 0.00 173.24 173.08 2yuy n GLY 122 N -0.29 2.69 3.80 9.45 0.00 -1.26 -5.15 105.19 114.43 2yuy n GLY 122 Ca 0.11 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.88 1.84 0.40 1.61 0.04 -1.26 -4.87 135.00 131.88 2yuy s PRO 123 Ca 0.00 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2yuy s PRO 123 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2yuy s PRO 123 CO 0.00 -1.77 0.00 0.43 0.04 0.00 0.00 177.00 175.70 2yuy n SER 124 N -3.52 -6.44 -0.08 6.66 7.64 -1.26 -4.98 113.62 111.64 2yuy n SER 124 Ca 0.07 1.03 -0.08 0.00 1.01 0.00 0.00 58.87 60.90 2yuy n SER 124 Cb 0.57 -3.29 -0.03 0.00 -1.01 0.00 0.00 64.21 60.45 2yuy n SER 124 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yuy n SER 125 N -1.30 1.86 0.00 6.43 2.88 -1.26 -5.24 113.62 116.99 2yuy n SER 125 Ca 0.00 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2yuy n SER 125 Cb 0.09 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2yuy n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42