#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 -2.47 -1.49 1.61 3.41 -1.26 -5.17 113.62 108.25 2yuy n SER 2 Ca 0.00 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 2yuy n SER 2 Cb 0.00 2.41 -0.06 0.00 -0.26 0.00 0.00 64.21 66.30 2yuy n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yuy n SER 3 N -3.30 -7.83 -0.14 4.04 7.64 -1.26 -5.00 113.62 107.78 2yuy n SER 3 Ca 0.00 1.59 0.02 0.00 1.01 0.00 0.00 58.87 61.48 2yuy n SER 3 Cb 0.00 -4.97 -0.00 0.00 -1.01 0.00 0.00 64.21 58.23 2yuy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 4 N -3.64 -2.22 3.06 0.23 0.00 -1.26 -5.01 105.19 96.35 2yuy n GLY 4 Ca -0.06 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 2yuy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuy s SER 5 N -2.59 0.33 -0.28 1.61 0.15 -1.26 -5.14 113.70 106.52 2yuy s SER 5 Ca 0.00 -0.72 0.02 0.00 0.70 0.00 0.00 55.95 55.95 2yuy s SER 5 Cb 0.00 0.17 0.17 0.00 -1.71 0.00 0.00 66.02 64.65 2yuy s SER 5 CO 0.00 -0.48 0.47 -0.55 1.20 0.00 0.00 173.24 173.88 2yuy s SER 6 N -2.25 -0.32 1.22 5.45 0.15 -1.26 -5.16 113.70 111.53 2yuy s SER 6 Ca -0.03 -0.00 -0.18 0.00 0.70 0.00 0.00 55.95 56.43 2yuy s SER 6 Cb -0.00 1.45 0.25 0.00 -1.71 0.00 0.00 66.02 66.01 2yuy s SER 6 CO -0.06 -0.32 0.55 0.61 1.20 0.00 0.00 173.24 175.22 2yuy n GLY 7 N 5.38 -2.91 0.00 9.45 0.00 -1.26 -4.52 105.19 111.32 2yuy n GLY 7 Ca 0.01 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2yuy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 8 N 1.97 2.34 3.80 -0.02 0.00 -1.26 -5.07 105.19 106.95 2yuy n GLY 8 Ca 0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2yuy n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 9 N 0.00 1.73 -0.14 1.61 0.04 -1.26 -4.57 135.00 132.41 2yuy s PRO 9 Ca 0.00 0.52 -0.00 0.00 0.04 0.00 0.00 61.00 61.56 2yuy s PRO 9 Cb 0.00 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.68 2yuy s PRO 9 CO 0.00 -1.84 -0.11 -1.59 0.04 0.00 0.00 177.00 173.51 2yuy s LYS 10 N -5.20 1.91 -0.17 4.56 -2.85 -0.70 -4.98 119.74 112.32 2yuy s LYS 10 Ca 0.62 -0.46 -0.13 0.00 -1.00 0.00 0.00 55.97 55.00 2yuy s LYS 10 Cb -0.15 -1.92 -0.05 0.00 -2.06 0.00 0.00 37.83 33.66 2yuy s LYS 10 CO 0.54 -0.28 0.26 0.99 0.10 0.00 0.00 175.35 176.96 2yuy s THR 11 N 1.58 5.32 0.01 3.79 2.01 -1.26 -1.77 115.64 125.32 2yuy s THR 11 Ca 0.04 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.58 2yuy s THR 11 Cb -0.13 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2yuy s THR 11 CO -0.09 0.39 -0.16 0.68 -0.69 0.00 0.00 174.62 174.74 2yuy s VAL 12 N 0.50 1.30 0.05 3.82 -7.23 -0.56 -4.99 120.40 113.30 2yuy s VAL 12 Ca 0.15 -0.83 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 2yuy s VAL 12 Cb -0.13 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 2yuy s VAL 12 CO 0.03 0.27 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.16 2yuy s THR 13 N -0.53 3.81 0.13 5.32 2.01 -1.26 0.99 115.64 126.11 2yuy s THR 13 Ca 0.06 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.17 2yuy s THR 13 Cb -0.07 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 2yuy s THR 13 CO 0.00 0.24 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.33 2yuy s LEU 14 N -1.92 2.48 -0.11 4.42 1.02 0.19 -4.46 118.68 120.31 2yuy s LEU 14 Ca 0.21 -1.03 -0.00 0.00 0.02 0.00 0.00 54.13 53.34 2yuy s LEU 14 Cb -0.11 -0.19 0.02 0.00 0.02 0.00 0.00 46.19 45.93 2yuy s LEU 14 CO 0.13 -0.42 -0.09 -0.54 0.02 0.00 0.00 176.35 175.46 2yuy s LYS 15 N -3.80 1.61 -0.45 1.70 1.02 -1.26 0.21 119.74 118.75 2yuy s LYS 15 Ca 0.15 -0.29 -0.40 0.00 0.02 0.00 0.00 55.97 55.45 2yuy s LYS 15 Cb 0.04 -1.62 -0.17 0.00 -0.52 0.00 0.00 37.83 35.56 2yuy s LYS 15 CO -0.02 -0.24 1.85 -2.13 -0.92 0.00 0.00 175.35 173.90 2yuy n ARG 16 N 4.84 0.00 0.01 1.68 0.63 0.21 -4.73 116.66 119.29 2yuy n ARG 16 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2yuy n ARG 16 Cb 0.50 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.05 2yuy n ARG 16 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2yuy n THR 17 N 5.49 0.21 -4.38 5.15 -2.24 -1.26 -5.03 114.28 112.21 2yuy n THR 17 Ca 0.46 0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 62.14 2yuy n THR 17 Cb -0.04 -1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 66.74 2yuy n THR 17 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2yuy n SER 18 N -3.05 2.68 -0.12 3.42 3.41 -1.26 -4.97 113.62 113.72 2yuy n SER 18 Ca 0.00 -2.13 -0.12 0.00 -0.26 0.00 0.00 58.87 56.36 2yuy n SER 18 Cb 0.37 0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.43 2yuy n SER 18 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2yuy h GLN 19 N 0.00 -0.37 -1.46 4.33 4.15 -2.00 -2.95 115.11 116.81 2yuy h GLN 19 Ca -0.21 0.03 -0.56 0.00 0.77 0.00 0.00 58.65 58.67 2yuy h GLN 19 Cb 0.65 0.08 -0.42 0.00 0.21 0.00 0.00 27.48 28.01 2yuy h GLN 19 CO 0.35 -0.25 -0.79 0.41 -1.93 0.00 0.00 178.83 176.63 2yuy n GLY 20 N -1.40 5.47 0.84 2.39 0.00 -1.26 -5.04 105.19 106.20 2yuy n GLY 20 Ca -0.02 -2.59 0.11 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.43 -2.00 0.00 1.61 3.72 -1.12 -4.52 117.46 114.72 2yuy n PHE 21 Ca 0.35 1.01 0.00 0.00 -0.05 0.00 0.00 57.45 58.76 2yuy n PHE 21 Cb 0.68 -1.82 0.00 0.00 -0.94 0.00 0.00 39.48 37.40 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 -2.69 -3.01 3.20 1.37 0.00 -1.26 -4.71 105.19 98.09 2yuy n GLY 22 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.87 -1.69 -3.51 1.61 -1.74 -1.26 -4.08 117.46 105.92 2yuy n PHE 23 Ca 0.00 0.10 -0.11 0.00 -0.56 0.00 0.00 57.45 56.88 2yuy n PHE 23 Cb 0.00 -1.50 -0.03 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 -2.18 0.02 0.51 1.97 -1.32 -1.08 -4.92 115.64 108.64 2yuy s THR 24 Ca 0.51 -0.22 0.06 0.00 -1.21 0.00 0.00 61.69 60.82 2yuy s THR 24 Cb -0.09 -1.10 0.02 0.00 -1.51 0.00 0.00 72.50 69.82 2yuy s THR 24 CO 0.58 -0.09 0.36 -0.76 -2.21 0.00 0.00 174.62 172.49 2yuy s LEU 25 N -2.78 2.83 0.38 9.08 2.01 -1.26 0.70 118.68 129.65 2yuy s LEU 25 Ca 0.02 -1.17 0.08 0.00 0.01 0.00 0.00 54.13 53.07 2yuy s LEU 25 Cb -0.00 -1.32 -0.06 0.00 0.01 0.00 0.00 46.19 44.81 2yuy s LEU 25 CO -0.12 -0.96 0.04 -0.60 1.01 0.00 0.00 176.35 175.72 2yuy s ARG 26 N -4.19 2.04 -0.51 1.70 3.52 -1.25 -4.70 118.95 115.55 2yuy s ARG 26 Ca 0.36 -1.92 -0.02 0.00 -0.13 0.00 0.00 55.73 54.02 2yuy s ARG 26 Cb -0.01 -1.81 0.30 0.00 -1.56 0.00 0.00 34.95 31.86 2yuy s ARG 26 CO 0.22 0.01 2.11 0.72 -0.81 0.00 0.00 175.30 177.55 2yuy n HIS 27 N -1.01 2.33 -0.53 5.12 8.25 -1.26 -4.95 115.22 123.17 2yuy n HIS 27 Ca -0.04 -2.41 -0.13 0.00 -0.26 0.00 0.00 57.72 54.88 2yuy n HIS 27 Cb 0.65 -1.22 0.13 0.00 1.12 0.00 0.00 29.99 30.66 2yuy n HIS 27 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2yuy n PHE 28 N -0.16 -2.37 -1.73 4.41 1.16 -1.26 -4.64 117.46 112.87 2yuy n PHE 28 Ca 0.47 0.04 -0.37 0.00 -1.87 0.00 0.00 57.45 55.71 2yuy n PHE 28 Cb 0.58 -1.36 -0.03 0.00 -1.61 0.00 0.00 39.48 37.06 2yuy n PHE 28 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2yuy s ILE 29 N -2.05 3.13 -0.07 1.97 1.01 -1.26 -4.66 121.20 119.27 2yuy s ILE 29 Ca 0.29 0.08 0.09 0.00 0.00 0.00 0.00 60.65 61.12 2yuy s ILE 29 Cb -0.05 -3.33 -0.14 0.00 0.01 0.00 0.00 42.46 38.95 2yuy s ILE 29 CO 0.24 -0.32 0.10 1.33 0.00 0.00 0.00 174.94 176.29 2yuy n VAL 30 N 7.72 0.47 -3.32 2.92 0.24 -1.26 -4.71 118.33 120.39 2yuy n VAL 30 Ca 0.31 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 2yuy n VAL 30 Cb 0.53 -0.43 0.01 0.00 -1.47 0.00 0.00 33.84 32.48 2yuy n VAL 30 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2yuy n TYR 31 N -2.22 -2.59 -2.54 6.34 4.02 -1.26 -4.95 117.16 113.96 2yuy n TYR 31 Ca -0.12 0.96 -0.35 0.00 -0.01 0.00 0.00 57.90 58.38 2yuy n TYR 31 Cb 0.66 -3.73 -0.04 0.00 -0.02 0.00 0.00 39.34 36.22 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 -3.94 3.92 0.97 -0.72 0.04 -1.26 -5.05 135.00 128.96 2yuy s PRO 32 Ca 0.10 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 2yuy s PRO 32 Cb -0.03 -2.24 0.17 0.00 0.04 0.00 0.00 34.50 32.44 2yuy s PRO 32 CO 0.80 -0.34 1.16 -1.25 0.04 0.00 0.00 177.00 177.41 2yuy s PRO 33 N -2.98 0.68 0.45 0.56 0.04 -1.26 -5.05 135.00 127.44 2yuy s PRO 33 Ca 0.64 0.11 -0.08 0.00 0.04 0.00 0.00 61.00 61.71 2yuy s PRO 33 Cb -0.18 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2yuy s PRO 33 CO 0.23 -2.48 0.80 -1.83 0.04 0.00 0.00 177.00 173.76 2yuy s GLU 34 N -5.40 3.67 -0.93 4.56 -1.05 -1.26 -3.92 118.70 114.37 2yuy s GLU 34 Ca 0.67 0.39 -0.12 0.00 -0.15 0.00 0.00 54.97 55.76 2yuy s GLU 34 Cb -0.12 -2.36 0.12 0.00 -0.44 0.00 0.00 34.13 31.33 2yuy s GLU 34 CO 0.54 -0.15 0.30 0.45 0.95 0.00 0.00 175.26 177.34 2yuy n SER 35 N -1.79 -1.40 -3.87 0.83 2.88 -1.26 -4.80 113.62 104.21 2yuy n SER 35 Ca 0.02 -0.36 -0.36 0.00 -1.33 0.00 0.00 58.87 56.84 2yuy n SER 35 Cb 0.54 -1.29 -0.04 0.00 -0.75 0.00 0.00 64.21 62.67 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 -3.25 4.40 -2.00 -1.46 0.00 -1.25 -4.88 120.51 112.06 2yuy n ALA 36 Ca 0.06 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.77 2yuy n ALA 36 Cb 0.47 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.50 0.00 -2.55 0.00 2.08 -1.26 -4.89 119.36 114.23 2yuy n ILE 37 Ca 0.26 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.54 2yuy n ILE 37 Cb 0.37 -0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 2yuy n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yuy n GLN 38 N 0.00 -1.40 -3.90 0.38 3.00 -1.26 -5.04 117.38 109.16 2yuy n GLN 38 Ca 0.00 1.49 -0.24 0.00 -0.01 0.00 0.00 57.00 58.23 2yuy n GLN 38 Cb 0.00 -4.59 -0.03 0.00 0.00 0.00 0.00 30.24 25.63 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 -2.54 3.47 -0.46 1.08 5.36 -1.26 -5.07 117.98 118.56 2yuy s PHE 39 Ca 0.10 0.11 -0.16 0.00 -0.96 0.00 0.00 56.93 56.02 2yuy s PHE 39 Cb -0.03 -1.66 0.06 0.00 -0.34 0.00 0.00 43.02 41.04 2yuy s PHE 39 CO 0.56 0.46 0.38 0.45 -1.46 0.00 0.00 175.22 175.61 2yuy s SER 40 N -3.52 6.14 0.06 6.13 0.15 -1.26 -4.67 113.70 116.74 2yuy s SER 40 Ca 0.35 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2yuy s SER 40 Cb -0.10 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2yuy s SER 40 CO 0.29 -0.60 0.00 0.00 1.20 0.00 0.00 173.24 174.13 2yuy n TYR 41 N 5.26 -1.97 -2.76 3.44 9.36 -1.26 -4.99 117.16 124.23 2yuy n TYR 41 Ca -0.12 0.21 -0.30 0.00 3.32 0.00 0.00 57.90 61.01 2yuy n TYR 41 Cb 0.45 0.79 -0.02 0.00 -0.63 0.00 0.00 39.34 39.93 2yuy n TYR 41 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2yuy n LYS 42 N -2.34 3.63 -4.28 2.98 3.00 -1.26 -5.02 118.16 114.88 2yuy n LYS 42 Ca 0.00 -4.71 -0.15 0.00 -0.00 0.00 0.00 58.31 53.45 2yuy n LYS 42 Cb 0.00 -2.28 -0.10 0.00 0.00 0.00 0.00 35.03 32.65 2yuy n LYS 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2yuy s ASP 43 N -3.01 1.41 0.13 3.14 1.11 -1.26 -5.14 116.67 113.05 2yuy s ASP 43 Ca 0.47 -1.23 0.08 0.00 0.18 0.00 0.00 52.55 52.05 2yuy s ASP 43 Cb 0.29 0.09 -0.04 0.00 1.07 0.00 0.00 42.92 44.33 2yuy s ASP 43 CO -0.16 -0.58 -0.08 -0.70 1.18 0.00 0.00 175.17 174.82 2yuy s GLU 44 N -3.92 2.15 1.01 8.23 2.56 -1.26 -5.10 118.70 122.37 2yuy s GLU 44 Ca 0.28 -1.09 -0.20 0.00 0.00 0.00 0.00 54.97 53.96 2yuy s GLU 44 Cb 0.06 -2.28 -0.10 0.00 2.00 0.00 0.00 34.13 33.81 2yuy s GLU 44 CO 0.07 0.48 -0.71 0.39 -0.56 0.00 0.00 175.26 174.94 2yuy n GLU 45 N 0.43 -0.26 -2.59 4.30 4.71 -1.26 -4.44 120.64 121.53 2yuy n GLU 45 Ca -0.12 -0.07 -0.04 0.00 -0.01 0.00 0.00 57.16 56.92 2yuy n GLU 45 Cb 0.53 -1.24 -0.03 0.00 -1.01 0.00 0.00 31.44 29.69 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 1.98 -3.29 0.00 1.62 3.02 -1.26 -4.98 115.26 112.35 2yuy n ASN 46 Ca -0.00 1.40 0.00 0.00 -0.03 0.00 0.00 54.58 55.95 2yuy n ASN 46 Cb 0.62 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 2yuy n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuy n GLY 47 N 1.88 -1.97 2.04 7.41 0.00 -1.26 -5.03 105.19 108.26 2yuy n GLY 47 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2yuy n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yuy n ASN 48 N 0.00 -2.48 -3.98 1.61 5.15 -1.26 -5.06 115.26 109.23 2yuy n ASN 48 Ca 0.00 0.55 -0.09 0.00 -0.60 0.00 0.00 54.58 54.44 2yuy n ASN 48 Cb 0.00 2.50 -0.05 0.00 -0.53 0.00 0.00 39.78 41.70 2yuy n ASN 48 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2yuy s ARG 49 N -2.00 1.58 0.00 1.20 0.52 -1.26 -5.15 118.95 113.83 2yuy s ARG 49 Ca 0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2yuy s ARG 49 Cb 0.00 0.49 0.00 0.00 0.52 0.00 0.00 34.95 35.96 2yuy s ARG 49 CO 0.00 -0.67 0.00 0.41 0.02 0.00 0.00 175.30 175.06 2yuy n GLY 50 N -0.39 2.81 0.62 -3.53 0.00 -1.26 -5.17 105.19 98.27 2yuy n GLY 50 Ca -0.02 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2yuy n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 51 N 0.00 -2.91 3.65 -0.02 0.00 -1.26 -5.07 105.19 99.58 2yuy n GLY 51 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.49 0.14 0.57 1.61 1.02 -1.26 -5.18 119.74 113.15 2yuy s LYS 52 Ca 0.00 0.24 -0.10 0.00 0.02 0.00 0.00 55.97 56.13 2yuy s LYS 52 Cb 0.00 0.03 0.13 0.00 -0.52 0.00 0.00 37.83 37.47 2yuy s LYS 52 CO 0.00 -0.03 0.68 1.04 -0.92 0.00 0.00 175.35 176.12 2yuy n GLN 53 N 3.18 -1.14 -2.55 1.68 6.02 -1.26 -5.02 117.38 118.29 2yuy n GLN 53 Ca -0.17 -1.05 -0.12 0.00 -0.01 0.00 0.00 57.00 55.64 2yuy n GLN 53 Cb 0.57 -0.78 0.03 0.00 1.02 0.00 0.00 30.24 31.08 2yuy n GLN 53 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2yuy n ARG 54 N -2.75 2.30 -3.64 -1.09 1.85 -1.26 -4.98 116.66 107.09 2yuy n ARG 54 Ca 0.09 -3.76 -0.29 0.00 -1.00 0.00 0.00 57.85 52.88 2yuy n ARG 54 Cb 0.31 -1.78 -0.15 0.00 -1.05 0.00 0.00 32.46 29.80 2yuy n ARG 54 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2yuy s ASN 55 N -3.54 3.75 -0.18 2.89 3.84 -1.26 -5.10 114.94 115.34 2yuy s ASN 55 Ca 0.36 -1.61 -0.35 0.00 0.21 0.00 0.00 52.86 51.47 2yuy s ASN 55 Cb 0.39 -0.65 0.14 0.00 -0.55 0.00 0.00 41.25 40.58 2yuy s ASN 55 CO -0.03 -0.41 1.32 -0.13 -2.79 0.00 0.00 177.10 175.07 2yuy s ARG 56 N 1.68 0.18 0.53 0.43 1.81 -1.26 -5.19 118.95 117.14 2yuy s ARG 56 Ca 0.11 -0.08 0.01 0.00 -1.72 0.00 0.00 55.73 54.04 2yuy s ARG 56 Cb -0.18 0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.40 2yuy s ARG 56 CO -0.26 -0.08 0.04 -0.51 -0.68 0.00 0.00 175.30 173.80 2yuy s LEU 57 N -2.40 2.24 -0.27 2.53 1.02 -1.26 -5.16 118.68 115.37 2yuy s LEU 57 Ca 0.12 -1.66 -0.36 0.00 0.02 0.00 0.00 54.13 52.25 2yuy s LEU 57 Cb 0.01 -0.74 0.16 0.00 0.02 0.00 0.00 46.19 45.65 2yuy s LEU 57 CO -0.04 -0.94 1.35 -1.83 0.02 0.00 0.00 176.35 174.91 2yuy s GLU 58 N -3.94 0.08 -0.06 1.70 -1.05 -1.26 -5.08 118.70 109.09 2yuy s GLU 58 Ca 0.04 -0.02 -0.12 0.00 -0.15 0.00 0.00 54.97 54.72 2yuy s GLU 58 Cb 0.00 0.04 -0.08 0.00 -0.44 0.00 0.00 34.13 33.65 2yuy s GLU 58 CO 0.02 -0.03 0.48 -1.00 0.95 0.00 0.00 175.26 175.69 2yuy h PRO 59 N 2.02 -0.29 -2.54 -4.83 0.13 -1.97 -3.49 132.00 121.04 2yuy h PRO 59 Ca -0.04 0.02 0.11 0.00 -0.87 0.00 0.00 66.00 65.22 2yuy h PRO 59 Cb 1.15 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2yuy h PRO 59 CO 0.20 -0.08 0.40 -1.64 -0.23 0.00 0.00 178.00 176.65 2yuy s MET 60 N -2.75 1.22 -0.40 0.86 -1.94 -1.26 -5.13 119.30 109.90 2yuy s MET 60 Ca -0.07 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 2yuy s MET 60 Cb 0.00 0.46 0.17 0.00 2.01 0.00 0.00 34.83 37.47 2yuy s MET 60 CO 0.23 -0.55 0.46 0.16 -0.01 0.00 0.00 175.02 175.31 2yuy s ASP 61 N -2.79 0.35 0.13 3.03 -4.77 -1.26 -4.74 116.67 106.61 2yuy s ASP 61 Ca 0.09 -1.54 -0.04 0.00 -3.30 0.00 0.00 52.55 47.75 2yuy s ASP 61 Cb -0.02 0.92 -0.03 0.00 -1.09 0.00 0.00 42.92 42.70 2yuy s ASP 61 CO -0.02 -0.21 0.14 -0.89 0.70 0.00 0.00 175.17 174.89 2yuy s THR 62 N 1.36 0.10 -0.02 2.11 2.01 -1.26 -4.88 115.64 115.06 2yuy s THR 62 Ca 0.19 -1.66 0.08 0.00 0.31 0.00 0.00 61.69 60.61 2yuy s THR 62 Cb -0.10 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 2yuy s THR 62 CO -0.05 -0.47 -0.26 -0.63 -0.69 0.00 0.00 174.62 172.52 2yuy s ILE 63 N -3.99 2.04 -0.01 1.82 1.09 -1.26 -5.00 121.20 115.89 2yuy s ILE 63 Ca 0.18 -1.10 0.02 0.00 -1.10 0.00 0.00 60.65 58.65 2yuy s ILE 63 Cb 0.06 -1.69 -0.00 0.00 -1.06 0.00 0.00 42.46 39.76 2yuy s ILE 63 CO -0.01 0.58 -0.06 -0.36 -0.10 0.00 0.00 174.94 174.99 2yuy s PHE 64 N -0.57 0.54 0.32 3.97 0.40 -1.26 -2.27 117.98 119.10 2yuy s PHE 64 Ca 0.09 -0.10 -0.29 0.00 -0.60 0.00 0.00 56.93 56.03 2yuy s PHE 64 Cb -0.10 -0.36 -0.10 0.00 0.51 0.00 0.00 43.02 42.97 2yuy s PHE 64 CO -0.01 -0.02 1.35 0.08 0.70 0.00 0.00 175.22 177.32 2yuy s VAL 65 N -0.07 2.66 -0.20 -0.44 1.01 -0.75 -3.86 120.40 118.75 2yuy s VAL 65 Ca 0.01 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 2yuy s VAL 65 Cb -0.03 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 2yuy s VAL 65 CO -0.00 0.14 -0.10 1.17 0.00 0.00 0.00 175.10 176.30 2yuy n LYS 66 N 1.11 0.53 -4.00 2.72 0.00 0.22 -3.92 118.16 114.82 2yuy n LYS 66 Ca 0.02 0.45 -0.10 0.00 0.00 0.00 0.00 58.31 58.67 2yuy n LYS 66 Cb 0.41 -1.63 -0.04 0.00 0.00 0.00 0.00 35.03 33.76 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2yuy s GLN 67 N -2.44 1.67 -0.06 1.64 -0.21 -1.24 -4.94 119.66 114.09 2yuy s GLN 67 Ca -0.26 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 53.76 2yuy s GLN 67 Cb 0.06 0.48 0.02 0.00 1.00 0.00 0.00 33.01 34.57 2yuy s GLN 67 CO 0.43 -0.70 -0.07 0.08 -2.12 0.00 0.00 175.29 172.90 2yuy s VAL 68 N -3.69 0.80 -0.24 1.09 1.01 -1.26 -2.64 120.40 115.47 2yuy s VAL 68 Ca 0.24 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2yuy s VAL 68 Cb -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2yuy s VAL 68 CO 0.11 0.29 1.64 -0.75 0.00 0.00 0.00 175.10 176.40 2yuy s LYS 69 N 1.02 3.71 -0.80 2.72 2.47 -1.26 -4.89 119.74 122.72 2yuy s LYS 69 Ca -0.09 1.60 -0.25 0.00 -1.56 0.00 0.00 55.97 55.67 2yuy s LYS 69 Cb -0.14 -4.06 -0.08 0.00 -1.46 0.00 0.00 37.83 32.09 2yuy s LYS 69 CO -0.00 -1.39 2.14 -2.00 0.16 0.00 0.00 175.35 174.25 2yuy s GLU 70 N 4.84 2.19 0.00 4.03 2.12 -1.26 -1.15 118.70 129.48 2yuy s GLU 70 Ca 0.72 0.20 0.00 0.00 0.36 0.00 0.00 54.97 56.26 2yuy s GLU 70 Cb -0.24 -4.86 0.00 0.00 0.26 0.00 0.00 34.13 29.29 2yuy s GLU 70 CO 0.30 -3.69 0.00 0.41 -0.54 0.00 0.00 175.26 171.74 2yuy n GLY 71 N 6.66 1.92 0.00 -1.50 0.00 -1.26 -5.13 105.19 105.88 2yuy n GLY 71 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2yuy n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 72 N -0.46 4.93 0.13 -0.02 0.00 -0.30 -5.02 105.19 104.45 2yuy n GLY 72 Ca 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 2yuy n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy h PRO 73 N 0.00 -0.25 -0.71 1.61 0.13 -1.88 -3.02 132.00 127.88 2yuy h PRO 73 Ca 0.00 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.28 2yuy h PRO 73 Cb 0.00 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 31.05 2yuy h PRO 73 CO 0.00 -0.17 -0.25 0.00 -0.23 0.00 0.00 178.00 177.35 2yuy h ALA 74 N -1.30 0.29 -0.73 -0.56 0.00 -1.91 0.92 119.26 115.98 2yuy h ALA 74 Ca -0.03 0.25 0.16 0.00 0.00 0.00 0.00 54.91 55.29 2yuy h ALA 74 Cb 0.20 0.67 -0.12 0.00 0.00 0.00 0.00 17.79 18.55 2yuy h ALA 74 CO 0.04 -0.52 0.09 0.35 0.00 0.00 0.00 179.25 179.22 2yuy h PHE 75 N -0.06 0.12 0.08 0.00 3.57 -1.78 0.25 116.94 119.13 2yuy h PHE 75 Ca 0.31 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 2yuy h PHE 75 Cb 0.55 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2yuy h PHE 75 CO -0.63 -0.16 -0.04 0.93 -2.23 0.00 0.00 178.31 176.18 2yuy h GLU 76 N 0.18 -0.11 -1.11 1.11 4.39 -0.09 -2.99 114.58 115.97 2yuy h GLU 76 Ca 0.41 0.01 0.32 0.00 0.34 0.00 0.00 59.36 60.43 2yuy h GLU 76 Cb 0.71 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 2yuy h GLU 76 CO -0.57 0.39 1.03 0.00 -1.16 0.00 0.00 179.01 178.70 2yuy h ALA 77 N 0.11 2.99 0.00 3.43 0.00 0.15 -3.43 119.26 122.51 2yuy h ALA 77 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2yuy h ALA 77 Cb 0.55 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2yuy h ALA 77 CO 0.02 -1.60 0.00 0.41 0.00 0.00 0.00 179.25 178.08 2yuy n GLY 78 N -1.72 1.55 3.90 0.00 0.00 -0.18 -4.78 105.19 103.97 2yuy n GLY 78 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 2.99 0.00 0.99 2.96 0.71 -5.01 118.68 121.31 2yuy s LEU 79 Ca 0.00 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 2yuy s LEU 79 Cb 0.00 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.05 2yuy s LEU 79 CO 0.00 -1.31 0.00 0.00 -1.32 0.00 0.00 176.35 173.72 2yuy s THR 81 N -2.63 4.74 0.00 0.00 2.01 -1.26 -4.39 115.64 114.10 2yuy s THR 81 Ca 0.00 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.95 2yuy s THR 81 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2yuy s THR 81 CO 0.00 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 2yuy n GLY 82 N -0.66 3.04 3.72 4.40 0.00 -1.25 -4.98 105.19 109.46 2yuy n GLY 82 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.59 6.90 0.05 1.61 1.01 -1.26 -4.72 116.67 119.66 2yuy s ASP 83 Ca 0.00 2.29 -0.00 0.00 0.71 0.00 0.00 52.55 55.55 2yuy s ASP 83 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2yuy s ASP 83 CO 0.00 -0.57 0.20 -0.13 0.21 0.00 0.00 175.17 174.88 2yuy s ARG 84 N 0.66 3.43 0.12 8.23 0.52 -1.26 -1.81 118.95 128.85 2yuy s ARG 84 Ca 0.61 -0.42 -0.25 0.00 -0.52 0.00 0.00 55.73 55.14 2yuy s ARG 84 Cb -0.35 -3.05 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 2yuy s ARG 84 CO 0.33 0.62 0.77 0.42 0.02 0.00 0.00 175.30 177.46 2yuy s ILE 85 N -1.48 4.51 0.00 1.52 -1.09 -0.96 -3.70 121.20 120.00 2yuy s ILE 85 Ca 0.34 1.68 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 2yuy s ILE 85 Cb -0.13 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 2yuy s ILE 85 CO 0.26 0.46 0.00 2.30 -1.23 0.00 0.00 174.94 176.73 2yuy n ILE 86 N 2.07 0.00 -4.28 2.92 -5.35 0.14 -4.47 119.36 110.40 2yuy n ILE 86 Ca -0.04 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.28 2yuy n ILE 86 Cb 0.49 -0.52 -0.10 0.00 -1.74 0.00 0.00 39.64 37.77 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 -1.96 1.13 -0.24 6.28 1.02 -1.21 -3.92 119.74 120.85 2yuy s LYS 87 Ca 0.00 -1.45 -0.20 0.00 0.02 0.00 0.00 55.97 54.34 2yuy s LYS 87 Cb 0.00 -0.82 0.06 0.00 -0.52 0.00 0.00 37.83 36.55 2yuy s LYS 87 CO 0.00 0.13 0.63 0.08 -0.92 0.00 0.00 175.35 175.26 2yuy s VAL 88 N -2.99 -0.00 -1.73 3.17 1.01 -1.16 -2.55 120.40 116.16 2yuy s VAL 88 Ca 0.17 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 2yuy s VAL 88 Cb 0.00 -0.88 0.17 0.00 0.00 0.00 0.00 36.38 35.66 2yuy s VAL 88 CO 0.03 0.00 0.71 0.59 0.00 0.00 0.00 175.10 176.43 2yuy n ASN 89 N 3.16 -2.73 -3.02 3.32 5.03 -1.11 0.19 115.26 120.09 2yuy n ASN 89 Ca -0.16 -1.07 -0.21 0.00 0.87 0.00 0.00 54.58 54.01 2yuy n ASN 89 Cb 0.56 -2.48 0.01 0.00 -1.02 0.00 0.00 39.78 36.85 2yuy n ASN 89 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yuy n GLY 90 N -1.38 -0.50 3.56 7.41 0.00 -1.26 -4.96 105.19 108.06 2yuy n GLY 90 Ca 0.06 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2yuy n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuy s GLU 91 N -5.67 2.01 -0.54 1.61 -6.30 0.50 -5.09 118.70 105.21 2yuy s GLU 91 Ca 0.27 -1.59 -0.18 0.00 -2.50 0.00 0.00 54.97 50.97 2yuy s GLU 91 Cb -0.13 -1.98 0.09 0.00 0.00 0.00 0.00 34.13 32.11 2yuy s GLU 91 CO 0.33 0.35 0.62 -1.12 0.02 0.00 0.00 175.26 175.45 2yuy s SER 92 N -3.60 6.19 -0.37 -1.70 0.01 -1.26 -2.96 113.70 110.01 2yuy s SER 92 Ca 0.31 -1.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.30 2yuy s SER 92 Cb -0.06 -2.27 0.31 0.00 0.21 0.00 0.00 66.02 64.21 2yuy s SER 92 CO 0.18 -0.95 1.89 1.33 0.41 0.00 0.00 173.24 176.10 2yuy n VAL 93 N 5.50 2.81 -2.83 3.43 0.24 -1.25 -4.77 118.33 121.47 2yuy n VAL 93 Ca -0.09 -1.75 -0.43 0.00 -2.04 0.00 0.00 64.34 60.02 2yuy n VAL 93 Cb 0.43 -1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 31.66 2yuy n VAL 93 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2yuy s ILE 94 N -2.68 4.57 0.00 1.34 -1.09 -1.26 -3.82 121.20 118.26 2yuy s ILE 94 Ca 0.38 -1.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 2yuy s ILE 94 Cb 0.30 -4.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.29 2yuy s ILE 94 CO 0.01 -1.65 0.00 0.61 -1.23 0.00 0.00 174.94 172.68 2yuy n GLY 95 N 5.54 2.57 3.29 6.18 0.00 -1.26 -5.09 105.19 116.42 2yuy n GLY 95 Ca 0.30 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2yuy n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuy n LYS 96 N 0.00 0.13 -3.66 1.61 5.02 -1.25 -4.94 118.16 115.07 2yuy n LYS 96 Ca 0.00 0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 2yuy n LYS 96 Cb 0.00 -1.34 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 2yuy n LYS 96 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2yuy s THR 97 N -1.96 5.16 0.30 -0.18 -1.32 -1.26 -4.90 115.64 111.47 2yuy s THR 97 Ca 0.57 0.06 0.01 0.00 -1.21 0.00 0.00 61.69 61.12 2yuy s THR 97 Cb -0.37 -3.62 0.41 0.00 -1.51 0.00 0.00 72.50 67.40 2yuy s THR 97 CO 0.66 0.05 1.51 0.00 -2.21 0.00 0.00 174.62 174.62 2yuy n TYR 98 N 0.12 0.58 -0.25 9.09 9.36 -1.26 0.19 117.16 134.99 2yuy n TYR 98 Ca -0.03 1.16 0.04 0.00 3.32 0.00 0.00 57.90 62.40 2yuy n TYR 98 Cb 0.52 -1.21 0.18 0.00 -0.63 0.00 0.00 39.34 38.20 2yuy n TYR 98 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2yuy h SER 99 N 0.00 0.31 0.18 2.98 0.87 -1.98 0.74 113.55 116.65 2yuy h SER 99 Ca 0.57 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 61.22 2yuy h SER 99 Cb 1.15 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2yuy h SER 99 CO -0.92 0.13 -0.08 1.56 -0.53 0.00 0.00 176.83 176.99 2yuy h GLN 100 N 0.47 -0.23 -1.01 2.24 4.20 0.18 -2.37 115.11 118.59 2yuy h GLN 100 Ca 0.40 0.02 0.28 0.00 0.06 0.00 0.00 58.65 59.41 2yuy h GLN 100 Cb 0.58 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.28 2yuy h GLN 100 CO -0.38 -0.15 0.60 -0.39 -0.67 0.00 0.00 178.83 177.84 2yuy h VAL 101 N -0.25 0.43 -0.58 -0.54 -1.51 -1.14 0.60 116.25 113.26 2yuy h VAL 101 Ca -0.02 -0.16 0.12 0.00 -1.23 0.00 0.00 66.70 65.41 2yuy h VAL 101 Cb 0.18 -0.07 -0.10 0.00 -2.13 0.00 0.00 31.29 29.18 2yuy h VAL 101 CO 0.04 0.08 0.02 0.40 -1.23 0.00 0.00 177.57 176.88 2yuy h ILE 102 N 0.46 0.55 -0.27 7.19 1.08 0.67 0.57 117.51 127.75 2yuy h ILE 102 Ca 0.68 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 65.10 2yuy h ILE 102 Cb 1.45 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 2yuy h ILE 102 CO -0.51 0.03 0.16 0.00 -0.69 0.00 0.00 178.15 177.13 2yuy h ALA 103 N 1.52 0.34 -1.05 1.87 0.00 0.72 0.41 119.26 123.07 2yuy h ALA 103 Ca 0.30 -0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.45 2yuy h ALA 103 Cb 0.48 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 2yuy h ALA 103 CO -0.48 -0.15 0.65 -0.07 0.00 0.00 0.00 179.25 179.20 2yuy h LEU 104 N 0.34 0.52 -0.00 0.00 3.38 -0.24 1.09 115.31 120.39 2yuy h LEU 104 Ca 0.10 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2yuy h LEU 104 Cb 0.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2yuy h LEU 104 CO -0.02 0.04 -0.01 0.40 0.09 0.00 0.00 178.44 178.94 2yuy h ILE 105 N 0.42 1.58 -0.07 1.22 2.04 -0.23 -0.33 117.51 122.15 2yuy h ILE 105 Ca 0.65 -1.73 0.02 0.00 1.00 0.00 0.00 64.86 64.80 2yuy h ILE 105 Cb 1.53 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 40.36 2yuy h ILE 105 CO -0.41 0.45 0.11 1.56 0.00 0.00 0.00 178.15 179.87 2yuy h GLN 106 N -0.72 0.00 -0.31 2.37 4.20 0.15 0.50 115.11 121.30 2yuy h GLN 106 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2yuy h GLN 106 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2yuy h GLN 106 CO 0.00 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 2yuy n ASN 107 N -3.55 3.69 0.19 1.46 3.02 0.35 -4.52 115.26 115.90 2yuy n ASN 107 Ca -0.01 -2.69 0.13 0.00 -0.03 0.00 0.00 54.58 51.98 2yuy n ASN 107 Cb 0.20 -0.46 0.68 0.00 -0.61 0.00 0.00 39.78 39.59 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 2.02 0.00 0.00 6.41 4.64 0.18 -3.48 113.55 123.33 2yuy h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yuy h SER 108 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2yuy h SER 108 CO 0.17 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.46 2yuy n ASP 109 N -2.42 -0.53 -0.10 4.97 2.03 -1.26 -4.00 116.55 115.24 2yuy n ASP 109 Ca -0.01 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.18 2yuy n ASP 109 Cb 0.08 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.39 2yuy n ASP 109 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2yuy h THR 110 N 0.00 0.00 -1.72 5.18 2.02 -1.97 -3.42 112.91 113.00 2yuy h THR 110 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.72 2yuy h THR 110 Cb 0.00 0.00 0.05 0.00 -1.74 0.00 0.00 68.15 66.46 2yuy h THR 110 CO 0.00 0.00 -0.02 0.42 0.37 0.00 0.00 175.52 176.29 2yuy s THR 111 N -5.32 2.31 -0.27 3.16 -4.23 -1.26 0.64 115.64 110.67 2yuy s THR 111 Ca -0.13 -0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2yuy s THR 111 Cb 0.07 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.53 2yuy s THR 111 CO 0.53 0.00 0.47 -0.22 -0.54 0.00 0.00 174.62 174.87 2yuy s LEU 112 N -4.86 -0.96 -0.01 4.79 1.98 0.13 -4.61 118.68 115.14 2yuy s LEU 112 Ca 0.62 0.48 -0.16 0.00 -2.89 0.00 0.00 54.13 52.19 2yuy s LEU 112 Cb -0.07 1.56 -0.06 0.00 0.66 0.00 0.00 46.19 48.29 2yuy s LEU 112 CO 0.41 -0.28 0.43 -0.70 -1.89 0.00 0.00 176.35 174.31 2yuy s GLU 113 N 2.68 4.00 0.43 1.98 2.12 -1.26 0.55 118.70 129.20 2yuy s GLU 113 Ca 0.16 0.44 0.03 0.00 0.36 0.00 0.00 54.97 55.97 2yuy s GLU 113 Cb -0.15 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 2yuy s GLU 113 CO -0.18 0.63 0.09 -0.51 -0.54 0.00 0.00 175.26 174.74 2yuy s LEU 114 N -0.89 2.11 -0.28 2.70 1.43 0.28 -2.74 118.68 121.30 2yuy s LEU 114 Ca 0.24 -1.64 -0.19 0.00 -1.03 0.00 0.00 54.13 51.52 2yuy s LEU 114 Cb -0.17 -0.32 0.08 0.00 0.03 0.00 0.00 46.19 45.81 2yuy s LEU 114 CO 0.13 -0.87 0.70 -0.44 0.23 0.00 0.00 176.35 176.10 2yuy s SER 115 N -3.67 -0.89 0.22 2.29 0.01 -1.06 -1.49 113.70 109.12 2yuy s SER 115 Ca 0.20 1.49 0.03 0.00 1.31 0.00 0.00 55.95 58.99 2yuy s SER 115 Cb 0.03 1.41 -0.01 0.00 0.21 0.00 0.00 66.02 67.66 2yuy s SER 115 CO 0.12 -0.24 0.12 1.33 0.41 0.00 0.00 173.24 174.97 2yuy n VAL 116 N 3.85 0.00 -3.78 3.43 0.24 -0.73 0.27 118.33 121.61 2yuy n VAL 116 Ca -0.18 -1.42 -0.29 0.00 -2.04 0.00 0.00 64.34 60.41 2yuy n VAL 116 Cb 0.58 0.59 -0.13 0.00 -1.47 0.00 0.00 33.84 33.41 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 -2.88 1.72 0.78 7.34 -1.94 -1.24 -1.71 119.30 121.37 2yuy s MET 117 Ca 0.16 -2.53 -0.11 0.00 -1.71 0.00 0.00 55.69 51.51 2yuy s MET 117 Cb 0.01 -2.76 0.06 0.00 2.01 0.00 0.00 34.83 34.15 2yuy s MET 117 CO 0.12 -1.21 1.09 -1.25 -0.01 0.00 0.00 175.02 173.76 2yuy s PRO 118 N -0.32 2.20 0.33 2.03 0.04 -1.26 -4.86 135.00 133.15 2yuy s PRO 118 Ca 0.21 0.67 0.09 0.00 0.04 0.00 0.00 61.00 62.01 2yuy s PRO 118 Cb -0.16 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2yuy s PRO 118 CO -0.07 -1.55 -0.02 0.15 0.04 0.00 0.00 177.00 175.55 2yuy s LYS 119 N -5.15 2.02 0.34 4.56 1.02 -1.26 -5.00 119.74 116.27 2yuy s LYS 119 Ca 0.60 -1.75 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 2yuy s LYS 119 Cb -0.14 -1.90 -0.11 0.00 -0.52 0.00 0.00 37.83 35.16 2yuy s LYS 119 CO 0.54 0.17 1.56 -0.51 -0.92 0.00 0.00 175.35 176.19 2yuy s ASP 120 N -3.68 6.33 0.25 2.83 1.01 -1.26 -4.55 116.67 117.60 2yuy s ASP 120 Ca 0.34 3.02 0.00 0.00 0.71 0.00 0.00 52.55 56.62 2yuy s ASP 120 Cb -0.01 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2yuy s ASP 120 CO 0.19 -0.92 0.00 -1.20 0.21 0.00 0.00 175.17 173.45 2yuy n SER 121 N 1.35 -7.08 -3.63 0.27 7.64 -1.26 -5.10 113.62 105.80 2yuy n SER 121 Ca 0.05 0.93 -0.03 0.00 1.01 0.00 0.00 58.87 60.82 2yuy n SER 121 Cb 0.38 -3.21 -0.03 0.00 -1.01 0.00 0.00 64.21 60.34 2yuy n SER 121 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yuy s GLY 122 N -1.55 -0.06 0.22 0.23 0.00 -1.26 -5.15 107.32 99.75 2yuy s GLY 122 Ca 0.00 2.37 -0.30 0.00 0.00 0.00 0.00 44.72 46.80 2yuy s GLY 122 CO 0.00 0.90 1.10 2.56 0.00 0.00 0.00 173.10 177.66 2yuy s PRO 123 N -1.49 4.62 0.25 2.90 0.04 -1.26 -4.89 135.00 135.16 2yuy s PRO 123 Ca 0.09 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2yuy s PRO 123 Cb -0.01 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2yuy s PRO 123 CO -0.05 0.14 0.00 0.43 0.04 0.00 0.00 177.00 177.55 2yuy n SER 124 N 1.86 -0.21 0.02 6.66 7.64 -1.26 -5.04 113.62 123.29 2yuy n SER 124 Ca 0.01 0.42 -0.02 0.00 1.01 0.00 0.00 58.87 60.30 2yuy n SER 124 Cb 0.45 0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 64.05 2yuy n SER 124 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuy n SER 125 N -3.32 1.07 0.00 6.43 7.64 -1.26 -5.19 113.62 119.00 2yuy n SER 125 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2yuy n SER 125 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2yuy n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64