#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d99 s SER 2 N 0.00 1.88 -0.04 1.61 0.15 -1.26 -4.78 113.70 111.26 2d99 s SER 2 Ca 0.00 -0.66 -0.03 0.00 0.70 0.00 0.00 55.95 55.97 2d99 s SER 2 Cb 0.00 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2d99 s SER 2 CO 0.00 -0.38 -0.05 -0.24 1.20 0.00 0.00 173.24 173.77 2d99 n SER 3 N 5.30 0.47 0.00 5.45 2.88 -1.26 -5.05 113.62 121.41 2d99 n SER 3 Ca -0.04 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2d99 n SER 3 Cb 0.47 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2d99 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d99 n GLY 4 N 1.67 -1.17 2.61 0.46 0.00 -1.26 -5.07 105.19 102.44 2d99 n GLY 4 Ca -0.02 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 2d99 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d99 n SER 5 N 0.00 -3.10 -2.92 1.61 7.64 -1.26 -5.05 113.62 110.54 2d99 n SER 5 Ca 0.00 1.37 0.03 0.00 1.01 0.00 0.00 58.87 61.28 2d99 n SER 5 Cb 0.00 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 58.72 2d99 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d99 s SER 6 N -0.51 -0.38 0.00 6.43 0.01 -1.26 -5.10 113.70 112.90 2d99 s SER 6 Ca -0.18 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2d99 s SER 6 Cb 0.01 0.76 0.00 0.00 0.21 0.00 0.00 66.02 67.00 2d99 s SER 6 CO 0.49 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2d99 n GLY 7 N 4.23 2.88 0.39 3.44 0.00 -1.26 -4.55 105.19 110.32 2d99 n GLY 7 Ca 0.07 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 2d99 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d99 h LEU 8 N 0.00 -1.04 -1.38 0.99 3.38 -1.98 1.84 115.31 117.12 2d99 h LEU 8 Ca 0.00 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2d99 h LEU 8 Cb 0.00 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2d99 h LEU 8 CO 0.00 -0.50 -0.11 -0.09 0.09 0.00 0.00 178.44 177.82 2d99 h ARG 9 N -0.72 0.27 0.00 1.13 2.43 -1.92 -1.24 114.38 114.33 2d99 h ARG 9 Ca -0.01 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 2d99 h ARG 9 Cb 0.68 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2d99 h ARG 9 CO -0.11 0.40 -0.57 -0.22 -1.51 0.00 0.00 179.97 177.95 2d99 h LYS 10 N 0.26 0.00 0.22 0.20 1.63 -1.54 -0.08 116.57 117.25 2d99 h LYS 10 Ca 0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2d99 h LYS 10 Cb 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2d99 h LYS 10 CO 0.02 0.57 -0.10 0.52 -3.45 0.00 0.00 179.45 177.01 2d99 h MET 11 N 0.00 -0.28 -0.46 1.90 2.86 0.40 -3.22 114.93 116.13 2d99 h MET 11 Ca -0.01 0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2d99 h MET 11 Cb 1.08 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2d99 h MET 11 CO 0.07 0.09 -0.06 -0.24 1.06 0.00 0.00 176.91 177.83 2d99 h VAL 12 N -0.75 1.25 -0.91 -2.22 3.04 -1.39 -2.86 116.25 112.40 2d99 h VAL 12 Ca -0.03 -1.11 0.29 0.00 -1.01 0.00 0.00 66.70 64.84 2d99 h VAL 12 Cb 0.50 0.97 -0.17 0.00 -2.01 0.00 0.00 31.29 30.58 2d99 h VAL 12 CO 0.05 0.38 0.15 -0.62 -1.01 0.00 0.00 177.57 176.52 2d99 n GLU 13 N -4.18 -0.07 0.12 4.17 -0.58 -0.05 0.16 120.64 120.21 2d99 n GLU 13 Ca 0.02 1.34 -0.24 0.00 -0.42 0.00 0.00 57.16 57.86 2d99 n GLU 13 Cb 0.34 -2.20 -0.15 0.00 -0.57 0.00 0.00 31.44 28.86 2d99 n GLU 13 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2d99 h GLU 14 N 0.00 0.57 -0.82 3.49 4.11 -1.56 -2.89 114.58 117.48 2d99 h GLU 14 Ca 0.62 -0.88 0.24 0.00 0.07 0.00 0.00 59.36 59.40 2d99 h GLU 14 Cb 1.40 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 30.93 2d99 h GLU 14 CO -0.82 1.41 0.85 0.28 0.07 0.00 0.00 179.01 180.81 2d99 h VAL 15 N 0.20 0.20 0.00 -1.06 2.07 0.17 2.22 116.25 120.04 2d99 h VAL 15 Ca -0.23 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 2d99 h VAL 15 Cb 2.06 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2d99 h VAL 15 CO 0.26 0.00 -1.91 0.49 0.02 0.00 0.00 177.57 176.43 2d99 n PHE 16 N -3.56 0.32 0.90 1.57 3.72 -0.40 -3.25 117.46 116.75 2d99 n PHE 16 Ca 0.17 0.10 0.12 0.00 -0.05 0.00 0.00 57.45 57.80 2d99 n PHE 16 Cb 1.13 -0.84 0.29 0.00 -0.94 0.00 0.00 39.48 39.12 2d99 n PHE 16 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2d99 n ASP 17 N -2.60 0.47 0.00 4.37 5.75 0.60 -3.37 116.55 121.77 2d99 n ASP 17 Ca -0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 2d99 n ASP 17 Cb 0.83 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 2d99 n ASP 17 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2d99 n VAL 18 N -1.65 0.00 -0.30 2.12 0.31 0.61 -3.53 118.33 115.88 2d99 n VAL 18 Ca 0.05 0.28 0.27 0.00 -0.01 0.00 0.00 64.34 64.93 2d99 n VAL 18 Cb 0.36 -1.16 0.50 0.00 -0.91 0.00 0.00 33.84 32.63 2d99 n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2d99 n LEU 19 N -1.86 0.25 0.38 7.52 4.77 -1.20 0.10 117.00 126.96 2d99 n LEU 19 Ca 0.00 1.56 -0.15 0.00 -0.03 0.00 0.00 56.01 57.39 2d99 n LEU 19 Cb 0.00 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 2d99 n LEU 19 CO 0.00 -1.72 0.53 0.22 -1.33 0.00 0.00 177.39 175.09 2d99 h TYR 20 N 0.00 -0.95 -0.95 -1.77 3.20 -1.77 0.13 116.97 114.87 2d99 h TYR 20 Ca 0.75 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.80 2d99 h TYR 20 Cb 1.93 0.32 -0.08 0.00 1.54 0.00 0.00 36.73 40.44 2d99 h TYR 20 CO -0.09 -0.58 0.61 1.03 -1.64 0.00 0.00 178.16 177.49 2d99 h SER 21 N -0.99 0.54 0.26 -2.11 0.87 -0.38 0.58 113.55 112.32 2d99 h SER 21 Ca -0.10 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2d99 h SER 21 Cb 0.76 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2d99 h SER 21 CO 0.15 0.21 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.20 2d99 h GLU 22 N 0.54 -0.33 0.00 2.24 4.39 -0.24 0.25 114.58 121.43 2d99 h GLU 22 Ca 0.51 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.19 2d99 h GLU 22 Cb 1.09 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2d99 h GLU 22 CO -0.25 -0.11 -0.19 0.00 -1.16 0.00 0.00 179.01 177.30 2d99 h ALA 23 N 0.20 1.67 0.00 3.43 0.00 0.87 0.19 119.26 125.62 2d99 h ALA 23 Ca -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2d99 h ALA 23 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2d99 h ALA 23 CO 0.06 0.24 -0.08 -0.07 0.00 0.00 0.00 179.25 179.40 2d99 h LEU 24 N 0.00 0.00 -1.18 0.00 3.38 0.52 -3.42 115.31 114.61 2d99 h LEU 24 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2d99 h LEU 24 Cb 0.35 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.20 2d99 h LEU 24 CO 0.03 0.08 -0.47 0.61 0.09 0.00 0.00 178.44 178.78 2d99 n GLY 25 N 0.61 -0.06 4.01 0.83 0.00 0.80 -5.00 105.19 106.37 2d99 n GLY 25 Ca 0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2d99 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d99 s ARG 26 N -5.56 2.34 -0.21 1.61 1.81 -0.60 -5.05 118.95 113.30 2d99 s ARG 26 Ca 0.27 -1.25 -0.21 0.00 -1.72 0.00 0.00 55.73 52.82 2d99 s ARG 26 Cb -0.12 -2.57 -0.19 0.00 -0.45 0.00 0.00 34.95 31.62 2d99 s ARG 26 CO 0.49 -0.82 0.19 0.00 -0.68 0.00 0.00 175.30 174.48 2d99 n ALA 27 N -2.30 0.81 -2.00 2.13 0.00 -1.26 -4.87 120.51 113.02 2d99 n ALA 27 Ca 0.12 -0.52 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 2d99 n ALA 27 Cb 0.60 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.58 2d99 n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2d99 s SER 28 N -6.89 5.03 -0.24 0.00 0.01 -1.26 -5.07 113.70 105.27 2d99 s SER 28 Ca -0.29 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.38 2d99 s SER 28 Cb 0.06 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2d99 s SER 28 CO 0.59 -1.34 0.39 -0.69 0.41 0.00 0.00 173.24 172.61 2d99 s VAL 29 N -2.76 5.18 0.19 3.43 1.01 -1.26 -4.89 120.40 121.30 2d99 s VAL 29 Ca 0.61 0.65 0.06 0.00 0.00 0.00 0.00 61.98 63.30 2d99 s VAL 29 Cb -0.07 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2d99 s VAL 29 CO 0.39 0.19 0.17 0.68 0.00 0.00 0.00 175.10 176.53 2d99 s VAL 30 N 1.74 4.52 0.85 2.92 -7.23 -1.25 -4.90 120.40 117.06 2d99 s VAL 30 Ca 0.17 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.05 2d99 s VAL 30 Cb -0.15 -3.36 0.10 0.00 0.56 0.00 0.00 36.38 33.53 2d99 s VAL 30 CO 0.09 -0.19 1.12 -2.16 -0.31 0.00 0.00 175.10 173.64 2d99 s PRO 31 N -3.36 1.63 -0.42 4.82 0.04 -1.26 -4.52 135.00 131.93 2d99 s PRO 31 Ca 0.32 0.46 -0.06 0.00 0.04 0.00 0.00 61.00 61.76 2d99 s PRO 31 Cb -0.09 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2d99 s PRO 31 CO 0.24 -1.89 0.24 -1.17 0.04 0.00 0.00 177.00 174.45 2d99 s LEU 32 N -5.90 5.23 -1.19 -3.56 2.96 -1.26 -4.96 118.68 110.01 2d99 s LEU 32 Ca 0.62 -1.82 -0.20 0.00 -0.22 0.00 0.00 54.13 52.51 2d99 s LEU 32 Cb -0.14 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2d99 s LEU 32 CO 0.54 -0.56 1.92 -0.81 -1.32 0.00 0.00 176.35 176.12 2d99 n PRO 33 N 4.75 2.32 -0.10 0.98 -0.04 -1.26 -4.77 135.00 136.88 2d99 n PRO 33 Ca -0.06 -2.65 -0.06 0.00 -0.04 0.00 0.00 63.50 60.69 2d99 n PRO 33 Cb 0.42 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 2d99 n PRO 33 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2d99 h TYR 34 N 8.05 -0.56 -1.76 0.54 0.05 -1.96 0.32 116.97 121.65 2d99 h TYR 34 Ca 0.39 0.04 0.51 0.00 0.05 0.00 0.00 58.73 59.73 2d99 h TYR 34 Cb 0.82 0.30 -0.08 0.00 1.01 0.00 0.00 36.73 38.78 2d99 h TYR 34 CO 1.33 -0.29 1.26 1.05 -1.05 0.00 0.00 178.16 180.45 2d99 h GLU 35 N -0.16 0.01 0.00 4.88 4.11 -1.98 1.64 114.58 123.07 2d99 h GLU 35 Ca 0.18 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2d99 h GLU 35 Cb 0.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2d99 h GLU 35 CO -0.46 0.00 -0.14 0.54 0.07 0.00 0.00 179.01 179.02 2d99 n ARG 36 N -4.04 0.10 -0.42 1.06 1.74 0.82 -3.54 116.66 112.37 2d99 n ARG 36 Ca 0.40 0.23 0.34 0.00 -0.77 0.00 0.00 57.85 58.05 2d99 n ARG 36 Cb 1.81 -0.87 0.63 0.00 -1.02 0.00 0.00 32.46 33.00 2d99 n ARG 36 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2d99 h LEU 37 N -0.22 0.27 -0.23 0.55 3.38 -0.05 1.52 115.31 120.54 2d99 h LEU 37 Ca 0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2d99 h LEU 37 Cb 0.14 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2d99 h LEU 37 CO 0.00 -0.14 0.07 -0.07 0.09 0.00 0.00 178.44 178.39 2d99 h LEU 38 N 0.13 0.33 -0.60 1.67 3.38 0.22 -2.83 115.31 117.62 2d99 h LEU 38 Ca 0.78 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.65 2d99 h LEU 38 Cb 2.39 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.98 2d99 h LEU 38 CO -0.40 0.45 0.19 -0.09 0.09 0.00 0.00 178.44 178.68 2d99 h ARG 39 N 0.20 0.34 -4.76 1.13 2.43 0.21 -3.35 114.38 110.58 2d99 h ARG 39 Ca 0.07 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.55 2d99 h ARG 39 Cb 0.23 -0.08 -0.38 0.00 -0.42 0.00 0.00 29.97 29.33 2d99 h ARG 39 CO -0.00 0.22 -0.74 -1.83 -1.51 0.00 0.00 179.97 176.11 2d99 s GLU 40 N -6.10 1.95 0.32 0.20 -1.05 -0.69 -4.95 118.70 108.39 2d99 s GLU 40 Ca -0.13 -1.58 0.16 0.00 -0.15 0.00 0.00 54.97 53.28 2d99 s GLU 40 Cb 0.17 -3.09 0.42 0.00 -0.44 0.00 0.00 34.13 31.19 2d99 s GLU 40 CO 0.74 -0.75 1.61 -1.00 0.95 0.00 0.00 175.26 176.81 2d99 h PRO 41 N 7.75 0.00 -0.00 -4.83 0.13 -1.69 -3.05 132.00 130.31 2d99 h PRO 41 Ca -0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 2d99 h PRO 41 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2d99 h PRO 41 CO 0.51 0.47 -0.44 0.78 -0.23 0.00 0.00 178.00 179.09 2d99 h GLY 42 N 2.52 0.00 1.00 1.56 0.00 -1.92 -2.71 103.07 103.52 2d99 h GLY 42 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2d99 h GLY 42 CO 0.06 0.00 0.28 -2.00 0.00 0.00 0.00 176.54 174.88 2d99 h LEU 43 N 0.00 0.87 -6.23 3.11 5.85 -1.86 -3.31 115.31 113.75 2d99 h LEU 43 Ca -0.00 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.60 2d99 h LEU 43 Cb 0.78 -0.23 -0.23 0.00 0.37 0.00 0.00 40.66 41.36 2d99 h LEU 43 CO 0.06 0.79 -0.29 -0.22 -0.34 0.00 0.00 178.44 178.43 2d99 s LEU 44 N -9.79 -1.22 -0.17 2.25 2.96 -1.07 -1.51 118.68 110.14 2d99 s LEU 44 Ca -0.13 0.86 -0.08 0.00 -0.22 0.00 0.00 54.13 54.56 2d99 s LEU 44 Cb 0.13 1.99 -0.04 0.00 0.50 0.00 0.00 46.19 48.77 2d99 s LEU 44 CO 0.80 -0.26 0.10 0.00 -1.32 0.00 0.00 176.35 175.67 2d99 s ALA 45 N 2.81 3.59 -0.37 5.97 0.00 -0.10 -4.69 121.76 128.97 2d99 s ALA 45 Ca 0.16 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 2d99 s ALA 45 Cb -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 20.97 2d99 s ALA 45 CO -0.20 0.27 0.43 0.08 0.00 0.00 0.00 175.76 176.34 2d99 s VAL 46 N 0.07 5.10 0.32 0.00 1.01 -1.26 -1.35 120.40 124.29 2d99 s VAL 46 Ca 0.07 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.14 2d99 s VAL 46 Cb -0.12 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2d99 s VAL 46 CO -0.00 -0.24 0.08 -1.10 0.00 0.00 0.00 175.10 173.84 2d99 s GLN 47 N 2.17 2.27 -0.94 2.72 -1.52 0.13 -4.65 119.66 119.84 2d99 s GLN 47 Ca 0.14 -1.58 -0.01 0.00 -1.95 0.00 0.00 55.36 51.96 2d99 s GLN 47 Cb -0.16 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.53 2d99 s GLN 47 CO 0.13 0.17 0.16 0.41 -0.25 0.00 0.00 175.29 175.91 2d99 n GLY 48 N -1.04 -0.06 3.82 3.09 0.00 -1.26 0.96 105.19 110.69 2d99 n GLY 48 Ca -0.04 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2d99 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d99 s LEU 49 N -3.65 2.55 -0.60 0.99 1.43 -1.26 0.07 118.68 118.21 2d99 s LEU 49 Ca 0.08 1.20 -0.27 0.00 -1.03 0.00 0.00 54.13 54.11 2d99 s LEU 49 Cb -0.04 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.39 2d99 s LEU 49 CO 0.10 -1.96 1.53 -2.16 0.23 0.00 0.00 176.35 174.09 2d99 s PRO 50 N -5.23 3.10 0.26 1.29 0.04 -1.26 -4.89 135.00 128.32 2d99 s PRO 50 Ca 0.61 0.40 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 2d99 s PRO 50 Cb -0.14 -4.21 -0.10 0.00 0.04 0.00 0.00 34.50 30.09 2d99 s PRO 50 CO 0.53 -2.19 0.05 -0.85 0.04 0.00 0.00 177.00 174.59 2d99 n GLU 51 N 8.94 0.00 -2.85 4.56 -0.00 -1.26 -2.89 120.64 127.13 2d99 n GLU 51 Ca 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.21 2d99 n GLU 51 Cb 0.50 -0.65 0.03 0.00 -0.00 0.00 0.00 31.44 31.32 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2d99 n GLY 52 N 1.52 0.38 0.02 -1.84 0.00 -1.26 -5.02 105.19 98.98 2d99 n GLY 52 Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 2d99 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d99 n LEU 53 N -2.15 0.00 -3.68 0.99 4.77 -1.14 -5.10 117.00 110.70 2d99 n LEU 53 Ca -0.01 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 2d99 n LEU 53 Cb 0.53 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2d99 n LEU 53 CO 0.23 -0.00 0.23 0.00 -1.33 0.00 0.00 177.39 176.52 2d99 s ALA 54 N -1.29 -1.40 -0.26 -1.18 0.00 -1.26 -5.03 121.76 111.34 2d99 s ALA 54 Ca 0.00 1.71 -0.29 0.00 0.00 0.00 0.00 51.96 53.37 2d99 s ALA 54 Cb -0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 2d99 s ALA 54 CO 0.00 -0.28 2.23 0.34 0.00 0.00 0.00 175.76 178.05 2d99 n PHE 55 N 3.30 1.86 -3.63 0.00 7.35 -1.26 -4.88 117.46 120.19 2d99 n PHE 55 Ca -0.16 -0.03 -0.07 0.00 -0.76 0.00 0.00 57.45 56.42 2d99 n PHE 55 Cb 0.56 -2.68 -0.02 0.00 0.35 0.00 0.00 39.48 37.69 2d99 n PHE 55 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2d99 s ARG 56 N 6.43 1.23 0.40 -4.13 1.70 -1.26 -5.05 118.95 118.26 2d99 s ARG 56 Ca 1.03 -0.58 -0.19 0.00 -0.47 0.00 0.00 55.73 55.51 2d99 s ARG 56 Cb -0.44 0.48 -0.15 0.00 -0.57 0.00 0.00 34.95 34.27 2d99 s ARG 56 CO 0.38 -0.55 0.04 0.54 -1.08 0.00 0.00 175.30 174.63 2d99 n ARG 57 N -0.39 0.00 0.23 3.89 1.74 -1.26 -4.80 116.66 116.08 2d99 n ARG 57 Ca -0.09 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.14 2d99 n ARG 57 Cb 0.62 -0.94 0.44 0.00 -1.02 0.00 0.00 32.46 31.56 2d99 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2d99 h PRO 58 N 0.24 0.00 0.00 5.56 0.13 -1.96 -2.47 132.00 133.51 2d99 h PRO 58 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2d99 h PRO 58 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2d99 h PRO 58 CO 0.43 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 177.94 2d99 n ALA 59 N -2.05 2.93 0.78 -0.56 0.00 -1.26 -3.20 120.51 117.15 2d99 n ALA 59 Ca 0.02 -0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.35 2d99 n ALA 59 Cb 0.40 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 2d99 n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2d99 n GLU 60 N -1.55 0.14 -1.74 0.00 1.02 -0.94 -4.96 120.64 112.61 2d99 n GLU 60 Ca 0.06 -0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 2d99 n GLU 60 Cb 0.34 -1.51 0.10 0.00 -0.02 0.00 0.00 31.44 30.36 2d99 n GLU 60 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2d99 s TYR 61 N -3.11 2.81 0.74 -0.32 2.02 -1.12 -5.01 117.35 113.36 2d99 s TYR 61 Ca 0.05 0.84 -0.09 0.00 -0.37 0.00 0.00 57.07 57.50 2d99 s TYR 61 Cb 0.16 -3.39 0.16 0.00 -0.40 0.00 0.00 41.96 38.49 2d99 s TYR 61 CO 0.86 -1.94 1.01 -0.25 -1.57 0.00 0.00 175.55 173.66 2d99 n ASP 62 N -3.47 0.42 0.06 2.29 8.00 -1.26 -4.94 116.55 117.65 2d99 n ASP 62 Ca 0.07 -1.57 -0.08 0.00 0.71 0.00 0.00 54.79 53.92 2d99 n ASP 62 Cb 0.60 -0.74 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 2d99 n ASP 62 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2d99 h PRO 63 N 0.00 -0.23 0.00 -0.24 0.13 -1.98 -2.97 132.00 126.72 2d99 h PRO 63 Ca -0.33 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 2d99 h PRO 63 Cb 0.99 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2d99 h PRO 63 CO 0.27 0.07 -0.11 0.87 -0.23 0.00 0.00 178.00 178.87 2d99 h LYS 64 N -0.99 0.00 0.65 0.86 6.56 -1.99 -2.86 116.57 118.80 2d99 h LYS 64 Ca -0.02 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2d99 h LYS 64 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 2d99 h LYS 64 CO 0.04 0.11 -0.36 0.00 -2.06 0.00 0.00 179.45 177.17 2d99 h ALA 65 N 1.89 -1.21 -0.79 3.86 0.00 -1.95 0.45 119.26 121.52 2d99 h ALA 65 Ca -0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2d99 h ALA 65 Cb 0.23 0.44 -0.15 0.00 0.00 0.00 0.00 17.79 18.31 2d99 h ALA 65 CO 0.01 -1.17 -0.23 -0.07 0.00 0.00 0.00 179.25 177.80 2d99 h LEU 66 N -0.93 -0.85 -1.41 0.00 3.38 -1.33 1.41 115.31 115.58 2d99 h LEU 66 Ca -0.09 0.24 0.10 0.00 0.09 0.00 0.00 57.88 58.22 2d99 h LEU 66 Cb 0.73 0.53 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 2d99 h LEU 66 CO 0.11 -0.27 0.50 0.24 0.09 0.00 0.00 178.44 179.11 2d99 h MET 67 N -0.02 0.64 0.00 1.13 2.86 -1.35 0.49 114.93 118.68 2d99 h MET 67 Ca 0.36 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.78 2d99 h MET 67 Cb 0.58 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2d99 h MET 67 CO -0.82 0.42 -0.85 0.00 1.06 0.00 0.00 176.91 176.73 2d99 h ALA 68 N 1.62 0.60 -0.15 6.32 0.00 0.37 -2.02 119.26 126.00 2d99 h ALA 68 Ca 0.35 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2d99 h ALA 68 Cb 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2d99 h ALA 68 CO -0.13 1.05 -0.25 0.82 0.00 0.00 0.00 179.25 180.74 2d99 h ILE 69 N 0.00 1.36 0.00 0.00 2.04 0.34 1.86 117.51 123.12 2d99 h ILE 69 Ca -0.01 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 2d99 h ILE 69 Cb 1.50 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.54 2d99 h ILE 69 CO 0.11 0.44 -0.10 -0.07 0.00 0.00 0.00 178.15 178.53 2d99 h LEU 70 N 0.05 0.00 0.07 1.44 3.38 -0.19 1.17 115.31 121.23 2d99 h LEU 70 Ca 0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.63 2d99 h LEU 70 Cb 0.83 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2d99 h LEU 70 CO 0.06 0.10 -2.02 1.21 0.09 0.00 0.00 178.44 177.88 2d99 n GLU 71 N -3.32 0.71 0.02 1.13 2.13 -0.76 -4.01 120.64 116.54 2d99 n GLU 71 Ca -0.00 0.24 0.13 0.00 0.66 0.00 0.00 57.16 58.18 2d99 n GLU 71 Cb 0.31 -1.69 0.41 0.00 0.27 0.00 0.00 31.44 30.74 2d99 n GLU 71 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2d99 n HIS 72 N -3.31 0.16 -0.46 4.31 8.25 0.63 -3.84 115.22 120.98 2d99 n HIS 72 Ca -0.30 0.05 0.39 0.00 -0.26 0.00 0.00 57.72 57.60 2d99 n HIS 72 Cb 1.05 -0.48 0.72 0.00 1.12 0.00 0.00 29.99 32.40 2d99 n HIS 72 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2d99 h SER 73 N 0.00 0.11 -0.10 0.41 4.64 0.13 1.86 113.55 120.60 2d99 h SER 73 Ca 0.00 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.39 2d99 h SER 73 Cb 0.55 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2d99 h SER 73 CO 0.00 -0.03 0.36 1.12 -0.87 0.00 0.00 176.83 177.41 2d99 h HIS 74 N 0.07 0.00 0.00 4.77 2.07 -1.83 -0.78 115.15 119.44 2d99 h HIS 74 Ca 0.73 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.93 2d99 h HIS 74 Cb 2.66 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 32.58 2d99 h HIS 74 CO -0.00 0.00 -2.20 0.54 -3.07 0.00 0.00 177.93 173.19 2d99 n ARG 75 N -3.09 0.55 -1.57 5.12 1.74 0.63 -4.98 116.66 115.06 2d99 n ARG 75 Ca 0.00 0.12 -0.61 0.00 -0.77 0.00 0.00 57.85 56.59 2d99 n ARG 75 Cb 0.44 -1.42 -0.09 0.00 -1.02 0.00 0.00 32.46 30.37 2d99 n ARG 75 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2d99 n ILE 76 N -3.11 0.00 -3.73 0.55 5.41 0.11 -4.31 119.36 114.28 2d99 n ILE 76 Ca -0.37 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.24 2d99 n ILE 76 Cb 0.90 -0.25 -0.14 0.00 -0.71 0.00 0.00 39.64 39.44 2d99 n ILE 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2d99 s ARG 77 N 1.50 0.12 0.17 0.38 1.81 0.27 -4.94 118.95 118.26 2d99 s ARG 77 Ca 0.95 0.45 -0.17 0.00 -1.72 0.00 0.00 55.73 55.24 2d99 s ARG 77 Cb -1.34 -0.17 -0.07 0.00 -0.45 0.00 0.00 34.95 32.92 2d99 s ARG 77 CO 0.67 -0.19 0.63 -0.06 -0.68 0.00 0.00 175.30 175.68 2d99 s PHE 78 N 1.37 3.64 -0.13 -0.53 0.40 -1.26 -0.69 117.98 120.77 2d99 s PHE 78 Ca -0.08 1.23 -0.01 0.00 -0.60 0.00 0.00 56.93 57.47 2d99 s PHE 78 Cb -0.11 -2.49 0.04 0.00 0.51 0.00 0.00 43.02 40.96 2d99 s PHE 78 CO -0.07 0.40 -0.03 0.15 0.70 0.00 0.00 175.22 176.37 2d99 s LYS 79 N -1.89 1.11 0.16 0.44 -0.14 -0.46 -4.94 119.74 114.02 2d99 s LYS 79 Ca 0.39 -0.28 -0.12 0.00 -1.36 0.00 0.00 55.97 54.60 2d99 s LYS 79 Cb -0.16 -1.66 -0.07 0.00 -1.68 0.00 0.00 37.83 34.26 2d99 s LYS 79 CO 0.20 -0.40 0.53 -0.51 -0.76 0.00 0.00 175.35 174.41 2d99 s LEU 80 N 1.77 4.28 0.34 3.17 1.43 -1.26 -0.92 118.68 127.50 2d99 s LEU 80 Ca 0.02 0.98 -0.25 0.00 -1.03 0.00 0.00 54.13 53.85 2d99 s LEU 80 Cb -0.14 -3.36 -0.13 0.00 0.03 0.00 0.00 46.19 42.58 2d99 s LEU 80 CO -0.07 0.06 0.76 2.29 0.23 0.00 0.00 176.35 179.61 2d99 n LYS 81 N 0.51 0.85 -1.30 1.70 2.85 -0.57 -4.60 118.16 117.61 2d99 n LYS 81 Ca -0.04 0.30 0.16 0.00 -1.05 0.00 0.00 58.31 57.69 2d99 n LYS 81 Cb 0.52 -1.62 -0.08 0.00 -0.65 0.00 0.00 35.03 33.21 2d99 n LYS 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2d99 n ARG 82 N 0.64 -2.93 -2.42 -1.58 1.74 -1.26 -4.71 116.66 106.14 2d99 n ARG 82 Ca 0.11 2.32 -0.43 0.00 -0.77 0.00 0.00 57.85 59.09 2d99 n ARG 82 Cb 0.35 -3.45 -0.02 0.00 -1.02 0.00 0.00 32.46 28.31 2d99 n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2d99 s PRO 83 N -3.76 4.26 -0.30 5.56 0.04 -1.26 -4.96 135.00 134.57 2d99 s PRO 83 Ca 0.00 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 2d99 s PRO 83 Cb 0.00 -3.71 0.20 0.00 0.04 0.00 0.00 34.50 31.03 2d99 s PRO 83 CO 0.00 -0.64 1.34 0.45 0.04 0.00 0.00 177.00 178.19 2d99 s SER 84 N 1.88 -0.06 0.19 6.66 0.15 -1.26 -5.17 113.70 116.10 2d99 s SER 84 Ca 0.56 0.10 -0.13 0.00 0.70 0.00 0.00 55.95 57.17 2d99 s SER 84 Cb -0.23 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 2d99 s SER 84 CO 0.17 -0.02 0.42 -0.44 1.20 0.00 0.00 173.24 174.57 2d99 s SER 85 N 0.60 -0.11 0.00 5.45 0.01 -1.26 -4.76 113.70 113.63 2d99 s SER 85 Ca -0.01 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2d99 s SER 85 Cb -0.03 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2d99 s SER 85 CO -0.12 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.13 2d99 n GLY 86 N -0.30 1.15 3.30 3.44 0.00 -1.26 -5.01 105.19 106.50 2d99 n GLY 86 Ca -0.07 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2d99 n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d99 n PRO 87 N 0.00 -2.03 -1.50 1.61 -0.04 -1.26 -4.92 135.00 126.86 2d99 n PRO 87 Ca 0.00 -1.71 0.10 0.00 -0.04 0.00 0.00 63.50 61.85 2d99 n PRO 87 Cb 0.00 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 2d99 n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d99 n SER 88 N -4.22 -8.11 -2.22 3.54 2.88 -1.26 -4.96 113.62 99.28 2d99 n SER 88 Ca 0.14 1.65 -0.03 0.00 -1.33 0.00 0.00 58.87 59.30 2d99 n SER 88 Cb 0.52 -5.03 -0.03 0.00 -0.75 0.00 0.00 64.21 58.93 2d99 n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d99 n SER 89 N -3.60 -1.74 0.00 -3.46 2.88 -1.26 -5.14 113.62 101.29 2d99 n SER 89 Ca -0.06 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 2d99 n SER 89 Cb 0.60 -3.76 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42