#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 -0.38 -0.29 1.61 0.15 -1.26 -5.11 113.70 108.42 2d99 s SER 2 Ca 0.00 0.64 -0.26 0.00 0.70 0.00 0.00 55.95 57.03 2d99 s SER 2 Cb 0.00 1.02 0.19 0.00 -1.71 0.00 0.00 66.02 65.52 2d99 s SER 2 CO 0.00 -0.10 1.40 -0.55 1.20 0.00 0.00 173.24 175.19 2d99 s SER 3 N 0.98 -0.08 0.00 5.45 0.15 -1.26 -5.13 113.70 113.82 2d99 s SER 3 Ca -0.05 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2d99 s SER 3 Cb -0.04 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2d99 s SER 3 CO -0.13 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2d99 n GLY 4 N 1.40 0.62 1.52 9.45 0.00 -1.26 -5.10 105.19 111.83 2d99 n GLY 4 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -6.75 -3.71 1.61 7.64 -1.26 -5.07 113.62 106.08 2d99 n SER 5 Ca 0.00 0.93 -0.12 0.00 1.01 0.00 0.00 58.87 60.69 2d99 n SER 5 Cb 0.00 -3.67 -0.12 0.00 -1.01 0.00 0.00 64.21 59.41 2d99 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d99 s SER 6 N -0.52 -0.26 0.00 6.43 1.04 -1.26 -4.97 113.70 114.15 2d99 s SER 6 Ca 0.00 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2d99 s SER 6 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2d99 s SER 6 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2d99 n GLY 7 N 4.40 3.92 0.36 7.32 0.00 -1.26 -4.53 105.19 115.41 2d99 n GLY 7 Ca -0.22 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.22 -0.79 0.99 3.38 -1.98 1.65 115.31 117.33 2d99 h LEU 8 Ca 0.00 0.20 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2d99 h LEU 8 Cb 0.00 0.56 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2d99 h LEU 8 CO 0.00 -0.34 -0.32 -0.09 0.09 0.00 0.00 178.44 177.78 2d99 h ARG 9 N -0.29 0.55 0.00 1.13 2.43 -1.92 -2.00 114.38 114.28 2d99 h ARG 9 Ca 0.16 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2d99 h ARG 9 Cb 0.56 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2d99 h ARG 9 CO -0.55 0.80 -0.08 -0.22 -1.51 0.00 0.00 179.97 178.40 2d99 h LYS 10 N 0.47 0.00 0.01 0.20 1.63 -1.07 0.36 116.57 118.17 2d99 h LYS 10 Ca 0.06 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2d99 h LYS 10 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2d99 h LYS 10 CO 0.06 0.08 -0.07 0.52 -3.45 0.00 0.00 179.45 176.59 2d99 h MET 11 N 0.00 0.03 0.00 1.90 2.86 0.30 -3.28 114.93 116.74 2d99 h MET 11 Ca -0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2d99 h MET 11 Cb 0.41 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2d99 h MET 11 CO 0.01 0.96 -0.09 -0.24 1.06 0.00 0.00 176.91 178.62 2d99 h VAL 12 N -0.88 0.19 -1.00 -2.22 3.04 -1.22 -2.73 116.25 111.44 2d99 h VAL 12 Ca -0.01 -0.86 0.07 0.00 -1.01 0.00 0.00 66.70 64.88 2d99 h VAL 12 Cb 1.00 1.73 -0.07 0.00 -2.01 0.00 0.00 31.29 31.94 2d99 h VAL 12 CO 0.01 0.08 0.65 -0.33 -1.01 0.00 0.00 177.57 176.97 2d99 h GLU 13 N 0.00 1.13 0.17 4.17 4.39 -0.34 -2.10 114.58 122.00 2d99 h GLU 13 Ca -0.00 -0.07 -0.33 0.00 0.34 0.00 0.00 59.36 59.30 2d99 h GLU 13 Cb 0.72 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2d99 h GLU 13 CO 0.01 0.75 -1.63 1.05 -1.16 0.00 0.00 179.01 178.03 2d99 h GLU 14 N 1.16 0.37 -1.17 2.33 4.11 -1.61 -3.16 114.58 116.61 2d99 h GLU 14 Ca 0.44 -0.63 0.33 0.00 0.07 0.00 0.00 59.36 59.57 2d99 h GLU 14 Cb 0.19 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2d99 h GLU 14 CO -0.18 1.27 0.81 0.28 0.07 0.00 0.00 179.01 181.26 2d99 h VAL 15 N 0.10 0.41 0.00 -1.06 2.07 -1.13 2.03 116.25 118.66 2d99 h VAL 15 Ca -0.29 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2d99 h VAL 15 Cb 2.08 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2d99 h VAL 15 CO 0.19 0.02 -0.91 -0.26 0.02 0.00 0.00 177.57 176.64 2d99 h PHE 16 N 0.13 0.00 0.00 1.57 0.04 -1.47 -2.84 116.94 114.37 2d99 h PHE 16 Ca 0.60 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.37 2d99 h PHE 16 Cb 2.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.25 2d99 h PHE 16 CO -0.00 0.21 -0.54 -0.40 -0.60 0.00 0.00 178.31 176.97 2d99 n ASP 17 N -2.86 0.53 0.00 2.17 5.68 0.58 -3.49 116.55 119.16 2d99 n ASP 17 Ca -0.02 -0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 2d99 n ASP 17 Cb 0.64 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.88 2d99 n ASP 17 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2d99 n VAL 18 N -1.62 0.00 -0.44 2.12 0.31 0.46 -3.36 118.33 115.80 2d99 n VAL 18 Ca 0.05 0.32 0.38 0.00 -0.01 0.00 0.00 64.34 65.08 2d99 n VAL 18 Cb 0.36 -1.21 0.65 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.93 0.23 0.20 7.52 4.77 -1.07 -0.03 117.00 126.68 2d99 n LEU 19 Ca 0.00 1.42 -0.08 0.00 -0.03 0.00 0.00 56.01 57.32 2d99 n LEU 19 Cb 0.00 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.35 2d99 n LEU 19 CO 0.00 -1.56 0.39 0.22 -1.33 0.00 0.00 177.39 175.11 2d99 h TYR 20 N 0.00 -0.49 -0.93 -1.77 3.20 -1.76 -0.44 116.97 114.78 2d99 h TYR 20 Ca 0.87 -0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.99 2d99 h TYR 20 Cb 2.70 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 41.09 2d99 h TYR 20 CO -0.01 -0.30 0.67 1.03 -1.64 0.00 0.00 178.16 177.90 2d99 h SER 21 N -0.66 0.03 0.14 -2.11 0.87 -0.61 0.42 113.55 111.63 2d99 h SER 21 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2d99 h SER 21 Cb 0.41 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2d99 h SER 21 CO 0.09 0.01 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.00 2d99 h GLU 22 N 0.03 -0.18 -0.03 2.24 4.39 -0.31 0.20 114.58 120.93 2d99 h GLU 22 Ca 0.45 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.11 2d99 h GLU 22 Cb 1.73 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 2d99 h GLU 22 CO -0.02 0.20 -0.20 0.00 -1.16 0.00 0.00 179.01 177.82 2d99 h ALA 23 N 0.17 1.62 0.00 3.43 0.00 0.86 -0.60 119.26 124.74 2d99 h ALA 23 Ca -0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2d99 h ALA 23 Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2d99 h ALA 23 CO 0.03 0.28 -0.39 -0.07 0.00 0.00 0.00 179.25 179.11 2d99 h LEU 24 N 0.04 0.00 -1.73 0.00 3.38 -0.14 -3.42 115.31 113.44 2d99 h LEU 24 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2d99 h LEU 24 Cb 0.38 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.23 2d99 h LEU 24 CO 0.03 0.39 -0.44 0.61 0.09 0.00 0.00 178.44 179.12 2d99 n GLY 25 N 0.70 -0.01 4.00 0.83 0.00 0.59 -4.98 105.19 106.33 2d99 n GLY 25 Ca 0.01 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.86 2.47 -0.20 1.61 1.81 -0.56 -4.99 118.95 114.24 2d99 s ARG 26 Ca 0.03 -1.56 -0.20 0.00 -1.72 0.00 0.00 55.73 52.28 2d99 s ARG 26 Cb -0.01 -2.60 -0.17 0.00 -0.45 0.00 0.00 34.95 31.72 2d99 s ARG 26 CO 0.42 -0.62 0.15 0.00 -0.68 0.00 0.00 175.30 174.56 2d99 n ALA 27 N -2.03 0.74 -2.00 2.13 0.00 -1.26 -4.89 120.51 113.20 2d99 n ALA 27 Ca 0.11 -0.48 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 2d99 n ALA 27 Cb 0.61 -0.47 0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 -6.69 4.97 -0.22 0.00 0.01 -1.26 -5.07 113.70 105.44 2d99 s SER 28 Ca -0.27 -0.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.50 2d99 s SER 28 Cb 0.05 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2d99 s SER 28 CO 0.53 -1.38 0.40 -0.69 0.41 0.00 0.00 173.24 172.51 2d99 s VAL 29 N -2.83 5.19 0.20 3.43 1.01 -1.26 -4.90 120.40 121.24 2d99 s VAL 29 Ca 0.61 0.69 0.06 0.00 0.00 0.00 0.00 61.98 63.35 2d99 s VAL 29 Cb -0.08 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2d99 s VAL 29 CO 0.40 0.23 0.11 0.68 0.00 0.00 0.00 175.10 176.52 2d99 s VAL 30 N 1.48 4.24 0.82 2.92 -7.23 -1.25 -5.09 120.40 116.28 2d99 s VAL 30 Ca 0.18 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 58.94 2d99 s VAL 30 Cb -0.15 -3.20 0.09 0.00 0.56 0.00 0.00 36.38 33.68 2d99 s VAL 30 CO 0.08 -0.19 1.11 -2.16 -0.31 0.00 0.00 175.10 173.63 2d99 s PRO 31 N -3.30 1.86 -0.43 4.82 0.04 -1.26 -4.51 135.00 132.21 2d99 s PRO 31 Ca 0.31 0.56 -0.06 0.00 0.04 0.00 0.00 61.00 61.85 2d99 s PRO 31 Cb -0.09 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2d99 s PRO 31 CO 0.22 -1.76 0.27 -1.17 0.04 0.00 0.00 177.00 174.60 2d99 s LEU 32 N -5.84 5.39 -1.24 -3.56 2.96 -1.26 -4.97 118.68 110.16 2d99 s LEU 32 Ca 0.61 -1.89 -0.20 0.00 -0.22 0.00 0.00 54.13 52.43 2d99 s LEU 32 Cb -0.15 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 2d99 s LEU 32 CO 0.54 -0.60 1.84 -0.81 -1.32 0.00 0.00 176.35 176.00 2d99 n PRO 33 N 4.77 2.43 0.00 0.98 -0.04 -1.26 -4.78 135.00 137.10 2d99 n PRO 33 Ca -0.06 -2.87 -0.09 0.00 -0.04 0.00 0.00 63.50 60.43 2d99 n PRO 33 Cb 0.41 -3.60 -0.03 0.00 -0.04 0.00 0.00 33.50 30.24 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 8.54 -0.52 -1.83 0.54 0.05 -1.96 0.17 116.97 121.96 2d99 h TYR 34 Ca 0.34 0.03 0.55 0.00 0.05 0.00 0.00 58.73 59.70 2d99 h TYR 34 Cb 0.90 0.25 -0.09 0.00 1.01 0.00 0.00 36.73 38.79 2d99 h TYR 34 CO 1.32 -0.28 1.29 1.05 -1.05 0.00 0.00 178.16 180.50 2d99 h GLU 35 N -0.25 0.00 0.00 4.88 4.11 -1.98 1.69 114.58 123.02 2d99 h GLU 35 Ca 0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2d99 h GLU 35 Cb 0.40 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2d99 h GLU 35 CO -0.27 0.00 -0.13 0.54 0.07 0.00 0.00 179.01 179.22 2d99 n ARG 36 N -4.14 0.10 -0.39 1.06 5.12 -0.06 -3.56 116.66 114.79 2d99 n ARG 36 Ca 0.43 0.25 0.32 0.00 -1.93 0.00 0.00 57.85 56.93 2d99 n ARG 36 Cb 1.90 -0.89 0.59 0.00 -1.16 0.00 0.00 32.46 32.90 2d99 n ARG 36 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2d99 h LEU 37 N -0.21 0.34 -0.24 0.55 3.38 0.03 1.53 115.31 120.68 2d99 h LEU 37 Ca 0.00 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2d99 h LEU 37 Cb 0.13 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2d99 h LEU 37 CO 0.00 -0.20 0.14 -0.07 0.09 0.00 0.00 178.44 178.39 2d99 h LEU 38 N 0.15 0.30 -0.55 1.67 3.38 0.23 -2.62 115.31 117.86 2d99 h LEU 38 Ca 0.79 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.75 2d99 h LEU 38 Cb 2.23 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.84 2d99 h LEU 38 CO -0.52 0.30 0.22 -0.09 0.09 0.00 0.00 178.44 178.44 2d99 h ARG 39 N 0.29 0.41 -4.70 1.13 1.12 0.21 -3.35 114.38 109.47 2d99 h ARG 39 Ca 0.09 -0.02 -0.68 0.00 -1.11 0.00 0.00 59.98 58.26 2d99 h ARG 39 Cb 0.06 -0.09 -0.36 0.00 -0.01 0.00 0.00 29.97 29.57 2d99 h ARG 39 CO -0.01 0.27 -0.69 -1.83 -3.11 0.00 0.00 179.97 174.59 2d99 s GLU 40 N -6.11 2.01 0.29 0.20 -1.05 -0.58 -4.95 118.70 108.51 2d99 s GLU 40 Ca -0.13 -1.59 0.14 0.00 -0.15 0.00 0.00 54.97 53.25 2d99 s GLU 40 Cb 0.16 -3.22 0.35 0.00 -0.44 0.00 0.00 34.13 30.98 2d99 s GLU 40 CO 0.74 -0.80 1.58 -1.00 0.95 0.00 0.00 175.26 176.72 2d99 h PRO 41 N 7.84 0.00 -0.02 -4.83 0.13 -1.69 -3.07 132.00 130.36 2d99 h PRO 41 Ca -0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.90 2d99 h PRO 41 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2d99 h PRO 41 CO 0.55 0.55 -0.43 0.78 -0.23 0.00 0.00 178.00 179.22 2d99 h GLY 42 N 2.44 0.05 1.01 1.56 0.00 -1.92 -2.60 103.07 103.61 2d99 h GLY 42 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2d99 h GLY 42 CO 0.07 0.04 0.38 -2.00 0.00 0.00 0.00 176.54 175.03 2d99 h LEU 43 N 0.04 0.88 -6.03 3.11 5.85 -1.86 -3.30 115.31 113.99 2d99 h LEU 43 Ca -0.00 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.75 2d99 h LEU 43 Cb 0.78 -0.22 -0.21 0.00 0.37 0.00 0.00 40.66 41.38 2d99 h LEU 43 CO 0.06 0.73 -0.16 -0.22 -0.34 0.00 0.00 178.44 178.51 2d99 s LEU 44 N -9.94 -1.14 -0.13 2.25 2.96 -1.07 -1.68 118.68 109.93 2d99 s LEU 44 Ca -0.13 0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 54.44 2d99 s LEU 44 Cb 0.14 1.97 -0.04 0.00 0.50 0.00 0.00 46.19 48.76 2d99 s LEU 44 CO 0.79 -0.21 0.17 0.00 -1.32 0.00 0.00 176.35 175.78 2d99 s ALA 45 N 2.88 3.81 -0.32 5.97 0.00 0.42 -4.71 121.76 129.81 2d99 s ALA 45 Ca 0.14 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 2d99 s ALA 45 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 2d99 s ALA 45 CO -0.18 0.48 0.28 0.08 0.00 0.00 0.00 175.76 176.42 2d99 s VAL 46 N -0.66 5.24 0.35 0.00 1.01 -1.26 -0.89 120.40 124.19 2d99 s VAL 46 Ca 0.14 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.23 2d99 s VAL 46 Cb -0.12 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2d99 s VAL 46 CO 0.03 0.04 -0.00 -1.10 0.00 0.00 0.00 175.10 174.07 2d99 s GLN 47 N 1.85 2.02 -0.99 2.72 -1.52 0.17 -4.69 119.66 119.23 2d99 s GLN 47 Ca 0.09 -1.82 -0.00 0.00 -1.95 0.00 0.00 55.36 51.68 2d99 s GLN 47 Cb -0.17 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 30.76 2d99 s GLN 47 CO 0.11 0.11 0.03 0.41 -0.25 0.00 0.00 175.29 175.70 2d99 n GLY 48 N -0.94 -0.10 3.82 3.09 0.00 -1.26 0.11 105.19 109.91 2d99 n GLY 48 Ca -0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.43 2.58 -0.64 0.99 1.43 -1.26 -0.43 118.68 117.92 2d99 s LEU 49 Ca 0.01 1.21 -0.27 0.00 -1.03 0.00 0.00 54.13 54.05 2d99 s LEU 49 Cb -0.01 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.40 2d99 s LEU 49 CO 0.02 -1.93 1.54 -2.16 0.23 0.00 0.00 176.35 174.05 2d99 s PRO 50 N -5.23 3.01 0.23 1.29 0.04 -1.26 -4.90 135.00 128.19 2d99 s PRO 50 Ca 0.61 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.81 2d99 s PRO 50 Cb -0.14 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.07 2d99 s PRO 50 CO 0.53 -2.31 0.06 -0.85 0.04 0.00 0.00 177.00 174.48 2d99 n GLU 51 N 9.11 0.00 -2.79 4.56 0.28 -1.26 -2.96 120.64 127.58 2d99 n GLU 51 Ca 0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.04 2d99 n GLU 51 Cb 0.50 -0.60 0.03 0.00 1.43 0.00 0.00 31.44 32.80 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2d99 n GLY 52 N 1.38 0.36 0.00 -1.84 0.00 -1.26 -5.02 105.19 98.81 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 -2.10 0.00 -3.68 0.99 4.77 -1.15 -5.10 117.00 110.72 2d99 n LEU 53 Ca -0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 2d99 n LEU 53 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2d99 n LEU 53 CO 0.23 0.00 0.21 0.00 -1.33 0.00 0.00 177.39 176.49 2d99 s ALA 54 N -1.25 -1.35 -0.21 -1.18 0.00 -1.26 -5.04 121.76 111.48 2d99 s ALA 54 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 51.96 53.31 2d99 s ALA 54 Cb 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 2d99 s ALA 54 CO 0.00 -0.27 2.20 0.34 0.00 0.00 0.00 175.76 178.03 2d99 n PHE 55 N 3.29 1.97 -3.82 0.00 7.35 -1.26 -4.88 117.46 120.11 2d99 n PHE 55 Ca -0.16 -0.10 -0.05 0.00 -0.76 0.00 0.00 57.45 56.37 2d99 n PHE 55 Cb 0.56 -2.71 0.00 0.00 0.35 0.00 0.00 39.48 37.68 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 6.18 1.57 0.44 -4.13 1.70 -1.26 -5.04 118.95 118.41 2d99 s ARG 56 Ca 1.01 -0.94 -0.22 0.00 -0.47 0.00 0.00 55.73 55.11 2d99 s ARG 56 Cb -0.41 0.49 -0.11 0.00 -0.57 0.00 0.00 34.95 34.35 2d99 s ARG 56 CO 0.38 -0.73 0.69 0.54 -1.08 0.00 0.00 175.30 175.10 2d99 n ARG 57 N -0.54 0.79 0.17 3.89 5.12 -1.26 -4.85 116.66 119.98 2d99 n ARG 57 Ca -0.05 0.29 0.13 0.00 -1.93 0.00 0.00 57.85 56.29 2d99 n ARG 57 Cb 0.60 -1.70 0.44 0.00 -1.16 0.00 0.00 32.46 30.64 2d99 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2d99 h PRO 58 N 0.94 0.00 0.00 5.56 0.13 -1.93 -2.51 132.00 134.20 2d99 h PRO 58 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2d99 h PRO 58 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2d99 h PRO 58 CO 0.53 0.00 -0.29 0.00 -0.23 0.00 0.00 178.00 178.00 2d99 h ALA 59 N 2.24 0.84 0.00 -0.56 0.00 -1.91 -3.19 119.26 116.68 2d99 h ALA 59 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2d99 h ALA 59 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2d99 h ALA 59 CO 0.00 0.00 -1.29 0.39 0.00 0.00 0.00 179.25 178.35 2d99 n GLU 60 N -2.68 0.62 -1.05 0.00 1.02 -0.97 -4.94 120.64 112.65 2d99 n GLU 60 Ca 0.03 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.93 2d99 n GLU 60 Cb 0.50 -1.75 0.17 0.00 -0.02 0.00 0.00 31.44 30.33 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 -3.36 2.06 0.78 -0.32 2.02 -1.05 -5.04 117.35 112.43 2d99 s TYR 61 Ca -0.03 1.24 -0.10 0.00 -0.37 0.00 0.00 57.07 57.81 2d99 s TYR 61 Cb 0.11 -3.19 0.17 0.00 -0.40 0.00 0.00 41.96 38.65 2d99 s TYR 61 CO 0.82 -2.77 1.06 -0.25 -1.57 0.00 0.00 175.55 172.84 2d99 n ASP 62 N -4.14 0.37 -0.00 2.29 8.00 -1.26 -4.93 116.55 116.87 2d99 n ASP 62 Ca 0.06 -1.56 -0.11 0.00 0.71 0.00 0.00 54.79 53.90 2d99 n ASP 62 Cb 0.55 -0.78 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 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 -0.09 0.00 -0.24 0.13 -1.97 -2.88 132.00 126.95 2d99 h PRO 63 Ca -0.34 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2d99 h PRO 63 Cb 1.02 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2d99 h PRO 63 CO 0.27 0.48 -0.10 0.87 -0.23 0.00 0.00 178.00 179.28 2d99 h LYS 64 N -0.84 0.00 0.73 0.86 6.56 -1.99 -2.95 116.57 118.94 2d99 h LYS 64 Ca -0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 2d99 h LYS 64 Cb 0.61 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.28 2d99 h LYS 64 CO 0.02 0.10 -0.35 0.00 -2.06 0.00 0.00 179.45 177.16 2d99 h ALA 65 N 1.90 -1.07 -0.81 3.86 0.00 -1.94 0.92 119.26 122.12 2d99 h ALA 65 Ca -0.00 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.89 2d99 h ALA 65 Cb 0.38 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 18.41 2d99 h ALA 65 CO 0.01 -1.00 0.05 -0.07 0.00 0.00 0.00 179.25 178.25 2d99 h LEU 66 N -1.15 -0.30 -1.62 0.00 3.38 -1.35 1.69 115.31 115.95 2d99 h LEU 66 Ca -0.10 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2d99 h LEU 66 Cb 0.75 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2d99 h LEU 66 CO 0.16 -0.19 -0.20 0.24 0.09 0.00 0.00 178.44 178.54 2d99 h MET 67 N 0.12 0.00 0.00 1.13 2.86 -1.39 0.17 114.93 117.81 2d99 h MET 67 Ca 0.47 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.06 2d99 h MET 67 Cb 0.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2d99 h MET 67 CO -0.70 0.20 -0.33 0.00 1.06 0.00 0.00 176.91 177.14 2d99 h ALA 68 N 1.80 0.83 0.23 6.32 0.00 0.47 -2.88 119.26 126.02 2d99 h ALA 68 Ca -0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 2d99 h ALA 68 Cb 0.38 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.18 2d99 h ALA 68 CO 0.03 0.26 -1.56 0.82 0.00 0.00 0.00 179.25 178.79 2d99 h ILE 69 N 0.00 1.15 0.00 0.00 2.04 0.19 0.58 117.51 121.47 2d99 h ILE 69 Ca -0.01 -2.62 -0.01 0.00 1.00 0.00 0.00 64.86 63.22 2d99 h ILE 69 Cb 1.16 2.94 -0.00 0.00 -0.74 0.00 0.00 36.82 40.18 2d99 h ILE 69 CO 0.02 0.82 -0.06 -0.07 0.00 0.00 0.00 178.15 178.87 2d99 h LEU 70 N 0.10 0.00 0.08 1.44 3.38 -0.77 1.51 115.31 121.05 2d99 h LEU 70 Ca -0.29 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.32 2d99 h LEU 70 Cb 2.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.84 2d99 h LEU 70 CO 0.23 0.06 -2.11 -0.62 0.09 0.00 0.00 178.44 176.10 2d99 n GLU 71 N -3.26 0.72 0.01 1.13 1.02 -1.09 -4.07 120.64 115.11 2d99 n GLU 71 Ca -0.01 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.49 2d99 n GLU 71 Cb 0.27 -1.66 0.44 0.00 -0.02 0.00 0.00 31.44 30.46 2d99 n GLU 71 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2d99 n HIS 72 N -3.36 0.09 -0.34 -0.32 8.25 0.19 -3.84 115.22 115.90 2d99 n HIS 72 Ca -0.34 0.03 0.20 0.00 -0.26 0.00 0.00 57.72 57.35 2d99 n HIS 72 Cb 1.04 -0.44 0.42 0.00 1.12 0.00 0.00 29.99 32.13 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 0.57 -0.20 0.41 4.64 0.20 1.67 113.55 120.84 2d99 h SER 73 Ca 0.00 0.16 0.06 0.00 -0.47 0.00 0.00 61.79 61.54 2d99 h SER 73 Cb 0.53 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2d99 h SER 73 CO 0.00 -0.02 0.49 1.12 -0.87 0.00 0.00 176.83 177.55 2d99 h HIS 74 N 0.45 0.00 0.00 4.77 2.07 -1.82 0.13 115.15 120.74 2d99 h HIS 74 Ca 0.68 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.82 2d99 h HIS 74 Cb 1.42 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.33 2d99 h HIS 74 CO -0.02 0.00 -2.44 0.54 -3.07 0.00 0.00 177.93 172.94 2d99 n ARG 75 N -3.14 0.65 -1.67 5.12 1.74 0.56 -4.95 116.66 114.96 2d99 n ARG 75 Ca 0.03 0.13 -0.66 0.00 -0.77 0.00 0.00 57.85 56.58 2d99 n ARG 75 Cb 0.59 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 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 -3.18 0.03 -3.99 0.55 5.41 0.44 -4.36 119.36 114.27 2d99 n ILE 76 Ca -0.43 -0.01 -0.20 0.00 1.00 0.00 0.00 62.75 63.10 2d99 n ILE 76 Cb 1.01 -0.58 -0.17 0.00 -0.71 0.00 0.00 39.64 39.19 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 3.50 0.66 0.20 0.38 0.52 0.30 -4.95 118.95 119.56 2d99 s ARG 77 Ca 1.07 -0.00 -0.20 0.00 -0.52 0.00 0.00 55.73 56.07 2d99 s ARG 77 Cb -1.46 -0.81 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 2d99 s ARG 77 CO 0.78 -0.16 0.71 -0.06 0.02 0.00 0.00 175.30 176.59 2d99 s PHE 78 N 1.28 3.69 -0.14 -0.53 0.40 -1.26 -0.65 117.98 120.76 2d99 s PHE 78 Ca -0.06 1.39 -0.01 0.00 -0.60 0.00 0.00 56.93 57.66 2d99 s PHE 78 Cb -0.13 -2.62 0.03 0.00 0.51 0.00 0.00 43.02 40.81 2d99 s PHE 78 CO -0.02 0.38 -0.06 0.15 0.70 0.00 0.00 175.22 176.37 2d99 s LYS 79 N -1.83 1.43 0.35 0.44 -0.14 -0.07 -4.93 119.74 114.99 2d99 s LYS 79 Ca 0.41 -0.39 -0.05 0.00 -1.36 0.00 0.00 55.97 54.58 2d99 s LYS 79 Cb -0.17 -1.81 -0.05 0.00 -1.68 0.00 0.00 37.83 34.12 2d99 s LYS 79 CO 0.21 -0.36 0.62 -0.51 -0.76 0.00 0.00 175.35 174.55 2d99 s LEU 80 N 1.68 3.95 0.65 3.17 1.43 -1.26 -0.43 118.68 127.87 2d99 s LEU 80 Ca 0.03 0.77 0.29 0.00 -1.03 0.00 0.00 54.13 54.19 2d99 s LEU 80 Cb -0.14 -3.62 1.59 0.00 0.03 0.00 0.00 46.19 44.04 2d99 s LEU 80 CO -0.08 -0.30 1.91 0.07 0.23 0.00 0.00 176.35 178.18 2d99 h LYS 81 N 1.24 0.00 -6.15 1.70 2.10 -1.41 -3.39 116.57 110.66 2d99 h LYS 81 Ca -0.48 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.51 2d99 h LYS 81 Cb 1.20 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.39 2d99 h LYS 81 CO 0.64 0.00 -0.64 1.03 -2.00 0.00 0.00 179.45 178.48 2d99 s ARG 82 N -4.19 2.80 0.20 0.07 3.00 -1.26 -5.01 118.95 114.56 2d99 s ARG 82 Ca -0.03 -0.61 0.06 0.00 0.00 0.00 0.00 55.73 55.14 2d99 s ARG 82 Cb 0.10 -2.68 0.11 0.00 0.00 0.00 0.00 34.95 32.48 2d99 s ARG 82 CO 0.32 0.62 1.46 -1.00 0.00 0.00 0.00 175.30 176.70 2d99 h PRO 83 N 4.28 0.12 -6.33 3.54 0.13 -2.01 -3.44 132.00 128.28 2d99 h PRO 83 Ca -0.49 -0.11 -0.54 0.00 -0.87 0.00 0.00 66.00 63.99 2d99 h PRO 83 Cb 1.18 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2d99 h PRO 83 CO 0.58 0.83 1.15 -1.12 -0.23 0.00 0.00 178.00 179.21 2d99 s SER 84 N -6.87 6.55 -0.27 1.44 0.01 -1.26 -4.94 113.70 108.36 2d99 s SER 84 Ca -0.02 2.49 -0.26 0.00 1.31 0.00 0.00 55.95 59.47 2d99 s SER 84 Cb 0.11 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.94 2d99 s SER 84 CO 0.80 -0.99 1.12 -0.94 0.41 0.00 0.00 173.24 173.64 2d99 s SER 85 N 3.77 -0.35 0.00 2.44 1.04 -1.26 -4.98 113.70 114.35 2d99 s SER 85 Ca 0.81 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.86 2d99 s SER 85 Cb -0.39 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2d99 s SER 85 CO 0.36 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2d99 n GLY 86 N 1.81 -0.15 0.10 7.32 0.00 -1.26 -5.03 105.19 107.98 2d99 n GLY 86 Ca -0.11 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 2d99 n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d99 h PRO 87 N 0.00 0.19 -6.49 1.61 0.13 -1.94 -3.46 132.00 122.04 2d99 h PRO 87 Ca 0.00 -0.19 -0.58 0.00 -0.87 0.00 0.00 66.00 64.36 2d99 h PRO 87 Cb 0.21 0.05 0.17 0.00 0.13 0.00 0.00 31.00 31.56 2d99 h PRO 87 CO 0.00 0.89 -0.40 0.45 -0.23 0.00 0.00 178.00 178.71 2d99 n SER 88 N -4.51 -1.07 -3.03 1.44 2.88 -1.26 -3.86 113.62 104.22 2d99 n SER 88 Ca -0.09 0.74 -0.01 0.00 -1.33 0.00 0.00 58.87 58.18 2d99 n SER 88 Cb 0.49 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 2d99 n SER 88 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d99 n SER 89 N 0.54 -7.09 0.00 -3.46 7.64 -1.26 -5.21 113.62 104.78 2d99 n SER 89 Ca 0.12 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.75 2d99 n SER 89 Cb 0.47 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.70 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64