#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 -0.61 -0.37 1.61 0.15 -1.26 -5.12 113.70 108.10 2d99 s SER 2 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2d99 s SER 2 Cb 0.00 1.19 0.13 0.00 -1.71 0.00 0.00 66.02 65.63 2d99 s SER 2 CO 0.00 -0.21 0.19 -0.44 1.20 0.00 0.00 173.24 173.99 2d99 s SER 3 N 0.30 3.47 0.00 5.45 0.01 -1.26 -5.03 113.70 116.64 2d99 s SER 3 Ca 0.01 -2.17 0.00 0.00 1.31 0.00 0.00 55.95 55.10 2d99 s SER 3 Cb -0.05 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2d99 s SER 3 CO -0.02 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2d99 n GLY 4 N 4.11 2.86 3.44 3.44 0.00 -1.26 -5.16 105.19 112.62 2d99 n GLY 4 Ca 0.07 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 2d99 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d99 s SER 5 N 0.00 -0.64 0.28 1.61 0.15 -1.26 -5.17 113.70 108.67 2d99 s SER 5 Ca 0.00 1.13 0.06 0.00 0.70 0.00 0.00 55.95 57.85 2d99 s SER 5 Cb 0.00 1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 65.36 2d99 s SER 5 CO 0.00 -0.20 0.33 -0.44 1.20 0.00 0.00 173.24 174.13 2d99 s SER 6 N 0.93 5.86 0.00 5.45 0.01 -1.26 -4.86 113.70 119.83 2d99 s SER 6 Ca -0.05 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2d99 s SER 6 Cb -0.05 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2d99 s SER 6 CO -0.08 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2d99 n GLY 7 N -1.40 2.81 0.09 3.44 0.00 -1.26 -4.76 105.19 104.12 2d99 n GLY 7 Ca -0.05 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 2d99 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d99 n LEU 8 N 0.00 1.88 0.04 0.99 4.77 -1.26 -3.48 117.00 119.94 2d99 n LEU 8 Ca 0.00 0.46 0.01 0.00 -0.03 0.00 0.00 56.01 56.45 2d99 n LEU 8 Cb 0.00 -0.85 0.35 0.00 -2.33 0.00 0.00 43.42 40.59 2d99 n LEU 8 CO 0.00 -0.09 0.95 -0.09 -1.33 0.00 0.00 177.39 176.83 2d99 h ARG 9 N -1.00 0.42 -0.26 3.23 2.43 -1.94 -1.53 114.38 115.73 2d99 h ARG 9 Ca -0.19 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.79 2d99 h ARG 9 Cb 0.99 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2d99 h ARG 9 CO -0.12 0.46 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.30 2d99 h LYS 10 N 0.41 0.52 0.53 0.20 1.63 -1.86 0.16 116.57 118.16 2d99 h LYS 10 Ca 0.09 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 2d99 h LYS 10 Cb 0.29 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2d99 h LYS 10 CO 0.01 0.75 -0.25 0.52 -3.45 0.00 0.00 179.45 177.03 2d99 h MET 11 N 0.45 -0.69 -0.19 1.90 2.86 -1.34 -3.02 114.93 114.91 2d99 h MET 11 Ca 0.06 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2d99 h MET 11 Cb 0.73 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 2d99 h MET 11 CO 0.06 -0.38 -0.02 -0.24 1.06 0.00 0.00 176.91 177.39 2d99 h VAL 12 N -0.99 1.13 -0.82 -2.22 3.04 -1.37 -2.25 116.25 112.77 2d99 h VAL 12 Ca -0.07 -0.52 0.20 0.00 -1.01 0.00 0.00 66.70 65.29 2d99 h VAL 12 Cb 0.62 1.01 -0.12 0.00 -2.01 0.00 0.00 31.29 30.79 2d99 h VAL 12 CO 0.12 0.17 0.26 -0.33 -1.01 0.00 0.00 177.57 176.78 2d99 h GLU 13 N 0.27 0.29 -0.01 4.17 4.39 -0.54 0.12 114.58 123.27 2d99 h GLU 13 Ca 0.06 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.48 2d99 h GLU 13 Cb 0.21 -0.07 0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2d99 h GLU 13 CO 0.01 0.19 -1.02 1.05 -1.16 0.00 0.00 179.01 178.08 2d99 h GLU 14 N 0.30 0.70 0.00 2.33 4.11 -1.33 -3.15 114.58 117.54 2d99 h GLU 14 Ca 0.49 -0.74 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2d99 h GLU 14 Cb 0.91 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2d99 h GLU 14 CO -0.55 1.32 0.00 0.28 0.07 0.00 0.00 179.01 180.12 2d99 n VAL 15 N -3.86 0.00 -0.43 -1.06 0.31 0.32 0.21 118.33 113.82 2d99 n VAL 15 Ca -0.11 1.37 0.38 0.00 -0.01 0.00 0.00 64.34 65.97 2d99 n VAL 15 Cb 0.87 -2.04 0.72 0.00 -0.91 0.00 0.00 33.84 32.48 2d99 n VAL 15 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2d99 h PHE 16 N 0.00 0.17 0.31 3.52 0.04 -1.39 0.86 116.94 120.45 2d99 h PHE 16 Ca 0.00 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 2d99 h PHE 16 Cb 0.00 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.11 2d99 h PHE 16 CO -0.40 -0.02 -0.15 -0.44 -0.60 0.00 0.00 178.31 176.70 2d99 h ASP 17 N 0.07 -0.36 -0.46 2.17 5.19 -0.69 -2.19 116.42 120.15 2d99 h ASP 17 Ca 0.69 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 57.16 2d99 h ASP 17 Cb 2.55 0.09 -0.08 0.00 0.18 0.00 0.00 39.33 42.07 2d99 h ASP 17 CO -0.11 -0.04 -0.51 0.58 -3.12 0.00 0.00 179.24 176.04 2d99 h VAL 18 N -0.86 0.00 -0.40 -1.35 2.07 0.43 0.22 116.25 116.36 2d99 h VAL 18 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2d99 h VAL 18 Cb 0.32 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 2d99 h VAL 18 CO 0.07 0.00 -0.38 -0.07 0.02 0.00 0.00 177.57 177.21 2d99 h LEU 19 N -0.30 -1.31 -0.81 2.57 3.38 -1.04 0.67 115.31 118.46 2d99 h LEU 19 Ca 0.08 0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.39 2d99 h LEU 19 Cb 0.51 0.55 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 2d99 h LEU 19 CO -0.59 -0.23 -0.22 0.22 0.09 0.00 0.00 178.44 177.70 2d99 h TYR 20 N -0.18 -0.50 -0.82 1.13 3.20 -0.59 0.70 116.97 119.91 2d99 h TYR 20 Ca 0.07 0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2d99 h TYR 20 Cb 0.36 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 2d99 h TYR 20 CO -0.79 -0.36 0.54 0.77 -1.64 0.00 0.00 178.16 176.68 2d99 h SER 21 N -0.01 0.93 -0.18 -2.11 0.02 0.18 0.57 113.55 112.95 2d99 h SER 21 Ca 0.38 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 2d99 h SER 21 Cb 0.60 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2d99 h SER 21 CO -0.84 0.67 0.06 -0.33 -1.14 0.00 0.00 176.83 175.24 2d99 h GLU 22 N 1.10 0.14 -0.20 3.45 4.39 0.60 1.33 114.58 125.39 2d99 h GLU 22 Ca 0.30 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.89 2d99 h GLU 22 Cb -0.11 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2d99 h GLU 22 CO -0.07 0.09 -0.34 0.00 -1.16 0.00 0.00 179.01 177.53 2d99 h ALA 23 N 1.12 1.05 0.00 3.43 0.00 -0.20 -2.13 119.26 122.53 2d99 h ALA 23 Ca 0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2d99 h ALA 23 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2d99 h ALA 23 CO -0.09 0.58 -0.32 -0.07 0.00 0.00 0.00 179.25 179.35 2d99 h LEU 24 N 0.36 0.00 -1.35 0.00 3.38 0.95 -3.48 115.31 115.18 2d99 h LEU 24 Ca 0.04 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 2d99 h LEU 24 Cb 0.77 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.62 2d99 h LEU 24 CO 0.06 0.32 -0.51 0.61 0.09 0.00 0.00 178.44 179.02 2d99 n GLY 25 N 0.41 -0.11 4.02 0.83 0.00 0.45 -5.03 105.19 105.76 2d99 n GLY 25 Ca 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.41 2.37 -0.21 1.61 1.81 -0.87 -5.05 118.95 113.21 2d99 s ARG 26 Ca 0.20 -1.41 -0.18 0.00 -1.72 0.00 0.00 55.73 52.61 2d99 s ARG 26 Cb -0.09 -2.62 -0.15 0.00 -0.45 0.00 0.00 34.95 31.64 2d99 s ARG 26 CO 0.51 -0.78 0.05 0.00 -0.68 0.00 0.00 175.30 174.40 2d99 n ALA 27 N -2.23 0.79 -2.48 2.13 0.00 -1.26 -4.89 120.51 112.56 2d99 n ALA 27 Ca 0.13 -0.57 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 2d99 n ALA 27 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 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 -6.72 6.26 -0.46 0.00 0.01 -1.26 -5.04 113.70 106.49 2d99 s SER 28 Ca -0.28 0.64 -0.25 0.00 1.31 0.00 0.00 55.95 57.38 2d99 s SER 28 Cb 0.06 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.22 2d99 s SER 28 CO 0.51 -0.43 0.88 -0.69 0.41 0.00 0.00 173.24 173.91 2d99 s VAL 29 N -2.51 4.53 0.31 3.43 1.01 -1.26 -4.93 120.40 120.99 2d99 s VAL 29 Ca 0.43 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.00 2d99 s VAL 29 Cb -0.10 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 2d99 s VAL 29 CO 0.40 -0.80 0.55 0.68 0.00 0.00 0.00 175.10 175.93 2d99 s VAL 30 N 3.60 5.06 0.92 2.92 -7.23 -1.26 -5.03 120.40 119.37 2d99 s VAL 30 Ca 0.34 -0.14 -0.13 0.00 -1.81 0.00 0.00 61.98 60.24 2d99 s VAL 30 Cb -0.11 -3.78 0.14 0.00 0.56 0.00 0.00 36.38 33.19 2d99 s VAL 30 CO 0.25 -0.42 1.14 -2.16 -0.31 0.00 0.00 175.10 173.60 2d99 s PRO 31 N -3.86 1.05 -0.38 4.82 0.04 -1.26 -4.67 135.00 130.74 2d99 s PRO 31 Ca 0.42 0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 2d99 s PRO 31 Cb -0.10 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2d99 s PRO 31 CO 0.33 -2.25 0.14 -1.17 0.04 0.00 0.00 177.00 174.09 2d99 s LEU 32 N -6.06 4.92 -1.19 -3.56 2.96 -1.26 -4.98 118.68 109.50 2d99 s LEU 32 Ca 0.64 -1.90 -0.21 0.00 -0.22 0.00 0.00 54.13 52.45 2d99 s LEU 32 Cb -0.14 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 2d99 s LEU 32 CO 0.53 -0.46 1.81 -2.16 -1.32 0.00 0.00 176.35 174.75 2d99 s PRO 33 N 1.13 3.23 0.11 0.98 0.04 -1.26 -4.78 135.00 134.45 2d99 s PRO 33 Ca 0.06 -1.44 -0.22 0.00 0.04 0.00 0.00 61.00 59.44 2d99 s PRO 33 Cb -0.22 -5.36 -0.08 0.00 0.04 0.00 0.00 34.50 28.88 2d99 s PRO 33 CO -0.04 -3.05 1.72 1.88 0.04 0.00 0.00 177.00 177.55 2d99 h TYR 34 N 8.96 -0.09 -1.78 0.56 0.05 -1.96 0.11 116.97 122.82 2d99 h TYR 34 Ca 0.30 0.01 0.52 0.00 0.05 0.00 0.00 58.73 59.61 2d99 h TYR 34 Cb 0.92 0.05 -0.07 0.00 1.01 0.00 0.00 36.73 38.65 2d99 h TYR 34 CO 1.31 -0.07 1.30 1.05 -1.05 0.00 0.00 178.16 180.70 2d99 h GLU 35 N -0.03 0.00 0.00 4.88 4.11 -1.98 1.71 114.58 123.26 2d99 h GLU 35 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2d99 h GLU 35 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2d99 h GLU 35 CO -0.11 0.00 -0.28 0.54 0.07 0.00 0.00 179.01 179.23 2d99 n ARG 36 N -3.96 0.19 -0.36 1.06 5.12 -0.48 -3.82 116.66 114.42 2d99 n ARG 36 Ca 0.40 0.26 0.27 0.00 -1.93 0.00 0.00 57.85 56.85 2d99 n ARG 36 Cb 1.84 -1.04 0.53 0.00 -1.16 0.00 0.00 32.46 32.63 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 -0.41 0.43 -0.71 0.55 3.38 -0.05 1.51 115.31 120.01 2d99 h LEU 37 Ca 0.00 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2d99 h LEU 37 Cb 0.28 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2d99 h LEU 37 CO 0.00 -0.11 0.45 -0.07 0.09 0.00 0.00 178.44 178.79 2d99 h LEU 38 N 0.27 0.73 -0.80 1.67 3.38 0.23 -1.64 115.31 119.16 2d99 h LEU 38 Ca 0.73 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.78 2d99 h LEU 38 Cb 1.88 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 42.41 2d99 h LEU 38 CO -0.51 0.51 0.47 -0.09 0.09 0.00 0.00 178.44 178.91 2d99 h ARG 39 N 0.87 0.80 -4.61 1.13 2.43 0.20 -3.36 114.38 111.85 2d99 h ARG 39 Ca 0.29 -0.05 -0.65 0.00 -0.81 0.00 0.00 59.98 58.76 2d99 h ARG 39 Cb 0.02 -0.18 -0.39 0.00 -0.42 0.00 0.00 29.97 29.00 2d99 h ARG 39 CO -0.11 0.53 -0.76 -1.83 -1.51 0.00 0.00 179.97 176.29 2d99 s GLU 40 N -6.06 1.70 0.40 0.20 -1.05 -0.62 -4.96 118.70 108.32 2d99 s GLU 40 Ca -0.13 -1.51 0.22 0.00 -0.15 0.00 0.00 54.97 53.41 2d99 s GLU 40 Cb 0.18 -2.92 0.63 0.00 -0.44 0.00 0.00 34.13 31.59 2d99 s GLU 40 CO 0.78 -0.77 1.70 -1.00 0.95 0.00 0.00 175.26 176.92 2d99 h PRO 41 N 7.75 0.00 0.00 -4.83 0.13 -1.70 -3.01 132.00 130.34 2d99 h PRO 41 Ca -0.12 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.89 2d99 h PRO 41 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2d99 h PRO 41 CO 0.48 0.25 -0.58 0.78 -0.23 0.00 0.00 178.00 178.71 2d99 h GLY 42 N 2.74 0.00 1.01 1.56 0.00 -1.93 -2.93 103.07 103.52 2d99 h GLY 42 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2d99 h GLY 42 CO 0.03 0.00 0.33 -2.00 0.00 0.00 0.00 176.54 174.90 2d99 h LEU 43 N 0.00 0.89 -6.23 3.11 5.85 -1.85 -3.32 115.31 113.76 2d99 h LEU 43 Ca -0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2d99 h LEU 43 Cb 1.10 -0.23 -0.25 0.00 0.37 0.00 0.00 40.66 41.65 2d99 h LEU 43 CO 0.07 0.77 -0.37 -0.22 -0.34 0.00 0.00 178.44 178.36 2d99 s LEU 44 N -9.85 -1.03 -0.19 2.25 2.96 -1.16 -1.81 118.68 109.85 2d99 s LEU 44 Ca -0.13 0.58 -0.11 0.00 -0.22 0.00 0.00 54.13 54.25 2d99 s LEU 44 Cb 0.14 1.67 -0.05 0.00 0.50 0.00 0.00 46.19 48.45 2d99 s LEU 44 CO 0.80 -0.28 0.18 0.00 -1.32 0.00 0.00 176.35 175.73 2d99 s ALA 45 N 2.71 3.67 -0.26 5.97 0.00 -0.12 -4.72 121.76 129.01 2d99 s ALA 45 Ca 0.17 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 2d99 s ALA 45 Cb -0.15 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2d99 s ALA 45 CO -0.18 0.15 0.35 0.08 0.00 0.00 0.00 175.76 176.16 2d99 s VAL 46 N 0.35 5.20 0.36 0.00 1.01 -1.26 -1.54 120.40 124.51 2d99 s VAL 46 Ca 0.11 0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.71 2d99 s VAL 46 Cb -0.12 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2d99 s VAL 46 CO -0.00 0.18 -0.01 -1.10 0.00 0.00 0.00 175.10 174.17 2d99 s GLN 47 N 1.93 1.98 -1.15 2.72 -1.52 0.57 -4.70 119.66 119.48 2d99 s GLN 47 Ca 0.14 -1.90 -0.01 0.00 -1.95 0.00 0.00 55.36 51.65 2d99 s GLN 47 Cb -0.16 -1.80 0.00 0.00 -0.22 0.00 0.00 33.01 30.84 2d99 s GLN 47 CO 0.10 0.08 0.11 0.41 -0.25 0.00 0.00 175.29 175.73 2d99 n GLY 48 N -0.93 -0.18 3.83 3.09 0.00 -1.26 0.16 105.19 109.90 2d99 n GLY 48 Ca -0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.15 2.56 -0.63 0.99 1.43 -1.26 -0.10 118.68 117.51 2d99 s LEU 49 Ca 0.05 1.17 -0.27 0.00 -1.03 0.00 0.00 54.13 54.05 2d99 s LEU 49 Cb -0.02 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.44 2d99 s LEU 49 CO 0.07 -1.92 1.54 -2.16 0.23 0.00 0.00 176.35 174.11 2d99 s PRO 50 N -5.26 3.02 0.23 1.29 0.04 -1.26 -4.90 135.00 128.16 2d99 s PRO 50 Ca 0.61 0.31 -0.13 0.00 0.04 0.00 0.00 61.00 61.83 2d99 s PRO 50 Cb -0.13 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.07 2d99 s PRO 50 CO 0.53 -2.29 0.07 0.39 0.04 0.00 0.00 177.00 175.74 2d99 n GLU 51 N 9.08 0.00 -2.79 4.56 -0.58 -1.26 -2.96 120.64 126.69 2d99 n GLU 51 Ca 0.12 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.79 2d99 n GLU 51 Cb 0.50 -0.60 0.03 0.00 -0.57 0.00 0.00 31.44 30.80 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d99 n GLY 52 N 1.38 0.36 0.00 0.62 0.00 -1.26 -5.02 105.19 101.26 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 -3.69 0.99 4.77 -1.15 -5.09 117.00 110.73 2d99 n LEU 53 Ca -0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2d99 n LEU 53 Cb 0.53 0.00 -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 0.00 177.39 176.51 2d99 s ALA 54 N -1.24 -1.33 -0.20 -1.18 0.00 -1.26 -5.04 121.76 111.51 2d99 s ALA 54 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 2d99 s ALA 54 Cb 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 2d99 s ALA 54 CO 0.00 -0.26 2.19 0.34 0.00 0.00 0.00 175.76 178.03 2d99 n PHE 55 N 2.63 2.00 -3.65 0.00 7.35 -1.26 -4.89 117.46 119.65 2d99 n PHE 55 Ca -0.14 -0.13 -0.07 0.00 -0.76 0.00 0.00 57.45 56.35 2d99 n PHE 55 Cb 0.56 -2.72 -0.02 0.00 0.35 0.00 0.00 39.48 37.65 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 6.13 1.25 0.47 -4.13 1.70 -1.26 -5.04 118.95 118.08 2d99 s ARG 56 Ca 1.00 -0.61 -0.17 0.00 -0.47 0.00 0.00 55.73 55.48 2d99 s ARG 56 Cb -0.38 0.48 -0.14 0.00 -0.57 0.00 0.00 34.95 34.34 2d99 s ARG 56 CO 0.37 -0.57 -0.10 0.54 -1.08 0.00 0.00 175.30 174.46 2d99 n ARG 57 N -0.39 0.00 0.24 3.89 1.74 -1.26 -4.76 116.66 116.11 2d99 n ARG 57 Ca -0.09 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.13 2d99 n ARG 57 Cb 0.61 -0.95 0.40 0.00 -1.02 0.00 0.00 32.46 31.51 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 0.02 0.00 0.00 5.56 0.13 -1.96 -2.62 132.00 133.13 2d99 h PRO 58 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.40 0.06 -0.49 0.00 -0.23 0.00 0.00 178.00 177.75 2d99 h ALA 59 N 1.94 0.73 0.00 -0.56 0.00 -1.89 -3.22 119.26 116.25 2d99 h ALA 59 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2d99 h ALA 59 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2d99 h ALA 59 CO 0.01 0.00 -0.80 0.93 0.00 0.00 0.00 179.25 179.39 2d99 h GLU 60 N 0.00 0.00 -7.35 0.00 4.39 -1.80 -3.47 114.58 106.34 2d99 h GLU 60 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 2d99 h GLU 60 Cb 0.90 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 29.71 2d99 h GLU 60 CO 0.00 0.01 0.19 0.71 -1.16 0.00 0.00 179.01 178.77 2d99 s TYR 61 N -3.32 2.09 0.79 4.33 2.02 -1.04 -5.01 117.35 117.23 2d99 s TYR 61 Ca 0.01 1.00 -0.09 0.00 -0.37 0.00 0.00 57.07 57.62 2d99 s TYR 61 Cb 0.09 -3.26 0.17 0.00 -0.40 0.00 0.00 41.96 38.56 2d99 s TYR 61 CO 0.76 -2.90 1.08 -0.25 -1.57 0.00 0.00 175.55 172.67 2d99 n ASP 62 N -4.18 0.50 -0.02 2.29 8.00 -1.26 -4.93 116.55 116.95 2d99 n ASP 62 Ca 0.05 -1.65 -0.12 0.00 0.71 0.00 0.00 54.79 53.78 2d99 n ASP 62 Cb 0.57 -0.79 -0.10 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 -0.05 0.00 -0.24 0.13 -1.97 -2.81 132.00 127.06 2d99 h PRO 63 Ca -0.35 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2d99 h PRO 63 Cb 1.07 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2d99 h PRO 63 CO 0.29 0.61 -0.18 0.87 -0.23 0.00 0.00 178.00 179.36 2d99 h LYS 64 N -0.80 0.00 0.75 0.86 6.56 -1.99 -2.91 116.57 119.04 2d99 h LYS 64 Ca -0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 2d99 h LYS 64 Cb 0.68 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.35 2d99 h LYS 64 CO 0.01 0.18 -0.36 0.00 -2.06 0.00 0.00 179.45 177.22 2d99 h ALA 65 N 1.82 -1.01 -0.87 3.86 0.00 -1.94 0.77 119.26 121.89 2d99 h ALA 65 Ca -0.00 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 54.89 2d99 h ALA 65 Cb 0.51 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 2d99 h ALA 65 CO 0.02 -0.98 0.36 -0.07 0.00 0.00 0.00 179.25 178.58 2d99 h LEU 66 N -1.18 0.28 -1.35 0.00 3.38 -1.36 1.21 115.31 116.29 2d99 h LEU 66 Ca -0.10 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2d99 h LEU 66 Cb 0.79 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2d99 h LEU 66 CO 0.17 -0.00 -0.27 0.24 0.09 0.00 0.00 178.44 178.67 2d99 h MET 67 N 0.39 0.08 0.00 1.13 2.86 -1.32 -0.63 114.93 117.44 2d99 h MET 67 Ca 0.54 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 58.08 2d99 h MET 67 Cb 1.00 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2d99 h MET 67 CO -0.53 0.35 -0.52 0.00 1.06 0.00 0.00 176.91 177.28 2d99 h ALA 68 N 1.65 0.75 -0.04 6.32 0.00 0.35 -2.91 119.26 125.38 2d99 h ALA 68 Ca 0.01 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 2d99 h ALA 68 Cb 0.52 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2d99 h ALA 68 CO 0.04 0.39 -0.61 0.82 0.00 0.00 0.00 179.25 179.89 2d99 h ILE 69 N 0.00 1.39 0.00 0.00 2.04 0.18 0.55 117.51 121.66 2d99 h ILE 69 Ca -0.02 -2.00 -0.02 0.00 1.00 0.00 0.00 64.86 63.81 2d99 h ILE 69 Cb 1.24 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 39.74 2d99 h ILE 69 CO 0.03 0.59 -0.11 -0.07 0.00 0.00 0.00 178.15 178.60 2d99 h LEU 70 N 0.04 0.00 0.13 1.44 3.38 -1.21 1.56 115.31 120.64 2d99 h LEU 70 Ca -0.07 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.55 2d99 h LEU 70 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2d99 h LEU 70 CO 0.12 0.11 -1.93 -0.33 0.09 0.00 0.00 178.44 176.50 2d99 h GLU 71 N 0.00 0.27 0.00 1.13 5.08 -1.39 -3.34 114.58 116.33 2d99 h GLU 71 Ca -0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2d99 h GLU 71 Cb 0.51 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2d99 h GLU 71 CO 0.01 1.19 -0.32 0.72 -1.00 0.00 0.00 179.01 179.62 2d99 n HIS 72 N -3.48 0.11 -0.28 4.33 8.25 0.19 -4.03 115.22 120.31 2d99 n HIS 72 Ca -0.29 0.03 0.05 0.00 -0.26 0.00 0.00 57.72 57.24 2d99 n HIS 72 Cb 1.05 -0.42 0.14 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.61 -1.11 0.41 4.64 0.21 1.68 113.55 118.78 2d99 h SER 73 Ca 0.00 0.23 0.32 0.00 -0.47 0.00 0.00 61.79 61.87 2d99 h SER 73 Cb 0.54 0.46 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 2d99 h SER 73 CO 0.00 -0.25 1.04 1.12 -0.87 0.00 0.00 176.83 177.87 2d99 h HIS 74 N 0.03 0.00 0.03 4.77 2.07 -1.81 1.00 115.15 121.24 2d99 h HIS 74 Ca 0.42 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.57 2d99 h HIS 74 Cb 0.70 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.63 2d99 h HIS 74 CO -0.56 0.00 -2.28 0.54 -3.07 0.00 0.00 177.93 172.56 2d99 n ARG 75 N -3.61 0.68 -1.70 5.12 1.74 0.55 -4.92 116.66 114.53 2d99 n ARG 75 Ca 0.24 0.15 -0.59 0.00 -0.77 0.00 0.00 57.85 56.89 2d99 n ARG 75 Cb 1.39 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 31.17 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 -3.17 0.25 -4.19 0.55 5.41 0.35 -4.11 119.36 114.44 2d99 n ILE 76 Ca -0.37 -0.05 -0.19 0.00 1.00 0.00 0.00 62.75 63.14 2d99 n ILE 76 Cb 1.05 -1.11 -0.16 0.00 -0.71 0.00 0.00 39.64 38.71 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 3.66 0.72 0.15 0.38 0.52 0.41 -4.92 118.95 119.87 2d99 s ARG 77 Ca 1.01 -0.14 -0.13 0.00 -0.52 0.00 0.00 55.73 55.94 2d99 s ARG 77 Cb -1.15 -0.72 -0.07 0.00 0.52 0.00 0.00 34.95 33.54 2d99 s ARG 77 CO 0.68 -0.01 0.54 -0.06 0.02 0.00 0.00 175.30 176.47 2d99 s PHE 78 N 0.56 3.59 -0.07 -0.53 0.40 -1.26 -0.32 117.98 120.36 2d99 s PHE 78 Ca -0.07 1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 57.27 2d99 s PHE 78 Cb -0.11 -2.34 0.03 0.00 0.51 0.00 0.00 43.02 41.11 2d99 s PHE 78 CO 0.00 0.42 -0.00 0.15 0.70 0.00 0.00 175.22 176.49 2d99 s LYS 79 N -2.02 0.62 0.08 0.44 -0.14 -0.59 -4.95 119.74 113.17 2d99 s LYS 79 Ca 0.38 0.08 -0.07 0.00 -1.36 0.00 0.00 55.97 55.00 2d99 s LYS 79 Cb -0.15 -0.93 -0.05 0.00 -1.68 0.00 0.00 37.83 35.02 2d99 s LYS 79 CO 0.19 -0.27 0.34 -0.51 -0.76 0.00 0.00 175.35 174.35 2d99 s LEU 80 N 1.79 4.33 0.37 3.17 1.43 -1.26 -0.94 118.68 127.57 2d99 s LEU 80 Ca 0.02 0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 53.52 2d99 s LEU 80 Cb -0.13 -2.98 -0.13 0.00 0.03 0.00 0.00 46.19 42.98 2d99 s LEU 80 CO -0.04 0.16 0.78 2.29 0.23 0.00 0.00 176.35 179.76 2d99 n LYS 81 N 0.70 0.91 -3.70 1.70 2.85 -0.75 -4.96 118.16 114.91 2d99 n LYS 81 Ca -0.07 0.33 -0.14 0.00 -1.05 0.00 0.00 58.31 57.37 2d99 n LYS 81 Cb 0.52 -1.69 -0.09 0.00 -0.65 0.00 0.00 35.03 33.13 2d99 n LYS 81 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2d99 s ARG 82 N -1.65 0.65 -1.22 -1.58 0.52 -1.26 -5.07 118.95 109.34 2d99 s ARG 82 Ca 0.62 0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 56.06 2d99 s ARG 82 Cb -0.64 0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.12 2d99 s ARG 82 CO 0.58 -0.13 1.88 -0.35 0.02 0.00 0.00 175.30 177.31 2d99 n PRO 83 N 2.23 2.37 -2.87 3.54 -0.04 -1.26 -4.42 135.00 134.55 2d99 n PRO 83 Ca -0.16 -2.75 -0.03 0.00 -0.04 0.00 0.00 63.50 60.52 2d99 n PRO 83 Cb 0.57 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 2d99 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d99 n SER 84 N 10.39 -7.64 -3.64 3.54 2.88 -1.26 -5.05 113.62 112.83 2d99 n SER 84 Ca 0.48 1.04 -0.06 0.00 -1.33 0.00 0.00 58.87 59.00 2d99 n SER 84 Cb 0.45 -4.46 -0.07 0.00 -0.75 0.00 0.00 64.21 59.38 2d99 n SER 84 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d99 s SER 85 N -1.64 -0.43 0.00 -3.46 0.15 -1.26 -5.18 113.70 101.88 2d99 s SER 85 Ca 0.05 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2d99 s SER 85 Cb -0.01 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 2d99 s SER 85 CO 0.64 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2d99 n GLY 86 N 2.67 0.92 3.76 9.45 0.00 -1.26 -4.91 105.19 115.83 2d99 n GLY 86 Ca -0.14 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2d99 n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d99 s PRO 87 N 0.12 -0.39 -0.56 1.61 0.04 -1.26 -5.00 135.00 129.57 2d99 s PRO 87 Ca 0.00 -0.29 -0.15 0.00 0.04 0.00 0.00 61.00 60.60 2d99 s PRO 87 Cb 0.00 -1.71 0.14 0.00 0.04 0.00 0.00 34.50 32.96 2d99 s PRO 87 CO 0.00 -3.12 0.51 -1.12 0.04 0.00 0.00 177.00 173.30 2d99 s SER 88 N -4.44 6.18 -0.19 6.66 0.01 -1.26 -5.03 113.70 115.64 2d99 s SER 88 Ca 0.73 -1.88 -0.29 0.00 1.31 0.00 0.00 55.95 55.83 2d99 s SER 88 Cb -0.06 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2d99 s SER 88 CO 0.55 -0.82 1.82 -0.94 0.41 0.00 0.00 173.24 174.25 2d99 s SER 89 N 3.39 6.15 0.00 2.44 1.04 -1.26 -5.34 113.70 120.11 2d99 s SER 89 Ca 0.04 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.29 2d99 s SER 89 Cb -0.28 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.31 2d99 s SER 89 CO 0.02 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.43