#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d99 n SER 2 N 0.00 -1.08 0.00 1.61 7.64 -1.26 -5.08 113.62 115.46 2d99 n SER 2 Ca 0.00 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.25 2d99 n SER 2 Cb 0.00 -5.32 0.00 0.00 -1.01 0.00 0.00 64.21 57.88 2d99 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d99 n SER 3 N 1.61 0.00 -3.73 6.43 7.64 -1.26 -5.18 113.62 119.13 2d99 n SER 3 Ca -0.39 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.36 2d99 n SER 3 Cb 0.60 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 2d99 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d99 s GLY 4 N 0.00 -0.30 0.20 0.23 0.00 -1.26 -5.04 107.32 101.15 2d99 s GLY 4 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.87 2d99 s GLY 4 CO 0.00 1.04 0.00 1.44 0.00 0.00 0.00 173.10 175.58 2d99 n SER 5 N 3.05 0.19 -3.19 1.64 7.64 -1.26 -5.11 113.62 116.59 2d99 n SER 5 Ca -0.14 0.33 0.05 0.00 1.01 0.00 0.00 58.87 60.11 2d99 n SER 5 Cb 0.57 0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.91 2d99 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d99 s SER 6 N -5.17 -0.63 0.00 6.43 0.15 -1.26 -5.15 113.70 108.07 2d99 s SER 6 Ca 0.00 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2d99 s SER 6 Cb 0.00 1.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.87 2d99 s SER 6 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2d99 n GLY 7 N 5.39 1.42 0.41 9.45 0.00 -1.26 -4.98 105.19 115.61 2d99 n GLY 7 Ca -0.06 0.46 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.85 -1.83 0.99 3.38 -1.98 0.56 115.31 115.59 2d99 h LEU 8 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2d99 h LEU 8 Cb 0.00 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2d99 h LEU 8 CO 0.00 -0.48 0.14 -0.09 0.09 0.00 0.00 178.44 178.10 2d99 h ARG 9 N -1.26 0.22 -0.07 1.13 2.43 -1.95 0.14 114.38 115.03 2d99 h ARG 9 Ca -0.10 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.88 2d99 h ARG 9 Cb 0.77 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2d99 h ARG 9 CO 0.17 0.15 -0.69 -0.22 -1.51 0.00 0.00 179.97 177.87 2d99 h LYS 10 N 0.23 0.33 0.57 0.20 1.63 -1.91 -1.21 116.57 116.41 2d99 h LYS 10 Ca 0.08 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 2d99 h LYS 10 Cb 0.05 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2d99 h LYS 10 CO -0.02 0.89 -0.27 0.52 -3.45 0.00 0.00 179.45 177.12 2d99 h MET 11 N 0.23 -0.73 -0.58 1.90 2.86 0.21 -3.00 114.93 115.81 2d99 h MET 11 Ca -0.02 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2d99 h MET 11 Cb 1.24 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 33.04 2d99 h MET 11 CO 0.11 -0.43 0.34 -0.24 1.06 0.00 0.00 176.91 177.76 2d99 h VAL 12 N -0.99 1.17 -0.77 -2.22 3.04 -1.36 -2.23 116.25 112.89 2d99 h VAL 12 Ca -0.08 -0.38 0.17 0.00 -1.01 0.00 0.00 66.70 65.40 2d99 h VAL 12 Cb 0.65 0.36 -0.14 0.00 -2.01 0.00 0.00 31.29 30.15 2d99 h VAL 12 CO 0.13 0.18 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.45 2d99 h GLU 13 N 0.80 0.05 -0.22 4.17 4.39 -1.09 0.22 114.58 122.90 2d99 h GLU 13 Ca 0.21 -0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 2d99 h GLU 13 Cb -0.02 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2d99 h GLU 13 CO -0.04 0.03 -0.55 1.05 -1.16 0.00 0.00 179.01 178.35 2d99 h GLU 14 N 0.05 0.75 -0.08 2.33 4.11 -1.30 -2.89 114.58 117.55 2d99 h GLU 14 Ca 0.40 -0.52 0.01 0.00 0.07 0.00 0.00 59.36 59.32 2d99 h GLU 14 Cb 0.67 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2d99 h GLU 14 CO -0.73 1.14 -0.15 0.28 0.07 0.00 0.00 179.01 179.62 2d99 h VAL 15 N 0.48 0.00 -0.99 -1.06 2.07 -0.15 1.67 116.25 118.28 2d99 h VAL 15 Ca -0.01 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.75 2d99 h VAL 15 Cb 1.16 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 2d99 h VAL 15 CO 0.12 0.00 0.65 -0.26 0.02 0.00 0.00 177.57 178.09 2d99 h PHE 16 N -0.13 0.59 0.52 1.57 0.04 -1.13 0.13 116.94 118.53 2d99 h PHE 16 Ca 0.02 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2d99 h PHE 16 Cb 0.17 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 38.15 2d99 h PHE 16 CO -0.58 0.10 -0.25 -0.44 -0.60 0.00 0.00 178.31 176.55 2d99 h ASP 17 N 0.39 -0.59 0.02 2.17 5.19 -0.56 -1.45 116.42 121.60 2d99 h ASP 17 Ca 0.54 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.90 2d99 h ASP 17 Cb 1.37 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 41.01 2d99 h ASP 17 CO -0.23 -0.20 -0.25 0.58 -3.12 0.00 0.00 179.24 176.02 2d99 h VAL 18 N -1.06 0.00 -0.97 -1.35 2.07 0.36 0.37 116.25 115.68 2d99 h VAL 18 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 2d99 h VAL 18 Cb 0.61 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 2d99 h VAL 18 CO 0.12 0.00 -0.58 -0.07 0.02 0.00 0.00 177.57 177.06 2d99 h LEU 19 N -0.33 -2.12 -0.47 2.57 3.38 -0.89 1.02 115.31 118.47 2d99 h LEU 19 Ca 0.00 0.32 0.10 0.00 0.09 0.00 0.00 57.88 58.39 2d99 h LEU 19 Cb 0.35 0.94 -0.10 0.00 0.09 0.00 0.00 40.66 41.94 2d99 h LEU 19 CO -0.16 -0.24 -0.23 0.22 0.09 0.00 0.00 178.44 178.12 2d99 h TYR 20 N -0.02 -0.58 -0.69 1.13 3.20 -0.72 0.42 116.97 119.72 2d99 h TYR 20 Ca 0.16 0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.11 2d99 h TYR 20 Cb 0.43 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 2d99 h TYR 20 CO -1.00 -0.31 0.45 1.03 -1.64 0.00 0.00 178.16 176.69 2d99 h SER 21 N -0.12 0.73 -0.43 -2.11 0.87 0.36 0.57 113.55 113.41 2d99 h SER 21 Ca 0.22 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2d99 h SER 21 Cb 0.47 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2d99 h SER 21 CO -0.55 0.51 0.05 -0.33 -0.53 0.00 0.00 176.83 175.98 2d99 h GLU 22 N 0.85 0.74 0.00 2.24 4.39 0.44 0.11 114.58 123.34 2d99 h GLU 22 Ca 0.27 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 2d99 h GLU 22 Cb 0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2d99 h GLU 22 CO -0.07 0.78 -0.58 0.00 -1.16 0.00 0.00 179.01 177.99 2d99 h ALA 23 N 0.93 0.97 0.00 3.43 0.00 0.56 -2.53 119.26 122.61 2d99 h ALA 23 Ca 0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2d99 h ALA 23 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2d99 h ALA 23 CO 0.01 0.72 -0.25 -0.07 0.00 0.00 0.00 179.25 179.67 2d99 h LEU 24 N 0.00 0.00 0.18 0.00 3.38 0.50 -3.43 115.31 115.94 2d99 h LEU 24 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 2d99 h LEU 24 Cb 1.07 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.87 2d99 h LEU 24 CO 0.07 0.25 -0.39 0.61 0.09 0.00 0.00 178.44 179.07 2d99 n GLY 25 N 0.56 -0.06 3.98 0.83 0.00 0.33 -5.02 105.19 105.81 2d99 n GLY 25 Ca 0.01 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.37 1.33 -0.24 1.61 1.81 -0.95 -5.05 118.95 112.09 2d99 s ARG 26 Ca 0.22 -1.01 -0.14 0.00 -1.72 0.00 0.00 55.73 53.08 2d99 s ARG 26 Cb -0.10 -2.21 -0.17 0.00 -0.45 0.00 0.00 34.95 32.03 2d99 s ARG 26 CO 0.28 -1.76 -0.07 0.00 -0.68 0.00 0.00 175.30 173.08 2d99 n ALA 27 N -3.10 1.04 -2.58 2.13 0.00 -1.26 -4.91 120.51 111.82 2d99 n ALA 27 Ca 0.16 -0.83 -0.22 0.00 0.00 0.00 0.00 53.44 52.55 2d99 n ALA 27 Cb 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 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 -7.12 6.10 -0.35 0.00 0.01 -1.26 -5.05 113.70 106.03 2d99 s SER 28 Ca -0.33 0.20 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 2d99 s SER 28 Cb 0.10 -1.69 0.01 0.00 0.21 0.00 0.00 66.02 64.65 2d99 s SER 28 CO 0.57 -0.40 0.89 -0.69 0.41 0.00 0.00 173.24 174.02 2d99 s VAL 29 N -2.29 4.64 0.17 3.43 1.01 -1.26 -4.93 120.40 121.17 2d99 s VAL 29 Ca 0.42 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.61 2d99 s VAL 29 Cb -0.10 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2d99 s VAL 29 CO 0.34 -0.46 0.31 0.68 0.00 0.00 0.00 175.10 175.97 2d99 s VAL 30 N 3.33 5.30 0.97 2.92 -7.23 -1.26 -4.51 120.40 119.91 2d99 s VAL 30 Ca 0.37 -0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 59.71 2d99 s VAL 30 Cb -0.13 -3.76 0.17 0.00 0.56 0.00 0.00 36.38 33.22 2d99 s VAL 30 CO 0.17 -0.15 1.16 -2.16 -0.31 0.00 0.00 175.10 173.82 2d99 s PRO 31 N -3.37 0.69 -0.38 4.82 0.04 -1.26 -4.61 135.00 130.92 2d99 s PRO 31 Ca 0.35 0.13 -0.01 0.00 0.04 0.00 0.00 61.00 61.51 2d99 s PRO 31 Cb -0.11 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.74 2d99 s PRO 31 CO 0.29 -2.47 0.15 -1.17 0.04 0.00 0.00 177.00 173.83 2d99 s LEU 32 N -6.16 5.07 -1.14 -3.56 2.96 -1.26 -4.96 118.68 109.63 2d99 s LEU 32 Ca 0.66 -2.05 -0.19 0.00 -0.22 0.00 0.00 54.13 52.33 2d99 s LEU 32 Cb -0.12 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2d99 s LEU 32 CO 0.54 -0.48 2.00 -0.81 -1.32 0.00 0.00 176.35 176.28 2d99 n PRO 33 N 4.49 2.21 -0.13 0.98 -0.04 -1.26 -4.76 135.00 136.49 2d99 n PRO 33 Ca -0.01 -2.39 -0.09 0.00 -0.04 0.00 0.00 63.50 60.98 2d99 n PRO 33 Cb 0.42 -3.24 -0.03 0.00 -0.04 0.00 0.00 33.50 30.61 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 7.45 -1.09 -1.64 0.54 0.05 -1.96 0.42 116.97 120.73 2d99 h TYR 34 Ca 0.45 0.06 0.49 0.00 0.05 0.00 0.00 58.73 59.79 2d99 h TYR 34 Cb 0.72 0.54 -0.08 0.00 1.01 0.00 0.00 36.73 38.92 2d99 h TYR 34 CO 1.34 -0.42 1.16 -0.85 -1.05 0.00 0.00 178.16 178.34 2d99 n GLU 35 N -5.42 -0.01 -0.02 4.88 0.28 -1.26 0.19 120.64 119.29 2d99 n GLU 35 Ca 0.00 1.01 -0.01 0.00 -0.16 0.00 0.00 57.16 58.00 2d99 n GLU 35 Cb 0.35 -2.23 -0.00 0.00 1.43 0.00 0.00 31.44 30.98 2d99 n GLU 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2d99 n ARG 36 N -3.91 0.11 -0.44 3.44 5.12 0.12 -3.66 116.66 117.45 2d99 n ARG 36 Ca 0.39 0.26 0.37 0.00 -1.93 0.00 0.00 57.85 56.94 2d99 n ARG 36 Cb 1.71 -0.93 0.65 0.00 -1.16 0.00 0.00 32.46 32.73 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 -0.25 0.24 0.10 0.55 3.38 0.31 1.29 115.31 120.95 2d99 h LEU 37 Ca 0.00 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2d99 h LEU 37 Cb 0.15 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2d99 h LEU 37 CO 0.00 -0.18 -0.05 -0.07 0.09 0.00 0.00 178.44 178.23 2d99 h LEU 38 N 0.09 -0.12 -0.89 1.67 3.38 0.20 -2.75 115.31 116.89 2d99 h LEU 38 Ca 0.82 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.92 2d99 h LEU 38 Cb 2.58 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 43.19 2d99 h LEU 38 CO -0.42 -0.02 -0.19 -0.09 0.09 0.00 0.00 178.44 177.81 2d99 h ARG 39 N -0.20 0.01 -4.74 1.13 9.65 0.16 -3.27 114.38 117.11 2d99 h ARG 39 Ca -0.01 -0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.20 2d99 h ARG 39 Cb 0.16 -0.00 -0.38 0.00 -1.39 0.00 0.00 29.97 28.36 2d99 h ARG 39 CO 0.02 0.00 -0.73 -1.83 2.80 0.00 0.00 179.97 180.24 2d99 s GLU 40 N -6.23 1.87 0.48 0.20 -1.05 -1.04 -4.95 118.70 107.99 2d99 s GLU 40 Ca -0.15 -1.64 0.28 0.00 -0.15 0.00 0.00 54.97 53.32 2d99 s GLU 40 Cb 0.25 -3.13 0.87 0.00 -0.44 0.00 0.00 34.13 31.68 2d99 s GLU 40 CO 0.77 -0.79 1.80 -1.00 0.95 0.00 0.00 175.26 176.98 2d99 h PRO 41 N 7.74 0.00 0.00 -4.83 0.13 -1.61 -2.92 132.00 130.51 2d99 h PRO 41 Ca -0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 2d99 h PRO 41 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2d99 h PRO 41 CO 0.52 0.00 -0.43 0.78 -0.23 0.00 0.00 178.00 178.64 2d99 h GLY 42 N 3.03 0.00 1.00 1.56 0.00 -1.92 -3.08 103.07 103.67 2d99 h GLY 42 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2d99 h GLY 42 CO 0.00 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.48 2d99 h LEU 43 N 0.00 0.83 -6.30 3.11 5.85 -1.83 -3.36 115.31 113.61 2d99 h LEU 43 Ca -0.00 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 2d99 h LEU 43 Cb 1.19 -0.23 -0.26 0.00 0.37 0.00 0.00 40.66 41.74 2d99 h LEU 43 CO 0.06 0.97 -0.38 -0.22 -0.34 0.00 0.00 178.44 178.53 2d99 s LEU 44 N -9.31 -0.97 -0.11 2.25 2.96 -1.20 -1.34 118.68 110.95 2d99 s LEU 44 Ca -0.12 0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 54.25 2d99 s LEU 44 Cb 0.11 1.60 -0.05 0.00 0.50 0.00 0.00 46.19 48.35 2d99 s LEU 44 CO 0.82 -0.28 0.21 0.00 -1.32 0.00 0.00 176.35 175.79 2d99 s ALA 45 N 2.69 3.78 -0.34 5.97 0.00 0.12 -4.72 121.76 129.25 2d99 s ALA 45 Ca 0.15 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 2d99 s ALA 45 Cb -0.15 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2d99 s ALA 45 CO -0.18 0.47 0.24 0.08 0.00 0.00 0.00 175.76 176.38 2d99 s VAL 46 N -0.70 5.23 0.34 0.00 1.01 -1.26 -0.18 120.40 124.84 2d99 s VAL 46 Ca 0.16 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.95 2d99 s VAL 46 Cb -0.13 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2d99 s VAL 46 CO 0.05 -0.03 0.08 -1.10 0.00 0.00 0.00 175.10 174.10 2d99 s GLN 47 N 1.71 2.24 -0.92 2.72 -1.52 0.80 -4.65 119.66 120.04 2d99 s GLN 47 Ca 0.06 -1.63 0.00 0.00 -1.95 0.00 0.00 55.36 51.84 2d99 s GLN 47 Cb -0.18 -2.06 0.00 0.00 -0.22 0.00 0.00 33.01 30.55 2d99 s GLN 47 CO 0.10 0.13 0.00 0.41 -0.25 0.00 0.00 175.29 175.68 2d99 n GLY 48 N -1.05 -0.04 3.81 3.09 0.00 -1.26 0.18 105.19 109.93 2d99 n GLY 48 Ca -0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.06 2.61 -0.62 0.99 1.43 -1.26 0.17 118.68 118.94 2d99 s LEU 49 Ca 0.00 1.27 -0.27 0.00 -1.03 0.00 0.00 54.13 54.10 2d99 s LEU 49 Cb 0.00 -3.89 0.01 0.00 0.03 0.00 0.00 46.19 42.34 2d99 s LEU 49 CO 0.00 -1.92 1.54 -2.16 0.23 0.00 0.00 176.35 174.04 2d99 s PRO 50 N -5.19 3.05 0.23 1.29 0.04 -1.26 -4.89 135.00 128.28 2d99 s PRO 50 Ca 0.61 0.36 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 2d99 s PRO 50 Cb -0.14 -4.23 -0.09 0.00 0.04 0.00 0.00 34.50 30.08 2d99 s PRO 50 CO 0.54 -2.25 0.07 0.39 0.04 0.00 0.00 177.00 175.79 2d99 n GLU 51 N 9.02 0.00 -2.78 4.56 -0.58 -1.26 -2.96 120.64 126.63 2d99 n GLU 51 Ca 0.13 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 0.31 0.00 0.62 0.00 -1.26 -5.02 105.19 101.22 2d99 n GLY 52 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.17 0.00 -3.70 0.99 4.77 -1.15 -5.08 117.00 110.64 2d99 n LEU 53 Ca -0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 2d99 n LEU 53 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2d99 n LEU 53 CO 0.24 0.00 0.16 0.00 -1.33 0.00 0.00 177.39 176.46 2d99 s ALA 54 N -1.21 -1.18 -0.22 -1.18 0.00 -1.26 -5.04 121.76 111.67 2d99 s ALA 54 Ca 0.00 1.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.91 2d99 s ALA 54 Cb 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 2d99 s ALA 54 CO 0.00 -0.24 2.14 0.12 0.00 0.00 0.00 175.76 177.78 2d99 s PHE 55 N -0.02 1.27 0.16 0.00 5.36 -1.26 -4.90 117.98 118.59 2d99 s PHE 55 Ca -0.02 0.50 -0.24 0.00 -0.96 0.00 0.00 56.93 56.21 2d99 s PHE 55 Cb -0.03 -3.97 0.06 0.00 -0.34 0.00 0.00 43.02 38.74 2d99 s PHE 55 CO 0.02 -3.99 0.83 -0.98 -1.46 0.00 0.00 175.22 169.64 2d99 s ARG 56 N 6.14 1.28 0.58 10.12 1.70 -1.26 -5.06 118.95 132.46 2d99 s ARG 56 Ca 0.97 -0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 55.41 2d99 s ARG 56 Cb -0.32 0.48 -0.14 0.00 -0.57 0.00 0.00 34.95 34.40 2d99 s ARG 56 CO 0.35 -0.58 -0.14 0.54 -1.08 0.00 0.00 175.30 174.39 2d99 n ARG 57 N -0.41 0.05 0.24 3.89 1.74 -1.26 -4.78 116.66 116.12 2d99 n ARG 57 Ca -0.08 0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.16 2d99 n ARG 57 Cb 0.61 -1.08 0.41 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.13 0.00 0.00 5.56 0.13 -1.96 -2.67 132.00 132.93 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 1.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 2d99 h PRO 58 CO 0.40 0.06 -0.39 0.00 -0.23 0.00 0.00 178.00 177.84 2d99 h ALA 59 N 1.94 0.81 0.00 -0.56 0.00 -1.88 -3.18 119.26 116.39 2d99 h ALA 59 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d99 h ALA 59 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2d99 h ALA 59 CO 0.01 0.02 -0.60 0.93 0.00 0.00 0.00 179.25 179.61 2d99 h GLU 60 N 0.00 0.00 -7.41 0.00 4.39 -1.81 -3.47 114.58 106.28 2d99 h GLU 60 Ca -0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.22 2d99 h GLU 60 Cb 1.01 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.79 2d99 h GLU 60 CO 0.00 0.00 0.29 0.71 -1.16 0.00 0.00 179.01 178.85 2d99 s TYR 61 N -3.26 2.54 0.77 4.33 2.02 -1.07 -5.01 117.35 117.68 2d99 s TYR 61 Ca 0.04 1.07 -0.09 0.00 -0.37 0.00 0.00 57.07 57.71 2d99 s TYR 61 Cb 0.10 -3.22 0.17 0.00 -0.40 0.00 0.00 41.96 38.60 2d99 s TYR 61 CO 0.73 -2.22 1.05 -0.25 -1.57 0.00 0.00 175.55 173.29 2d99 n ASP 62 N -3.72 0.48 -0.04 2.29 9.92 -1.26 -4.92 116.55 119.31 2d99 n ASP 62 Ca 0.07 -1.62 -0.13 0.00 -0.53 0.00 0.00 54.79 52.57 2d99 n ASP 62 Cb 0.57 -0.77 -0.11 0.00 -0.64 0.00 0.00 41.12 40.17 2d99 n ASP 62 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2d99 h PRO 63 N 0.00 -0.01 0.00 -0.24 0.13 -1.97 -2.67 132.00 127.23 2d99 h PRO 63 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2d99 h PRO 63 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2d99 h PRO 63 CO 0.28 0.71 -0.10 0.87 -0.23 0.00 0.00 178.00 179.53 2d99 h LYS 64 N -0.77 0.00 0.57 0.86 6.56 -1.99 -2.97 116.57 118.84 2d99 h LYS 64 Ca -0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2d99 h LYS 64 Cb 0.73 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.39 2d99 h LYS 64 CO 0.00 0.10 -0.27 0.00 -2.06 0.00 0.00 179.45 177.21 2d99 h ALA 65 N 1.90 -0.77 -0.97 3.86 0.00 -1.93 -0.39 119.26 120.97 2d99 h ALA 65 Ca -0.00 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 54.99 2d99 h ALA 65 Cb 0.48 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 18.44 2d99 h ALA 65 CO 0.01 -0.75 0.50 -0.07 0.00 0.00 0.00 179.25 178.95 2d99 h LEU 66 N -1.13 0.47 -0.85 0.00 3.38 -1.36 1.16 115.31 116.98 2d99 h LEU 66 Ca -0.08 0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2d99 h LEU 66 Cb 0.63 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2d99 h LEU 66 CO 0.13 -0.04 -0.27 0.24 0.09 0.00 0.00 178.44 178.59 2d99 h MET 67 N 0.41 0.54 0.00 1.13 2.86 -1.41 -1.20 114.93 117.26 2d99 h MET 67 Ca 0.65 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 2d99 h MET 67 Cb 1.35 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2d99 h MET 67 CO -0.56 0.76 0.00 0.00 1.06 0.00 0.00 176.91 178.18 2d99 h ALA 68 N 1.23 1.00 0.14 6.32 0.00 0.28 -2.39 119.26 125.85 2d99 h ALA 68 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 2d99 h ALA 68 Cb 0.72 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.53 2d99 h ALA 68 CO 0.06 0.00 -0.91 0.82 0.00 0.00 0.00 179.25 179.22 2d99 h ILE 69 N 0.00 1.46 0.00 0.00 2.04 0.71 0.25 117.51 121.97 2d99 h ILE 69 Ca 0.00 -2.51 -0.03 0.00 1.00 0.00 0.00 64.86 63.32 2d99 h ILE 69 Cb 0.77 3.09 -0.00 0.00 -0.74 0.00 0.00 36.82 39.94 2d99 h ILE 69 CO 0.00 0.72 -0.15 -0.07 0.00 0.00 0.00 178.15 178.65 2d99 h LEU 70 N -0.24 0.00 0.12 1.44 3.38 -1.18 1.53 115.31 120.36 2d99 h LEU 70 Ca -0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.50 2d99 h LEU 70 Cb 1.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2d99 h LEU 70 CO 0.17 0.15 -1.69 -0.33 0.09 0.00 0.00 178.44 176.84 2d99 h GLU 71 N 0.00 0.25 0.00 1.13 5.08 -1.43 -3.33 114.58 116.27 2d99 h GLU 71 Ca -0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2d99 h GLU 71 Cb 0.50 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2d99 h GLU 71 CO 0.02 1.20 -0.12 0.72 -1.00 0.00 0.00 179.01 179.83 2d99 n HIS 72 N -3.76 0.16 -0.31 4.33 8.25 0.87 -3.81 115.22 120.95 2d99 n HIS 72 Ca -0.29 0.05 0.15 0.00 -0.26 0.00 0.00 57.72 57.37 2d99 n HIS 72 Cb 0.96 -0.52 0.33 0.00 1.12 0.00 0.00 29.99 31.88 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 0.12 -0.52 0.41 4.64 0.21 1.76 113.55 120.17 2d99 h SER 73 Ca 0.00 0.19 0.15 0.00 -0.47 0.00 0.00 61.79 61.66 2d99 h SER 73 Cb 0.54 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 2d99 h SER 73 CO 0.00 -0.15 0.72 1.12 -0.87 0.00 0.00 176.83 177.65 2d99 h HIS 74 N 0.24 0.00 0.00 4.77 2.07 -1.81 0.25 115.15 120.67 2d99 h HIS 74 Ca 0.59 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.78 2d99 h HIS 74 Cb 1.23 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.15 2d99 h HIS 74 CO -0.21 0.00 -2.28 0.54 -3.07 0.00 0.00 177.93 172.91 2d99 n ARG 75 N -3.35 0.71 -1.68 5.12 1.74 0.58 -4.95 116.66 114.82 2d99 n ARG 75 Ca 0.10 0.10 -0.62 0.00 -0.77 0.00 0.00 57.85 56.66 2d99 n ARG 75 Cb 0.90 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.80 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 -3.04 0.15 -3.79 0.55 5.41 0.13 -4.19 119.36 114.57 2d99 n ILE 76 Ca -0.37 -0.04 -0.15 0.00 1.00 0.00 0.00 62.75 63.19 2d99 n ILE 76 Cb 0.97 -0.88 -0.16 0.00 -0.71 0.00 0.00 39.64 38.86 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 -0.02 0.31 0.38 1.81 0.48 -4.92 118.95 120.65 2d99 s ARG 77 Ca 1.04 0.16 -0.17 0.00 -1.72 0.00 0.00 55.73 55.04 2d99 s ARG 77 Cb -1.28 -0.23 -0.09 0.00 -0.45 0.00 0.00 34.95 32.90 2d99 s ARG 77 CO 0.72 -0.14 0.76 -0.06 -0.68 0.00 0.00 175.30 175.90 2d99 s PHE 78 N 0.93 3.43 -0.13 -0.53 0.40 -1.26 -0.14 117.98 120.67 2d99 s PHE 78 Ca -0.08 1.30 -0.01 0.00 -0.60 0.00 0.00 56.93 57.54 2d99 s PHE 78 Cb -0.11 -2.59 0.04 0.00 0.51 0.00 0.00 43.02 40.86 2d99 s PHE 78 CO -0.03 0.12 -0.01 0.15 0.70 0.00 0.00 175.22 176.16 2d99 s LYS 79 N -2.78 0.88 0.31 0.44 -0.14 0.75 -4.90 119.74 114.31 2d99 s LYS 79 Ca 0.53 -0.20 -0.05 0.00 -1.36 0.00 0.00 55.97 54.88 2d99 s LYS 79 Cb -0.12 -1.57 -0.05 0.00 -1.68 0.00 0.00 37.83 34.42 2d99 s LYS 79 CO 0.18 -0.42 0.58 -0.51 -0.76 0.00 0.00 175.35 174.42 2d99 s LEU 80 N 1.85 4.01 0.59 3.17 1.43 -1.26 0.11 118.68 128.58 2d99 s LEU 80 Ca 0.03 0.73 0.29 0.00 -1.03 0.00 0.00 54.13 54.15 2d99 s LEU 80 Cb -0.14 -3.57 1.62 0.00 0.03 0.00 0.00 46.19 44.13 2d99 s LEU 80 CO -0.07 -0.24 2.03 0.07 0.23 0.00 0.00 176.35 178.38 2d99 h LYS 81 N 1.49 0.00 -5.38 1.70 2.10 -1.37 -3.38 116.57 111.72 2d99 h LYS 81 Ca -0.48 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.54 2d99 h LYS 81 Cb 1.19 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.33 2d99 h LYS 81 CO 0.65 0.00 -0.63 0.50 -2.00 0.00 0.00 179.45 177.97 2d99 s ARG 82 N -4.59 3.67 -0.72 0.07 3.52 -1.26 -5.05 118.95 114.59 2d99 s ARG 82 Ca -0.04 -0.46 -0.26 0.00 -0.13 0.00 0.00 55.73 54.83 2d99 s ARG 82 Cb 0.15 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 2d99 s ARG 82 CO 0.53 0.31 1.59 -1.25 -0.81 0.00 0.00 175.30 175.67 2d99 s PRO 83 N 0.20 2.94 -0.30 5.12 0.04 -1.26 -4.87 135.00 136.87 2d99 s PRO 83 Ca -0.00 0.04 -0.07 0.00 0.04 0.00 0.00 61.00 61.01 2d99 s PRO 83 Cb -0.13 -4.43 0.18 0.00 0.04 0.00 0.00 34.50 30.16 2d99 s PRO 83 CO 0.02 -2.49 0.80 0.45 0.04 0.00 0.00 177.00 175.82 2d99 s SER 84 N 5.98 -0.98 -0.12 6.66 0.15 -1.26 -5.16 113.70 118.96 2d99 s SER 84 Ca 0.52 0.65 -0.27 0.00 0.70 0.00 0.00 55.95 57.55 2d99 s SER 84 Cb -0.09 1.84 0.07 0.00 -1.71 0.00 0.00 66.02 66.12 2d99 s SER 84 CO 0.14 -0.18 0.65 -0.55 1.20 0.00 0.00 173.24 174.50 2d99 s SER 85 N 2.89 -0.65 0.21 5.45 0.15 -1.26 -4.79 113.70 115.70 2d99 s SER 85 Ca 0.11 0.92 0.11 0.00 0.70 0.00 0.00 55.95 57.78 2d99 s SER 85 Cb -0.13 0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 64.98 2d99 s SER 85 CO -0.17 -0.46 -0.21 -0.83 1.20 0.00 0.00 173.24 172.77 2d99 s GLY 86 N -0.62 1.66 0.77 9.45 0.00 -1.26 -5.14 107.32 112.18 2d99 s GLY 86 Ca -0.07 -1.66 -0.11 0.00 0.00 0.00 0.00 44.72 42.87 2d99 s GLY 86 CO 0.06 -1.71 1.09 2.56 0.00 0.00 0.00 173.10 175.10 2d99 s PRO 87 N -2.94 2.33 0.18 2.90 0.04 -1.26 -4.93 135.00 131.31 2d99 s PRO 87 Ca 0.22 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2d99 s PRO 87 Cb -0.06 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2d99 s PRO 87 CO 0.10 -1.47 0.00 0.45 0.04 0.00 0.00 177.00 176.12 2d99 n SER 88 N -3.35 -1.63 -2.65 6.66 2.88 -1.26 -5.13 113.62 109.15 2d99 n SER 88 Ca 0.07 0.49 -0.03 0.00 -1.33 0.00 0.00 58.87 58.07 2d99 n SER 88 Cb 0.55 1.74 -0.03 0.00 -0.75 0.00 0.00 64.21 65.73 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 -2.85 -3.52 0.00 -3.46 7.64 -1.26 -5.33 113.62 104.84 2d99 n SER 89 Ca 0.00 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2d99 n SER 89 Cb 0.00 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64