#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 1.77 -0.30 1.61 0.01 -1.26 -5.14 113.70 110.39 2d99 s SER 2 Ca 0.00 -1.06 -0.06 0.00 1.31 0.00 0.00 55.95 56.14 2d99 s SER 2 Cb 0.00 -0.00 0.18 0.00 0.21 0.00 0.00 66.02 66.41 2d99 s SER 2 CO 0.00 -0.38 0.77 -0.94 0.41 0.00 0.00 173.24 173.10 2d99 s SER 3 N -3.20 -1.03 0.34 2.44 1.04 -1.26 -5.14 113.70 106.89 2d99 s SER 3 Ca 0.19 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2d99 s SER 3 Cb 0.03 1.89 0.00 0.00 0.10 0.00 0.00 66.02 68.04 2d99 s SER 3 CO 0.02 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2d99 n GLY 4 N 5.43 -1.83 2.69 7.32 0.00 -1.26 -4.95 105.19 112.59 2d99 n GLY 4 Ca -0.04 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 2d99 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d99 n SER 5 N -4.31 -1.96 -2.36 1.61 2.88 -1.26 -5.08 113.62 103.14 2d99 n SER 5 Ca -0.02 -1.57 -0.03 0.00 -1.33 0.00 0.00 58.87 55.92 2d99 n SER 5 Cb 0.64 1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 65.08 2d99 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d99 n SER 6 N 2.53 -3.62 -3.64 -3.46 7.64 -1.26 -5.08 113.62 106.73 2d99 n SER 6 Ca 0.12 1.37 -0.06 0.00 1.01 0.00 0.00 58.87 61.31 2d99 n SER 6 Cb 0.63 -4.77 -0.07 0.00 -1.01 0.00 0.00 64.21 58.99 2d99 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d99 s GLY 7 N -0.57 -0.37 0.13 0.23 0.00 -1.26 -4.99 107.32 100.49 2d99 s GLY 7 Ca -0.16 2.68 -0.26 0.00 0.00 0.00 0.00 44.72 46.97 2d99 s GLY 7 CO 0.44 2.41 1.61 1.41 0.00 0.00 0.00 173.10 178.96 2d99 h LEU 8 N 6.39 -1.02 -0.57 0.66 3.38 -1.98 1.51 115.31 123.67 2d99 h LEU 8 Ca -0.29 0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 2d99 h LEU 8 Cb 1.21 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 2d99 h LEU 8 CO 0.16 -0.37 -0.35 -0.09 0.09 0.00 0.00 178.44 177.89 2d99 h ARG 9 N -0.42 0.76 0.00 1.13 2.43 -1.95 -2.20 114.38 114.13 2d99 h ARG 9 Ca 0.09 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2d99 h ARG 9 Cb 0.56 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2d99 h ARG 9 CO -0.34 0.99 -0.00 -0.22 -1.51 0.00 0.00 179.97 178.88 2d99 h LYS 10 N 0.63 0.00 0.07 0.20 1.63 -1.67 0.90 116.57 118.33 2d99 h LYS 10 Ca 0.06 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.62 2d99 h LYS 10 Cb 0.89 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 2d99 h LYS 10 CO 0.08 0.00 -1.15 0.52 -3.45 0.00 0.00 179.45 175.45 2d99 h MET 11 N 0.00 0.14 0.00 1.90 2.86 0.27 -3.29 114.93 116.82 2d99 h MET 11 Ca -0.00 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 2d99 h MET 11 Cb 0.32 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2d99 h MET 11 CO 0.00 1.11 -1.41 1.55 1.06 0.00 0.00 176.91 179.22 2d99 n VAL 12 N -3.44 0.58 0.08 -2.22 3.14 -0.70 -3.56 118.33 112.21 2d99 n VAL 12 Ca -0.05 -0.57 0.17 0.00 -2.96 0.00 0.00 64.34 60.93 2d99 n VAL 12 Cb 0.99 -0.32 0.70 0.00 -1.06 0.00 0.00 33.84 34.15 2d99 n VAL 12 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2d99 h GLU 13 N 0.00 0.00 0.06 1.45 4.39 0.74 -1.47 114.58 119.76 2d99 h GLU 13 Ca -0.05 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.29 2d99 h GLU 13 Cb 1.15 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.76 2d99 h GLU 13 CO 0.01 0.00 -2.07 -0.85 -1.16 0.00 0.00 179.01 174.94 2d99 n GLU 14 N -4.33 0.71 0.00 2.33 0.28 -1.25 -3.94 120.64 114.43 2d99 n GLU 14 Ca 0.06 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 2d99 n GLU 14 Cb 0.46 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.65 2d99 n GLU 14 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2d99 n VAL 15 N -3.29 0.00 -0.33 3.84 0.31 -0.60 0.20 118.33 118.46 2d99 n VAL 15 Ca -0.32 1.35 0.24 0.00 -0.01 0.00 0.00 64.34 65.60 2d99 n VAL 15 Cb 1.05 -2.05 0.47 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.83 0.18 3.52 0.04 -1.66 0.54 116.94 120.39 2d99 h PHE 16 Ca 0.00 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 2d99 h PHE 16 Cb 0.00 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 37.95 2d99 h PHE 16 CO -0.31 -0.24 -0.09 -0.44 -0.60 0.00 0.00 178.31 176.63 2d99 h ASP 17 N 0.24 -0.20 0.48 2.17 5.19 -1.33 0.70 116.42 123.67 2d99 h ASP 17 Ca 0.74 -0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.98 2d99 h ASP 17 Cb 1.72 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.27 2d99 h ASP 17 CO -0.65 0.03 -0.38 0.58 -3.12 0.00 0.00 179.24 175.69 2d99 h VAL 18 N -0.44 0.00 -0.73 -1.35 2.07 0.69 0.33 116.25 116.83 2d99 h VAL 18 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 2d99 h VAL 18 Cb 0.34 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.97 2d99 h VAL 18 CO 0.04 0.00 -0.29 -0.07 0.02 0.00 0.00 177.57 177.27 2d99 h LEU 19 N -0.84 -1.04 -0.11 2.57 3.38 -0.36 0.99 115.31 119.89 2d99 h LEU 19 Ca -0.06 0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2d99 h LEU 19 Cb 0.70 0.57 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2d99 h LEU 19 CO 0.01 -0.28 -0.19 0.22 0.09 0.00 0.00 178.44 178.28 2d99 h TYR 20 N -0.08 -0.50 -0.43 1.13 3.20 -0.49 0.13 116.97 119.93 2d99 h TYR 20 Ca 0.30 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2d99 h TYR 20 Cb 0.57 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 2d99 h TYR 20 CO -0.67 -0.27 0.27 1.03 -1.64 0.00 0.00 178.16 176.88 2d99 h SER 21 N -0.26 0.50 -0.28 -2.11 0.87 0.23 0.29 113.55 112.79 2d99 h SER 21 Ca 0.09 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2d99 h SER 21 Cb 0.39 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2d99 h SER 21 CO -0.26 0.37 0.09 -0.33 -0.53 0.00 0.00 176.83 176.18 2d99 h GLU 22 N 0.59 0.43 0.00 2.24 4.39 0.24 0.49 114.58 122.96 2d99 h GLU 22 Ca 0.16 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2d99 h GLU 22 Cb -0.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2d99 h GLU 22 CO -0.03 0.49 -0.48 0.00 -1.16 0.00 0.00 179.01 177.83 2d99 h ALA 23 N 0.92 1.07 0.00 3.43 0.00 -0.08 -2.37 119.26 122.23 2d99 h ALA 23 Ca 0.09 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2d99 h ALA 23 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2d99 h ALA 23 CO -0.00 0.60 -0.35 -0.07 0.00 0.00 0.00 179.25 179.43 2d99 h LEU 24 N 0.00 0.00 -1.24 0.00 3.38 0.02 -3.37 115.31 114.10 2d99 h LEU 24 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2d99 h LEU 24 Cb 0.93 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.76 2d99 h LEU 24 CO 0.06 0.35 -0.42 0.61 0.09 0.00 0.00 178.44 179.12 2d99 n GLY 25 N 0.87 0.03 4.00 0.83 0.00 0.17 -5.03 105.19 106.05 2d99 n GLY 25 Ca 0.02 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.42 2.52 -0.20 1.61 1.81 -0.77 -5.05 118.95 113.45 2d99 s ARG 26 Ca 0.22 -1.15 -0.15 0.00 -1.72 0.00 0.00 55.73 52.92 2d99 s ARG 26 Cb -0.10 -2.61 -0.20 0.00 -0.45 0.00 0.00 34.95 31.60 2d99 s ARG 26 CO 0.43 -0.64 0.15 0.00 -0.68 0.00 0.00 175.30 174.57 2d99 n ALA 27 N -2.18 0.90 -2.68 2.13 0.00 -1.26 -4.88 120.51 112.54 2d99 n ALA 27 Ca 0.10 -0.63 -0.27 0.00 0.00 0.00 0.00 53.44 52.64 2d99 n ALA 27 Cb 0.60 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 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 -6.98 6.38 -0.48 0.00 0.01 -1.26 -5.04 113.70 106.33 2d99 s SER 28 Ca -0.29 0.49 -0.27 0.00 1.31 0.00 0.00 55.95 57.19 2d99 s SER 28 Cb 0.07 -2.05 0.03 0.00 0.21 0.00 0.00 66.02 64.29 2d99 s SER 28 CO 0.62 -0.15 1.06 -0.69 0.41 0.00 0.00 173.24 174.49 2d99 s VAL 29 N -2.04 4.30 0.30 3.43 1.01 -1.26 -4.94 120.40 121.20 2d99 s VAL 29 Ca 0.40 1.00 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 2d99 s VAL 29 Cb -0.10 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 2d99 s VAL 29 CO 0.31 -0.97 0.54 0.68 0.00 0.00 0.00 175.10 175.66 2d99 s VAL 30 N 4.21 5.06 0.97 2.92 -7.23 -1.26 -5.03 120.40 120.03 2d99 s VAL 30 Ca 0.43 -0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 60.35 2d99 s VAL 30 Cb -0.08 -3.77 0.17 0.00 0.56 0.00 0.00 36.38 33.26 2d99 s VAL 30 CO 0.29 -0.37 1.17 -2.16 -0.31 0.00 0.00 175.10 173.72 2d99 s PRO 31 N -3.73 0.66 -0.37 4.82 0.04 -1.26 -4.61 135.00 130.56 2d99 s PRO 31 Ca 0.42 0.10 -0.01 0.00 0.04 0.00 0.00 61.00 61.56 2d99 s PRO 31 Cb -0.10 -1.80 0.09 0.00 0.04 0.00 0.00 34.50 32.73 2d99 s PRO 31 CO 0.32 -2.49 0.12 -1.17 0.04 0.00 0.00 177.00 173.82 2d99 s LEU 32 N -6.16 4.81 -1.20 -3.56 2.96 -1.26 -4.95 118.68 109.32 2d99 s LEU 32 Ca 0.67 -1.87 -0.20 0.00 -0.22 0.00 0.00 54.13 52.51 2d99 s LEU 32 Cb -0.12 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 2d99 s LEU 32 CO 0.54 -0.44 1.90 -0.81 -1.32 0.00 0.00 176.35 176.22 2d99 n PRO 33 N 4.53 2.34 -0.02 0.98 -0.04 -1.26 -4.77 135.00 136.75 2d99 n PRO 33 Ca -0.04 -2.69 -0.09 0.00 -0.04 0.00 0.00 63.50 60.64 2d99 n PRO 33 Cb 0.42 -3.47 -0.03 0.00 -0.04 0.00 0.00 33.50 30.39 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 8.15 -0.65 -1.86 0.54 0.05 -1.96 0.14 116.97 121.38 2d99 h TYR 34 Ca 0.38 0.03 0.55 0.00 0.05 0.00 0.00 58.73 59.74 2d99 h TYR 34 Cb 0.83 0.31 -0.08 0.00 1.01 0.00 0.00 36.73 38.80 2d99 h TYR 34 CO 1.33 -0.32 1.33 -0.85 -1.05 0.00 0.00 178.16 178.60 2d99 n GLU 35 N -5.37 -0.00 -0.02 4.88 0.28 -1.26 0.21 120.64 119.35 2d99 n GLU 35 Ca -0.02 1.06 -0.01 0.00 -0.16 0.00 0.00 57.16 58.03 2d99 n GLU 35 Cb 0.29 -2.42 -0.00 0.00 1.43 0.00 0.00 31.44 30.73 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 -3.93 0.10 -0.49 3.44 1.74 0.20 -3.62 116.66 114.10 2d99 n ARG 36 Ca 0.43 0.21 0.40 0.00 -0.77 0.00 0.00 57.85 58.12 2d99 n ARG 36 Cb 1.92 -0.86 0.69 0.00 -1.02 0.00 0.00 32.46 33.19 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 -0.21 0.17 -0.07 0.55 3.38 0.08 1.50 115.31 120.72 2d99 h LEU 37 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2d99 h LEU 37 Cb 0.14 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2d99 h LEU 37 CO 0.00 -0.11 0.02 -0.07 0.09 0.00 0.00 178.44 178.37 2d99 h LEU 38 N 0.07 0.10 -0.42 1.67 3.38 0.22 -3.01 115.31 117.32 2d99 h LEU 38 Ca 0.81 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.63 2d99 h LEU 38 Cb 2.77 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 43.41 2d99 h LEU 38 CO -0.27 0.31 -0.10 -0.09 0.09 0.00 0.00 178.44 178.37 2d99 h ARG 39 N -0.11 0.00 -4.60 1.13 1.12 0.20 -3.33 114.38 108.79 2d99 h ARG 39 Ca 0.02 -0.00 -0.69 0.00 -1.11 0.00 0.00 59.98 58.20 2d99 h ARG 39 Cb 0.25 -0.00 -0.35 0.00 -0.01 0.00 0.00 29.97 29.86 2d99 h ARG 39 CO 0.00 0.00 -0.62 -1.83 -3.11 0.00 0.00 179.97 174.42 2d99 s GLU 40 N -6.22 2.08 0.28 0.20 -1.05 -0.77 -4.94 118.70 108.29 2d99 s GLU 40 Ca -0.14 -1.65 0.14 0.00 -0.15 0.00 0.00 54.97 53.17 2d99 s GLU 40 Cb 0.15 -3.42 0.32 0.00 -0.44 0.00 0.00 34.13 30.74 2d99 s GLU 40 CO 0.71 -0.91 1.57 -1.00 0.95 0.00 0.00 175.26 176.57 2d99 h PRO 41 N 7.98 0.00 0.00 -4.83 0.13 -1.68 -3.03 132.00 130.57 2d99 h PRO 41 Ca -0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 2d99 h PRO 41 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2d99 h PRO 41 CO 0.63 0.58 -0.31 0.78 -0.23 0.00 0.00 178.00 179.44 2d99 h GLY 42 N 2.43 0.00 1.00 1.56 0.00 -1.92 -2.70 103.07 103.44 2d99 h GLY 42 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2d99 h GLY 42 CO 0.08 0.00 0.18 -2.00 0.00 0.00 0.00 176.54 174.80 2d99 h LEU 43 N 0.00 0.86 -6.44 3.11 5.85 -1.86 -3.35 115.31 113.47 2d99 h LEU 43 Ca -0.00 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2d99 h LEU 43 Cb 0.66 -0.22 -0.24 0.00 0.37 0.00 0.00 40.66 41.22 2d99 h LEU 43 CO 0.04 0.84 -0.33 -0.22 -0.34 0.00 0.00 178.44 178.43 2d99 s LEU 44 N -9.65 -1.02 -0.16 2.25 2.96 -1.03 -1.83 118.68 110.19 2d99 s LEU 44 Ca -0.13 0.80 -0.08 0.00 -0.22 0.00 0.00 54.13 54.50 2d99 s LEU 44 Cb 0.13 1.75 -0.04 0.00 0.50 0.00 0.00 46.19 48.53 2d99 s LEU 44 CO 0.81 -0.26 0.13 0.00 -1.32 0.00 0.00 176.35 175.71 2d99 s ALA 45 N 2.74 3.78 -0.26 5.97 0.00 0.71 -4.70 121.76 130.00 2d99 s ALA 45 Ca 0.11 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 2d99 s ALA 45 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2d99 s ALA 45 CO -0.18 0.41 0.31 0.08 0.00 0.00 0.00 175.76 176.37 2d99 s VAL 46 N -0.38 5.23 0.37 0.00 1.01 -1.26 -0.37 120.40 124.99 2d99 s VAL 46 Ca 0.12 0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.62 2d99 s VAL 46 Cb -0.12 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 2d99 s VAL 46 CO 0.01 0.21 -0.05 -1.10 0.00 0.00 0.00 175.10 174.17 2d99 s GLN 47 N 1.79 1.86 -1.20 2.72 -1.52 0.16 -4.71 119.66 118.77 2d99 s GLN 47 Ca 0.13 -2.00 0.00 0.00 -1.95 0.00 0.00 55.36 51.54 2d99 s GLN 47 Cb -0.15 -1.66 0.00 0.00 -0.22 0.00 0.00 33.01 30.98 2d99 s GLN 47 CO 0.09 0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.61 2d99 n GLY 48 N -0.85 -0.20 3.82 3.09 0.00 -1.26 0.18 105.19 109.96 2d99 n GLY 48 Ca -0.05 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.01 2.59 -0.45 0.99 1.43 -1.26 0.78 118.68 118.76 2d99 s LEU 49 Ca 0.00 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 2d99 s LEU 49 Cb 0.00 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.37 2d99 s LEU 49 CO 0.00 -1.93 1.43 -2.16 0.23 0.00 0.00 176.35 173.92 2d99 s PRO 50 N -5.20 3.49 0.23 1.29 0.04 -1.26 -4.87 135.00 128.71 2d99 s PRO 50 Ca 0.61 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 2d99 s PRO 50 Cb -0.14 -4.06 -0.12 0.00 0.04 0.00 0.00 34.50 30.22 2d99 s PRO 50 CO 0.54 -1.68 0.23 0.39 0.04 0.00 0.00 177.00 176.52 2d99 n GLU 51 N 8.23 0.00 -2.47 4.56 1.02 -1.26 -3.16 120.64 127.56 2d99 n GLU 51 Ca 0.16 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 2d99 n GLU 51 Cb 0.48 -0.75 0.04 0.00 -0.02 0.00 0.00 31.44 31.19 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d99 n GLY 52 N 1.63 0.04 0.00 0.62 0.00 -1.26 -5.04 105.19 101.18 2d99 n GLY 52 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.34 0.00 -3.69 0.99 4.77 -1.19 -5.07 117.00 110.48 2d99 n LEU 53 Ca -0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.76 2d99 n LEU 53 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 2d99 n LEU 53 CO 0.27 0.00 0.22 0.00 -1.33 0.00 0.00 177.39 176.55 2d99 s ALA 54 N -1.00 -1.32 -0.26 -1.18 0.00 -1.26 -5.05 121.76 111.68 2d99 s ALA 54 Ca 0.00 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.14 2d99 s ALA 54 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 2d99 s ALA 54 CO 0.00 -0.26 2.24 0.34 0.00 0.00 0.00 175.76 178.08 2d99 n PHE 55 N 2.68 1.87 -3.62 0.00 7.35 -1.26 -4.88 117.46 119.59 2d99 n PHE 55 Ca -0.14 -0.06 -0.08 0.00 -0.76 0.00 0.00 57.45 56.42 2d99 n PHE 55 Cb 0.56 -2.70 -0.02 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 6.52 1.24 0.71 -4.13 1.70 -1.26 -5.05 118.95 118.68 2d99 s ARG 56 Ca 1.02 -0.58 -0.16 0.00 -0.47 0.00 0.00 55.73 55.54 2d99 s ARG 56 Cb -0.39 0.49 -0.13 0.00 -0.57 0.00 0.00 34.95 34.34 2d99 s ARG 56 CO 0.36 -0.56 -0.47 0.54 -1.08 0.00 0.00 175.30 174.10 2d99 n ARG 57 N -0.38 0.00 0.22 3.89 1.74 -1.26 -4.75 116.66 116.12 2d99 n ARG 57 Ca -0.09 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.10 2d99 n ARG 57 Cb 0.62 -0.90 0.37 0.00 -1.02 0.00 0.00 32.46 31.53 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 -0.52 0.00 0.00 5.56 0.13 -1.93 -2.94 132.00 132.31 2d99 h PRO 58 Ca -0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 2d99 h PRO 58 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2d99 h PRO 58 CO 0.28 0.14 -0.15 0.00 -0.23 0.00 0.00 178.00 178.04 2d99 h ALA 59 N 1.86 0.03 -1.01 -0.56 0.00 -1.90 -3.32 119.26 114.36 2d99 h ALA 59 Ca -0.00 -0.48 0.23 0.00 0.00 0.00 0.00 54.91 54.66 2d99 h ALA 59 Cb 0.86 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 2d99 h ALA 59 CO 0.02 0.09 0.62 0.93 0.00 0.00 0.00 179.25 180.92 2d99 h GLU 60 N -1.00 0.54 -6.52 0.00 4.39 -1.90 -3.42 114.58 106.67 2d99 h GLU 60 Ca -0.04 -0.03 -0.41 0.00 0.34 0.00 0.00 59.36 59.21 2d99 h GLU 60 Cb 0.83 -0.12 0.22 0.00 -0.10 0.00 0.00 28.75 29.58 2d99 h GLU 60 CO -0.02 0.36 -1.06 0.66 -1.16 0.00 0.00 179.01 177.79 2d99 n TYR 61 N -4.74 -1.61 -2.17 4.33 4.01 -1.11 -5.00 117.16 110.86 2d99 n TYR 61 Ca 0.25 0.13 -0.22 0.00 -0.16 0.00 0.00 57.90 57.89 2d99 n TYR 61 Cb 0.74 -1.51 0.14 0.00 -0.31 0.00 0.00 39.34 38.40 2d99 n TYR 61 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2d99 n ASP 62 N -1.35 0.62 0.05 7.72 8.00 -1.26 -4.95 116.55 125.38 2d99 n ASP 62 Ca 0.01 -1.69 -0.08 0.00 0.71 0.00 0.00 54.79 53.74 2d99 n ASP 62 Cb 0.59 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 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 -0.21 0.00 -0.24 0.13 -1.94 -2.93 132.00 126.81 2d99 h PRO 63 Ca -0.32 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2d99 h PRO 63 Cb 1.03 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2d99 h PRO 63 CO 0.28 0.14 -0.06 0.87 -0.23 0.00 0.00 178.00 179.01 2d99 h LYS 64 N -0.97 0.00 0.70 0.86 6.56 -1.99 -2.90 116.57 118.83 2d99 h LYS 64 Ca -0.02 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 2d99 h LYS 64 Cb 0.44 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.11 2d99 h LYS 64 CO 0.04 0.06 -0.34 0.00 -2.06 0.00 0.00 179.45 177.15 2d99 h ALA 65 N 1.94 -1.09 -0.87 3.86 0.00 -1.94 0.30 119.26 121.46 2d99 h ALA 65 Ca -0.00 -0.21 0.23 0.00 0.00 0.00 0.00 54.91 54.94 2d99 h ALA 65 Cb 0.28 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 18.29 2d99 h ALA 65 CO 0.01 -1.02 0.19 -0.07 0.00 0.00 0.00 179.25 178.36 2d99 h LEU 66 N -1.07 -0.09 -1.44 0.00 3.38 -1.32 1.72 115.31 116.49 2d99 h LEU 66 Ca -0.10 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2d99 h LEU 66 Cb 0.72 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2d99 h LEU 66 CO 0.16 -0.18 -0.08 0.24 0.09 0.00 0.00 178.44 178.67 2d99 h MET 67 N 0.17 0.27 0.00 1.13 2.86 -1.40 0.15 114.93 118.12 2d99 h MET 67 Ca 0.54 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 2d99 h MET 67 Cb 1.09 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2d99 h MET 67 CO -0.68 0.37 -0.18 0.00 1.06 0.00 0.00 176.91 177.47 2d99 h ALA 68 N 1.66 0.91 0.15 6.32 0.00 0.43 -2.45 119.26 126.28 2d99 h ALA 68 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2d99 h ALA 68 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2d99 h ALA 68 CO 0.02 0.00 -0.92 0.82 0.00 0.00 0.00 179.25 179.16 2d99 h ILE 69 N 0.00 1.45 0.00 0.00 2.04 0.21 0.32 117.51 121.53 2d99 h ILE 69 Ca 0.00 -2.54 -0.03 0.00 1.00 0.00 0.00 64.86 63.29 2d99 h ILE 69 Cb 0.99 3.15 -0.00 0.00 -0.74 0.00 0.00 36.82 40.22 2d99 h ILE 69 CO 0.00 0.72 -0.12 -0.07 0.00 0.00 0.00 178.15 178.68 2d99 h LEU 70 N -0.32 0.00 0.13 1.44 3.38 -0.81 1.54 115.31 120.66 2d99 h LEU 70 Ca -0.17 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.44 2d99 h LEU 70 Cb 1.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2d99 h LEU 70 CO 0.15 0.12 -1.97 -0.62 0.09 0.00 0.00 178.44 176.22 2d99 n GLU 71 N -3.28 0.76 0.00 1.13 1.02 -0.92 -4.00 120.64 115.34 2d99 n GLU 71 Ca 0.00 0.27 0.13 0.00 -0.02 0.00 0.00 57.16 57.54 2d99 n GLU 71 Cb 0.37 -1.72 0.37 0.00 -0.02 0.00 0.00 31.44 30.44 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 -3.51 0.00 -0.33 -0.32 8.25 0.11 -4.08 115.22 115.35 2d99 n HIS 72 Ca -0.32 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.28 2d99 n HIS 72 Cb 1.04 -0.33 0.28 0.00 1.12 0.00 0.00 29.99 32.10 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 0.01 -0.41 -1.46 0.41 4.64 0.21 1.76 113.55 118.70 2d99 h SER 73 Ca 0.00 0.26 0.42 0.00 -0.47 0.00 0.00 61.79 62.01 2d99 h SER 73 Cb 0.50 0.45 -0.06 0.00 -0.31 0.00 0.00 62.40 62.98 2d99 h SER 73 CO 0.00 -0.32 1.26 1.12 -0.87 0.00 0.00 176.83 178.02 2d99 h HIS 74 N 0.04 0.00 0.04 4.77 2.07 -1.82 0.88 115.15 121.13 2d99 h HIS 74 Ca 0.57 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.72 2d99 h HIS 74 Cb 1.17 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.10 2d99 h HIS 74 CO -0.46 0.00 -2.17 0.54 -3.07 0.00 0.00 177.93 172.77 2d99 n ARG 75 N -3.66 0.66 -1.53 5.12 1.74 0.59 -4.94 116.66 114.65 2d99 n ARG 75 Ca 0.33 0.27 -0.60 0.00 -0.77 0.00 0.00 57.85 57.08 2d99 n ARG 75 Cb 1.70 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.46 31.45 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 -3.67 0.00 -3.75 0.55 5.41 0.31 -4.28 119.36 113.92 2d99 n ILE 76 Ca -0.41 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.21 2d99 n ILE 76 Cb 0.95 -0.30 -0.13 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 1.80 0.18 0.35 0.38 0.52 0.48 -4.92 118.95 117.74 2d99 s ARG 77 Ca 0.92 0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 56.44 2d99 s ARG 77 Cb -1.31 -0.09 -0.07 0.00 0.52 0.00 0.00 34.95 34.01 2d99 s ARG 77 CO 0.67 -0.13 0.71 -0.06 0.02 0.00 0.00 175.30 176.51 2d99 s PHE 78 N 0.96 3.44 -0.10 -0.53 0.40 -1.26 0.38 117.98 121.27 2d99 s PHE 78 Ca -0.07 1.02 -0.02 0.00 -0.60 0.00 0.00 56.93 57.26 2d99 s PHE 78 Cb -0.09 -2.40 0.04 0.00 0.51 0.00 0.00 43.02 41.08 2d99 s PHE 78 CO -0.06 0.02 0.03 0.15 0.70 0.00 0.00 175.22 176.06 2d99 s LYS 79 N -3.49 0.37 0.28 0.44 -0.14 0.50 -4.88 119.74 112.82 2d99 s LYS 79 Ca 0.51 0.06 -0.08 0.00 -1.36 0.00 0.00 55.97 55.09 2d99 s LYS 79 Cb -0.10 -1.18 -0.06 0.00 -1.68 0.00 0.00 37.83 34.81 2d99 s LYS 79 CO 0.27 -0.42 0.60 -0.51 -0.76 0.00 0.00 175.35 174.52 2d99 s LEU 80 N 2.02 4.07 0.58 3.17 1.43 -1.26 -0.21 118.68 128.49 2d99 s LEU 80 Ca 0.04 0.90 0.29 0.00 -1.03 0.00 0.00 54.13 54.33 2d99 s LEU 80 Cb -0.14 -3.71 1.49 0.00 0.03 0.00 0.00 46.19 43.87 2d99 s LEU 80 CO -0.06 -0.17 1.92 0.07 0.23 0.00 0.00 176.35 178.34 2d99 h LYS 81 N 2.03 0.00 -6.14 1.70 2.10 -1.50 -3.39 116.57 111.37 2d99 h LYS 81 Ca -0.47 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.59 2d99 h LYS 81 Cb 1.18 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.46 2d99 h LYS 81 CO 0.67 0.00 -0.10 0.50 -2.00 0.00 0.00 179.45 178.52 2d99 s ARG 82 N -4.65 4.09 0.78 0.07 3.52 -1.26 -5.07 118.95 116.42 2d99 s ARG 82 Ca -0.04 0.60 -0.11 0.00 -0.13 0.00 0.00 55.73 56.04 2d99 s ARG 82 Cb 0.16 -3.23 0.06 0.00 -1.56 0.00 0.00 34.95 30.37 2d99 s ARG 82 CO 0.56 0.65 1.09 -1.25 -0.81 0.00 0.00 175.30 175.55 2d99 s PRO 83 N -1.07 2.24 -0.08 5.12 0.04 -1.26 -4.68 135.00 135.31 2d99 s PRO 83 Ca 0.27 0.69 -0.03 0.00 0.04 0.00 0.00 61.00 61.97 2d99 s PRO 83 Cb -0.18 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2d99 s PRO 83 CO 0.17 -1.53 0.10 0.45 0.04 0.00 0.00 177.00 176.23 2d99 n SER 84 N -3.38 -3.19 -4.79 6.66 2.88 -1.26 -5.03 113.62 105.51 2d99 n SER 84 Ca 0.07 0.14 -0.38 0.00 -1.33 0.00 0.00 58.87 57.36 2d99 n SER 84 Cb 0.56 -1.88 -0.06 0.00 -0.75 0.00 0.00 64.21 62.08 2d99 n SER 84 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d99 s SER 85 N -1.17 6.87 -0.23 -3.46 1.04 -1.26 -5.01 113.70 110.48 2d99 s SER 85 Ca 0.04 1.03 -0.29 0.00 0.48 0.00 0.00 55.95 57.22 2d99 s SER 85 Cb -0.01 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 2d99 s SER 85 CO 0.15 0.19 1.94 -0.83 0.98 0.00 0.00 173.24 175.68 2d99 s GLY 86 N -0.50 0.84 0.40 7.32 0.00 -1.26 -4.96 107.32 109.17 2d99 s GLY 86 Ca 0.27 0.61 -0.24 0.00 0.00 0.00 0.00 44.72 45.36 2d99 s GLY 86 CO 0.15 3.44 1.05 2.56 0.00 0.00 0.00 173.10 180.30 2d99 s PRO 87 N 5.60 4.14 0.08 2.90 0.04 -1.26 -4.42 135.00 142.08 2d99 s PRO 87 Ca 0.87 1.52 -0.36 0.00 0.04 0.00 0.00 61.00 63.07 2d99 s PRO 87 Cb -0.29 -2.52 -0.18 0.00 0.04 0.00 0.00 34.50 31.55 2d99 s PRO 87 CO 0.34 -0.17 1.58 1.03 0.04 0.00 0.00 177.00 179.82 2d99 h SER 88 N 2.45 -1.20 0.00 6.66 0.87 -1.94 -3.47 113.55 116.92 2d99 h SER 88 Ca -0.48 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2d99 h SER 88 Cb 1.22 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2d99 h SER 88 CO 0.62 -0.70 0.00 -0.24 -0.53 0.00 0.00 176.83 175.98 2d99 n SER 89 N -5.59 -2.44 0.00 6.23 2.88 -1.26 -5.24 113.62 108.20 2d99 n SER 89 Ca -0.14 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2d99 n SER 89 Cb 0.47 2.45 0.00 0.00 -0.75 0.00 0.00 64.21 66.38 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42